| 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 | R | 49.1 | Very low | 39.5 | Very low | 302 Ų | 302 | 164.4 Ų | 164.4 | 100% | 1.14 | 87% | 0.867 | S | S | * | * | 0 | 110.2 | 0 | -83.2 | -177.4 | -175.8 | -179.3 | 1.7 | 107.6 | |||||
| 2 | I | 35.3 | Very low | 39.7 | Very low | 164 Ų | 164 | 167 Ų | 167 | 84% | 0.841 | 87% | 0.866 | S | S | * | * | trans | 169.4 | 110.5 | 154.8 | -81.8 | 149.6 | 0 | 0 | 0 | 102.6 | ||||
| 3 | P | 40.7 | Very low | 39.9 | Very low | 122 Ų | 122 | 166.2 Ų | 166.2 | 79% | 0.792 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 140 | 176.2 | 10.9 | 5 | 0 | 0 | 0 | 110.8 | ||
| 4 | Q | 37.5 | Very low | 40.1 | Very low | 188 Ų | 188 | 165.1 Ų | 165.1 | 88% | 0.879 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 131.7 | 174.4 | -74.4 | 169.5 | -37.2 | 0 | 0 | 111.2 | ||
| 5 | C | 36.3 | Very low | 40.2 | Very low | 133 Ų | 133 | 163.8 Ų | 163.8 | 90% | 0.899 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 124.6 | 166.5 | -81.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 6 | V | 40 | Very low | 40.5 | Very low | 129 Ų | 129 | 163.4 Ų | 163.4 | 78% | 0.782 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 120.2 | 169 | 176.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 7 | C | 34.1 | Very low | 40.9 | Very low | 131 Ų | 131 | 161.3 Ų | 161.3 | 89% | 0.885 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 117.7 | 171.3 | -107.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 8 | V | 41.8 | Very low | 40.9 | Very low | 132 Ų | 132 | 160.7 Ų | 160.7 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -90 | 117.8 | 168.6 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | G10 | V8-G10 PolarHBondContact O-N 3.39Š|
| 9 | R | 40.2 | Very low | 41.2 | Very low | 245 Ų | 245 | 160.8 Ų | 160.8 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -75.7 | 110.1 | 168.5 | -90 | -179 | 170.6 | -178.1 | -2.9 | 108.6 | ||||
| 10 | G | 39.5 | Very low | 41.3 | Very low | 65 Ų | 65 | 158.2 Ų | 158.2 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | trans | -88.7 | 115.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110 | V8 F12 | V8-G10 PolarHBondContact O-N 3.39Å; G10-F12 PolarHBondContact O-N 3.4Å | ||
| 11 | E | 40.5 | Very low | 41.3 | Very low | 197 Ų | 197 | 161.2 Ų | 161.2 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -77.3 | 108.3 | 167.7 | -71.7 | -177.7 | 161.9 | 0 | 0 | 108.9 | L13 | E11-L13 PolarHBondContact O-N 3.5Š| ||
| 12 | F | 42 | Very low | 40.8 | Very low | 196 Ų | 196 | 154.7 Ų | 154.7 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -85 | 105.8 | 168.5 | -101.4 | -93.4 | 0 | 0 | 0 | 108.9 | G10 L14 | G10-F12 PolarHBondContact O-N 3.4Å; F12-L14 PolarHBondContact O-N 3.2Å | ||
| 13 | L | 42.2 | Very low | 40.9 | Very low | 156 Ų | 156 | 157.4 Ų | 157.4 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | -73.9 | 100.6 | 170.6 | -160.4 | 79.6 | 0 | 0 | 0 | 108.8 | E11 L15 | E11-L13 PolarHBondContact O-N 3.5Å; L13-L15 PolarHBondContact O-N 3.13Å; L13-L15 VanDerWaalsContact O-N 3.13Å | ||
| 14 | L | 41.7 | Very low | 40.9 | Very low | 152 Ų | 152 | 156.2 Ų | 156.2 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -71.6 | 99.5 | 171 | -103 | 119.3 | 0 | 0 | 0 | 109.5 | F12 L16 | F12-L14 PolarHBondContact O-N 3.2Å; L14-L16 PolarHBondContact O-N 3.09Å; L14-L16 VanDerWaalsContact O-N 3.09Å | ||
| 15 | L | 42 | Very low | 41.5 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -67.5 | 98.8 | 163.8 | -95.8 | 141.6 | 0 | 0 | 0 | 108.8 | L13 I17 | L13-L15 PolarHBondContact O-N 3.13Å; L13-L15 VanDerWaalsContact O-N 3.13Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 PolarHBondContact O-N 2.89Å | ||
| 16 | L | 44.7 | Very low | 43 | Very low | 157 Ų | 157 | 152 Ų | 152 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -68.3 | 91 | 166.5 | -77.3 | 164 | 0 | 0 | 0 | 108.7 | L14 N18 | L14-L16 PolarHBondContact O-N 3.09Å; L14-L16 VanDerWaalsContact O-N 3.09Å; L16-N18 PolarHBondContact O-N 3.01Å | ||
| 17 | I | 48.3 | Very low | 45.2 | Very low | 128 Ų | 128 | 154 Ų | 154 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | trans | -69.1 | 97.5 | 167.1 | -58.7 | 173.3 | 0 | 0 | 0 | 106.5 | L15 F19 | L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 PolarHBondContact O-N 2.89Å; I17-F19 VanDerWaalsContact C-N 3.26Å; I17-F19 HydrophobicContact CG2-CD2 3.91Å; I17-F19 HydrophobicContact CG2-CE2 3.91Å; I17-F19 PolarHBondContact O-N 2.98Å | ||
| 18 | N | 40.1 | Very low | 48.1 | Very low | 151 Ų | 151 | 150 Ų | 150 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | -63.1 | 91.4 | 164.7 | -100.7 | -42.6 | 0 | 0 | 0 | 107.6 | L16 P20 | L16-N18 PolarHBondContact O-N 3.01Å; N18-P20 VanDerWaalsContact O-CD 3.24Å; N18-P20 WeakPolarHBondContact O-CD 3.24Å | ||
| 19 | F | 46.9 | Very low | 50.8 | Low | 162 Ų | 162 | 144.2 Ų | 144.2 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | trans | -62.2 | 116.9 | 159 | -88.9 | -89.9 | 0 | 0 | 0 | 106.1 | I17 Y21 | I17-F19 VanDerWaalsContact C-N 3.26Å; I17-F19 HydrophobicContact CG2-CD2 3.91Å; I17-F19 HydrophobicContact CG2-CE2 3.91Å; I17-F19 PolarHBondContact O-N 2.98Å; F19-Y21 PolarHBondContact O-N 2.91Å | ||
| 20 | P | 42.3 | Very low | 53.6 | Low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 68% | 0.68 | S | S | * | * | trans | -58.4 | 113.8 | 166.8 | 24.5 | -29.3 | 0 | 0 | 0 | 105.4 | N18 L22 | N18-P20 VanDerWaalsContact O-CD 3.24Å; N18-P20 WeakPolarHBondContact O-CD 3.24Å; P20-L22 PolarHBondContact O-N 2.73Å | ||
| 21 | Y | 41.3 | Very low | 56.4 | Low | 221 Ų | 221 | 130.1 Ų | 130.1 | 87% | 0.867 | 65% | 0.648 | S | S | * | * | trans | -55.8 | 98.8 | 160.2 | -83.5 | -92.7 | 0 | 0 | 0 | 104.8 | F19 R23 | F19-Y21 PolarHBondContact O-N 2.91Å; Y21-R23 PolarHBondContact O-N 2.76Å | ||
| 22 | L | 39.1 | Very low | 59.2 | Low | 165 Ų | 165 | 120.7 Ų | 120.7 | 86% | 0.864 | 60% | 0.604 | S | S | * | * | trans | -58.2 | 89.8 | 159.1 | -85 | 152.8 | 0 | 0 | 0 | 104.1 | P20 S24 | P20-L22 PolarHBondContact O-N 2.73Å; L22-S24 PolarHBondContact O-N 2.76Å | ||
| 23 | R | 38.7 | Very low | 61.9 | Low | 221 Ų | 221 | 111.4 Ų | 111.4 | 83% | 0.834 | 56% | 0.563 | S | S | * | * | trans | -53.6 | 106.4 | 156.9 | -91.7 | -178 | 173.2 | 175.1 | -1.4 | 103.2 | Y21 T25 | Y21-R23 PolarHBondContact O-N 2.76Å; R23-T25 PolarHBondContact O-N 2.86Å | ||
| 24 | S | 40.7 | Very low | 64.6 | Low | 97 Ų | 97 | 104 Ų | 104 | 68% | 0.678 | 52% | 0.524 | S | S | * | . | trans | -49.3 | 99.6 | 154.6 | 167.6 | 0 | 0 | 0 | 0 | 104.7 | L22 V26 | L22-S24 PolarHBondContact O-N 2.76Å; S24-V26 PolarHBondContact O-N 2.84Å | ||
| 25 | T | 49.7 | Very low | 67.3 | Low | 108 Ų | 108 | 96.8 Ų | 96.8 | 66% | 0.663 | 49% | 0.486 | S | S | * | . | trans | -69.4 | 88.2 | 168.9 | 50.9 | 0 | 0 | 0 | 0 | 103.4 | R23 R27 | R23-T25 PolarHBondContact O-N 2.86Å; T25-R27 VanDerWaalsContact C-N 3.31Å; T25-R27 PolarHBondContact O-N 2.83Å | ||
| 26 | V | 67.9 | Low | 70 | Confident | 125 Ų | 125 | 89.9 Ų | 89.9 | 76% | 0.758 | 45% | 0.45 | S | S | * | . | trans | -56.3 | 103.9 | 173.5 | 179.3 | 0 | 0 | 0 | 0 | 105 | S24 | S24-V26 PolarHBondContact O-N 2.84Š| ||
| 27 | R | 86 | Confident | 72.6 | Confident | 170 Ų | 170 | 82.4 Ų | 82.4 | 64% | 0.642 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 135.8 | -178.3 | -64.1 | -175.1 | -170.5 | 175.9 | 4.8 | 106.8 | T25 | T25-R27 VanDerWaalsContact C-N 3.31Å; T25-R27 PolarHBondContact O-N 2.83Å |
| 28 | P | 95 | Very high | 75 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 31% | 0.312 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 143.2 | 171 | -25.6 | 34.1 | 0 | 0 | 0 | 110.5 | Y122 P215 N276 | P28-Y122 HydrophobicContact CB-CE2 3.98Å; P28-Y122 WeakPolarHBondContact CB-OH 3.47Å; P28-P215 HydrophobicContact CB-CB 4.29Å; P28-P215 HydrophobicContact CB-CG 4.31Å; P28-N276 PolarHBondContact O-ND2 3.33Å |
| 29 | P | 97.8 | Very high | 77.8 | Confident | 11 Ų | 11 | 69.2 Ų | 69.2 | 7% | 0.071 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -69 | 151.4 | -178 | 30.5 | -35.9 | 0 | 0 | 0 | 111.3 | Y122 N276 V278 L320 L344 | P29-Y122 WeakPolarHBondContact O-CE1 3.44Å; P29-Y122 VanDerWaalsContact O-CZ 3.31Å; P29-Y122 PolarHBondContact O-OH 3.05Å; P29-N276 CarbonylContact C-O 3.6Å; P29-N276 VanDerWaalsContact CA-O 3.25Å; P29-N276 WeakPolarHBondContact CA-O 3.48Å; P29-N276 WeakPolarHBondContact CB-O 3.35Å; P29-V278 HydrophobicContact CB-CG2 4.19Å; P29-V278 HydrophobicContact CG-CG2 4.39Å; P29-L320 HydrophobicContact CB-CD1 3.45Å; P29-L320 VanDerWaalsContact CB-CD1 3.45Å; P29-L320 HydrophobicContact CG-CD1 4.36Å; P29-L344 WeakPolarHBondContact CD-O 2.99Å; P29-L344 HydrophobicContact CG-CB 4.22Å; P29-L344 HydrophobicContact CG-CD2 4.5Å |
| 30 | H | 98.8 | Very high | 80.3 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 6% | 0.06 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 141.2 | 159.1 | -57 | -72.9 | 0 | 0 | 0 | 108.7 | H210 L216 N276 T277 V278 | H30-H210 AromaticContact CE1-NE2 3.91Å; H30-L216 CarbonylContact C-O 3.46Å; H30-L216 WeakPolarHBondContact CA-O 3.4Å; H30-L216 HydrophobicContact CB-CB 4.07Å; H30-L216 VanDerWaalsContact ND1-CB 3.27Å; H30-L216 WeakPolarHBondContact ND1-CB 3.45Å; H30-L216 PolarHBondContact ND1-N 3.35Å; H30-N276 PolarHBondContact N-O 3.19Å; H30-T277 HydrophobicContact CB-CG2 4.48Å; H30-T277 CarbonylContact O-C 3.38Å; H30-T277 WeakPolarHBondContact O-CA 3.4Å; H30-V278 PolarHBondContact O-N 2.96Å |
| 31 | I | 98.9 | Very high | 83 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.2 | -178.4 | -62.7 | 170.3 | 0 | 0 | 0 | 107.2 | L117 Y122 L216 F217 L218 V278 L341 | I31-L117 HydrophobicContact CD1-CD2 4.21Å; I31-Y122 HydrophobicContact CD1-CE1 3.79Å; I31-Y122 HydrophobicContact CG1-CE1 4.05Å; I31-L216 PolarHBondContact N-O 3.07Å; I31-F217 HydrophobicContact CB-CD2 4.01Å; I31-F217 HydrophobicContact CG2-CD2 3.74Å; I31-F217 HydrophobicContact CG2-CE2 4.01Å; I31-F217 WeakPolarHBondContact O-CA 3.25Å; I31-L218 PolarHBondContact O-N 2.99Å; I31-V278 WeakPolarHBondContact CA-O 3.46Å; I31-L341 HydrophobicContact CD1-CB 4.24Å; I31-L341 HydrophobicContact CD1-CD2 4.35Å; I31-L341 HydrophobicContact CG2-CD1 4.11Å; I31-L341 HydrophobicContact CG2-CD2 3.79Å; I31-L341 HydrophobicContact CG2-CG 4.42Å |
| 32 | V | 98.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 117.6 | 173.5 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | I34 L218 I264 L268 T277 V278 L279 V280 | V32-I34 HydrophobicContact CG1-CG1 4.12Å; V32-L218 CarbonylContact C-O 3.55Å; V32-L218 WeakPolarHBondContact CA-O 3.46Å; V32-L218 HydrophobicContact CG1-CB 4.5Å; V32-L218 HydrophobicContact CG1-CD2 4.45Å; V32-L218 HydrophobicContact CG2-CB 4.29Å; V32-I264 HydrophobicContact CG1-CG2 4.2Å; V32-L268 HydrophobicContact CG2-CD1 4.01Å; V32-L268 HydrophobicContact CG2-CD2 4.12Å; V32-T277 HydrophobicContact CG2-CG2 4.12Å; V32-V278 PolarHBondContact N-O 2.71Å; V32-L279 CarbonylContact O-C 3.58Å; V32-L279 WeakPolarHBondContact O-CA 3.37Å; V32-V280 PolarHBondContact O-N 3.15Å |
| 33 | F | 98.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 112.7 | 178 | -163.2 | -63.8 | 0 | 0 | 0 | 108.8 | L35 L82 F217 L218 Y219 V220 V280 W337 L341 | F33-L35 HydrophobicContact CD1-CB 4.32Å; F33-L35 HydrophobicContact CE1-CB 4.14Å; F33-L35 HydrophobicContact CE1-CD1 4.01Å; F33-L82 HydrophobicContact CD1-CD2 4.37Å; F33-L82 HydrophobicContact CD2-CD1 4.33Å; F33-L82 HydrophobicContact CE1-CD1 4.38Å; F33-L82 HydrophobicContact CE1-CD2 4Å; F33-L82 HydrophobicContact CE2-CD1 3.71Å; F33-L82 HydrophobicContact CZ-CD1 3.75Å; F33-L82 HydrophobicContact CZ-CD2 4.17Å; F33-F217 HydrophobicContact CB-CE2 4.49Å; F33-L218 PolarHBondContact N-O 2.97Å; F33-Y219 HydrophobicContact CB-CD2 4.24Å; F33-Y219 HydrophobicContact CD1-CD2 4.13Å; F33-Y219 HydrophobicContact CD1-CE2 4.14Å; F33-Y219 HydrophobicContact CG-CD2 4.47Å; F33-Y219 CarbonylContact O-C 3.48Å; F33-Y219 WeakPolarHBondContact O-CA 3.33Å; F33-V220 PolarHBondContact O-N 2.96Å; F33-V280 HydrophobicContact CD2-CB 3.79Å; F33-V280 HydrophobicContact CD2-CG1 3.9Å; F33-V280 HydrophobicContact CD2-CG2 4.31Å; F33-V280 HydrophobicContact CE2-CB 4Å; F33-V280 HydrophobicContact CE2-CG1 3.56Å; F33-V280 HydrophobicContact CG-CB 4.28Å; F33-V280 HydrophobicContact CZ-CG1 3.93Å; F33-W337 HydrophobicContact CE2-CB 4.17Å; F33-W337 AromaticContact CE2-CD1 3.62Å; F33-W337 AromaticContact CE2-CD2 3.81Å; F33-W337 HydrophobicContact CE2-CD2 3.81Å; F33-W337 AromaticContact CE2-CE2 3.98Å; F33-W337 HydrophobicContact CE2-CE3 4.49Å; F33-W337 AromaticContact CE2-CG 3.62Å; F33-W337 HydrophobicContact CE2-CG 3.62Å; F33-W337 AromaticContact CE2-NE1 3.84Å; F33-W337 AromaticContact CZ-CD1 3.79Å; F33-W337 HydrophobicContact CZ-CG 4.25Å; F33-W337 AromaticContact CZ-NE1 3.84Å; F33-L341 HydrophobicContact CD2-CD1 4.09Å |
| 34 | I | 99 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.6 | 175.9 | -52.8 | 177.5 | 0 | 0 | 0 | 108.5 | V32 V220 L222 V261 I264 L279 V280 F281 S282 | V32-I34 HydrophobicContact CG1-CG1 4.12Å; I34-V220 CarbonylContact C-O 3.5Å; I34-V220 WeakPolarHBondContact CA-O 3.21Å; I34-V220 HydrophobicContact CG1-CB 4.28Å; I34-V220 HydrophobicContact CG2-CB 4.5Å; I34-L222 HydrophobicContact CG2-CD1 4.23Å; I34-V261 HydrophobicContact CD1-CB 4.48Å; I34-V261 HydrophobicContact CD1-CG1 4.1Å; I34-V261 HydrophobicContact CD1-CG2 4.08Å; I34-V261 HydrophobicContact CG2-CG2 4.14Å; I34-I264 HydrophobicContact CD1-CD1 4.16Å; I34-I264 HydrophobicContact CD1-CG2 4.18Å; I34-L279 HydrophobicContact CD1-CD1 4.22Å; I34-V280 PolarHBondContact N-O 3.29Å; I34-F281 HydrophobicContact CB-CD2 4.08Å; I34-F281 HydrophobicContact CG2-CD2 3.97Å; I34-F281 HydrophobicContact CG2-CE2 4.18Å; I34-F281 WeakPolarHBondContact O-CA 3.28Å; I34-S282 PolarHBondContact O-N 2.7Å |
| 35 | L | 98.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 114.7 | 178.2 | -170.3 | 71.9 | 0 | 0 | 0 | 109.6 | F33 R79 L82 Y219 V220 L222 S282 T283 D284 | F33-L35 HydrophobicContact CD1-CB 4.32Å; F33-L35 HydrophobicContact CE1-CB 4.14Å; F33-L35 HydrophobicContact CE1-CD1 4.01Å; L35-R79 HydrophobicContact CD2-CG 4.02Å; L35-L82 HydrophobicContact CD2-CD2 4.22Å; L35-Y219 HydrophobicContact CB-CE2 3.86Å; L35-Y219 HydrophobicContact CD2-CE2 4.17Å; L35-Y219 WeakPolarHBondContact CD2-OH 3.32Å; L35-V220 PolarHBondContact N-O 3.07Å; L35-L222 PolarHBondContact O-N 2.65Å; L35-S282 CarbonylContact C-O 3.57Å; L35-S282 VanDerWaalsContact CA-O 3.31Å; L35-S282 WeakPolarHBondContact CA-O 3.41Å; L35-T283 WeakPolarHBondContact CD1-O 3.24Å; L35-D284 HydrophobicContact CD1-CB 3.99Å; L35-D284 HydrophobicContact CD2-CB 3.91Å; L35-D284 HydrophobicContact CG-CB 4Å |
| 36 | A | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 149.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | L39 M257 F281 S282 T283 D284 | A36-L39 HydrophobicContact CB-CB 4.02Å; A36-L39 HydrophobicContact CB-CD2 4.12Å; A36-M257 HydrophobicContact CB-SD 3.49Å; A36-M257 WeakPolarHBondContact CB-SD 3.4Å; A36-F281 HydrophobicContact CB-CE2 4.32Å; A36-F281 HydrophobicContact CB-CZ 3.9Å; A36-S282 PolarHBondContact N-O 3.04Å; A36-T283 CarbonylContact O-C 3.55Å; A36-T283 WeakPolarHBondContact O-CA 3.16Å; A36-T283 PolarHBondContact O-OG1 3.24Å; A36-D284 PolarHBondContact O-N 3.14Å |
| 37 | D | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -106 | 124.7 | -176.9 | -154.3 | -28.8 | 0 | 0 | 0 | 110.3 | L39 R79 K129 Q223 A224 V225 H226 D284 | D37-L39 VanDerWaalsContact C-N 3.31Å; D37-L39 PolarHBondContact O-N 3.27Å; D37-R79 IonicContact OD1-NH2 3.59Å; D37-R79 IonicContact OD2-NH2 3.48Å; D37-R79 PolarHBondContact OD2-NH2 3.16Å; D37-K129 IonicContact OD1-NZ 3.89Å; D37-K129 WeakPolarHBondContact OD2-CD 3.13Å; D37-K129 WeakPolarHBondContact OD2-CE 3.28Å; D37-K129 IonicContact OD2-NZ 2.74Å; D37-K129 PolarHBondContact OD2-NZ 3.32Å; D37-Q223 WeakPolarHBondContact CB-O 3.46Å; D37-A224 PolarHBondContact N-O 3.25Å; D37-A224 CarbonylContact O-C 3.59Å; D37-V225 CarbonylContact O-C 3.55Å; D37-V225 WeakPolarHBondContact O-CA 3.37Å; D37-V225 WeakPolarHBondContact O-CG2 3.29Å; D37-V225 PolarHBondContact O-N 3.13Å; D37-H226 HydrophobicContact CB-CB 3.9Å; D37-H226 PolarHBondContact O-N 3.48Å; D37-H226 IonicContact OD1-CD2 2.77Å; D37-H226 PolarHBondContact OD1-CD2 3.05Å; D37-H226 IonicContact OD1-CG 3.57Å; D37-D284 WeakPolarHBondContact CA-OD1 3.02Å |
| 38 | D | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.011 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 57.5 | 31.6 | -179.3 | -66.4 | 2.1 | 0 | 0 | 0 | 116.1 | G40 H226 Y250 D284 N285 K302 | D38-G40 PolarHBondContact O-N 3.24Å; D38-H226 VanDerWaalsContact CG-CD2 3.44Å; D38-H226 IonicContact OD1-CD2 2.78Å; D38-H226 IonicContact OD2-CD2 2.79Å; D38-H226 PolarHBondContact OD2-CD2 3.31Å; D38-H226 IonicContact OD2-CG 3.77Å; D38-H226 IonicContact OD2-NE2 3.62Å; D38-Y250 PolarHBondContact O-OH 3.42Å; D38-D284 PolarHBondContact N-OD1 3.04Å; D38-N285 PolarHBondContact OD1-ND2 3.44Å; D38-K302 VanDerWaalsContact OD1-CD 3.27Å; D38-K302 WeakPolarHBondContact OD1-CD 3.09Å; D38-K302 VanDerWaalsContact OD1-CE 3.23Å; D38-K302 WeakPolarHBondContact OD1-CE 3.32Å; D38-K302 IonicContact OD1-NZ 3.16Å; D38-K302 PolarHBondContact OD1-NZ 2.94Å; D38-K302 WeakPolarHBondContact OD2-CD 3.38Å; D38-K302 IonicContact OD2-NZ 2.67Å; D38-K302 PolarHBondContact OD2-NZ 3.32Å |
| 39 | L | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | trans | -81.6 | 111.1 | 176.6 | -177.3 | 70.2 | 0 | 0 | 0 | 110.3 | A36 D37 D43 V44 V225 V254 M257 F281 T283 V313 | A36-L39 HydrophobicContact CB-CB 4.02Å; A36-L39 HydrophobicContact CB-CD2 4.12Å; D37-L39 VanDerWaalsContact C-N 3.31Å; D37-L39 PolarHBondContact O-N 3.27Å; L39-D43 HydrophobicContact CD1-CB 3.79Å; L39-V44 HydrophobicContact CD1-CG1 4.44Å; L39-V44 HydrophobicContact CD2-CG1 3.96Å; L39-V44 HydrophobicContact CG-CG1 4.45Å; L39-V225 HydrophobicContact CB-CG2 4.36Å; L39-V225 HydrophobicContact CD1-CG2 4.21Å; L39-V254 HydrophobicContact CD1-CG1 4.28Å; L39-V254 HydrophobicContact CD1-CG2 4.05Å; L39-M257 HydrophobicContact CD1-CE 4.17Å; L39-M257 HydrophobicContact CD2-CE 3.99Å; L39-F281 HydrophobicContact CD2-CE1 3.75Å; L39-F281 HydrophobicContact CD2-CZ 3.7Å; L39-T283 PolarHBondContact N-OG1 3.17Å; L39-T283 PolarHBondContact O-OG1 3.09Å; L39-V313 HydrophobicContact CD2-CB 4.34Å; L39-V313 HydrophobicContact CD2-CG1 3.97Å | ||
| 40 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -74.9 | 159.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D38 Y42 D43 Y250 S294 N295 V313 | D38-G40 PolarHBondContact O-N 3.24Å; G40-Y42 PolarHBondContact O-N 2.67Å; G40-D43 WeakPolarHBondContact CA-OD2 3.42Å; G40-D43 PolarHBondContact N-OD2 2.97Å; G40-D43 WeakPolarHBondContact O-CB 3.41Å; G40-D43 PolarHBondContact O-N 3.17Å; G40-D43 VanDerWaalsContact O-N 3.09Å; G40-Y250 PolarHBondContact N-OH 3.33Å; G40-S294 CarbonylContact C-O 3.21Å; G40-S294 VanDerWaalsContact CA-O 3.26Å; G40-S294 WeakPolarHBondContact CA-O 3.44Å; G40-N295 WeakPolarHBondContact CA-OD1 3.4Å; G40-V313 WeakPolarHBondContact O-CG2 3.39Å | ||
| 41 | W | 98.8 | Very high | 98.2 | Very high | 20 Ų | 20 | 12 Ų | 12 | 8% | 0.076 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -36.9 | -179.6 | -172.4 | -96.4 | 0 | 0 | 0 | 112.9 | D43 H47 E67 S294 N295 L298 R311 A312 V313 | W41-D43 VanDerWaalsContact C-N 3.33Å; W41-D43 PolarHBondContact O-N 3.26Å; W41-H47 AromaticContact CD2-CE1 3.64Å; W41-H47 AromaticContact CD2-ND1 3.76Å; W41-H47 AromaticContact CE2-CE1 3.39Å; W41-H47 AromaticContact CE2-ND1 3.65Å; W41-H47 AromaticContact CE3-CE1 3.86Å; W41-H47 AromaticContact CG-ND1 3.99Å; W41-H47 AromaticContact CH2-CE1 3.61Å; W41-H47 AromaticContact CZ2-CE1 3.39Å; W41-H47 WeakPolarHBondContact CZ2-CE1 3.38Å; W41-H47 AromaticContact CZ2-NE2 3.7Å; W41-H47 AromaticContact CZ3-CE1 3.85Å; W41-H47 AromaticContact NE1-CE1 3.96Å; W41-H47 AromaticContact NE1-ND1 3.79Å; W41-H47 VanDerWaalsContact O-CB 3.26Å; W41-H47 WeakPolarHBondContact O-CB 3.25Å; W41-H47 PolarHBondContact O-ND1 3.43Å; W41-E67 WeakPolarHBondContact CH2-OE2 3.32Å; W41-E67 VanDerWaalsContact CZ2-OE2 3.25Å; W41-E67 WeakPolarHBondContact CZ2-OE2 3.46Å; W41-S294 PolarHBondContact N-O 3.44Å; W41-S294 VanDerWaalsContact N-O 3.12Å; W41-N295 HydrophobicContact CB-CB 4.34Å; W41-N295 PolarHBondContact N-OD1 3.08Å; W41-L298 HydrophobicContact CB-CD1 3.79Å; W41-L298 HydrophobicContact CB-CG 4.38Å; W41-L298 HydrophobicContact CD2-CD1 3.63Å; W41-L298 HydrophobicContact CD2-CG 4.43Å; W41-L298 HydrophobicContact CE3-CD1 4.03Å; W41-L298 HydrophobicContact CG-CD1 3.51Å; W41-L298 HydrophobicContact CG-CG 4.01Å; W41-R311 HydrophobicContact CE3-CG 4.22Å; W41-R311 HydrophobicContact CH2-CG 4.26Å; W41-R311 HydrophobicContact CZ3-CG 3.77Å; W41-A312 WeakPolarHBondContact CZ3-O 2.9Å; W41-V313 HydrophobicContact CE3-CG2 4.47Å |
| 42 | Y | 98.3 | Very high | 98.2 | Very high | 15 Ų | 15 | 19 Ų | 19 | 6% | 0.059 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 19.1 | -178.1 | -161.5 | -108.1 | 0 | 0 | 0 | 113.4 | G40 H47 S48 S49 E50 S294 W296 R449 | G40-Y42 PolarHBondContact O-N 2.67Å; Y42-H47 WeakPolarHBondContact CD2-O 3.32Å; Y42-H47 VanDerWaalsContact CE2-O 3.31Å; Y42-H47 WeakPolarHBondContact CE2-O 3.2Å; Y42-S48 VanDerWaalsContact CZ-O 3.32Å; Y42-S48 PolarHBondContact OH-O 2.99Å; Y42-S49 WeakPolarHBondContact O-CB 3.34Å; Y42-S49 PolarHBondContact O-OG 2.75Å; Y42-E50 WeakPolarHBondContact CE1-OE2 3.4Å; Y42-S294 WeakPolarHBondContact CB-O 3.18Å; Y42-S294 PolarHBondContact N-O 3.42Å; Y42-W296 VanDerWaalsContact CB-O 3.31Å; Y42-W296 WeakPolarHBondContact CB-O 3.43Å; Y42-W296 HydrophobicContact CD1-CB 4.48Å; Y42-W296 HydrophobicContact CD2-CB 4.39Å; Y42-W296 WeakPolarHBondContact CD2-O 3.47Å; Y42-W296 HydrophobicContact CG-CB 4.05Å; Y42-R449 HydrophobicContact CD1-CG 4.44Å; Y42-R449 HydrophobicContact CE1-CG 3.62Å; Y42-R449 PolarHBondContact OH-NE 2.7Å; Y42-R449 PolarHBondContact OH-NH2 2.55Å |
| 43 | D | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -108.1 | 8 | -171 | -60.7 | -27.7 | 0 | 0 | 0 | 113.7 | L39 G40 W41 I51 R247 Y250 G293 S294 | L39-D43 HydrophobicContact CD1-CB 3.79Å; G40-D43 WeakPolarHBondContact CA-OD2 3.42Å; G40-D43 PolarHBondContact N-OD2 2.97Å; G40-D43 WeakPolarHBondContact O-CB 3.41Å; G40-D43 PolarHBondContact O-N 3.17Å; G40-D43 VanDerWaalsContact O-N 3.09Å; W41-D43 VanDerWaalsContact C-N 3.33Å; W41-D43 PolarHBondContact O-N 3.26Å; D43-I51 HydrophobicContact CB-CD1 4.33Å; D43-R247 IonicContact OD1-CZ 3.38Å; D43-R247 IonicContact OD1-NH1 3.63Å; D43-R247 PolarHBondContact OD1-NH1 2.86Å; D43-R247 IonicContact OD1-NH2 2.69Å; D43-R247 PolarHBondContact OD1-NH2 2.5Å; D43-R247 IonicContact OD2-NH1 2.68Å; D43-Y250 HydrophobicContact CB-CE1 3.98Å; D43-Y250 WeakPolarHBondContact OD2-CE1 3.15Å; D43-Y250 PolarHBondContact OD2-OH 2.85Å; D43-G293 WeakPolarHBondContact OD2-CA 3.45Å; D43-S294 WeakPolarHBondContact OD1-CB 3.47Å; D43-S294 PolarHBondContact OD1-N 2.95Å; D43-S294 PolarHBondContact OD2-N 3.46Å |
| 44 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -122.2 | 145.3 | 176.2 | -65.7 | 0 | 0 | 0 | 0 | 111.5 | L39 Y46 H47 S49 L56 V313 | L39-V44 HydrophobicContact CD1-CG1 4.44Å; L39-V44 HydrophobicContact CD2-CG1 3.96Å; L39-V44 HydrophobicContact CG-CG1 4.45Å; V44-Y46 VanDerWaalsContact C-N 3.3Å; V44-Y46 HydrophobicContact CB-CD1 4.08Å; V44-Y46 HydrophobicContact CB-CE1 3.83Å; V44-Y46 HydrophobicContact CG1-CE1 4.28Å; V44-Y46 HydrophobicContact CG2-CD1 4.06Å; V44-Y46 HydrophobicContact CG2-CD2 3.99Å; V44-Y46 HydrophobicContact CG2-CE1 3.77Å; V44-Y46 HydrophobicContact CG2-CE2 3.7Å; V44-Y46 HydrophobicContact CG2-CG 4.18Å; V44-Y46 PolarHBondContact O-N 3.4Å; V44-H47 HydrophobicContact CG2-CB 3.91Å; V44-H47 CarbonylContact O-C 3.51Å; V44-H47 PolarHBondContact O-N 3.45Å; V44-S49 VanDerWaalsContact O-CB 3.22Å; V44-S49 WeakPolarHBondContact O-CB 3.43Å; V44-S49 PolarHBondContact O-N 3.1Å; V44-L56 HydrophobicContact CG1-CD1 3.99Å; V44-V313 HydrophobicContact CG1-CG1 3.88Å; V44-V313 HydrophobicContact CG2-CG1 4.11Å; V44-V313 HydrophobicContact CG2-CG2 4.41Å |
| 45 | G | 98.1 | Very high | 98.2 | Very high | 20 Ų | 20 | 25.2 Ų | 25.2 | 21% | 0.206 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -58.9 | -38.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H47 S48 T53 D57 | G45-H47 PolarHBondContact O-N 2.95Å; G45-S48 WeakPolarHBondContact O-CA 3.06Å; G45-S48 PolarHBondContact O-N 3.02Å; G45-T53 PolarHBondContact N-OG1 3.32Å; G45-D57 WeakPolarHBondContact CA-OD1 3.46Å; G45-D57 PolarHBondContact N-OD1 3.43Å |
| 46 | Y | 97.8 | Very high | 98.2 | Very high | 30 Ų | 30 | 25.2 Ų | 25.2 | 12% | 0.118 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -69.5 | -8.7 | 175.5 | 65 | -99.7 | 0 | 0 | 0 | 115.4 | V44 L56 D57 S60 V313 F315 | V44-Y46 VanDerWaalsContact C-N 3.3Å; V44-Y46 HydrophobicContact CB-CD1 4.08Å; V44-Y46 HydrophobicContact CB-CE1 3.83Å; V44-Y46 HydrophobicContact CG1-CE1 4.28Å; V44-Y46 HydrophobicContact CG2-CD1 4.06Å; V44-Y46 HydrophobicContact CG2-CD2 3.99Å; V44-Y46 HydrophobicContact CG2-CE1 3.77Å; V44-Y46 HydrophobicContact CG2-CE2 3.7Å; V44-Y46 HydrophobicContact CG2-CG 4.18Å; V44-Y46 PolarHBondContact O-N 3.4Å; Y46-L56 HydrophobicContact CE1-CB 4.37Å; Y46-D57 WeakPolarHBondContact CD1-OD1 3.45Å; Y46-D57 PolarHBondContact N-OD1 3.08Å; Y46-S60 WeakPolarHBondContact CD1-OG 3.25Å; Y46-V313 WeakPolarHBondContact OH-CG1 3.39Å; Y46-F315 HydrophobicContact CE1-CD1 4.38Å; Y46-F315 HydrophobicContact CE1-CE1 4.49Å |
| 47 | H | 98.2 | Very high | 98.2 | Very high | 24 Ų | 24 | 27.3 Ų | 27.3 | 11% | 0.111 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -103.4 | 23.4 | 164.4 | -68.2 | 168.9 | 0 | 0 | 0 | 112.3 | W41 Y42 V44 G45 S49 E67 | W41-H47 AromaticContact CD2-CE1 3.64Å; W41-H47 AromaticContact CD2-ND1 3.76Å; W41-H47 AromaticContact CE2-CE1 3.39Å; W41-H47 AromaticContact CE2-ND1 3.65Å; W41-H47 AromaticContact CE3-CE1 3.86Å; W41-H47 AromaticContact CG-ND1 3.99Å; W41-H47 AromaticContact CH2-CE1 3.61Å; W41-H47 AromaticContact CZ2-CE1 3.39Å; W41-H47 WeakPolarHBondContact CZ2-CE1 3.38Å; W41-H47 AromaticContact CZ2-NE2 3.7Å; W41-H47 AromaticContact CZ3-CE1 3.85Å; W41-H47 AromaticContact NE1-CE1 3.96Å; W41-H47 AromaticContact NE1-ND1 3.79Å; W41-H47 VanDerWaalsContact O-CB 3.26Å; W41-H47 WeakPolarHBondContact O-CB 3.25Å; W41-H47 PolarHBondContact O-ND1 3.43Å; Y42-H47 WeakPolarHBondContact CD2-O 3.32Å; Y42-H47 VanDerWaalsContact CE2-O 3.31Å; Y42-H47 WeakPolarHBondContact CE2-O 3.2Å; V44-H47 HydrophobicContact CG2-CB 3.91Å; V44-H47 CarbonylContact O-C 3.51Å; V44-H47 PolarHBondContact O-N 3.45Å; G45-H47 PolarHBondContact O-N 2.95Å; H47-S49 VanDerWaalsContact C-N 3.28Å; H47-S49 PolarHBondContact O-N 2.93Å; H47-E67 IonicContact NE2-OE1 2.67Å; H47-E67 PolarHBondContact NE2-OE1 3.44Å; H47-E67 IonicContact NE2-OE2 3.78Å |
| 48 | S | 95.6 | Very high | 98.2 | Very high | 88 Ų | 88 | 32.8 Ų | 32.8 | 62% | 0.615 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 26.1 | 176.1 | -52.4 | 0 | 0 | 0 | 0 | 114.6 | Y42 G45 | Y42-S48 VanDerWaalsContact CZ-O 3.32Å; Y42-S48 PolarHBondContact OH-O 2.99Å; G45-S48 WeakPolarHBondContact O-CA 3.06Å; G45-S48 PolarHBondContact O-N 3.02Å |
| 49 | S | 96.5 | Very high | 98.2 | Very high | 16 Ų | 16 | 33 Ų | 33 | 11% | 0.112 | 17% | 0.171 | C | C | . | . | trans | -61.6 | 152.1 | 173.2 | -163.8 | 0 | 0 | 0 | 0 | 112.2 | Y42 V44 H47 I51 | Y42-S49 WeakPolarHBondContact O-CB 3.34Å; Y42-S49 PolarHBondContact O-OG 2.75Å; V44-S49 VanDerWaalsContact O-CB 3.22Å; V44-S49 WeakPolarHBondContact O-CB 3.43Å; V44-S49 PolarHBondContact O-N 3.1Å; H47-S49 VanDerWaalsContact C-N 3.28Å; H47-S49 PolarHBondContact O-N 2.93Å; S49-I51 PolarHBondContact OG-N 3.49Å; S49-I51 VanDerWaalsContact OG-N 3.15Å | ||
| 50 | E | 95.6 | Very high | 98.2 | Very high | 34 Ų | 34 | 33 Ų | 33 | 16% | 0.159 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -70.9 | -16.4 | 163.5 | 69.7 | -77.1 | 177 | 0 | 0 | 113.3 | Y42 F241 I242 R247 | Y42-E50 WeakPolarHBondContact CE1-OE2 3.4Å; E50-F241 HydrophobicContact CB-CE2 4.17Å; E50-F241 HydrophobicContact CB-CZ 4.48Å; E50-F241 HydrophobicContact CG-CE2 4.47Å; E50-I242 HydrophobicContact CG-CD1 3.95Å; E50-I242 HydrophobicContact CG-CG1 4.48Å; E50-R247 IonicContact OE1-CZ 3.25Å; E50-R247 VanDerWaalsContact OE1-CZ 3.25Å; E50-R247 IonicContact OE1-NE 2.79Å; E50-R247 PolarHBondContact OE1-NE 3.25Å; E50-R247 IonicContact OE1-NH2 2.87Å; E50-R247 PolarHBondContact OE1-NH2 2.69Å |
| 51 | I | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -77.6 | 132 | 176.7 | -55.6 | 178.2 | 0 | 0 | 0 | 109.3 | D43 S49 T53 R247 Y250 A251 V254 | D43-I51 HydrophobicContact CB-CD1 4.33Å; S49-I51 PolarHBondContact OG-N 3.49Å; S49-I51 VanDerWaalsContact OG-N 3.15Å; I51-T53 HydrophobicContact CG2-CG2 4.41Å; I51-R247 VanDerWaalsContact CD1-CZ 3.48Å; I51-Y250 HydrophobicContact CD1-CD1 3.86Å; I51-Y250 HydrophobicContact CD1-CE1 4.07Å; I51-A251 HydrophobicContact CD1-CB 4.05Å; I51-A251 HydrophobicContact CG1-CB 3.77Å; I51-A251 HydrophobicContact CG2-CB 4.32Å; I51-V254 HydrophobicContact CD1-CG2 4.19Å; I51-V254 HydrophobicContact CG2-CB 3.72Å; I51-V254 HydrophobicContact CG2-CG1 3.53Å; I51-V254 HydrophobicContact CG2-CG2 4.45Å |
| 52 | R | 98.2 | Very high | 98.1 | Very high | 146 Ų | 146 | 40 Ų | 40 | 55% | 0.551 | 21% | 0.213 | S | C | * | . | trans | -89.7 | 116.3 | -177.4 | -55.4 | 176.4 | -175.6 | 172.9 | 3.4 | 109.7 | P54 Y239 | R52-P54 VanDerWaalsContact C-CD 3.42Å; R52-P54 WeakPolarHBondContact O-CD 3.48Å; R52-Y239 WeakPolarHBondContact CB-OH 3.2Å; R52-Y239 HydrophobicContact CG-CE1 4.22Å; R52-Y239 PolarHBondContact N-OH 2.83Å; R52-Y239 PolarHBondContact O-OH 2.94Å | ||
| 53 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -124.2 | 61.8 | 176.8 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | G45 I51 N55 L56 D57 V254 D258 | G45-T53 PolarHBondContact N-OG1 3.32Å; I51-T53 HydrophobicContact CG2-CG2 4.41Å; T53-N55 VanDerWaalsContact C-N 3.29Å; T53-N55 PolarHBondContact O-N 3.15Å; T53-L56 HydrophobicContact CG2-CD1 4.1Å; T53-L56 PolarHBondContact O-N 3.36Å; T53-D57 VanDerWaalsContact O-CB 3.31Å; T53-D57 WeakPolarHBondContact O-CB 3.33Å; T53-D57 PolarHBondContact O-N 2.86Å; T53-D57 PolarHBondContact OG1-OD1 2.65Å; T53-V254 HydrophobicContact CG2-CG1 3.51Å; T53-D258 VanDerWaalsContact C-CG 3.49Å; T53-D258 VanDerWaalsContact CA-OD1 3.22Å; T53-D258 WeakPolarHBondContact CA-OD1 3.32Å; T53-D258 WeakPolarHBondContact CB-OD1 2.78Å; T53-D258 HydrophobicContact CG2-CB 4.35Å | ||
| 54 | P | 98.8 | Very high | 98.2 | Very high | 81 Ų | 81 | 39.2 Ų | 39.2 | 53% | 0.526 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.2 | -32.8 | -171 | 24.5 | -35.4 | 0 | 0 | 0 | 114.2 | R52 K58 D258 | R52-P54 VanDerWaalsContact C-CD 3.42Å; R52-P54 WeakPolarHBondContact O-CD 3.48Å; P54-K58 VanDerWaalsContact O-CB 3.26Å; P54-K58 WeakPolarHBondContact O-CB 3.27Å; P54-K58 PolarHBondContact O-N 2.84Å; P54-D258 WeakPolarHBondContact CD-OD2 3.2Å; P54-D258 WeakPolarHBondContact CG-OD2 3.37Å |
| 55 | N | 98.9 | Very high | 98.2 | Very high | 50 Ų | 50 | 41.9 Ų | 41.9 | 27% | 0.267 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -74.5 | -43.9 | 178.7 | -64.5 | -72.5 | 0 | 0 | 0 | 111.5 | T53 K58 L59 D258 G262 | T53-N55 VanDerWaalsContact C-N 3.29Å; T53-N55 PolarHBondContact O-N 3.15Å; N55-K58 PolarHBondContact O-N 2.74Å; N55-L59 WeakPolarHBondContact O-CB 3.46Å; N55-L59 WeakPolarHBondContact O-CG 3.35Å; N55-L59 PolarHBondContact O-N 3.02Å; N55-D258 WeakPolarHBondContact CA-OD1 3.12Å; N55-D258 WeakPolarHBondContact CB-O 3.25Å; N55-D258 WeakPolarHBondContact CB-OD1 3.39Å; N55-D258 WeakPolarHBondContact CB-OD2 3.21Å; N55-D258 PolarHBondContact N-OD1 3.17Å; N55-D258 PolarHBondContact N-OD2 2.94Å; N55-D258 PolarHBondContact ND2-O 3.2Å; N55-D258 PolarHBondContact ND2-OD2 3.34Å; N55-G262 WeakPolarHBondContact OD1-CA 3.49Å |
| 56 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 173.3 | -61.9 | -177.7 | 0 | 0 | 0 | 111.6 | V44 Y46 T53 K58 L59 S60 M257 D258 V261 F281 F315 | V44-L56 HydrophobicContact CG1-CD1 3.99Å; Y46-L56 HydrophobicContact CE1-CB 4.37Å; T53-L56 HydrophobicContact CG2-CD1 4.1Å; T53-L56 PolarHBondContact O-N 3.36Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 2.63Å; L56-L59 PolarHBondContact O-N 3.04Å; L56-S60 WeakPolarHBondContact O-CB 3.35Å; L56-S60 PolarHBondContact O-N 3.24Å; L56-S60 PolarHBondContact O-OG 3.34Å; L56-M257 HydrophobicContact CD1-CE 3.78Å; L56-D258 WeakPolarHBondContact CG-OD1 3.26Å; L56-D258 PolarHBondContact N-OD1 3.22Å; L56-V261 HydrophobicContact CD2-CB 4.16Å; L56-V261 HydrophobicContact CD2-CG1 3.85Å; L56-V261 HydrophobicContact CD2-CG2 4.05Å; L56-F281 HydrophobicContact CD1-CE1 4.18Å; L56-F281 HydrophobicContact CD1-CE2 4.39Å; L56-F281 HydrophobicContact CD1-CZ 3.86Å; L56-F281 HydrophobicContact CD2-CD1 4.28Å; L56-F281 HydrophobicContact CD2-CD2 3.72Å; L56-F281 HydrophobicContact CD2-CE1 4.17Å; L56-F281 HydrophobicContact CD2-CE2 3.6Å; L56-F281 HydrophobicContact CD2-CG 4.07Å; L56-F281 HydrophobicContact CD2-CZ 3.83Å; L56-F315 HydrophobicContact CB-CE1 4.26Å; L56-F315 HydrophobicContact CD2-CE1 3.91Å; L56-F315 HydrophobicContact CD2-CZ 3.91Å |
| 57 | D | 98.9 | Very high | 98.2 | Very high | 44 Ų | 44 | 41 Ų | 41 | 24% | 0.235 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 178.9 | -67.8 | -10.4 | 0 | 0 | 0 | 110.4 | G45 Y46 T53 S60 A61 | G45-D57 WeakPolarHBondContact CA-OD1 3.46Å; G45-D57 PolarHBondContact N-OD1 3.43Å; Y46-D57 WeakPolarHBondContact CD1-OD1 3.45Å; Y46-D57 PolarHBondContact N-OD1 3.08Å; T53-D57 VanDerWaalsContact O-CB 3.31Å; T53-D57 WeakPolarHBondContact O-CB 3.33Å; T53-D57 PolarHBondContact O-N 2.86Å; T53-D57 PolarHBondContact OG1-OD1 2.65Å; D57-S60 PolarHBondContact O-OG 3.32Å; D57-A61 WeakPolarHBondContact O-CB 3.35Å; D57-A61 PolarHBondContact O-N 3.05Å |
| 58 | K | 98.8 | Very high | 98.3 | Very high | 116 Ų | 116 | 40.8 Ų | 40.8 | 50% | 0.504 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.1 | -50.9 | 176.4 | -178.5 | -177 | 175.8 | -173.3 | 0 | 112.2 | P54 N55 L56 A61 Q62 | P54-K58 VanDerWaalsContact O-CB 3.26Å; P54-K58 WeakPolarHBondContact O-CB 3.27Å; P54-K58 PolarHBondContact O-N 2.84Å; N55-K58 PolarHBondContact O-N 2.74Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 2.63Å; K58-A61 PolarHBondContact O-N 3.02Å; K58-Q62 WeakPolarHBondContact O-CG 3.5Å; K58-Q62 PolarHBondContact O-N 3.44Å |
| 59 | L | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | -178.5 | -72.8 | 169.9 | 0 | 0 | 0 | 111.4 | N55 L56 Q62 G63 V261 W274 F315 A317 | N55-L59 WeakPolarHBondContact O-CB 3.46Å; N55-L59 WeakPolarHBondContact O-CG 3.35Å; N55-L59 PolarHBondContact O-N 3.02Å; L56-L59 PolarHBondContact O-N 3.04Å; L59-Q62 PolarHBondContact O-N 3.31Å; L59-G63 PolarHBondContact O-N 2.84Å; L59-V261 HydrophobicContact CD1-CG1 3.58Å; L59-W274 HydrophobicContact CD2-CH2 3.9Å; L59-W274 HydrophobicContact CD2-CZ2 4.46Å; L59-F315 HydrophobicContact CB-CD2 4.5Å; L59-F315 HydrophobicContact CB-CE2 3.58Å; L59-F315 HydrophobicContact CB-CZ 3.78Å; L59-F315 HydrophobicContact CD1-CE2 4.46Å; L59-F315 HydrophobicContact CD1-CZ 4.38Å; L59-A317 HydrophobicContact CB-CB 4.29Å; L59-A317 HydrophobicContact CD2-CB 4.28Å |
| 60 | S | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -39 | 177.5 | 72.7 | 0 | 0 | 0 | 0 | 112.3 | Y46 L56 D57 Q62 G63 R65 | Y46-S60 WeakPolarHBondContact CD1-OG 3.25Å; L56-S60 WeakPolarHBondContact O-CB 3.35Å; L56-S60 PolarHBondContact O-N 3.24Å; L56-S60 PolarHBondContact O-OG 3.34Å; D57-S60 PolarHBondContact O-OG 3.32Å; S60-Q62 VanDerWaalsContact C-N 3.3Å; S60-Q62 PolarHBondContact O-N 3.29Å; S60-G63 PolarHBondContact O-N 2.94Å; S60-R65 PolarHBondContact OG-NE 2.7Å; S60-R65 VanDerWaalsContact OG-NE 3.09Å; S60-R65 PolarHBondContact OG-NH2 3Å; S60-R65 VanDerWaalsContact OG-NH2 3.17Å |
| 61 | A | 98.6 | Very high | 98.7 | Very high | 53 Ų | 53 | 34.2 Ų | 34.2 | 44% | 0.438 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -69.4 | -26.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D57 K58 G325 | D57-A61 WeakPolarHBondContact O-CB 3.35Å; D57-A61 PolarHBondContact O-N 3.05Å; K58-A61 PolarHBondContact O-N 3.02Å; A61-G325 WeakPolarHBondContact O-CA 3.11Å |
| 62 | Q | 98.1 | Very high | 98.7 | Very high | 112 Ų | 112 | 34.1 Ų | 34.1 | 52% | 0.523 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -91.5 | -11.2 | 175.4 | -66.4 | 177.3 | -6.2 | 0 | 0 | 112.7 | K58 L59 S60 P324 | K58-Q62 WeakPolarHBondContact O-CG 3.5Å; K58-Q62 PolarHBondContact O-N 3.44Å; L59-Q62 PolarHBondContact O-N 3.31Å; S60-Q62 VanDerWaalsContact C-N 3.3Å; S60-Q62 PolarHBondContact O-N 3.29Å; Q62-P324 WeakPolarHBondContact O-CB 3.42Å |
| 63 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -107.4 | -148.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L59 S60 V316 P324 G325 T326 | L59-G63 PolarHBondContact O-N 2.84Å; S60-G63 PolarHBondContact O-N 2.94Å; G63-V316 CarbonylContact C-O 3.44Å; G63-V316 WeakPolarHBondContact CA-O 3.33Å; G63-P324 CarbonylContact O-C 3.59Å; G63-G325 WeakPolarHBondContact O-CA 3.47Å; G63-G325 PolarHBondContact O-N 3.28Å; G63-T326 PolarHBondContact O-N 2.8Å |
| 64 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116 | 172 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | L66 F315 V316 L321 K323 T326 I364 | V64-L66 HydrophobicContact CG1-CD2 4.29Å; V64-F315 CarbonylContact O-C 3.59Å; V64-F315 VanDerWaalsContact O-CA 3.25Å; V64-F315 WeakPolarHBondContact O-CA 3.38Å; V64-F315 WeakPolarHBondContact O-CB 3.45Å; V64-V316 PolarHBondContact N-O 2.8Å; V64-V316 PolarHBondContact O-N 3.29Å; V64-L321 HydrophobicContact CG2-CD1 4.17Å; V64-L321 HydrophobicContact CG2-CD2 4.07Å; V64-K323 WeakPolarHBondContact CG2-O 3.44Å; V64-T326 WeakPolarHBondContact CA-O 3.19Å; V64-I364 HydrophobicContact CB-CG2 4.25Å; V64-I364 HydrophobicContact CG1-CG2 4.34Å |
| 65 | R | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 24.4 Ų | 24.4 | 21% | 0.211 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 139.4 | 173.2 | -70.2 | 179.2 | -175.2 | 156.2 | 3.9 | 110.5 | S60 T326 V327 S328 | S60-R65 PolarHBondContact OG-NE 2.7Å; S60-R65 VanDerWaalsContact OG-NE 3.09Å; S60-R65 PolarHBondContact OG-NH2 3Å; S60-R65 VanDerWaalsContact OG-NH2 3.17Å; R65-T326 PolarHBondContact N-O 3.39Å; R65-V327 HydrophobicContact CB-CG2 4.34Å; R65-S328 PolarHBondContact O-N 3.44Å |
| 66 | L | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 97.6 | -178.7 | -46.7 | 178.1 | 0 | 0 | 0 | 109.6 | V64 Y69 G314 V316 I332 W337 I364 | V64-L66 HydrophobicContact CG1-CD2 4.29Å; L66-Y69 HydrophobicContact CB-CD1 4.47Å; L66-Y69 HydrophobicContact CB-CG 4.13Å; L66-Y69 HydrophobicContact CD1-CD1 4.37Å; L66-Y69 HydrophobicContact CD1-CD2 4.36Å; L66-Y69 HydrophobicContact CD1-CG 4.12Å; L66-G314 PolarHBondContact N-O 3.46Å; L66-V316 HydrophobicContact CD1-CG2 4.49Å; L66-I332 HydrophobicContact CD2-CD1 4.03Å; L66-W337 HydrophobicContact CD1-CH2 3.99Å; L66-W337 HydrophobicContact CD1-CZ2 3.81Å; L66-I364 HydrophobicContact CD2-CG1 4.27Å |
| 67 | E | 98.4 | Very high | 98.6 | Very high | 28 Ų | 28 | 22.3 Ų | 22.3 | 13% | 0.131 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -10.1 | -174 | -68.1 | -66.7 | 153.4 | 0 | 0 | 113.6 | W41 H47 R311 V327 S328 R329 | W41-E67 WeakPolarHBondContact CH2-OE2 3.32Å; W41-E67 VanDerWaalsContact CZ2-OE2 3.25Å; W41-E67 WeakPolarHBondContact CZ2-OE2 3.46Å; H47-E67 IonicContact NE2-OE1 2.67Å; H47-E67 PolarHBondContact NE2-OE1 3.44Å; H47-E67 IonicContact NE2-OE2 3.78Å; E67-R311 VanDerWaalsContact O-CZ 3.25Å; E67-R311 PolarHBondContact O-NE 2.87Å; E67-R311 PolarHBondContact O-NH2 3.27Å; E67-V327 HydrophobicContact CB-CG1 4.07Å; E67-V327 HydrophobicContact CG-CG1 3.28Å; E67-S328 PolarHBondContact N-O 3.18Å; E67-R329 HydrophobicContact CB-CG 4.35Å |
| 68 | N | 98.4 | Very high | 98.6 | Very high | 20 Ų | 20 | 20.2 Ų | 20.2 | 11% | 0.107 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 46.3 | 174.8 | -163.8 | 18.2 | 0 | 0 | 0 | 109.8 | Y70 R329 L331 I332 R430 | N68-Y70 VanDerWaalsContact OD1-CE2 3.28Å; N68-Y70 WeakPolarHBondContact OD1-CE2 3.01Å; N68-R329 WeakPolarHBondContact CB-O 3.33Å; N68-R329 PolarHBondContact ND2-O 3.31Å; N68-L331 WeakPolarHBondContact O-CA 3.49Å; N68-I332 PolarHBondContact O-N 3.3Å; N68-R430 PolarHBondContact ND2-NH2 2.85Å; N68-R430 PolarHBondContact OD1-NH2 3.43Å; N68-R430 VanDerWaalsContact OD1-NH2 3.15Å |
| 69 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.3 | -175.6 | 170.4 | -120.5 | 0 | 0 | 0 | 111.5 | L66 V71 S282 A312 I332 W337 | L66-Y69 HydrophobicContact CB-CD1 4.47Å; L66-Y69 HydrophobicContact CB-CG 4.13Å; L66-Y69 HydrophobicContact CD1-CD1 4.37Å; L66-Y69 HydrophobicContact CD1-CD2 4.36Å; L66-Y69 HydrophobicContact CD1-CG 4.12Å; Y69-V71 HydrophobicContact CE1-CG1 3.88Å; Y69-S282 VanDerWaalsContact CE1-OG 3.25Å; Y69-S282 WeakPolarHBondContact CE1-OG 3.48Å; Y69-S282 PolarHBondContact OH-OG 3.14Å; Y69-A312 HydrophobicContact CD1-CB 3.59Å; Y69-A312 HydrophobicContact CE1-CB 3.6Å; Y69-A312 PolarHBondContact O-N 3.47Å; Y69-I332 CarbonylContact C-O 3.59Å; Y69-I332 WeakPolarHBondContact CA-O 3.45Å; Y69-I332 HydrophobicContact CD2-CB 4.08Å; Y69-I332 HydrophobicContact CD2-CG2 3.76Å; Y69-I332 HydrophobicContact CE2-CG2 4.21Å; Y69-W337 HydrophobicContact CE2-CZ2 4.26Å; Y69-W337 AromaticContact CE2-NE1 3.62Å; Y69-W337 AromaticContact CZ-NE1 3.61Å; Y69-W337 PolarHBondContact OH-NE1 2.79Å |
| 70 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 145.8 | -173.6 | -67.3 | -84.9 | 0 | 0 | 0 | 112.7 | N68 E307 V310 R311 L331 I332 H333 I334 L375 H377 R430 | N68-Y70 VanDerWaalsContact OD1-CE2 3.28Å; N68-Y70 WeakPolarHBondContact OD1-CE2 3.01Å; Y70-E307 VanDerWaalsContact CE1-OE1 3.3Å; Y70-E307 WeakPolarHBondContact CE1-OE1 3.25Å; Y70-E307 WeakPolarHBondContact CE1-OE2 3.48Å; Y70-E307 PolarHBondContact OH-OE2 3.41Å; Y70-V310 CarbonylContact C-O 3.6Å; Y70-V310 VanDerWaalsContact CA-O 3.29Å; Y70-V310 WeakPolarHBondContact CA-O 3.37Å; Y70-V310 HydrophobicContact CD1-CB 4.35Å; Y70-V310 HydrophobicContact CD1-CG2 3.96Å; Y70-V310 HydrophobicContact CE1-CG2 4.23Å; Y70-R311 HydrophobicContact CD1-CB 4.2Å; Y70-R311 HydrophobicContact CE1-CB 3.9Å; Y70-R311 HydrophobicContact CE1-CG 4.11Å; Y70-L331 HydrophobicContact CD2-CD1 3.64Å; Y70-L331 HydrophobicContact CE2-CD1 3.63Å; Y70-I332 PolarHBondContact N-O 2.67Å; Y70-H333 CarbonylContact O-C 3.57Å; Y70-H333 VanDerWaalsContact O-CA 3.29Å; Y70-H333 WeakPolarHBondContact O-CA 3.34Å; Y70-H333 PolarHBondContact O-CD2 3.06Å; Y70-I334 PolarHBondContact O-N 2.57Å; Y70-L375 HydrophobicContact CD2-CD2 3.91Å; Y70-L375 HydrophobicContact CG-CD2 3.74Å; Y70-H377 AromaticContact CD1-CE1 3.63Å; Y70-R430 PolarHBondContact OH-NE 3.4Å; Y70-R430 VanDerWaalsContact OH-NE 3.14Å |
| 71 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -128.6 | -171.5 | 171.4 | -57.2 | 0 | 0 | 0 | 0 | 107.7 | Y69 T283 D284 V310 A312 I334 | Y69-V71 HydrophobicContact CE1-CG1 3.88Å; V71-T283 WeakPolarHBondContact CG1-O 3.38Å; V71-D284 WeakPolarHBondContact CB-O 3.3Å; V71-D284 VanDerWaalsContact CG2-O 3.25Å; V71-D284 WeakPolarHBondContact CG2-O 3.38Å; V71-V310 PolarHBondContact N-O 2.86Å; V71-A312 HydrophobicContact CB-CB 4.15Å; V71-A312 HydrophobicContact CG1-CB 3.42Å; V71-A312 VanDerWaalsContact CG1-CB 3.42Å; V71-A312 HydrophobicContact CG2-CB 3.69Å; V71-I334 HydrophobicContact CB-CB 4.47Å; V71-I334 HydrophobicContact CB-CD1 4.44Å; V71-I334 HydrophobicContact CG1-CB 4.07Å; V71-I334 HydrophobicContact CG1-CD1 4.02Å; V71-I334 HydrophobicContact CG1-CG1 4.38Å | ||
| 72 | Q | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -95.5 | 160.9 | 178.1 | -60 | -73.8 | -46.3 | 0 | 0 | 110.2 | V74 P77 S78 Q81 N285 H333 H377 | Q72-V74 PolarHBondContact O-N 3.21Å; Q72-P77 HydrophobicContact CB-CB 3.75Å; Q72-P77 HydrophobicContact CG-CB 4.32Å; Q72-S78 WeakPolarHBondContact CA-OG 3.28Å; Q72-S78 WeakPolarHBondContact CB-OG 3.31Å; Q72-S78 PolarHBondContact N-OG 3.31Å; Q72-S78 PolarHBondContact O-OG 3.05Å; Q72-Q81 HydrophobicContact CG-CG 4.2Å; Q72-Q81 VanDerWaalsContact NE2-NE2 3.11Å; Q72-N285 WeakPolarHBondContact O-CB 3.45Å; Q72-H333 PolarHBondContact NE2-NE2 3.15Å; Q72-H333 VanDerWaalsContact NE2-NE2 3.12Å; Q72-H377 PolarHBondContact NE2-O 2.81Å; Q72-H377 PolarHBondContact OE1-O 2.77Å | ||
| 73 | P | 98.2 | Very high | 98.7 | Very high | 7 Ų | 7 | 6.5 Ų | 6.5 | 5% | 0.045 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -76 | -7 | -170.7 | 32.1 | -38.6 | 0 | 0 | 0 | 114.4 | K302 L303 S304 L305 G309 V310 | P73-K302 WeakPolarHBondContact O-CG 3.46Å; P73-L303 PolarHBondContact O-N 3.37Å; P73-S304 VanDerWaalsContact CB-O 3.26Å; P73-S304 WeakPolarHBondContact CB-O 3.21Å; P73-L305 HydrophobicContact CG-CD2 3.95Å; P73-G309 WeakPolarHBondContact CA-O 3.33Å; P73-V310 HydrophobicContact CB-CG1 4.07Å; P73-V310 HydrophobicContact CG-CG1 4.48Å |
| 74 | V | 96.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 6.6 Ų | 6.6 | 7% | 0.073 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -149.6 | 163.2 | 179.8 | -67 | 0 | 0 | 0 | 0 | 112.9 | Q72 P77 S78 I97 N285 K302 L303 | Q72-V74 PolarHBondContact O-N 3.21Å; V74-P77 HydrophobicContact CG2-CB 4.26Å; V74-P77 HydrophobicContact CG2-CG 3.51Å; V74-P77 WeakPolarHBondContact O-CD 3.29Å; V74-S78 PolarHBondContact O-N 3.2Å; V74-I97 HydrophobicContact CB-CG2 4.08Å; V74-I97 HydrophobicContact CG2-CG2 3.92Å; V74-N285 WeakPolarHBondContact CA-OD1 3.47Å; V74-K302 HydrophobicContact CG1-CG 4.25Å; V74-L303 HydrophobicContact CG1-CB 4.45Å; V74-L303 HydrophobicContact CG1-CD2 3.46Å; V74-L303 VanDerWaalsContact CG1-CD2 3.46Å; V74-L303 HydrophobicContact CG1-CG 3.9Å |
| 75 | C | 98 | Very high | 98.7 | Very high | 4 Ų | 4 | 6.6 Ų | 6.6 | 3% | 0.027 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -55.6 | -67.3 | -165.2 | -48.4 | 0 | 0 | 0 | 0 | 115.7 | S78 R79 K129 H131 D284 N285 | C75-S78 PolarHBondContact O-N 3.01Å; C75-S78 VanDerWaalsContact O-N 3.15Å; C75-R79 WeakPolarHBondContact O-CG 3.37Å; C75-R79 PolarHBondContact O-N 2.74Å; C75-K129 PolarHBondContact SG-NZ 2.05Å; C75-H131 WeakPolarHBondContact CB-ND1 3.32Å; C75-D284 WeakPolarHBondContact CA-OD2 3.35Å; C75-D284 WeakPolarHBondContact CB-OD2 3.31Å; C75-N285 PolarHBondContact N-OD1 2.99Å |
| 76 | T | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 4.9 Ų | 4.9 | 1% | 0.012 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -55.4 | -48 | -176.8 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | S78 R79 N80 M93 I98 H131 L132 | T76-S78 PolarHBondContact O-N 3.37Å; T76-R79 PolarHBondContact O-N 2.86Å; T76-N80 WeakPolarHBondContact O-CB 3.48Å; T76-N80 PolarHBondContact O-N 2.98Å; T76-M93 HydrophobicContact CG2-CE 3.34Å; T76-I98 HydrophobicContact CG2-CB 4.49Å; T76-I98 HydrophobicContact CG2-CD1 3.77Å; T76-I98 HydrophobicContact CG2-CG1 3.9Å; T76-I98 PolarHBondContact OG1-N 3.3Å; T76-H131 PolarHBondContact OG1-CD2 2.93Å; T76-H131 PolarHBondContact OG1-CE1 2.84Å; T76-H131 VanDerWaalsContact OG1-CE1 3.3Å; T76-H131 PolarHBondContact OG1-ND1 2.82Å; T76-H131 PolarHBondContact OG1-NE2 2.88Å; T76-H131 VanDerWaalsContact OG1-NE2 3.17Å; T76-H131 PolarHBondContact OG1-O 2.93Å; T76-L132 HydrophobicContact CG2-CD2 4.33Å |
| 77 | P | 98.7 | Very high | 98.7 | Very high | 3 Ų | 3 | 5.1 Ų | 5.1 | 2% | 0.019 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -47.5 | -53.2 | 171.4 | -37.7 | 44.2 | 0 | 0 | 0 | 113.9 | Q72 V74 N80 Q81 Q88 Q96 | Q72-P77 HydrophobicContact CB-CB 3.75Å; Q72-P77 HydrophobicContact CG-CB 4.32Å; V74-P77 HydrophobicContact CG2-CB 4.26Å; V74-P77 HydrophobicContact CG2-CG 3.51Å; V74-P77 WeakPolarHBondContact O-CD 3.29Å; P77-N80 PolarHBondContact O-N 2.81Å; P77-Q81 VanDerWaalsContact O-CG 3.22Å; P77-Q81 WeakPolarHBondContact O-CG 3.21Å; P77-Q81 PolarHBondContact O-N 2.83Å; P77-Q81 VanDerWaalsContact O-N 3.13Å; P77-Q88 HydrophobicContact CB-CG 4.08Å; P77-Q88 PolarHBondContact O-NE2 3.42Å; P77-Q96 WeakPolarHBondContact CD-O 3.15Å; P77-Q96 WeakPolarHBondContact CG-O 3.33Å |
| 78 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -64.3 | -46.4 | 179.8 | -83 | 0 | 0 | 0 | 0 | 113 | Q72 V74 C75 T76 N80 Q81 L82 D284 | Q72-S78 WeakPolarHBondContact CA-OG 3.28Å; Q72-S78 WeakPolarHBondContact CB-OG 3.31Å; Q72-S78 PolarHBondContact N-OG 3.31Å; Q72-S78 PolarHBondContact O-OG 3.05Å; V74-S78 PolarHBondContact O-N 3.2Å; C75-S78 PolarHBondContact O-N 3.01Å; C75-S78 VanDerWaalsContact O-N 3.15Å; T76-S78 PolarHBondContact O-N 3.37Å; S78-N80 VanDerWaalsContact C-N 3.28Å; S78-N80 PolarHBondContact O-N 3.22Å; S78-Q81 PolarHBondContact O-N 2.76Å; S78-L82 WeakPolarHBondContact O-CB 3.27Å; S78-L82 PolarHBondContact O-N 3.17Å; S78-D284 WeakPolarHBondContact CB-O 3.15Å; S78-D284 PolarHBondContact OG-O 3.47Å |
| 79 | R | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -64.9 | -36.2 | -178.4 | -66.3 | 164 | -167 | -97.3 | -1 | 111.1 | L35 D37 C75 T76 L82 M83 K129 L132 D284 | L35-R79 HydrophobicContact CD2-CG 4.02Å; D37-R79 IonicContact OD1-NH2 3.59Å; D37-R79 IonicContact OD2-NH2 3.48Å; D37-R79 PolarHBondContact OD2-NH2 3.16Å; C75-R79 WeakPolarHBondContact O-CG 3.37Å; C75-R79 PolarHBondContact O-N 2.74Å; T76-R79 PolarHBondContact O-N 2.86Å; R79-L82 PolarHBondContact O-N 3.01Å; R79-M83 WeakPolarHBondContact O-CB 3.48Å; R79-M83 VanDerWaalsContact O-CG 3.31Å; R79-M83 WeakPolarHBondContact O-CG 3.4Å; R79-M83 PolarHBondContact O-N 3.3Å; R79-K129 PolarHBondContact NH1-O 3.47Å; R79-L132 HydrophobicContact CB-CD1 4.32Å; R79-L132 HydrophobicContact CB-CD2 3.7Å; R79-L132 HydrophobicContact CB-CG 4.12Å; R79-D284 IonicContact CZ-OD2 2.6Å; R79-D284 IonicContact NE-OD2 3.45Å; R79-D284 PolarHBondContact NE-OD2 2.96Å; R79-D284 VanDerWaalsContact NE-OD2 3.13Å; R79-D284 IonicContact NH2-OD2 3.54Å; R79-D284 PolarHBondContact NH2-OD2 3.42Å |
| 80 | N | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -62.3 | -49.3 | 174.7 | 170.2 | 57.2 | 0 | 0 | 0 | 109.9 | T76 P77 S78 L82 M83 T84 T91 M93 V106 L132 | T76-N80 WeakPolarHBondContact O-CB 3.48Å; T76-N80 PolarHBondContact O-N 2.98Å; P77-N80 PolarHBondContact O-N 2.81Å; S78-N80 VanDerWaalsContact C-N 3.28Å; S78-N80 PolarHBondContact O-N 3.22Å; N80-L82 PolarHBondContact O-N 2.95Å; N80-M83 PolarHBondContact O-N 2.68Å; N80-T84 WeakPolarHBondContact O-CB 3.5Å; N80-T84 WeakPolarHBondContact O-CG2 3.44Å; N80-T84 PolarHBondContact O-N 3.26Å; N80-T84 PolarHBondContact O-OG1 2.67Å; N80-T84 WeakPolarHBondContact OD1-CG2 3.31Å; N80-T91 PolarHBondContact ND2-OG1 2.95Å; N80-M93 HydrophobicContact CB-SD 4.09Å; N80-V106 HydrophobicContact CB-CG2 4.24Å; N80-V106 WeakPolarHBondContact OD1-CG2 3.45Å; N80-L132 HydrophobicContact CB-CD2 4.02Å |
| 81 | Q | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -65.5 | -37.2 | 179.7 | -66.2 | -134.1 | 31.7 | 0 | 0 | 113.2 | Q72 P77 S78 G85 R86 H333 I334 | Q72-Q81 HydrophobicContact CG-CG 4.2Å; Q72-Q81 VanDerWaalsContact NE2-NE2 3.11Å; P77-Q81 VanDerWaalsContact O-CG 3.22Å; P77-Q81 WeakPolarHBondContact O-CG 3.21Å; P77-Q81 PolarHBondContact O-N 2.83Å; P77-Q81 VanDerWaalsContact O-N 3.13Å; S78-Q81 PolarHBondContact O-N 2.76Å; Q81-G85 VanDerWaalsContact O-CA 3.26Å; Q81-G85 WeakPolarHBondContact O-CA 3.45Å; Q81-G85 PolarHBondContact O-N 2.87Å; Q81-R86 VanDerWaalsContact CG-O 3.26Å; Q81-R86 WeakPolarHBondContact CG-O 3.38Å; Q81-R86 PolarHBondContact OE1-O 2.9Å; Q81-H333 PolarHBondContact OE1-CE1 3.29Å; Q81-I334 HydrophobicContact CB-CG2 3.73Å |
| 82 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 4.6 Ų | 4.6 | 1% | 0.005 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -59.5 | -47.4 | 173 | 175.5 | 58.3 | 0 | 0 | 0 | 111.3 | F33 L35 S78 R79 N80 Y219 I334 W337 | F33-L82 HydrophobicContact CD1-CD2 4.37Å; F33-L82 HydrophobicContact CD2-CD1 4.33Å; F33-L82 HydrophobicContact CE1-CD1 4.38Å; F33-L82 HydrophobicContact CE1-CD2 4Å; F33-L82 HydrophobicContact CE2-CD1 3.71Å; F33-L82 HydrophobicContact CZ-CD1 3.75Å; F33-L82 HydrophobicContact CZ-CD2 4.17Å; L35-L82 HydrophobicContact CD2-CD2 4.22Å; S78-L82 WeakPolarHBondContact O-CB 3.27Å; S78-L82 PolarHBondContact O-N 3.17Å; R79-L82 PolarHBondContact O-N 3.01Å; N80-L82 PolarHBondContact O-N 2.95Å; L82-Y219 HydrophobicContact CD2-CE2 3.83Å; L82-I334 HydrophobicContact CB-CD1 3.98Å; L82-I334 HydrophobicContact CB-CG1 3.98Å; L82-I334 HydrophobicContact CD1-CG1 4.23Å; L82-W337 HydrophobicContact CD1-CB 3.7Å; L82-W337 HydrophobicContact CD1-CG 4.07Å |
| 83 | M | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 4.9 Ų | 4.9 | 1% | 0.005 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -80.3 | -28.5 | -173.8 | -67.4 | -59.3 | 166.9 | 0 | 0 | 113.6 | R79 N80 L112 L113 L132 F146 Y219 L338 | R79-M83 WeakPolarHBondContact O-CB 3.48Å; R79-M83 VanDerWaalsContact O-CG 3.31Å; R79-M83 WeakPolarHBondContact O-CG 3.4Å; R79-M83 PolarHBondContact O-N 3.3Å; N80-M83 PolarHBondContact O-N 2.68Å; M83-L112 HydrophobicContact CB-CB 4.49Å; M83-L112 HydrophobicContact CB-CD1 4.28Å; M83-L112 HydrophobicContact CB-CD2 4.24Å; M83-L112 CarbonylContact O-C 3.56Å; M83-L112 VanDerWaalsContact O-CA 3.25Å; M83-L112 WeakPolarHBondContact O-CA 3.38Å; M83-L113 PolarHBondContact O-N 2.91Å; M83-L113 HydrophobicContact SD-CB 4.47Å; M83-L132 HydrophobicContact CB-CD1 4.05Å; M83-L132 HydrophobicContact CG-CD1 3.61Å; M83-F146 HydrophobicContact CE-CZ 4.2Å; M83-F146 HydrophobicContact SD-CZ 4.47Å; M83-Y219 HydrophobicContact CE-CD1 3.37Å; M83-Y219 HydrophobicContact CE-CD2 4.27Å; M83-Y219 HydrophobicContact CE-CE1 3.15Å; M83-Y219 HydrophobicContact CE-CE2 4.09Å; M83-Y219 HydrophobicContact CE-CG 3.94Å; M83-L338 WeakPolarHBondContact O-CD1 3.39Å |
| 84 | T | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.006 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -104.4 | -20 | -176 | 62.9 | 0 | 0 | 0 | 0 | 113.4 | N80 R86 V106 E110 L112 L338 L355 | N80-T84 WeakPolarHBondContact O-CB 3.5Å; N80-T84 WeakPolarHBondContact O-CG2 3.44Å; N80-T84 PolarHBondContact O-N 3.26Å; N80-T84 PolarHBondContact O-OG1 2.67Å; N80-T84 WeakPolarHBondContact OD1-CG2 3.31Å; T84-R86 WeakPolarHBondContact O-CG 3.2Å; T84-R86 PolarHBondContact O-N 3.18Å; T84-R86 PolarHBondContact OG1-N 3Å; T84-R86 PolarHBondContact OG1-O 3.24Å; T84-V106 HydrophobicContact CG2-CG1 3.71Å; T84-E110 HydrophobicContact CG2-CB 3.95Å; T84-E110 HydrophobicContact CG2-CG 4.09Å; T84-L112 HydrophobicContact CG2-CD2 3.68Å; T84-L338 WeakPolarHBondContact O-CD1 3.38Å; T84-L355 WeakPolarHBondContact O-CD2 3.39Å |
| 85 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.024 | C | C | . | . | S | Bend | trans | 64.6 | 19.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q81 S335 D356 G357 | Q81-G85 VanDerWaalsContact O-CA 3.26Å; Q81-G85 WeakPolarHBondContact O-CA 3.45Å; Q81-G85 PolarHBondContact O-N 2.87Å; G85-S335 WeakPolarHBondContact CA-O 3.4Å; G85-D356 PolarHBondContact O-N 3.39Å; G85-G357 PolarHBondContact O-N 3.3Å |
| 86 | R | 98.8 | Very high | 98.5 | Very high | 20 Ų | 20 | 6.4 Ų | 6.4 | 8% | 0.075 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -129.3 | 145.5 | -172.7 | -61.8 | 178 | 81.6 | -128.3 | -3.7 | 111.8 | Q81 T84 H90 E110 K353 P354 L355 D356 | Q81-R86 VanDerWaalsContact CG-O 3.26Å; Q81-R86 WeakPolarHBondContact CG-O 3.38Å; Q81-R86 PolarHBondContact OE1-O 2.9Å; T84-R86 WeakPolarHBondContact O-CG 3.2Å; T84-R86 PolarHBondContact O-N 3.18Å; T84-R86 PolarHBondContact OG1-N 3Å; T84-R86 PolarHBondContact OG1-O 3.24Å; R86-H90 PolarHBondContact NH1-O 2.92Å; R86-E110 VanDerWaalsContact CD-OE2 3.27Å; R86-E110 WeakPolarHBondContact CD-OE2 3.26Å; R86-E110 IonicContact CZ-OE1 2.63Å; R86-E110 IonicContact CZ-OE2 2.74Å; R86-E110 IonicContact NE-OE2 2.67Å; R86-E110 IonicContact NH1-OE1 2.86Å; R86-E110 PolarHBondContact NH1-OE1 3Å; R86-E110 IonicContact NH1-OE2 3.71Å; R86-E110 PolarHBondContact NH1-OE2 3.07Å; R86-K353 VanDerWaalsContact CZ-CB 3.48Å; R86-P354 WeakPolarHBondContact CD-O 3.45Å; R86-P354 WeakPolarHBondContact CG-O 3.44Å; R86-P354 PolarHBondContact NE-O 3.18Å; R86-L355 HydrophobicContact CG-CD2 4.17Å; R86-D356 VanDerWaalsContact CA-OD2 3.3Å; R86-D356 WeakPolarHBondContact CA-OD2 3.39Å |
| 87 | Y | 98.9 | Very high | 98.4 | Very high | 9 Ų | 9 | 7.6 Ų | 7.6 | 4% | 0.035 | 4% | 0.037 | C | C | . | . | trans | -65.3 | 154.9 | 176 | -64.8 | -40.8 | 0 | 0 | 0 | 111.7 | I89 H90 T91 H333 D356 R372 L375 L376 | Y87-I89 PolarHBondContact O-N 3.27Å; Y87-H90 WeakPolarHBondContact O-CA 3.42Å; Y87-H90 WeakPolarHBondContact O-CB 3.45Å; Y87-H90 PolarHBondContact O-N 3.11Å; Y87-T91 PolarHBondContact O-N 3.29Å; Y87-H333 AromaticContact CE1-ND1 3.97Å; Y87-D356 HydrophobicContact CD1-CB 4.15Å; Y87-D356 HydrophobicContact CD2-CB 3.52Å; Y87-D356 HydrophobicContact CE1-CB 4.18Å; Y87-D356 HydrophobicContact CE2-CB 3.57Å; Y87-D356 HydrophobicContact CG-CB 3.82Å; Y87-D356 PolarHBondContact N-OD2 3.32Å; Y87-R372 PolarHBondContact OH-NH1 3.12Å; Y87-L375 HydrophobicContact CE1-CD1 3.89Å; Y87-L375 WeakPolarHBondContact OH-CD1 3.28Å; Y87-L376 HydrophobicContact CD2-CB 4.25Å; Y87-L376 HydrophobicContact CD2-CD2 4.42Å; Y87-L376 HydrophobicContact CE2-CB 3.99Å | ||
| 88 | Q | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | G | 310 helix | trans | -67.2 | -26.2 | 179.2 | -52.4 | 85.7 | -6.5 | 0 | 0 | 112.7 | P77 H90 T91 G92 M93 Q94 | P77-Q88 HydrophobicContact CB-CG 4.08Å; P77-Q88 PolarHBondContact O-NE2 3.42Å; Q88-H90 PolarHBondContact O-N 3.2Å; Q88-H90 VanDerWaalsContact O-N 3.09Å; Q88-T91 PolarHBondContact O-N 2.65Å; Q88-T91 VanDerWaalsContact O-N 3.07Å; Q88-T91 PolarHBondContact O-OG1 3.37Å; Q88-G92 PolarHBondContact O-N 2.76Å; Q88-M93 VanDerWaalsContact CB-C 3.45Å; Q88-M93 HydrophobicContact CB-CB 4.16Å; Q88-M93 WeakPolarHBondContact CB-O 3.44Å; Q88-M93 HydrophobicContact CG-CB 4.38Å; Q88-M93 WeakPolarHBondContact CG-O 3.38Å; Q88-M93 PolarHBondContact O-N 2.92Å; Q88-M93 VanDerWaalsContact O-N 3.16Å; Q88-Q94 HydrophobicContact CB-CG 4.29Å |
| 89 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | G | 310 helix | trans | -57.3 | -22.6 | 170.8 | 61 | 156.2 | 0 | 0 | 0 | 111.8 | Y87 Q94 L376 I379 H501 A505 L506 | Y87-I89 PolarHBondContact O-N 3.27Å; I89-Q94 HydrophobicContact CB-CG 4.44Å; I89-Q94 HydrophobicContact CG2-CG 3.85Å; I89-L376 HydrophobicContact CD1-CD2 3.53Å; I89-L376 HydrophobicContact CG1-CD2 3.94Å; I89-L376 HydrophobicContact CG2-CD2 4.07Å; I89-I379 HydrophobicContact CG2-CB 4.28Å; I89-H501 HydrophobicContact CD1-CB 4.11Å; I89-A505 HydrophobicContact CB-CB 3.84Å; I89-A505 HydrophobicContact CG2-CB 4.24Å; I89-A505 CarbonylContact O-C 3.58Å; I89-A505 WeakPolarHBondContact O-CA 3.05Å; I89-L506 PolarHBondContact O-N 3.11Å |
| 90 | H | 98.8 | Very high | 98.4 | Very high | 28 Ų | 28 | 11.8 Ų | 11.8 | 13% | 0.13 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -102.6 | -0.7 | -178.8 | -68.3 | 156.5 | 0 | 0 | 0 | 114 | R86 Y87 Q88 D356 T504 L506 | R86-H90 PolarHBondContact NH1-O 2.92Å; Y87-H90 WeakPolarHBondContact O-CA 3.42Å; Y87-H90 WeakPolarHBondContact O-CB 3.45Å; Y87-H90 PolarHBondContact O-N 3.11Å; Q88-H90 PolarHBondContact O-N 3.2Å; Q88-H90 VanDerWaalsContact O-N 3.09Å; H90-D356 IonicContact CE1-OD1 3.56Å; H90-D356 PolarHBondContact CE1-OD1 3.18Å; H90-D356 IonicContact CE1-OD2 3.24Å; H90-D356 IonicContact CG-OD2 3.78Å; H90-D356 IonicContact ND1-OD1 2.8Å; H90-D356 PolarHBondContact ND1-OD1 3.17Å; H90-D356 IonicContact ND1-OD2 3.19Å; H90-D356 PolarHBondContact ND1-OD2 3.13Å; H90-T504 PolarHBondContact NE2-OG1 2.91Å; H90-L506 VanDerWaalsContact O-CD1 3.29Å; H90-L506 WeakPolarHBondContact O-CD1 3.18Å |
| 91 | T | 98.5 | Very high | 98.3 | Very high | 5 Ų | 5 | 11.8 Ų | 11.8 | 3% | 0.031 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -5.1 | 175 | 64.8 | 0 | 0 | 0 | 0 | 113.4 | N80 Y87 Q88 M93 P107 E110 | N80-T91 PolarHBondContact ND2-OG1 2.95Å; Y87-T91 PolarHBondContact O-N 3.29Å; Q88-T91 PolarHBondContact O-N 2.65Å; Q88-T91 VanDerWaalsContact O-N 3.07Å; Q88-T91 PolarHBondContact O-OG1 3.37Å; T91-M93 VanDerWaalsContact C-N 3.34Å; T91-M93 WeakPolarHBondContact OG1-CG 3.44Å; T91-P107 WeakPolarHBondContact O-CG 3.46Å; T91-E110 HydrophobicContact CG2-CG 4.35Å |
| 92 | G | 98.2 | Very high | 98.3 | Very high | 3 Ų | 3 | 12.1 Ų | 12.1 | 3% | 0.031 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 20.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q88 Q94 P507 N509 | Q88-G92 PolarHBondContact O-N 2.76Å; G92-Q94 VanDerWaalsContact CA-OE1 3.23Å; G92-Q94 PolarHBondContact O-OE1 3.46Å; G92-P507 WeakPolarHBondContact CA-O 3.27Å; G92-N509 PolarHBondContact O-N 3.21Å |
| 93 | M | 98.2 | Very high | 98.3 | Very high | 5 Ų | 5 | 13.8 Ų | 13.8 | 3% | 0.025 | 7% | 0.066 | C | C | . | . | trans | -111.8 | 30 | -172.2 | -56.2 | -178.2 | 77.6 | 0 | 0 | 112.8 | T76 N80 Q88 T91 H95 I98 Y104 V106 | T76-M93 HydrophobicContact CG2-CE 3.34Å; N80-M93 HydrophobicContact CB-SD 4.09Å; Q88-M93 VanDerWaalsContact CB-C 3.45Å; Q88-M93 HydrophobicContact CB-CB 4.16Å; Q88-M93 WeakPolarHBondContact CB-O 3.44Å; Q88-M93 HydrophobicContact CG-CB 4.38Å; Q88-M93 WeakPolarHBondContact CG-O 3.38Å; Q88-M93 PolarHBondContact O-N 2.92Å; Q88-M93 VanDerWaalsContact O-N 3.16Å; T91-M93 VanDerWaalsContact C-N 3.34Å; T91-M93 WeakPolarHBondContact OG1-CG 3.44Å; M93-H95 VanDerWaalsContact C-N 3.29Å; M93-H95 PolarHBondContact O-N 2.94Å; M93-I98 HydrophobicContact CE-CD1 3.52Å; M93-I98 HydrophobicContact CE-CG1 3.98Å; M93-Y104 HydrophobicContact CE-CE2 4.23Å; M93-V106 HydrophobicContact CE-CG2 4.12Å; M93-V106 HydrophobicContact SD-CB 4.42Å; M93-V106 HydrophobicContact SD-CG2 3.84Å | ||
| 94 | Q | 98.1 | Very high | 98.2 | Very high | 9 Ų | 9 | 14 Ų | 14 | 4% | 0.042 | 7% | 0.067 | C | C | . | . | trans | -68.5 | -30.2 | -173 | -54.1 | 90.7 | -42.3 | 0 | 0 | 112.6 | Q88 I89 G92 N378 I379 L506 I508 | Q88-Q94 HydrophobicContact CB-CG 4.29Å; I89-Q94 HydrophobicContact CB-CG 4.44Å; I89-Q94 HydrophobicContact CG2-CG 3.85Å; G92-Q94 VanDerWaalsContact CA-OE1 3.23Å; G92-Q94 PolarHBondContact O-OE1 3.46Å; Q94-N378 PolarHBondContact O-ND2 3.21Å; Q94-I379 WeakPolarHBondContact CB-O 3.29Å; Q94-L506 PolarHBondContact NE2-O 2.77Å; Q94-I508 HydrophobicContact CB-CG1 4.12Å; Q94-I508 HydrophobicContact CG-CG1 4.41Å | ||
| 95 | H | 97.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 14.5 Ų | 14.5 | 6% | 0.06 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -98.2 | 122.4 | -171.7 | -169.5 | 55.4 | 0 | 0 | 0 | 111.6 | M93 I97 D380 L382 I508 Y510 | M93-H95 VanDerWaalsContact C-N 3.29Å; M93-H95 PolarHBondContact O-N 2.94Å; H95-I97 PolarHBondContact O-N 3.09Å; H95-D380 IonicContact CE1-OD2 3.1Å; H95-D380 IonicContact CG-OD1 2.68Å; H95-D380 IonicContact CG-OD2 3.72Å; H95-D380 IonicContact ND1-OD1 3.32Å; H95-D380 PolarHBondContact ND1-OD1 3.42Å; H95-D380 IonicContact ND1-OD2 2.59Å; H95-D380 PolarHBondContact ND1-OD2 3.13Å; H95-L382 VanDerWaalsContact CE1-C 3.42Å; H95-L382 PolarHBondContact CE1-O 3.03Å; H95-L382 WeakPolarHBondContact ND1-CB 3.18Å; H95-I508 HydrophobicContact CB-CD1 4.31Å; H95-I508 HydrophobicContact CB-CG2 3.67Å; H95-Y510 HydrophobicContact CB-CD2 4.49Å; H95-Y510 AromaticContact CD2-CD1 3.75Å; H95-Y510 AromaticContact CD2-CD2 3.81Å; H95-Y510 AromaticContact CD2-CE1 3.88Å; H95-Y510 AromaticContact CD2-CE2 3.95Å; H95-Y510 AromaticContact CD2-CG 3.7Å; H95-Y510 AromaticContact CD2-CZ 3.97Å |
| 96 | Q | 95.6 | Very high | 98.1 | Very high | 34 Ų | 34 | 14.5 Ų | 14.5 | 16% | 0.159 | 7% | 0.07 | C | C | . | . | S | Bend | trans | 49.4 | -131.2 | 175.5 | -57.3 | -176.4 | 33.8 | 0 | 0 | 114.5 | P77 L386 Y510 | P77-Q96 WeakPolarHBondContact CD-O 3.15Å; P77-Q96 WeakPolarHBondContact CG-O 3.33Å; Q96-L386 HydrophobicContact CG-CD1 4.25Å; Q96-Y510 HydrophobicContact CB-CE2 3.94Å; Q96-Y510 VanDerWaalsContact CD-OH 3.25Å; Q96-Y510 HydrophobicContact CG-CE2 4.48Å; Q96-Y510 PolarHBondContact NE2-OH 2.69Å; Q96-Y510 PolarHBondContact OE1-OH 3.39Å |
| 97 | I | 97.4 | Very high | 98.1 | Very high | 27 Ų | 27 | 15.2 Ų | 15.2 | 14% | 0.138 | 8% | 0.077 | C | C | . | . | trans | -135 | 173.2 | -175.7 | 59.5 | 166 | 0 | 0 | 0 | 109.8 | V74 H95 W99 Q102 Y104 | V74-I97 HydrophobicContact CB-CG2 4.08Å; V74-I97 HydrophobicContact CG2-CG2 3.92Å; H95-I97 PolarHBondContact O-N 3.09Å; I97-W99 HydrophobicContact CD1-CD2 4.13Å; I97-W99 HydrophobicContact CD1-CE3 4.05Å; I97-W99 HydrophobicContact CD1-CH2 4Å; I97-W99 HydrophobicContact CD1-CZ2 4.07Å; I97-W99 HydrophobicContact CD1-CZ3 3.98Å; I97-W99 HydrophobicContact CG1-CD2 4.1Å; I97-W99 HydrophobicContact CG1-CH2 4.46Å; I97-W99 HydrophobicContact CG1-CZ2 4.02Å; I97-W99 PolarHBondContact O-N 3.39Å; I97-Q102 PolarHBondContact O-OE1 3.2Å; I97-Y104 VanDerWaalsContact C-OH 3.27Å; I97-Y104 PolarHBondContact O-OH 3.14Å | ||
| 98 | I | 98.4 | Very high | 98.1 | Very high | 12 Ų | 12 | 18.9 Ų | 18.9 | 6% | 0.062 | 10% | 0.097 | C | C | . | . | trans | -79.1 | 115.7 | 165.6 | -63.5 | 157.1 | 0 | 0 | 0 | 108.6 | T76 M93 Y104 H131 L132 | T76-I98 HydrophobicContact CG2-CB 4.49Å; T76-I98 HydrophobicContact CG2-CD1 3.77Å; T76-I98 HydrophobicContact CG2-CG1 3.9Å; T76-I98 PolarHBondContact OG1-N 3.3Å; M93-I98 HydrophobicContact CE-CD1 3.52Å; M93-I98 HydrophobicContact CE-CG1 3.98Å; I98-Y104 WeakPolarHBondContact CA-OH 3.46Å; I98-Y104 HydrophobicContact CB-CE1 4.02Å; I98-Y104 HydrophobicContact CD1-CE2 4.39Å; I98-Y104 HydrophobicContact CG1-CD1 4.21Å; I98-Y104 HydrophobicContact CG1-CD2 4.19Å; I98-Y104 HydrophobicContact CG1-CE1 3.6Å; I98-Y104 HydrophobicContact CG1-CE2 3.58Å; I98-Y104 HydrophobicContact CG1-CG 4.49Å; I98-Y104 WeakPolarHBondContact CG1-OH 3.49Å; I98-Y104 HydrophobicContact CG2-CD1 4.33Å; I98-Y104 HydrophobicContact CG2-CE1 3.96Å; I98-Y104 PolarHBondContact N-OH 2.88Å; I98-H131 PolarHBondContact O-CD2 2.8Å; I98-H131 PolarHBondContact O-NE2 2.83Å; I98-L132 VanDerWaalsContact CD1-C 3.44Å | ||
| 99 | W | 98 | Very high | 98.1 | Very high | 70 Ų | 70 | 23.7 Ų | 23.7 | 27% | 0.265 | 12% | 0.123 | S | C | . | . | trans | -82.5 | 154.8 | 171 | -62.7 | 104.6 | 0 | 0 | 0 | 111.5 | I97 C101 Q102 Y166 L386 Y510 | I97-W99 HydrophobicContact CD1-CD2 4.13Å; I97-W99 HydrophobicContact CD1-CE3 4.05Å; I97-W99 HydrophobicContact CD1-CH2 4Å; I97-W99 HydrophobicContact CD1-CZ2 4.07Å; I97-W99 HydrophobicContact CD1-CZ3 3.98Å; I97-W99 HydrophobicContact CG1-CD2 4.1Å; I97-W99 HydrophobicContact CG1-CH2 4.46Å; I97-W99 HydrophobicContact CG1-CZ2 4.02Å; I97-W99 PolarHBondContact O-N 3.39Å; W99-C101 VanDerWaalsContact C-N 3.27Å; W99-C101 PolarHBondContact O-N 3.31Å; W99-C101 VanDerWaalsContact O-N 3.1Å; W99-Q102 HydrophobicContact CB-CG 4.01Å; W99-Q102 VanDerWaalsContact CD1-OE1 3.23Å; W99-Q102 PolarHBondContact O-N 2.97Å; W99-Q102 VanDerWaalsContact O-N 3.12Å; W99-Y166 HydrophobicContact CB-CE2 4.23Å; W99-Y166 HydrophobicContact CE3-CE2 4.08Å; W99-L386 HydrophobicContact CZ2-CD1 4.36Å; W99-Y510 AromaticContact CD1-CZ 3.93Å; W99-Y510 AromaticContact NE1-CZ 3.96Å; W99-Y510 PolarHBondContact NE1-OH 3.2Å | ||
| 100 | P | 98.3 | Very high | 98.1 | Very high | 9 Ų | 9 | 24 Ų | 24 | 6% | 0.058 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -37.7 | -172.1 | -31.8 | 36.7 | 0 | 0 | 0 | 116.1 | M134 T154 Y166 W525 W528 | P100-M134 WeakPolarHBondContact O-CE 3.5Å; P100-T154 HydrophobicContact CB-CG2 4.22Å; P100-T154 HydrophobicContact CG-CG2 4.22Å; P100-Y166 HydrophobicContact CB-CD1 4.06Å; P100-Y166 HydrophobicContact CB-CD2 4.26Å; P100-Y166 HydrophobicContact CB-CG 3.92Å; P100-Y166 HydrophobicContact CG-CD1 4.34Å; P100-Y166 HydrophobicContact CG-CD2 3.64Å; P100-Y166 HydrophobicContact CG-CE2 4.13Å; P100-Y166 HydrophobicContact CG-CG 3.75Å; P100-W525 HydrophobicContact CB-CE3 4.42Å; P100-W525 HydrophobicContact CB-CH2 4.46Å; P100-W525 HydrophobicContact CB-CZ3 4.29Å; P100-W528 WeakPolarHBondContact O-CH2 3.39Å |
| 101 | C | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 4 | -175.2 | -71.2 | 0 | 0 | 0 | 0 | 114.6 | W99 Y166 D513 D514 C517 | W99-C101 VanDerWaalsContact C-N 3.27Å; W99-C101 PolarHBondContact O-N 3.31Å; W99-C101 VanDerWaalsContact O-N 3.1Å; C101-Y166 HydrophobicContact CB-CD1 4.27Å; C101-Y166 HydrophobicContact CB-CE1 3.76Å; C101-D513 HydrophobicContact CB-CB 3.76Å; C101-D513 WeakPolarHBondContact CB-OD1 3.49Å; C101-D514 PolarHBondContact O-N 3.38Å; C101-C517 HydrophobicContact CB-CB 3.59Å; C101-C517 WeakPolarHBondContact CB-SG 3.33Å; C101-C517 WeakPolarHBondContact SG-CB 3.49Å; C101-C517 CovalentContact SG-SG 2.03Å; C101-C517 PolarHBondContact SG-SG 3.41Å |
| 102 | Q | 98.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 3% | 0.033 | 12% | 0.124 | C | C | . | . | trans | -80.4 | 127.1 | 179.9 | -68.4 | -177.5 | -57.2 | 0 | 0 | 110.8 | I97 W99 Y104 Y510 P511 | I97-Q102 PolarHBondContact O-OE1 3.2Å; W99-Q102 HydrophobicContact CB-CG 4.01Å; W99-Q102 VanDerWaalsContact CD1-OE1 3.23Å; W99-Q102 PolarHBondContact O-N 2.97Å; W99-Q102 VanDerWaalsContact O-N 3.12Å; Q102-Y104 HydrophobicContact CB-CD1 3.61Å; Q102-Y104 HydrophobicContact CB-CE1 3.58Å; Q102-Y104 HydrophobicContact CG-CE1 4.3Å; Q102-Y104 PolarHBondContact O-N 3.34Å; Q102-Y510 VanDerWaalsContact NE2-CE2 3.32Å; Q102-P511 HydrophobicContact CB-CG 4.33Å; Q102-P511 WeakPolarHBondContact CG-O 3.34Å; Q102-P511 PolarHBondContact NE2-O 3.23Å | ||
| 103 | P | 97.9 | Very high | 98.1 | Very high | 35 Ų | 35 | 24 Ų | 24 | 23% | 0.227 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -81.7 | 53.2 | -174.9 | 34.7 | -38.7 | 0 | 0 | 0 | 112.7 | Y135 P511 D512 D514 W528 | P103-Y135 HydrophobicContact CB-CD2 3.66Å; P103-Y135 HydrophobicContact CB-CE2 3.93Å; P103-Y135 HydrophobicContact CB-CG 4.28Å; P103-Y135 VanDerWaalsContact O-CE2 3.31Å; P103-Y135 WeakPolarHBondContact O-CE2 3.4Å; P103-Y135 VanDerWaalsContact O-CZ 3.25Å; P103-P511 HydrophobicContact CG-CB 4.14Å; P103-P511 HydrophobicContact CG-CG 4.11Å; P103-D512 VanDerWaalsContact CD-O 3.26Å; P103-D512 WeakPolarHBondContact CD-O 3.46Å; P103-D514 HydrophobicContact CB-CB 4.29Å; P103-D514 HydrophobicContact CG-CB 4.16Å; P103-W528 HydrophobicContact CB-CZ2 4.23Å |
| 104 | Y | 96.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 3% | 0.027 | 12% | 0.122 | C | C | . | . | trans | -142.9 | 164.1 | 174.7 | 81.9 | -61.3 | 0 | 0 | 0 | 112.8 | M93 I97 I98 Q102 N509 P511 | M93-Y104 HydrophobicContact CE-CE2 4.23Å; I97-Y104 VanDerWaalsContact C-OH 3.27Å; I97-Y104 PolarHBondContact O-OH 3.14Å; I98-Y104 WeakPolarHBondContact CA-OH 3.46Å; I98-Y104 HydrophobicContact CB-CE1 4.02Å; I98-Y104 HydrophobicContact CD1-CE2 4.39Å; I98-Y104 HydrophobicContact CG1-CD1 4.21Å; I98-Y104 HydrophobicContact CG1-CD2 4.19Å; I98-Y104 HydrophobicContact CG1-CE1 3.6Å; I98-Y104 HydrophobicContact CG1-CE2 3.58Å; I98-Y104 HydrophobicContact CG1-CG 4.49Å; I98-Y104 WeakPolarHBondContact CG1-OH 3.49Å; I98-Y104 HydrophobicContact CG2-CD1 4.33Å; I98-Y104 HydrophobicContact CG2-CE1 3.96Å; I98-Y104 PolarHBondContact N-OH 2.88Å; Q102-Y104 HydrophobicContact CB-CD1 3.61Å; Q102-Y104 HydrophobicContact CB-CE1 3.58Å; Q102-Y104 HydrophobicContact CG-CE1 4.3Å; Q102-Y104 PolarHBondContact O-N 3.34Å; Y104-N509 WeakPolarHBondContact CE2-O 3.45Å; Y104-P511 HydrophobicContact CD1-CG 3.74Å; Y104-P511 HydrophobicContact CE1-CG 4.46Å; Y104-P511 HydrophobicContact CG-CG 4.13Å | ||
| 105 | C | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 7% | 0.074 | 13% | 0.132 | C | C | . | . | trans | -150.4 | 175.9 | 177.2 | 66.9 | 0 | 0 | 0 | 0 | 108.9 | L132 Y135 C139 R144 | C105-L132 WeakPolarHBondContact CA-O 3.1Å; C105-L132 VanDerWaalsContact CB-O 3.24Å; C105-L132 WeakPolarHBondContact CB-O 3.43Å; C105-Y135 HydrophobicContact CB-CD1 4.48Å; C105-Y135 HydrophobicContact CB-CE1 4.45Å; C105-C139 HydrophobicContact CB-CB 3.45Å; C105-C139 VanDerWaalsContact CB-CB 3.45Å; C105-C139 WeakPolarHBondContact CB-SG 3.37Å; C105-C139 WeakPolarHBondContact SG-CB 3.39Å; C105-C139 CovalentContact SG-SG 2.05Å; C105-C139 PolarHBondContact SG-SG 3.29Å; C105-R144 PolarHBondContact SG-NH1 3.33Å | ||
| 106 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -49.8 | 131.3 | 167.1 | 176.4 | 0 | 0 | 0 | 0 | 108.2 | N80 T84 M93 L108 E110 L112 L132 R144 | N80-V106 HydrophobicContact CB-CG2 4.24Å; N80-V106 WeakPolarHBondContact OD1-CG2 3.45Å; T84-V106 HydrophobicContact CG2-CG1 3.71Å; M93-V106 HydrophobicContact CE-CG2 4.12Å; M93-V106 HydrophobicContact SD-CB 4.42Å; M93-V106 HydrophobicContact SD-CG2 3.84Å; V106-L108 PolarHBondContact O-N 2.84Å; V106-E110 HydrophobicContact CG1-CB 4Å; V106-E110 HydrophobicContact CG1-CG 3.91Å; V106-L112 HydrophobicContact CG1-CD2 4.16Å; V106-L132 HydrophobicContact CG2-CB 3.79Å; V106-L132 HydrophobicContact CG2-CD1 4.24Å; V106-L132 HydrophobicContact CG2-CD2 3.73Å; V106-L132 HydrophobicContact CG2-CG 4.13Å; V106-L132 PolarHBondContact N-O 3.02Å; V106-L132 VanDerWaalsContact N-O 3.1Å; V106-R144 PolarHBondContact O-NH1 3.45Å |
| 107 | P | 98.5 | Very high | 98.4 | Very high | 34 Ų | 34 | 24 Ų | 24 | 22% | 0.221 | 12% | 0.123 | C | C | . | . | trans | -52.5 | 136.7 | -173.4 | -25.8 | 32.3 | 0 | 0 | 0 | 111.8 | T91 D109 E110 | T91-P107 WeakPolarHBondContact O-CG 3.46Å; P107-D109 VanDerWaalsContact CB-OD1 3.25Å; P107-D109 WeakPolarHBondContact CB-OD1 3.37Å; P107-D109 PolarHBondContact O-N 3.2Å; P107-D109 VanDerWaalsContact O-N 3.16Å; P107-E110 HydrophobicContact CB-CG 4.08Å; P107-E110 HydrophobicContact CG-CG 4.3Å; P107-E110 WeakPolarHBondContact O-CB 3.36Å; P107-E110 PolarHBondContact O-N 2.87Å | ||
| 108 | L | 98.4 | Very high | 98.4 | Very high | 86 Ų | 86 | 27.4 Ų | 27.4 | 45% | 0.45 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -14.5 | -173.1 | -61 | -177.2 | 0 | 0 | 0 | 113.4 | V106 D138 | V106-L108 PolarHBondContact O-N 2.84Å; L108-D138 HydrophobicContact CD1-CB 3.84Å; L108-D138 HydrophobicContact CD2-CB 3.91Å |
| 109 | D | 98.1 | Very high | 98.4 | Very high | 102 Ų | 102 | 32.7 Ų | 32.7 | 55% | 0.545 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3.3 | 173.3 | 68.9 | -21.6 | 0 | 0 | 0 | 113 | P107 K353 | P107-D109 VanDerWaalsContact CB-OD1 3.25Å; P107-D109 WeakPolarHBondContact CB-OD1 3.37Å; P107-D109 PolarHBondContact O-N 3.2Å; P107-D109 VanDerWaalsContact O-N 3.16Å; D109-K353 VanDerWaalsContact CG-CE 3.42Å; D109-K353 IonicContact OD1-NZ 3.36Å; D109-K353 PolarHBondContact OD1-NZ 3.34Å; D109-K353 WeakPolarHBondContact OD2-CE 3.41Å; D109-K353 IonicContact OD2-NZ 2.77Å; D109-K353 PolarHBondContact OD2-NZ 2.85Å |
| 110 | E | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.028 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -79.7 | 128.4 | 162.7 | -59.3 | -54.4 | 144.9 | 0 | 0 | 110.2 | T84 R86 T91 V106 P107 L112 K353 | T84-E110 HydrophobicContact CG2-CB 3.95Å; T84-E110 HydrophobicContact CG2-CG 4.09Å; R86-E110 VanDerWaalsContact CD-OE2 3.27Å; R86-E110 WeakPolarHBondContact CD-OE2 3.26Å; R86-E110 IonicContact CZ-OE1 2.63Å; R86-E110 IonicContact CZ-OE2 2.74Å; R86-E110 IonicContact NE-OE2 2.67Å; R86-E110 IonicContact NH1-OE1 2.86Å; R86-E110 PolarHBondContact NH1-OE1 3Å; R86-E110 IonicContact NH1-OE2 3.71Å; R86-E110 PolarHBondContact NH1-OE2 3.07Å; T91-E110 HydrophobicContact CG2-CG 4.35Å; V106-E110 HydrophobicContact CG1-CB 4Å; V106-E110 HydrophobicContact CG1-CG 3.91Å; P107-E110 HydrophobicContact CB-CG 4.08Å; P107-E110 HydrophobicContact CG-CG 4.3Å; P107-E110 WeakPolarHBondContact O-CB 3.36Å; P107-E110 PolarHBondContact O-N 2.87Å; E110-L112 HydrophobicContact CB-CD2 4.14Å; E110-K353 WeakPolarHBondContact OE1-CD 3.43Å; E110-K353 WeakPolarHBondContact OE1-CE 3.45Å; E110-K353 IonicContact OE1-NZ 3.73Å; E110-K353 PolarHBondContact OE1-NZ 3.39Å |
| 111 | K | 98.6 | Very high | 98.4 | Very high | 37 Ų | 37 | 32.1 Ų | 32.1 | 16% | 0.161 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -91.3 | 116.3 | 174 | -168.6 | 173.4 | -178 | -171.4 | 0 | 109.6 | Q115 L116 E119 G350 T352 | K111-Q115 HydrophobicContact CG-CB 4.32Å; K111-L116 HydrophobicContact CD-CD2 3.76Å; K111-L116 HydrophobicContact CG-CD2 4.11Å; K111-L116 HydrophobicContact CG-CG 4.36Å; K111-E119 VanDerWaalsContact CE-CD 3.49Å; K111-E119 WeakPolarHBondContact CE-OE1 3.46Å; K111-E119 WeakPolarHBondContact CE-OE2 3.36Å; K111-E119 IonicContact NZ-OE1 3.19Å; K111-E119 PolarHBondContact NZ-OE1 2.93Å; K111-E119 IonicContact NZ-OE2 3.81Å; K111-E119 PolarHBondContact NZ-OE2 3.49Å; K111-G350 PolarHBondContact NZ-O 3.26Å; K111-G350 VanDerWaalsContact NZ-O 3.1Å; K111-T352 HydrophobicContact CB-CG2 4.27Å |
| 112 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -85.8 | 154.5 | -171.6 | -52 | -164.7 | 0 | 0 | 0 | 112.9 | M83 T84 V106 E110 P114 Q115 L116 W130 R144 | M83-L112 HydrophobicContact CB-CB 4.49Å; M83-L112 HydrophobicContact CB-CD1 4.28Å; M83-L112 HydrophobicContact CB-CD2 4.24Å; M83-L112 CarbonylContact O-C 3.56Å; M83-L112 VanDerWaalsContact O-CA 3.25Å; M83-L112 WeakPolarHBondContact O-CA 3.38Å; T84-L112 HydrophobicContact CG2-CD2 3.68Å; V106-L112 HydrophobicContact CG1-CD2 4.16Å; E110-L112 HydrophobicContact CB-CD2 4.14Å; L112-P114 HydrophobicContact CB-CG 4.08Å; L112-Q115 WeakPolarHBondContact O-CA 3.47Å; L112-Q115 WeakPolarHBondContact O-CB 3.38Å; L112-Q115 PolarHBondContact O-N 3.09Å; L112-L116 PolarHBondContact O-N 2.72Å; L112-W130 HydrophobicContact CD1-CH2 3.86Å; L112-R144 HydrophobicContact CD1-CB 3.81Å |
| 113 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -41.1 | -53.9 | 172.4 | 172.9 | 59.5 | 0 | 0 | 0 | 114.3 | M83 Q115 L116 L117 F217 L338 L341 V342 | M83-L113 PolarHBondContact O-N 2.91Å; M83-L113 HydrophobicContact SD-CB 4.47Å; L113-Q115 VanDerWaalsContact C-N 3.28Å; L113-Q115 PolarHBondContact O-N 2.96Å; L113-L116 PolarHBondContact O-N 2.95Å; L113-L116 VanDerWaalsContact O-N 3.15Å; L113-L117 HydrophobicContact CD1-CD1 3.72Å; L113-L117 HydrophobicContact CD1-CD2 4.49Å; L113-L117 HydrophobicContact CD1-CG 3.85Å; L113-L117 HydrophobicContact CG-CD1 4.02Å; L113-L117 HydrophobicContact CG-CG 4.49Å; L113-L117 WeakPolarHBondContact O-CG 3.29Å; L113-L117 PolarHBondContact O-N 2.88Å; L113-F217 HydrophobicContact CD2-CE2 4.46Å; L113-F217 HydrophobicContact CD2-CZ 3.9Å; L113-F217 HydrophobicContact CG-CZ 4.22Å; L113-L338 HydrophobicContact CB-CD1 4.23Å; L113-L338 HydrophobicContact CB-CG 4.23Å; L113-L338 HydrophobicContact CD1-CG 4.32Å; L113-L341 HydrophobicContact CD1-CB 4.12Å; L113-L341 HydrophobicContact CD2-CD1 3.89Å; L113-V342 HydrophobicContact CD1-CG2 3.87Å |
| 114 | P | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -32.7 | 178.4 | 24.6 | -38.1 | 0 | 0 | 0 | 113.5 | L112 L117 K118 R144 F146 F217 | L112-P114 HydrophobicContact CB-CG 4.08Å; P114-L117 PolarHBondContact O-N 2.88Å; P114-K118 WeakPolarHBondContact O-CB 3.27Å; P114-K118 PolarHBondContact O-N 3.25Å; P114-R144 WeakPolarHBondContact CG-O 3.45Å; P114-F146 HydrophobicContact CB-CD1 3.91Å; P114-F146 HydrophobicContact CB-CD2 4.17Å; P114-F146 HydrophobicContact CB-CE1 3.78Å; P114-F146 HydrophobicContact CB-CE2 4.06Å; P114-F146 HydrophobicContact CB-CG 4.12Å; P114-F146 HydrophobicContact CB-CZ 3.86Å; P114-F146 HydrophobicContact CG-CD2 3.99Å; P114-F146 HydrophobicContact CG-CE1 4.23Å; P114-F146 HydrophobicContact CG-CE2 3.64Å; P114-F146 HydrophobicContact CG-CG 4.44Å; P114-F146 HydrophobicContact CG-CZ 3.78Å; P114-F217 HydrophobicContact CB-CD1 4.35Å; P114-F217 HydrophobicContact CB-CE1 4.04Å |
| 115 | Q | 98.9 | Very high | 98.6 | Very high | 57 Ų | 57 | 31.9 Ų | 31.9 | 27% | 0.266 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.2 | -43.9 | 175.3 | -62.4 | 174.6 | -72.4 | 0 | 0 | 110.8 | K111 L112 L113 K118 E119 R144 G145 | K111-Q115 HydrophobicContact CG-CB 4.32Å; L112-Q115 WeakPolarHBondContact O-CA 3.47Å; L112-Q115 WeakPolarHBondContact O-CB 3.38Å; L112-Q115 PolarHBondContact O-N 3.09Å; L113-Q115 VanDerWaalsContact C-N 3.28Å; L113-Q115 PolarHBondContact O-N 2.96Å; Q115-K118 PolarHBondContact O-N 2.95Å; Q115-E119 WeakPolarHBondContact O-CG 3.35Å; Q115-E119 PolarHBondContact O-N 3.06Å; Q115-R144 WeakPolarHBondContact CG-O 3.37Å; Q115-G145 VanDerWaalsContact CG-CA 3.49Å |
| 116 | L | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | 177.4 | -61.2 | 168.4 | 0 | 0 | 0 | 112 | K111 L112 L113 E119 A120 L338 V342 T352 | K111-L116 HydrophobicContact CD-CD2 3.76Å; K111-L116 HydrophobicContact CG-CD2 4.11Å; K111-L116 HydrophobicContact CG-CG 4.36Å; L112-L116 PolarHBondContact O-N 2.72Å; L113-L116 PolarHBondContact O-N 2.95Å; L113-L116 VanDerWaalsContact O-N 3.15Å; L116-E119 PolarHBondContact O-N 2.69Å; L116-A120 PolarHBondContact O-N 3.27Å; L116-L338 HydrophobicContact CD1-CD1 4.01Å; L116-L338 HydrophobicContact CD1-CD2 3.68Å; L116-L338 HydrophobicContact CD1-CG 4.02Å; L116-V342 HydrophobicContact CB-CG2 3.66Å; L116-V342 HydrophobicContact CD1-CG2 3.87Å; L116-V342 HydrophobicContact CG-CG2 4.41Å; L116-T352 HydrophobicContact CD1-CG2 3.72Å; L116-T352 HydrophobicContact CD2-CG2 4.23Å |
| 117 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69 | -38.5 | 176.5 | -68.8 | 177.4 | 0 | 0 | 0 | 111.9 | I31 L113 P114 E119 A120 G121 Y122 T124 F217 V342 A345 | I31-L117 HydrophobicContact CD1-CD2 4.21Å; L113-L117 HydrophobicContact CD1-CD1 3.72Å; L113-L117 HydrophobicContact CD1-CD2 4.49Å; L113-L117 HydrophobicContact CD1-CG 3.85Å; L113-L117 HydrophobicContact CG-CD1 4.02Å; L113-L117 HydrophobicContact CG-CG 4.49Å; L113-L117 WeakPolarHBondContact O-CG 3.29Å; L113-L117 PolarHBondContact O-N 2.88Å; P114-L117 PolarHBondContact O-N 2.88Å; L117-E119 VanDerWaalsContact C-N 3.34Å; L117-A120 CarbonylContact O-C 3.57Å; L117-A120 WeakPolarHBondContact O-CA 3.46Å; L117-A120 WeakPolarHBondContact O-CB 3.42Å; L117-A120 PolarHBondContact O-N 2.9Å; L117-A120 VanDerWaalsContact O-N 3.08Å; L117-G121 PolarHBondContact O-N 3.49Å; L117-Y122 HydrophobicContact CB-CD2 4.45Å; L117-Y122 HydrophobicContact CB-CG 4.17Å; L117-Y122 HydrophobicContact CD2-CD2 4.47Å; L117-Y122 VanDerWaalsContact O-CB 3.29Å; L117-Y122 WeakPolarHBondContact O-CB 3.34Å; L117-Y122 WeakPolarHBondContact O-CD2 3.36Å; L117-Y122 PolarHBondContact O-N 2.97Å; L117-T124 HydrophobicContact CB-CG2 4.41Å; L117-F217 HydrophobicContact CD1-CB 3.89Å; L117-F217 HydrophobicContact CD1-CD1 3.55Å; L117-F217 HydrophobicContact CD1-CD2 3.52Å; L117-F217 HydrophobicContact CD1-CE1 3.87Å; L117-F217 HydrophobicContact CD1-CE2 3.85Å; L117-F217 HydrophobicContact CD1-CG 3.36Å; L117-F217 HydrophobicContact CD1-CZ 4.01Å; L117-V342 HydrophobicContact CD2-CG2 4.47Å; L117-A345 HydrophobicContact CD2-CB 3.5Å |
| 118 | K | 98.4 | Very high | 98.6 | Very high | 99 Ų | 99 | 29.8 Ų | 29.8 | 43% | 0.43 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62 | -42.1 | 173.8 | -176.4 | 167.4 | 176.6 | 166 | 0 | 111.6 | P114 Q115 A120 G121 T124 D147 | P114-K118 WeakPolarHBondContact O-CB 3.27Å; P114-K118 PolarHBondContact O-N 3.25Å; Q115-K118 PolarHBondContact O-N 2.95Å; K118-A120 VanDerWaalsContact C-N 3.25Å; K118-A120 PolarHBondContact O-N 3.23Å; K118-G121 WeakPolarHBondContact O-CA 3.5Å; K118-G121 PolarHBondContact O-N 2.78Å; K118-T124 HydrophobicContact CB-CG2 3.98Å; K118-D147 WeakPolarHBondContact CE-OD1 3.36Å; K118-D147 IonicContact NZ-OD1 3.18Å; K118-D147 PolarHBondContact NZ-OD1 2.74Å |
| 119 | E | 98.4 | Very high | 98.6 | Very high | 123 Ų | 123 | 25.7 Ų | 25.7 | 58% | 0.575 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -62.4 | -32.3 | 171.8 | -73 | 171.1 | -167.8 | 0 | 0 | 112.6 | K111 Q115 L116 L117 G121 | K111-E119 VanDerWaalsContact CE-CD 3.49Å; K111-E119 WeakPolarHBondContact CE-OE1 3.46Å; K111-E119 WeakPolarHBondContact CE-OE2 3.36Å; K111-E119 IonicContact NZ-OE1 3.19Å; K111-E119 PolarHBondContact NZ-OE1 2.93Å; K111-E119 IonicContact NZ-OE2 3.81Å; K111-E119 PolarHBondContact NZ-OE2 3.49Å; Q115-E119 WeakPolarHBondContact O-CG 3.35Å; Q115-E119 PolarHBondContact O-N 3.06Å; L116-E119 PolarHBondContact O-N 2.69Å; L117-E119 VanDerWaalsContact C-N 3.34Å; E119-G121 PolarHBondContact O-N 3.43Å |
| 120 | A | 97.9 | Very high | 98.7 | Very high | 29 Ų | 29 | 20.9 Ų | 20.9 | 24% | 0.24 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 4.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L116 L117 K118 Y122 A345 | L116-A120 PolarHBondContact O-N 3.27Å; L117-A120 CarbonylContact O-C 3.57Å; L117-A120 WeakPolarHBondContact O-CA 3.46Å; L117-A120 WeakPolarHBondContact O-CB 3.42Å; L117-A120 PolarHBondContact O-N 2.9Å; L117-A120 VanDerWaalsContact O-N 3.08Å; K118-A120 VanDerWaalsContact C-N 3.25Å; K118-A120 PolarHBondContact O-N 3.23Å; A120-Y122 HydrophobicContact CB-CD2 4.17Å; A120-Y122 HydrophobicContact CB-CE2 4.4Å; A120-A345 HydrophobicContact CB-CB 4.08Å |
| 121 | G | 97.5 | Very high | 98.7 | Very high | 39 Ų | 39 | 20.9 Ų | 20.9 | 40% | 0.402 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | 12 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L117 K118 E119 | L117-G121 PolarHBondContact O-N 3.49Å; K118-G121 WeakPolarHBondContact O-CA 3.5Å; K118-G121 PolarHBondContact O-N 2.78Å; E119-G121 PolarHBondContact O-N 3.43Å |
| 122 | Y | 98.6 | Very high | 98.7 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 2% | 0.02 | 11% | 0.106 | C | C | . | . | trans | -75.9 | 145 | 178.6 | -75.4 | -118.5 | 0 | 0 | 0 | 112.2 | P28 P29 I31 L117 A120 P215 L216 F217 A345 | P28-Y122 HydrophobicContact CB-CE2 3.98Å; P28-Y122 WeakPolarHBondContact CB-OH 3.47Å; P29-Y122 WeakPolarHBondContact O-CE1 3.44Å; P29-Y122 VanDerWaalsContact O-CZ 3.31Å; P29-Y122 PolarHBondContact O-OH 3.05Å; I31-Y122 HydrophobicContact CD1-CE1 3.79Å; I31-Y122 HydrophobicContact CG1-CE1 4.05Å; L117-Y122 HydrophobicContact CB-CD2 4.45Å; L117-Y122 HydrophobicContact CB-CG 4.17Å; L117-Y122 HydrophobicContact CD2-CD2 4.47Å; L117-Y122 VanDerWaalsContact O-CB 3.29Å; L117-Y122 WeakPolarHBondContact O-CB 3.34Å; L117-Y122 WeakPolarHBondContact O-CD2 3.36Å; L117-Y122 PolarHBondContact O-N 2.97Å; A120-Y122 HydrophobicContact CB-CD2 4.17Å; A120-Y122 HydrophobicContact CB-CE2 4.4Å; Y122-P215 WeakPolarHBondContact CA-O 3.47Å; Y122-P215 HydrophobicContact CD1-CB 3.85Å; Y122-P215 HydrophobicContact CD1-CG 4.09Å; Y122-P215 HydrophobicContact CD2-CB 4.15Å; Y122-P215 HydrophobicContact CD2-CG 3.56Å; Y122-P215 HydrophobicContact CE1-CB 3.62Å; Y122-P215 HydrophobicContact CE1-CG 4.14Å; Y122-P215 HydrophobicContact CE2-CB 3.9Å; Y122-P215 HydrophobicContact CE2-CG 3.57Å; Y122-P215 HydrophobicContact CG-CB 4.1Å; Y122-P215 HydrophobicContact CG-CG 3.8Å; Y122-L216 WeakPolarHBondContact CD1-O 3.29Å; Y122-F217 HydrophobicContact CD1-CB 3.84Å; Y122-F217 HydrophobicContact CG-CB 4.49Å; Y122-A345 HydrophobicContact CD2-CB 4.19Å; Y122-A345 HydrophobicContact CE2-CB 3.31Å; Y122-A345 WeakPolarHBondContact OH-CA 3.29Å | ||
| 123 | G | 98.4 | Very high | 98.7 | Very high | 9 Ų | 9 | 19.3 Ų | 19.3 | 9% | 0.093 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 123.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109 | P215 F217 | G123-P215 PolarHBondContact N-O 2.94Å; G123-F217 PolarHBondContact O-N 2.97Å |
| 124 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.1 | -168.5 | 55 | 0 | 0 | 0 | 0 | 111.5 | L117 K118 G145 F146 D147 T148 F217 | L117-T124 HydrophobicContact CB-CG2 4.41Å; K118-T124 HydrophobicContact CB-CG2 3.98Å; T124-G145 PolarHBondContact OG1-O 3.34Å; T124-F146 WeakPolarHBondContact OG1-CA 3.18Å; T124-D147 PolarHBondContact N-OD2 2.95Å; T124-D147 WeakPolarHBondContact O-CA 3.32Å; T124-D147 WeakPolarHBondContact O-CB 3.48Å; T124-D147 PolarHBondContact O-N 2.64Å; T124-D147 VanDerWaalsContact OG1-CG 3.24Å; T124-D147 PolarHBondContact OG1-N 2.6Å; T124-D147 PolarHBondContact OG1-OD2 3.27Å; T124-T148 PolarHBondContact O-N 2.89Å; T124-F217 HydrophobicContact CG2-CB 4.29Å; T124-F217 HydrophobicContact CG2-CD1 4.13Å |
| 125 | H | 98.9 | Very high | 98.6 | Very high | 29 Ų | 29 | 21.5 Ų | 21.5 | 13% | 0.134 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 137.7 | -173.4 | -55.5 | -84.8 | 0 | 0 | 0 | 110.2 | T148 V206 L216 F217 L218 Y219 | H125-T148 PolarHBondContact ND1-OG1 2.95Å; H125-V206 HydrophobicContact CB-CG1 3.79Å; H125-V206 HydrophobicContact CB-CG2 4.43Å; H125-L216 VanDerWaalsContact CD2-CD1 3.45Å; H125-L216 WeakPolarHBondContact CD2-CD1 3.5Å; H125-F217 PolarHBondContact N-O 3.35Å; H125-L218 HydrophobicContact CB-CD1 3.88Å; H125-L218 WeakPolarHBondContact O-CA 3.17Å; H125-Y219 PolarHBondContact O-N 3.33Å |
| 126 | M | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.7 | 173.5 | 177 | 172.6 | 178.6 | 0 | 0 | 110.8 | K129 W130 P141 F146 T148 Y149 F150 Y219 A221 | M126-K129 VanDerWaalsContact CE-C 3.46Å; M126-K129 WeakPolarHBondContact CE-O 3.44Å; M126-W130 HydrophobicContact CE-CB 4.21Å; M126-W130 HydrophobicContact CE-CE3 3.84Å; M126-W130 HydrophobicContact SD-CE3 3.72Å; M126-W130 HydrophobicContact SD-CZ3 4.11Å; M126-P141 HydrophobicContact SD-CB 4.11Å; M126-P141 HydrophobicContact SD-CG 4.24Å; M126-F146 HydrophobicContact CB-CB 4.43Å; M126-F146 HydrophobicContact CB-CD1 3.63Å; M126-F146 HydrophobicContact CB-CD2 3.97Å; M126-F146 HydrophobicContact CB-CE1 3.72Å; M126-F146 HydrophobicContact CB-CE2 4.05Å; M126-F146 HydrophobicContact CB-CG 3.76Å; M126-F146 HydrophobicContact CB-CZ 3.93Å; M126-F146 HydrophobicContact CG-CE2 4.42Å; M126-F146 HydrophobicContact CG-CZ 4.4Å; M126-F146 HydrophobicContact SD-CD2 4.1Å; M126-F146 HydrophobicContact SD-CE2 3.71Å; M126-F146 HydrophobicContact SD-CZ 4.13Å; M126-T148 PolarHBondContact N-O 2.77Å; M126-Y149 HydrophobicContact CB-CD2 3.99Å; M126-Y149 HydrophobicContact CE-CE2 4.04Å; M126-Y149 HydrophobicContact CG-CD2 3.76Å; M126-Y149 HydrophobicContact CG-CE2 4.06Å; M126-Y149 WeakPolarHBondContact O-CA 3.34Å; M126-Y149 HydrophobicContact SD-CD2 3.99Å; M126-Y149 HydrophobicContact SD-CE2 4.02Å; M126-F150 PolarHBondContact O-N 3.49Å; M126-Y219 CarbonylContact C-O 3.57Å; M126-Y219 VanDerWaalsContact CA-O 3.32Å; M126-Y219 WeakPolarHBondContact CA-O 3.43Å; M126-Y219 HydrophobicContact CB-CD1 4.43Å; M126-Y219 HydrophobicContact CE-CD1 3.83Å; M126-Y219 HydrophobicContact CE-CE1 3.55Å; M126-Y219 HydrophobicContact CG-CD1 3.72Å; M126-Y219 HydrophobicContact CG-CE1 4.4Å; M126-Y219 HydrophobicContact SD-CD1 3.71Å; M126-Y219 HydrophobicContact SD-CE1 3.98Å; M126-A221 HydrophobicContact CE-CB 4.2Å |
| 127 | V | 99 | Very high | 98.6 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.6 | 172.6 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | F150 F199 R202 L218 Y219 V220 A221 | V127-F150 CarbonylContact C-O 3.42Å; V127-F150 VanDerWaalsContact CA-O 3.22Å; V127-F150 WeakPolarHBondContact CA-O 3.4Å; V127-F199 HydrophobicContact CG1-CB 3.73Å; V127-F199 HydrophobicContact CG1-CD1 3.89Å; V127-F199 HydrophobicContact CG1-CG 4.05Å; V127-R202 HydrophobicContact CG1-CB 3.93Å; V127-R202 HydrophobicContact CG2-CB 4.38Å; V127-L218 HydrophobicContact CG2-CD1 4.19Å; V127-Y219 PolarHBondContact N-O 2.77Å; V127-V220 CarbonylContact O-C 3.58Å; V127-V220 WeakPolarHBondContact O-CA 3.49Å; V127-A221 PolarHBondContact O-N 3.36Å |
| 128 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.4 | -149.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y149 F150 A221 | G128-Y149 WeakPolarHBondContact O-CE2 3.31Å; G128-Y149 PolarHBondContact O-OH 2.85Å; G128-F150 PolarHBondContact N-O 3.4Å; G128-A221 CarbonylContact C-O 3.54Å; G128-A221 WeakPolarHBondContact CA-O 3.18Å |
| 129 | K | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -65 | 125.7 | -169 | -179.7 | 167.9 | 157.1 | 176.6 | 0 | 114.1 | D37 C75 R79 M126 H131 Y152 G155 A221 | D37-K129 IonicContact OD1-NZ 3.89Å; D37-K129 WeakPolarHBondContact OD2-CD 3.13Å; D37-K129 WeakPolarHBondContact OD2-CE 3.28Å; D37-K129 IonicContact OD2-NZ 2.74Å; D37-K129 PolarHBondContact OD2-NZ 3.32Å; C75-K129 PolarHBondContact SG-NZ 2.05Å; R79-K129 PolarHBondContact NH1-O 3.47Å; M126-K129 VanDerWaalsContact CE-C 3.46Å; M126-K129 WeakPolarHBondContact CE-O 3.44Å; K129-H131 HydrophobicContact CD-CB 4.33Å; K129-H131 WeakPolarHBondContact CE-ND1 3.47Å; K129-H131 HydrophobicContact CG-CB 3.96Å; K129-Y152 HydrophobicContact CB-CD1 4.47Å; K129-Y152 HydrophobicContact CB-CE1 3.73Å; K129-Y152 HydrophobicContact CB-CE2 3.81Å; K129-Y152 WeakPolarHBondContact CB-OH 3.41Å; K129-Y152 HydrophobicContact CD-CE2 3.78Å; K129-Y152 VanDerWaalsContact CD-OH 3.28Å; K129-Y152 WeakPolarHBondContact CD-OH 3.31Å; K129-Y152 HydrophobicContact CG-CD2 4.37Å; K129-Y152 HydrophobicContact CG-CE1 4.47Å; K129-Y152 HydrophobicContact CG-CE2 3.6Å; K129-G155 VanDerWaalsContact CE-O 3.26Å; K129-G155 WeakPolarHBondContact CE-O 3.31Å; K129-G155 PolarHBondContact NZ-O 3.09Å; K129-A221 HydrophobicContact CB-CB 4.35Å; K129-A221 PolarHBondContact N-O 2.83Å; K129-A221 VanDerWaalsContact O-CB 3.27Å; K129-A221 WeakPolarHBondContact O-CB 3.42Å | ||
| 130 | W | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | trans | -84 | -71.8 | 171.3 | -179 | -134.9 | 0 | 0 | 0 | 113.5 | L112 M126 L132 G133 C139 P141 R144 F146 Y152 L153 | L112-W130 HydrophobicContact CD1-CH2 3.86Å; M126-W130 HydrophobicContact CE-CB 4.21Å; M126-W130 HydrophobicContact CE-CE3 3.84Å; M126-W130 HydrophobicContact SD-CE3 3.72Å; M126-W130 HydrophobicContact SD-CZ3 4.11Å; W130-L132 HydrophobicContact CD2-CB 3.91Å; W130-L132 HydrophobicContact CD2-CG 4.37Å; W130-L132 HydrophobicContact CE3-CB 4.28Å; W130-L132 HydrophobicContact CE3-CD1 4.07Å; W130-L132 HydrophobicContact CE3-CG 4.3Å; W130-L132 HydrophobicContact CH2-CB 4.17Å; W130-L132 HydrophobicContact CH2-CD1 3.78Å; W130-L132 HydrophobicContact CH2-CG 4.49Å; W130-L132 HydrophobicContact CZ2-CB 3.77Å; W130-L132 HydrophobicContact CZ2-CD1 4.25Å; W130-L132 HydrophobicContact CZ3-CB 4.41Å; W130-L132 HydrophobicContact CZ3-CD1 3.67Å; W130-L132 HydrophobicContact CZ3-CG 4.37Å; W130-L132 PolarHBondContact O-N 2.97Å; W130-G133 PolarHBondContact NE1-O 2.71Å; W130-G133 VanDerWaalsContact NE1-O 3.1Å; W130-C139 WeakPolarHBondContact CZ2-O 3.21Å; W130-C139 PolarHBondContact NE1-O 3.32Å; W130-P141 HydrophobicContact CB-CG 4.1Å; W130-P141 HydrophobicContact CD2-CB 4.46Å; W130-P141 HydrophobicContact CD2-CG 3.6Å; W130-P141 HydrophobicContact CE3-CB 4.46Å; W130-P141 HydrophobicContact CE3-CG 3.98Å; W130-P141 HydrophobicContact CG-CG 3.68Å; W130-P141 HydrophobicContact CZ2-CG 4.43Å; W130-R144 HydrophobicContact CH2-CB 4.41Å; W130-R144 HydrophobicContact CZ2-CB 4.37Å; W130-F146 HydrophobicContact CZ3-CE2 4.1Å; W130-Y152 PolarHBondContact N-O 3.17Å; W130-L153 HydrophobicContact CB-CD2 4.27Å; W130-L153 HydrophobicContact CG-CD2 4.5Å | ||
| 131 | H | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 2% | 0.023 | 11% | 0.109 | C | C | . | . | trans | 57.2 | 27.1 | 177.9 | -154.9 | -167.6 | 0 | 0 | 0 | 116.3 | C75 T76 I98 K129 L153 G155 | C75-H131 WeakPolarHBondContact CB-ND1 3.32Å; T76-H131 PolarHBondContact OG1-CD2 2.93Å; T76-H131 PolarHBondContact OG1-CE1 2.84Å; T76-H131 VanDerWaalsContact OG1-CE1 3.3Å; T76-H131 PolarHBondContact OG1-ND1 2.82Å; T76-H131 PolarHBondContact OG1-NE2 2.88Å; T76-H131 VanDerWaalsContact OG1-NE2 3.17Å; T76-H131 PolarHBondContact OG1-O 2.93Å; I98-H131 PolarHBondContact O-CD2 2.8Å; I98-H131 PolarHBondContact O-NE2 2.83Å; K129-H131 HydrophobicContact CD-CB 4.33Å; K129-H131 WeakPolarHBondContact CE-ND1 3.47Å; K129-H131 HydrophobicContact CG-CB 3.96Å; H131-L153 WeakPolarHBondContact CA-O 3.33Å; H131-L153 PolarHBondContact N-O 2.87Å; H131-G155 WeakPolarHBondContact CE1-CA 3.28Å; H131-G155 WeakPolarHBondContact ND1-CA 3.31Å; H131-G155 WeakPolarHBondContact NE2-CA 3.21Å | ||
| 132 | L | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -114.8 | 21.2 | 175.2 | -63.8 | -177.3 | 0 | 0 | 0 | 113.3 | T76 R79 N80 M83 I98 C105 V106 W130 R144 | T76-L132 HydrophobicContact CG2-CD2 4.33Å; R79-L132 HydrophobicContact CB-CD1 4.32Å; R79-L132 HydrophobicContact CB-CD2 3.7Å; R79-L132 HydrophobicContact CB-CG 4.12Å; N80-L132 HydrophobicContact CB-CD2 4.02Å; M83-L132 HydrophobicContact CB-CD1 4.05Å; M83-L132 HydrophobicContact CG-CD1 3.61Å; I98-L132 VanDerWaalsContact CD1-C 3.44Å; C105-L132 WeakPolarHBondContact CA-O 3.1Å; C105-L132 VanDerWaalsContact CB-O 3.24Å; C105-L132 WeakPolarHBondContact CB-O 3.43Å; V106-L132 HydrophobicContact CG2-CB 3.79Å; V106-L132 HydrophobicContact CG2-CD1 4.24Å; V106-L132 HydrophobicContact CG2-CD2 3.73Å; V106-L132 HydrophobicContact CG2-CG 4.13Å; V106-L132 PolarHBondContact N-O 3.02Å; V106-L132 VanDerWaalsContact N-O 3.1Å; W130-L132 HydrophobicContact CD2-CB 3.91Å; W130-L132 HydrophobicContact CD2-CG 4.37Å; W130-L132 HydrophobicContact CE3-CB 4.28Å; W130-L132 HydrophobicContact CE3-CD1 4.07Å; W130-L132 HydrophobicContact CE3-CG 4.3Å; W130-L132 HydrophobicContact CH2-CB 4.17Å; W130-L132 HydrophobicContact CH2-CD1 3.78Å; W130-L132 HydrophobicContact CH2-CG 4.49Å; W130-L132 HydrophobicContact CZ2-CB 3.77Å; W130-L132 HydrophobicContact CZ2-CD1 4.25Å; W130-L132 HydrophobicContact CZ3-CB 4.41Å; W130-L132 HydrophobicContact CZ3-CD1 3.67Å; W130-L132 HydrophobicContact CZ3-CG 4.37Å; W130-L132 PolarHBondContact O-N 2.97Å; L132-R144 PolarHBondContact O-NH2 2.74Å |
| 133 | G | 98.4 | Very high | 98.7 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | trans | 93.2 | 147.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W130 C139 | W130-G133 PolarHBondContact NE1-O 2.71Å; W130-G133 VanDerWaalsContact NE1-O 3.1Å; G133-C139 VanDerWaalsContact O-CB 3.28Å; G133-C139 WeakPolarHBondContact O-CB 3.36Å; G133-C139 VanDerWaalsContact O-O 3.14Å | ||
| 134 | M | 98.5 | Very high | 98.8 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 4% | 0.044 | 12% | 0.121 | C | C | . | . | trans | -144.7 | -0.8 | -169.6 | 59 | 77 | 168.6 | 0 | 0 | 114.7 | P100 K136 L140 L153 T154 W525 P527 W528 | P100-M134 WeakPolarHBondContact O-CE 3.5Å; M134-K136 PolarHBondContact O-N 2.98Å; M134-K136 VanDerWaalsContact O-N 3.14Å; M134-L140 HydrophobicContact CB-CD2 4.12Å; M134-L153 HydrophobicContact CB-CB 3.91Å; M134-L153 HydrophobicContact CB-CD1 3.95Å; M134-L153 HydrophobicContact CB-CG 4.38Å; M134-L153 HydrophobicContact CG-CB 3.95Å; M134-L153 HydrophobicContact CG-CD1 4.45Å; M134-T154 HydrophobicContact CE-CG2 4.11Å; M134-W525 HydrophobicContact CE-CB 4.29Å; M134-W525 HydrophobicContact CE-CE3 4.3Å; M134-P527 WeakPolarHBondContact O-CA 3.33Å; M134-P527 VanDerWaalsContact O-CG 3.29Å; M134-P527 WeakPolarHBondContact O-CG 3.3Å; M134-W528 HydrophobicContact CE-CZ3 3.82Å; M134-W528 HydrophobicContact SD-CE3 4.35Å; M134-W528 HydrophobicContact SD-CZ3 3.67Å | ||
| 135 | Y | 98.5 | Very high | 98.7 | Very high | 38 Ų | 38 | 27 Ų | 27 | 15% | 0.149 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -61.7 | -26.3 | -173.5 | 87.2 | -68.8 | 0 | 0 | 0 | 114.3 | P103 C105 C139 P527 W528 A529 | P103-Y135 HydrophobicContact CB-CD2 3.66Å; P103-Y135 HydrophobicContact CB-CE2 3.93Å; P103-Y135 HydrophobicContact CB-CG 4.28Å; P103-Y135 VanDerWaalsContact O-CE2 3.31Å; P103-Y135 WeakPolarHBondContact O-CE2 3.4Å; P103-Y135 VanDerWaalsContact O-CZ 3.25Å; C105-Y135 HydrophobicContact CB-CD1 4.48Å; C105-Y135 HydrophobicContact CB-CE1 4.45Å; Y135-C139 VanDerWaalsContact CE1-SG 3.54Å; Y135-P527 CarbonylContact O-C 3.59Å; Y135-P527 VanDerWaalsContact O-CA 3.3Å; Y135-P527 WeakPolarHBondContact O-CA 3.16Å; Y135-W528 VanDerWaalsContact CB-CH2 3.44Å; Y135-W528 VanDerWaalsContact CB-CZ2 3.42Å; Y135-W528 HydrophobicContact CG-CZ2 4.46Å; Y135-W528 PolarHBondContact O-N 3.38Å; Y135-A529 HydrophobicContact CD2-CB 3.83Å; Y135-A529 HydrophobicContact CE2-CB 4.13Å; Y135-A529 PolarHBondContact O-N 3.43Å |
| 136 | K | 98.5 | Very high | 98.7 | Very high | 68 Ų | 68 | 25.8 Ų | 25.8 | 30% | 0.296 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -117.6 | 152.4 | 171.8 | -73.7 | 178.2 | 176.4 | 170 | 0 | 110.9 | M134 D138 C139 A529 | M134-K136 PolarHBondContact O-N 2.98Å; M134-K136 VanDerWaalsContact O-N 3.14Å; K136-D138 PolarHBondContact O-N 3.09Å; K136-C139 VanDerWaalsContact O-CB 3.31Å; K136-C139 WeakPolarHBondContact O-CB 3.15Å; K136-C139 PolarHBondContact O-N 3.14Å; K136-A529 HydrophobicContact CG-CB 3.83Å |
| 137 | K | 98.5 | Very high | 98.7 | Very high | 123 Ų | 123 | 29.1 Ų | 29.1 | 54% | 0.535 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -55.5 | -39.3 | 172.9 | -71.3 | -167.1 | 177 | -170.1 | 0 | 112.7 | C139 L140 R143 P527 | K137-C139 PolarHBondContact O-N 3.21Å; K137-C139 VanDerWaalsContact O-N 3.09Å; K137-L140 VanDerWaalsContact O-CB 3.28Å; K137-L140 WeakPolarHBondContact O-CB 3.4Å; K137-L140 VanDerWaalsContact O-CG 3.31Å; K137-L140 WeakPolarHBondContact O-CG 3.13Å; K137-L140 PolarHBondContact O-N 3Å; K137-R143 WeakPolarHBondContact O-CG 3.28Å; K137-P527 HydrophobicContact CG-CB 4.28Å; K137-P527 HydrophobicContact CG-CG 4.17Å |
| 138 | D | 98.6 | Very high | 98.7 | Very high | 93 Ų | 93 | 32 Ų | 32 | 50% | 0.497 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -64.4 | -15.1 | 179 | -64 | -21.2 | 0 | 0 | 0 | 113.6 | L108 K136 R144 | L108-D138 HydrophobicContact CD1-CB 3.84Å; L108-D138 HydrophobicContact CD2-CB 3.91Å; K136-D138 PolarHBondContact O-N 3.09Å; D138-R144 WeakPolarHBondContact O-CD 3.45Å; D138-R144 WeakPolarHBondContact O-CG 3.42Å |
| 139 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -84.2 | -13.1 | 174.5 | -55.2 | 0 | 0 | 0 | 0 | 113.3 | C105 W130 G133 Y135 K136 K137 R144 | C105-C139 HydrophobicContact CB-CB 3.45Å; C105-C139 VanDerWaalsContact CB-CB 3.45Å; C105-C139 WeakPolarHBondContact CB-SG 3.37Å; C105-C139 WeakPolarHBondContact SG-CB 3.39Å; C105-C139 CovalentContact SG-SG 2.05Å; C105-C139 PolarHBondContact SG-SG 3.29Å; W130-C139 WeakPolarHBondContact CZ2-O 3.21Å; W130-C139 PolarHBondContact NE1-O 3.32Å; G133-C139 VanDerWaalsContact O-CB 3.28Å; G133-C139 WeakPolarHBondContact O-CB 3.36Å; G133-C139 VanDerWaalsContact O-O 3.14Å; Y135-C139 VanDerWaalsContact CE1-SG 3.54Å; K136-C139 VanDerWaalsContact O-CB 3.31Å; K136-C139 WeakPolarHBondContact O-CB 3.15Å; K136-C139 PolarHBondContact O-N 3.14Å; K137-C139 PolarHBondContact O-N 3.21Å; K137-C139 VanDerWaalsContact O-N 3.09Å; C139-R144 PolarHBondContact O-NH2 3.13Å |
| 140 | L | 98.9 | Very high | 98.7 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -72.4 | 149.6 | -175 | -60.5 | -179.1 | 0 | 0 | 0 | 112.4 | M134 K137 T142 R143 R144 L153 E184 P527 | M134-L140 HydrophobicContact CB-CD2 4.12Å; K137-L140 VanDerWaalsContact O-CB 3.28Å; K137-L140 WeakPolarHBondContact O-CB 3.4Å; K137-L140 VanDerWaalsContact O-CG 3.31Å; K137-L140 WeakPolarHBondContact O-CG 3.13Å; K137-L140 PolarHBondContact O-N 3Å; L140-T142 PolarHBondContact O-N 2.95Å; L140-T142 VanDerWaalsContact O-N 3.17Å; L140-R143 PolarHBondContact O-N 3.27Å; L140-R144 WeakPolarHBondContact O-CG 3.37Å; L140-R144 PolarHBondContact O-N 3.39Å; L140-L153 HydrophobicContact CD2-CD1 3.79Å; L140-L153 HydrophobicContact CD2-CD2 3.92Å; L140-E184 HydrophobicContact CD1-CG 3.94Å; L140-P527 HydrophobicContact CD1-CG 3.95Å; L140-P527 HydrophobicContact CD2-CG 4.08Å; L140-P527 HydrophobicContact CG-CG 4.2Å |
| 141 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -52.9 | -40.2 | 179.5 | -24.3 | 31.1 | 0 | 0 | 0 | 113.7 | M126 W130 R143 R144 G145 F146 Y149 L153 | M126-P141 HydrophobicContact SD-CB 4.11Å; M126-P141 HydrophobicContact SD-CG 4.24Å; W130-P141 HydrophobicContact CB-CG 4.1Å; W130-P141 HydrophobicContact CD2-CB 4.46Å; W130-P141 HydrophobicContact CD2-CG 3.6Å; W130-P141 HydrophobicContact CE3-CB 4.46Å; W130-P141 HydrophobicContact CE3-CG 3.98Å; W130-P141 HydrophobicContact CG-CG 3.68Å; W130-P141 HydrophobicContact CZ2-CG 4.43Å; P141-R143 PolarHBondContact O-N 3.47Å; P141-R144 CarbonylContact O-C 3.43Å; P141-R144 PolarHBondContact O-N 3.04Å; P141-G145 PolarHBondContact O-N 3.49Å; P141-F146 HydrophobicContact CB-CD2 3.89Å; P141-F146 PolarHBondContact O-N 3.05Å; P141-Y149 HydrophobicContact CB-CD1 4.44Å; P141-Y149 HydrophobicContact CB-CD2 3.95Å; P141-Y149 HydrophobicContact CB-CE2 4.47Å; P141-Y149 HydrophobicContact CB-CG 3.92Å; P141-Y149 HydrophobicContact CG-CD1 4.03Å; P141-Y149 HydrophobicContact CG-CD2 3.82Å; P141-Y149 HydrophobicContact CG-CE1 4.07Å; P141-Y149 HydrophobicContact CG-CE2 3.87Å; P141-Y149 HydrophobicContact CG-CG 3.89Å; P141-L153 HydrophobicContact CG-CD2 4.49Å |
| 142 | T | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 22% | 0.215 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -63.2 | -25.4 | 178.7 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | L140 E184 | L140-T142 PolarHBondContact O-N 2.95Å; L140-T142 VanDerWaalsContact O-N 3.17Å; T142-E184 HydrophobicContact CG2-CG 4.21Å; T142-E184 WeakPolarHBondContact OG1-CG 3.38Å; T142-E184 PolarHBondContact OG1-OE1 2.77Å |
| 143 | R | 98.7 | Very high | 98.7 | Very high | 135 Ų | 135 | 32.2 Ų | 32.2 | 51% | 0.509 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -96.4 | -5.9 | 175 | -55.1 | -56.5 | 174.6 | 166.6 | -4.2 | 112.8 | K137 L140 P141 E184 | K137-R143 WeakPolarHBondContact O-CG 3.28Å; L140-R143 PolarHBondContact O-N 3.27Å; P141-R143 PolarHBondContact O-N 3.47Å; R143-E184 IonicContact CZ-OE1 3.72Å; R143-E184 VanDerWaalsContact CZ-OE1 3.31Å; R143-E184 IonicContact CZ-OE2 2.83Å; R143-E184 IonicContact NE-OE1 2.74Å; R143-E184 PolarHBondContact NE-OE1 2.77Å; R143-E184 IonicContact NE-OE2 2.65Å; R143-E184 IonicContact NH2-OE1 3.13Å; R143-E184 PolarHBondContact NH2-OE1 3.38Å; R143-E184 IonicContact NH2-OE2 3.84Å; R143-E184 PolarHBondContact NH2-OE2 2.76Å |
| 144 | R | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 3% | 0.03 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 26.6 | -173.2 | -63.7 | -122.1 | -78 | -123.4 | -6.8 | 113.4 | C105 V106 L112 P114 Q115 W130 L132 D138 C139 L140 P141 | C105-R144 PolarHBondContact SG-NH1 3.33Å; V106-R144 PolarHBondContact O-NH1 3.45Å; L112-R144 HydrophobicContact CD1-CB 3.81Å; P114-R144 WeakPolarHBondContact CG-O 3.45Å; Q115-R144 WeakPolarHBondContact CG-O 3.37Å; W130-R144 HydrophobicContact CH2-CB 4.41Å; W130-R144 HydrophobicContact CZ2-CB 4.37Å; L132-R144 PolarHBondContact O-NH2 2.74Å; D138-R144 WeakPolarHBondContact O-CD 3.45Å; D138-R144 WeakPolarHBondContact O-CG 3.42Å; C139-R144 PolarHBondContact O-NH2 3.13Å; L140-R144 WeakPolarHBondContact O-CG 3.37Å; L140-R144 PolarHBondContact O-N 3.39Å; P141-R144 CarbonylContact O-C 3.43Å; P141-R144 PolarHBondContact O-N 3.04Å |
| 145 | G | 98.7 | Very high | 98.7 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 9% | 0.093 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.1 | -14 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q115 T124 P141 | Q115-G145 VanDerWaalsContact CG-CA 3.49Å; T124-G145 PolarHBondContact OG1-O 3.34Å; P141-G145 PolarHBondContact O-N 3.49Å |
| 146 | F | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | trans | -83.7 | 129.2 | 177.2 | -67.5 | -74 | 0 | 0 | 0 | 111.4 | M83 P114 T124 M126 W130 P141 F217 Y219 | M83-F146 HydrophobicContact CE-CZ 4.2Å; M83-F146 HydrophobicContact SD-CZ 4.47Å; P114-F146 HydrophobicContact CB-CD1 3.91Å; P114-F146 HydrophobicContact CB-CD2 4.17Å; P114-F146 HydrophobicContact CB-CE1 3.78Å; P114-F146 HydrophobicContact CB-CE2 4.06Å; P114-F146 HydrophobicContact CB-CG 4.12Å; P114-F146 HydrophobicContact CB-CZ 3.86Å; P114-F146 HydrophobicContact CG-CD2 3.99Å; P114-F146 HydrophobicContact CG-CE1 4.23Å; P114-F146 HydrophobicContact CG-CE2 3.64Å; P114-F146 HydrophobicContact CG-CG 4.44Å; P114-F146 HydrophobicContact CG-CZ 3.78Å; T124-F146 WeakPolarHBondContact OG1-CA 3.18Å; M126-F146 HydrophobicContact CB-CB 4.43Å; M126-F146 HydrophobicContact CB-CD1 3.63Å; M126-F146 HydrophobicContact CB-CD2 3.97Å; M126-F146 HydrophobicContact CB-CE1 3.72Å; M126-F146 HydrophobicContact CB-CE2 4.05Å; M126-F146 HydrophobicContact CB-CG 3.76Å; M126-F146 HydrophobicContact CB-CZ 3.93Å; M126-F146 HydrophobicContact CG-CE2 4.42Å; M126-F146 HydrophobicContact CG-CZ 4.4Å; M126-F146 HydrophobicContact SD-CD2 4.1Å; M126-F146 HydrophobicContact SD-CE2 3.71Å; M126-F146 HydrophobicContact SD-CZ 4.13Å; W130-F146 HydrophobicContact CZ3-CE2 4.1Å; P141-F146 HydrophobicContact CB-CD2 3.89Å; P141-F146 PolarHBondContact O-N 3.05Å; F146-F217 HydrophobicContact CE1-CD1 4.04Å; F146-F217 AromaticContact CE1-CE1 3.57Å; F146-F217 HydrophobicContact CE1-CE1 3.57Å; F146-F217 HydrophobicContact CE1-CZ 4.49Å; F146-F217 HydrophobicContact CZ-CE1 4.06Å; F146-Y219 AromaticContact CZ-CD1 3.88Å; F146-Y219 HydrophobicContact CZ-CD1 3.88Å; F146-Y219 HydrophobicContact CZ-CG 4.36Å | ||
| 147 | D | 98.8 | Very high | 98.7 | Very high | 71 Ų | 71 | 28.5 Ų | 28.5 | 38% | 0.38 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -69.2 | -36.6 | 174.7 | -62 | -52.8 | 0 | 0 | 0 | 111.9 | K118 T124 | K118-D147 WeakPolarHBondContact CE-OD1 3.36Å; K118-D147 IonicContact NZ-OD1 3.18Å; K118-D147 PolarHBondContact NZ-OD1 2.74Å; T124-D147 PolarHBondContact N-OD2 2.95Å; T124-D147 WeakPolarHBondContact O-CA 3.32Å; T124-D147 WeakPolarHBondContact O-CB 3.48Å; T124-D147 PolarHBondContact O-N 2.64Å; T124-D147 VanDerWaalsContact OG1-CG 3.24Å; T124-D147 PolarHBondContact OG1-N 2.6Å; T124-D147 PolarHBondContact OG1-OD2 3.27Å |
| 148 | T | 98.9 | Very high | 98.7 | Very high | 62 Ų | 62 | 24.4 Ų | 24.4 | 38% | 0.38 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.5 | 174.4 | 74.2 | 0 | 0 | 0 | 0 | 111.3 | T124 H125 M126 | T124-T148 PolarHBondContact O-N 2.89Å; H125-T148 PolarHBondContact ND1-OG1 2.95Å; M126-T148 PolarHBondContact N-O 2.77Å |
| 149 | Y | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 139 | 177 | 171.7 | -118.4 | 0 | 0 | 0 | 110.2 | M126 G128 P141 G151 Y152 L153 R181 G183 | M126-Y149 HydrophobicContact CB-CD2 3.99Å; M126-Y149 HydrophobicContact CE-CE2 4.04Å; M126-Y149 HydrophobicContact CG-CD2 3.76Å; M126-Y149 HydrophobicContact CG-CE2 4.06Å; M126-Y149 WeakPolarHBondContact O-CA 3.34Å; M126-Y149 HydrophobicContact SD-CD2 3.99Å; M126-Y149 HydrophobicContact SD-CE2 4.02Å; G128-Y149 WeakPolarHBondContact O-CE2 3.31Å; G128-Y149 PolarHBondContact O-OH 2.85Å; P141-Y149 HydrophobicContact CB-CD1 4.44Å; P141-Y149 HydrophobicContact CB-CD2 3.95Å; P141-Y149 HydrophobicContact CB-CE2 4.47Å; P141-Y149 HydrophobicContact CB-CG 3.92Å; P141-Y149 HydrophobicContact CG-CD1 4.03Å; P141-Y149 HydrophobicContact CG-CD2 3.82Å; P141-Y149 HydrophobicContact CG-CE1 4.07Å; P141-Y149 HydrophobicContact CG-CE2 3.87Å; P141-Y149 HydrophobicContact CG-CG 3.89Å; Y149-G151 PolarHBondContact OH-O 2.81Å; Y149-Y152 PolarHBondContact OH-N 2.86Å; Y149-Y152 PolarHBondContact OH-O 3.25Å; Y149-L153 HydrophobicContact CE1-CD2 3.79Å; Y149-R181 HydrophobicContact CD1-CB 4.18Å; Y149-R181 HydrophobicContact CE1-CB 3.77Å; Y149-R181 HydrophobicContact CE1-CG 4.32Å; Y149-G183 WeakPolarHBondContact CD1-O 3.33Å; Y149-G183 PolarHBondContact O-N 2.84Å |
| 150 | F | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 2% | 0.022 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 119.7 | 166.2 | -177.9 | -86.8 | 0 | 0 | 0 | 110 | M126 V127 G128 L180 R181 D182 A187 Y190 L198 F199 R202 | M126-F150 PolarHBondContact O-N 3.49Å; V127-F150 CarbonylContact C-O 3.42Å; V127-F150 VanDerWaalsContact CA-O 3.22Å; V127-F150 WeakPolarHBondContact CA-O 3.4Å; G128-F150 PolarHBondContact N-O 3.4Å; F150-L180 HydrophobicContact CZ-CD2 4.17Å; F150-R181 CarbonylContact C-O 3.49Å; F150-R181 VanDerWaalsContact CA-O 3.28Å; F150-R181 WeakPolarHBondContact CA-O 3.28Å; F150-R181 WeakPolarHBondContact CD2-O 3.36Å; F150-D182 HydrophobicContact CD2-CB 3.83Å; F150-D182 HydrophobicContact CE2-CB 4.17Å; F150-A187 HydrophobicContact CE2-CB 4.23Å; F150-Y190 HydrophobicContact CE2-CD2 4.26Å; F150-Y190 AromaticContact CE2-CE2 3.63Å; F150-Y190 HydrophobicContact CE2-CE2 3.63Å; F150-Y190 AromaticContact CE2-CZ 3.9Å; F150-Y190 AromaticContact CZ-CD2 3.97Å; F150-Y190 HydrophobicContact CZ-CD2 3.97Å; F150-Y190 HydrophobicContact CZ-CE1 4.3Å; F150-Y190 AromaticContact CZ-CE2 3.7Å; F150-Y190 HydrophobicContact CZ-CE2 3.7Å; F150-Y190 HydrophobicContact CZ-CG 4.37Å; F150-Y190 AromaticContact CZ-CZ 3.88Å; F150-L198 HydrophobicContact CE1-CD1 4.15Å; F150-L198 HydrophobicContact CE1-CD2 3.82Å; F150-L198 HydrophobicContact CE1-CG 3.77Å; F150-L198 HydrophobicContact CZ-CD1 4.13Å; F150-L198 HydrophobicContact CZ-CD2 3.95Å; F150-L198 HydrophobicContact CZ-CG 4.14Å; F150-F199 HydrophobicContact CD1-CD1 4.01Å; F150-F199 HydrophobicContact CD1-CE1 4.06Å; F150-F199 HydrophobicContact CE1-CD1 4.03Å; F150-F199 AromaticContact CE1-CE1 3.92Å; F150-F199 HydrophobicContact CE1-CE1 3.92Å; F150-R202 HydrophobicContact CD1-CB 4.25Å; F150-R202 HydrophobicContact CD1-CG 3.68Å; F150-R202 VanDerWaalsContact CD2-NE 3.32Å; F150-R202 HydrophobicContact CE1-CG 3.82Å; F150-R202 HydrophobicContact CG-CG 4.13Å; F150-R202 HydrophobicContact CZ-CG 4.33Å |
| 151 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.7 | -163.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y149 R181 | Y149-G151 PolarHBondContact OH-O 2.81Å; G151-R181 PolarHBondContact N-O 2.96Å; G151-R181 WeakPolarHBondContact O-CB 3.3Å; G151-R181 PolarHBondContact O-N 2.69Å |
| 152 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -112 | 145.9 | -175.7 | 67.2 | -85.4 | 0 | 0 | 0 | 112.9 | K129 W130 Y149 T154 E157 D179 F199 Q223 | K129-Y152 HydrophobicContact CB-CD1 4.47Å; K129-Y152 HydrophobicContact CB-CE1 3.73Å; K129-Y152 HydrophobicContact CB-CE2 3.81Å; K129-Y152 WeakPolarHBondContact CB-OH 3.41Å; K129-Y152 HydrophobicContact CD-CE2 3.78Å; K129-Y152 VanDerWaalsContact CD-OH 3.28Å; K129-Y152 WeakPolarHBondContact CD-OH 3.31Å; K129-Y152 HydrophobicContact CG-CD2 4.37Å; K129-Y152 HydrophobicContact CG-CE1 4.47Å; K129-Y152 HydrophobicContact CG-CE2 3.6Å; W130-Y152 PolarHBondContact N-O 3.17Å; Y149-Y152 PolarHBondContact OH-N 2.86Å; Y149-Y152 PolarHBondContact OH-O 3.25Å; Y152-T154 WeakPolarHBondContact CD2-O 3.49Å; Y152-T154 WeakPolarHBondContact CE2-O 3.38Å; Y152-E157 VanDerWaalsContact CB-OE2 3.32Å; Y152-E157 WeakPolarHBondContact CB-OE2 3.22Å; Y152-E157 HydrophobicContact CD1-CG 4.3Å; Y152-E157 HydrophobicContact CD2-CG 4.21Å; Y152-E157 HydrophobicContact CE2-CG 4.43Å; Y152-E157 HydrophobicContact CG-CG 4.11Å; Y152-D179 WeakPolarHBondContact CA-O 3.26Å; Y152-D179 WeakPolarHBondContact CB-O 3.46Å; Y152-F199 HydrophobicContact CD1-CE2 4.14Å; Y152-F199 AromaticContact CD1-CZ 3.87Å; Y152-F199 HydrophobicContact CD1-CZ 3.87Å; Y152-F199 AromaticContact CE1-CE2 3.95Å; Y152-F199 HydrophobicContact CE1-CE2 3.95Å; Y152-F199 HydrophobicContact CE1-CZ 4.16Å; Y152-Q223 HydrophobicContact CE1-CB 3.88Å; Y152-Q223 HydrophobicContact CE1-CG 4.22Å; Y152-Q223 WeakPolarHBondContact OH-CA 3.38Å; Y152-Q223 WeakPolarHBondContact OH-CB 3.46Å; Y152-Q223 WeakPolarHBondContact OH-CG 3.31Å | ||
| 153 | L | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -88.7 | -33 | -168.2 | -62.6 | 173 | 0 | 0 | 0 | 113.1 | W130 H131 M134 L140 P141 Y149 D179 R181 | W130-L153 HydrophobicContact CB-CD2 4.27Å; W130-L153 HydrophobicContact CG-CD2 4.5Å; H131-L153 WeakPolarHBondContact CA-O 3.33Å; H131-L153 PolarHBondContact N-O 2.87Å; M134-L153 HydrophobicContact CB-CB 3.91Å; M134-L153 HydrophobicContact CB-CD1 3.95Å; M134-L153 HydrophobicContact CB-CG 4.38Å; M134-L153 HydrophobicContact CG-CB 3.95Å; M134-L153 HydrophobicContact CG-CD1 4.45Å; L140-L153 HydrophobicContact CD2-CD1 3.79Å; L140-L153 HydrophobicContact CD2-CD2 3.92Å; P141-L153 HydrophobicContact CG-CD2 4.49Å; Y149-L153 HydrophobicContact CE1-CD2 3.79Å; L153-D179 WeakPolarHBondContact CB-OD1 3.28Å; L153-D179 PolarHBondContact N-OD1 2.82Å; L153-D179 PolarHBondContact N-OD2 2.87Å; L153-D179 VanDerWaalsContact N-OD2 3.16Å; L153-R181 HydrophobicContact CD1-CG 4.05Å; L153-R181 HydrophobicContact CG-CG 4.14Å |
| 154 | T | 98.5 | Very high | 98.6 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -81.3 | -172.8 | -176.6 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | P100 M134 Y152 S156 D179 W525 | P100-T154 HydrophobicContact CB-CG2 4.22Å; P100-T154 HydrophobicContact CG-CG2 4.22Å; M134-T154 HydrophobicContact CE-CG2 4.11Å; Y152-T154 WeakPolarHBondContact CD2-O 3.49Å; Y152-T154 WeakPolarHBondContact CE2-O 3.38Å; T154-S156 PolarHBondContact OG1-O 3.28Å; T154-D179 WeakPolarHBondContact CB-OD2 3.4Å; T154-D179 WeakPolarHBondContact CG2-OD2 3.44Å; T154-D179 PolarHBondContact N-OD2 3.35Å; T154-D179 PolarHBondContact OG1-OD2 2.94Å; T154-W525 HydrophobicContact CG2-CB 4.4Å |
| 155 | G | 97.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 24.8 Ų | 24.8 | 10% | 0.103 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -84.4 | -17.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K129 H131 | K129-G155 VanDerWaalsContact CE-O 3.26Å; K129-G155 WeakPolarHBondContact CE-O 3.31Å; K129-G155 PolarHBondContact NZ-O 3.09Å; H131-G155 WeakPolarHBondContact CE1-CA 3.28Å; H131-G155 WeakPolarHBondContact ND1-CA 3.31Å; H131-G155 WeakPolarHBondContact NE2-CA 3.21Å |
| 156 | S | 98.1 | Very high | 98.5 | Very high | 19 Ų | 19 | 26 Ų | 26 | 13% | 0.133 | 14% | 0.138 | C | C | . | . | trans | -168.7 | 152 | -175.4 | 60 | 0 | 0 | 0 | 0 | 109.2 | T154 R164 | T154-S156 PolarHBondContact OG1-O 3.28Å; S156-R164 WeakPolarHBondContact O-CD 3.11Å | ||
| 157 | E | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 2% | 0.023 | 16% | 0.164 | C | C | . | . | trans | -151.2 | 178.5 | 172.9 | 59.6 | 174.6 | -158.2 | 0 | 0 | 110.1 | Y152 H162 R164 Q223 P228 | Y152-E157 VanDerWaalsContact CB-OE2 3.32Å; Y152-E157 WeakPolarHBondContact CB-OE2 3.22Å; Y152-E157 HydrophobicContact CD1-CG 4.3Å; Y152-E157 HydrophobicContact CD2-CG 4.21Å; Y152-E157 HydrophobicContact CE2-CG 4.43Å; Y152-E157 HydrophobicContact CG-CG 4.11Å; E157-H162 IonicContact OE1-CG 3.35Å; E157-H162 IonicContact OE1-ND1 3.39Å; E157-H162 PolarHBondContact OE1-ND1 2.97Å; E157-H162 VanDerWaalsContact OE1-ND1 3.1Å; E157-R164 HydrophobicContact CB-CB 4.4Å; E157-Q223 PolarHBondContact O-NE2 2.91Å; E157-P228 WeakPolarHBondContact O-CD 3.39Å | ||
| 158 | D | 98.8 | Very high | 98.3 | Very high | 38 Ų | 38 | 27.5 Ų | 27.5 | 20% | 0.203 | 15% | 0.146 | C | C | . | . | trans | -70.7 | 136.6 | 166.5 | -173.4 | -80.1 | 0 | 0 | 0 | 111 | F160 T161 H162 E163 Q230 | D158-F160 VanDerWaalsContact C-N 3.25Å; D158-F160 PolarHBondContact O-N 3.34Å; D158-F160 WeakPolarHBondContact OD1-CA 3.32Å; D158-F160 PolarHBondContact OD1-N 2.83Å; D158-T161 WeakPolarHBondContact CB-OG1 3.36Å; D158-T161 PolarHBondContact OD1-N 3.44Å; D158-T161 PolarHBondContact OD1-OG1 2.9Å; D158-H162 WeakPolarHBondContact O-CA 3.44Å; D158-H162 PolarHBondContact O-N 2.81Å; D158-H162 VanDerWaalsContact O-N 3.11Å; D158-E163 PolarHBondContact N-O 3.39Å; D158-Q230 PolarHBondContact OD2-NE2 2.92Å; D158-Q230 PolarHBondContact OD2-OE1 2.99Å | ||
| 159 | Y | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.6 | -176.2 | -83.7 | -101.1 | 0 | 0 | 0 | 114.5 | H162 D193 Y194 S195 Q223 A224 H226 P228 Q230 M253 | Y159-H162 PolarHBondContact O-CE1 3.27Å; Y159-D193 VanDerWaalsContact O-O 3.12Å; Y159-Y194 HydrophobicContact CD1-CD2 4Å; Y159-Y194 AromaticContact CD1-CE2 3.23Å; Y159-Y194 HydrophobicContact CD1-CE2 3.23Å; Y159-Y194 AromaticContact CD1-CZ 3.6Å; Y159-Y194 HydrophobicContact CE1-CE2 4.12Å; Y159-Y194 HydrophobicContact CG-CD2 4.27Å; Y159-Y194 AromaticContact CG-CE2 3.61Å; Y159-Y194 HydrophobicContact CG-CE2 3.61Å; Y159-S195 WeakPolarHBondContact CD1-OG 3.49Å; Y159-S195 PolarHBondContact O-N 3.26Å; Y159-Q223 HydrophobicContact CD1-CG 4.26Å; Y159-Q223 HydrophobicContact CD2-CG 4.48Å; Y159-Q223 VanDerWaalsContact CD2-NE2 3.33Å; Y159-Q223 HydrophobicContact CE1-CB 3.97Å; Y159-Q223 HydrophobicContact CE1-CG 3.71Å; Y159-Q223 HydrophobicContact CE2-CG 3.94Å; Y159-Q223 PolarHBondContact OH-O 2.78Å; Y159-Q223 VanDerWaalsContact OH-O 3.06Å; Y159-A224 WeakPolarHBondContact OH-CA 3.49Å; Y159-H226 VanDerWaalsContact CE2-O 3.24Å; Y159-H226 WeakPolarHBondContact CE2-O 3.46Å; Y159-H226 PolarHBondContact OH-N 3.03Å; Y159-H226 PolarHBondContact OH-O 2.96Å; Y159-P228 HydrophobicContact CD2-CG 4.26Å; Y159-P228 WeakPolarHBondContact CE2-O 3.31Å; Y159-Q230 HydrophobicContact CD2-CB 3.93Å; Y159-Q230 HydrophobicContact CG-CB 4.19Å; Y159-M253 HydrophobicContact CD2-CE 4.47Å; Y159-M253 HydrophobicContact CE1-CE 4.06Å; Y159-M253 HydrophobicContact CE2-CE 3.54Å; Y159-M253 WeakPolarHBondContact OH-CE 3.37Å |
| 160 | F | 98.8 | Very high | 98 | Very high | 60 Ų | 60 | 31.6 Ų | 31.6 | 26% | 0.263 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -40.5 | -175 | -65.8 | -85.2 | 0 | 0 | 0 | 112.4 | D158 G192 Y194 Q230 P232 | D158-F160 VanDerWaalsContact C-N 3.25Å; D158-F160 PolarHBondContact O-N 3.34Å; D158-F160 WeakPolarHBondContact OD1-CA 3.32Å; D158-F160 PolarHBondContact OD1-N 2.83Å; F160-G192 PolarHBondContact O-N 2.89Å; F160-Y194 HydrophobicContact CD1-CD2 4.31Å; F160-Y194 HydrophobicContact CD2-CD2 4.41Å; F160-Y194 AromaticContact CE1-CD2 3.79Å; F160-Y194 HydrophobicContact CE1-CD2 3.79Å; F160-Y194 HydrophobicContact CE1-CG 4.16Å; F160-Y194 AromaticContact CE2-CD2 3.9Å; F160-Y194 HydrophobicContact CE2-CD2 3.9Å; F160-Y194 HydrophobicContact CE2-CE2 4.32Å; F160-Y194 AromaticContact CZ-CD2 3.56Å; F160-Y194 HydrophobicContact CZ-CD2 3.56Å; F160-Y194 HydrophobicContact CZ-CE2 4.25Å; F160-Y194 HydrophobicContact CZ-CG 4.26Å; F160-Q230 HydrophobicContact CD2-CB 4.42Å; F160-Q230 HydrophobicContact CE2-CB 4.06Å; F160-P232 HydrophobicContact CE1-CG 4.44Å; F160-P232 HydrophobicContact CZ-CG 4.28Å |
| 161 | T | 98.4 | Very high | 97.9 | Very high | 38 Ų | 38 | 35.1 Ų | 35.1 | 23% | 0.233 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -20.8 | 178.6 | 70.6 | 0 | 0 | 0 | 0 | 112.4 | D158 E163 | D158-T161 WeakPolarHBondContact CB-OG1 3.36Å; D158-T161 PolarHBondContact OD1-N 3.44Å; D158-T161 PolarHBondContact OD1-OG1 2.9Å; T161-E163 PolarHBondContact O-N 3.44Å; T161-E163 WeakPolarHBondContact OG1-CB 3.35Å; T161-E163 PolarHBondContact OG1-N 3.45Å |
| 162 | H | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | trans | 57.7 | 27.1 | -172 | -48.1 | -67 | 0 | 0 | 0 | 112.6 | E157 D158 Y159 L178 D179 L180 Y190 D193 | E157-H162 IonicContact OE1-CG 3.35Å; E157-H162 IonicContact OE1-ND1 3.39Å; E157-H162 PolarHBondContact OE1-ND1 2.97Å; E157-H162 VanDerWaalsContact OE1-ND1 3.1Å; D158-H162 WeakPolarHBondContact O-CA 3.44Å; D158-H162 PolarHBondContact O-N 2.81Å; D158-H162 VanDerWaalsContact O-N 3.11Å; Y159-H162 PolarHBondContact O-CE1 3.27Å; H162-L178 HydrophobicContact CB-CD1 3.75Å; H162-L178 WeakPolarHBondContact O-CD1 3.38Å; H162-D179 PolarHBondContact O-N 3.29Å; H162-L180 HydrophobicContact CB-CB 4.03Å; H162-L180 HydrophobicContact CB-CD2 4.36Å; H162-Y190 PolarHBondContact NE2-O 3.16Å; H162-D193 PolarHBondContact CE1-O 3.29Å; H162-D193 PolarHBondContact NE2-O 2.98Å | ||
| 163 | E | 98.4 | Very high | 97.7 | Very high | 76 Ų | 76 | 45.9 Ų | 45.9 | 36% | 0.355 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 140.8 | 176.3 | -66.9 | 176.2 | 175.8 | 0 | 0 | 110.3 | D158 T161 A177 | D158-E163 PolarHBondContact N-O 3.39Å; T161-E163 PolarHBondContact O-N 3.44Å; T161-E163 WeakPolarHBondContact OG1-CB 3.35Å; T161-E163 PolarHBondContact OG1-N 3.45Å; E163-A177 CarbonylContact C-O 3.45Å; E163-A177 WeakPolarHBondContact CA-O 3.37Å |
| 164 | R | 97.8 | Very high | 97.6 | Very high | 57 Ų | 57 | 49.5 Ų | 49.5 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.3 | 169.8 | 172.9 | 50.5 | 175.5 | 166 | 7.5 | 109.3 | S156 E157 C176 A177 W525 | S156-R164 WeakPolarHBondContact O-CD 3.11Å; E157-R164 HydrophobicContact CB-CB 4.4Å; R164-C176 WeakPolarHBondContact O-CA 3.01Å; R164-A177 PolarHBondContact N-O 3.17Å; R164-A177 PolarHBondContact O-N 2.81Å; R164-A177 VanDerWaalsContact O-N 3.13Å; R164-W525 PolarHBondContact O-NE1 3.28Å |
| 165 | C | 97.3 | Very high | 97.5 | Very high | 56 Ų | 56 | 51.1 Ų | 51.1 | 38% | 0.378 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.8 | 166.5 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | T174 R175 C176 | C165-T174 HydrophobicContact CB-CG2 4.33Å; C165-R175 CarbonylContact C-O 3.55Å; C165-R175 WeakPolarHBondContact CA-O 3.24Å; C165-C176 HydrophobicContact CB-CB 4.1Å; C165-C176 WeakPolarHBondContact CB-SG 2.99Å; C165-C176 WeakPolarHBondContact SG-CB 3.44Å; C165-C176 CovalentContact SG-SG 2.04Å; C165-C176 PolarHBondContact SG-SG 3.48Å |
| 166 | Y | 97.5 | Very high | 97.5 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 13% | 0.129 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 141 | 176.5 | -173.3 | -106.4 | 0 | 0 | 0 | 111.4 | W99 P100 C101 I168 T174 R175 D513 W525 | W99-Y166 HydrophobicContact CB-CE2 4.23Å; W99-Y166 HydrophobicContact CE3-CE2 4.08Å; P100-Y166 HydrophobicContact CB-CD1 4.06Å; P100-Y166 HydrophobicContact CB-CD2 4.26Å; P100-Y166 HydrophobicContact CB-CG 3.92Å; P100-Y166 HydrophobicContact CG-CD1 4.34Å; P100-Y166 HydrophobicContact CG-CD2 3.64Å; P100-Y166 HydrophobicContact CG-CE2 4.13Å; P100-Y166 HydrophobicContact CG-CG 3.75Å; C101-Y166 HydrophobicContact CB-CD1 4.27Å; C101-Y166 HydrophobicContact CB-CE1 3.76Å; Y166-I168 HydrophobicContact CD1-CG1 4.29Å; Y166-I168 PolarHBondContact O-N 3.03Å; Y166-T174 WeakPolarHBondContact O-CA 3.22Å; Y166-R175 PolarHBondContact N-O 3.47Å; Y166-R175 PolarHBondContact O-N 3.29Å; Y166-D513 VanDerWaalsContact CE1-OD2 3.27Å; Y166-D513 WeakPolarHBondContact CE1-OD2 3.5Å; Y166-D513 PolarHBondContact OH-OD1 3.43Å; Y166-D513 PolarHBondContact OH-OD2 3.06Å; Y166-W525 HydrophobicContact CD1-CH2 4.45Å |
| 167 | D | 97.1 | Very high | 97.6 | Very high | 104 Ų | 104 | 52.6 Ų | 52.6 | 56% | 0.556 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 107.3 | 177.5 | -66.4 | -29.8 | 0 | 0 | 0 | 109.5 | A169 T174 | D167-A169 PolarHBondContact O-N 2.77Å; D167-A169 VanDerWaalsContact O-N 3.14Å; D167-T174 VanDerWaalsContact OD1-CB 3.28Å; D167-T174 WeakPolarHBondContact OD1-CB 3.25Å; D167-T174 VanDerWaalsContact OD1-CG2 3.28Å; D167-T174 WeakPolarHBondContact OD1-CG2 3.46Å; D167-T174 PolarHBondContact OD1-OG1 2.86Å |
| 168 | I | 96.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 89.2 | 178.8 | -49.8 | 178.9 | 0 | 0 | 0 | 107.5 | Y166 P170 L171 N172 L173 R175 D518 W525 | Y166-I168 HydrophobicContact CD1-CG1 4.29Å; Y166-I168 PolarHBondContact O-N 3.03Å; I168-P170 VanDerWaalsContact C-CD 3.49Å; I168-L171 HydrophobicContact CB-CB 4.31Å; I168-L171 HydrophobicContact CB-CD1 4.41Å; I168-L171 HydrophobicContact CB-CG 4.5Å; I168-L171 HydrophobicContact CD1-CD1 4.33Å; I168-L171 HydrophobicContact CG2-CB 4.12Å; I168-L171 HydrophobicContact CG2-CD1 3.89Å; I168-L171 HydrophobicContact CG2-CG 3.84Å; I168-L171 PolarHBondContact O-N 3.18Å; I168-N172 PolarHBondContact O-N 3.47Å; I168-N172 VanDerWaalsContact O-N 3.08Å; I168-L173 PolarHBondContact N-O 2.78Å; I168-R175 HydrophobicContact CD1-CB 3.87Å; I168-R175 HydrophobicContact CG1-CB 4.45Å; I168-D518 HydrophobicContact CD1-CB 3.7Å; I168-W525 HydrophobicContact CD1-CH2 4.19Å; I168-W525 HydrophobicContact CG1-CH2 4.46Å |
| 169 | A | 94.8 | Very high | 97.6 | Very high | 77 Ų | 77 | 52 Ų | 52 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -52.7 | -43 | -172 | 0 | 0 | 0 | 0 | 0 | 113.9 | D167 L171 N172 | D167-A169 PolarHBondContact O-N 2.77Å; D167-A169 VanDerWaalsContact O-N 3.14Å; A169-L171 PolarHBondContact O-N 3.47Å; A169-N172 PolarHBondContact O-N 3.19Å; A169-N172 VanDerWaalsContact O-N 3.13Å |
| 170 | P | 96.6 | Very high | 97.6 | Very high | 76 Ų | 76 | 52 Ų | 52 | 49% | 0.494 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -64.3 | -20.8 | 177.5 | -22.7 | 34.1 | 0 | 0 | 0 | 114.9 | I168 D513 P515 | I168-P170 VanDerWaalsContact C-CD 3.49Å; P170-D513 HydrophobicContact CG-CB 4.29Å; P170-P515 HydrophobicContact CB-CB 4.12Å; P170-P515 HydrophobicContact CB-CG 4.24Å |
| 171 | L | 96.4 | Very high | 97.6 | Very high | 78 Ų | 78 | 50.4 Ų | 50.4 | 41% | 0.408 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -99.7 | -7.9 | 177 | -61 | -177.1 | 0 | 0 | 0 | 113.1 | I168 A169 L173 P515 D518 | I168-L171 HydrophobicContact CB-CB 4.31Å; I168-L171 HydrophobicContact CB-CD1 4.41Å; I168-L171 HydrophobicContact CB-CG 4.5Å; I168-L171 HydrophobicContact CD1-CD1 4.33Å; I168-L171 HydrophobicContact CG2-CB 4.12Å; I168-L171 HydrophobicContact CG2-CD1 3.89Å; I168-L171 HydrophobicContact CG2-CG 3.84Å; I168-L171 PolarHBondContact O-N 3.18Å; A169-L171 PolarHBondContact O-N 3.47Å; L171-L173 HydrophobicContact CB-CB 4.17Å; L171-L173 PolarHBondContact O-N 3.11Å; L171-P515 HydrophobicContact CD1-CB 4.35Å; L171-P515 HydrophobicContact CD2-CB 3.85Å; L171-P515 HydrophobicContact CG-CB 3.92Å; L171-D518 HydrophobicContact CD1-CB 3.86Å |
| 172 | N | 96.5 | Very high | 97.6 | Very high | 155 Ų | 155 | 52.2 Ų | 52.2 | 83% | 0.829 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 44.9 | -171.6 | -169.4 | 46 | 0 | 0 | 0 | 112.3 | I168 A169 | I168-N172 PolarHBondContact O-N 3.47Å; I168-N172 VanDerWaalsContact O-N 3.08Å; A169-N172 PolarHBondContact O-N 3.19Å; A169-N172 VanDerWaalsContact O-N 3.13Å |
| 173 | L | 96.3 | Very high | 97.6 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 38% | 0.377 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 135.1 | -174.5 | 175.3 | 66.8 | 0 | 0 | 0 | 110.6 | I168 L171 | I168-L173 PolarHBondContact N-O 2.78Å; L171-L173 HydrophobicContact CB-CB 4.17Å; L171-L173 PolarHBondContact O-N 3.11Å |
| 174 | T | 97.5 | Very high | 97.6 | Very high | 78 Ų | 78 | 51.7 Ų | 51.7 | 48% | 0.479 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.6 | 164.5 | -48.5 | 0 | 0 | 0 | 0 | 109.7 | C165 Y166 D167 | C165-T174 HydrophobicContact CB-CG2 4.33Å; Y166-T174 WeakPolarHBondContact O-CA 3.22Å; D167-T174 VanDerWaalsContact OD1-CB 3.28Å; D167-T174 WeakPolarHBondContact OD1-CB 3.25Å; D167-T174 VanDerWaalsContact OD1-CG2 3.28Å; D167-T174 WeakPolarHBondContact OD1-CG2 3.46Å; D167-T174 PolarHBondContact OD1-OG1 2.86Å |
| 175 | R | 97.6 | Very high | 97.6 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 15% | 0.147 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.1 | 173.8 | -179.7 | 64.4 | 68.8 | -165.8 | 0.8 | 110.5 | C165 Y166 I168 A177 D518 P519 G520 P521 W525 | C165-R175 CarbonylContact C-O 3.55Å; C165-R175 WeakPolarHBondContact CA-O 3.24Å; Y166-R175 PolarHBondContact N-O 3.47Å; Y166-R175 PolarHBondContact O-N 3.29Å; I168-R175 HydrophobicContact CD1-CB 3.87Å; I168-R175 HydrophobicContact CG1-CB 4.45Å; R175-A177 HydrophobicContact CG-CB 4.46Å; R175-D518 IonicContact CZ-OD1 2.74Å; R175-D518 VanDerWaalsContact CZ-OD1 3.32Å; R175-D518 IonicContact CZ-OD2 3.27Å; R175-D518 IonicContact NE-OD1 2.8Å; R175-D518 PolarHBondContact NE-OD1 3.02Å; R175-D518 IonicContact NE-OD2 2.89Å; R175-D518 IonicContact NH2-OD1 3.6Å; R175-D518 PolarHBondContact NH2-OD1 3Å; R175-D518 IonicContact NH2-OD2 3.11Å; R175-D518 PolarHBondContact NH2-OD2 2.9Å; R175-P519 HydrophobicContact CG-CG 3.99Å; R175-G520 WeakPolarHBondContact CD-O 3.37Å; R175-G520 VanDerWaalsContact CZ-C 3.44Å; R175-P521 VanDerWaalsContact NH1-CA 3.26Å; R175-P521 VanDerWaalsContact NH1-N 3.18Å; R175-W525 HydrophobicContact CB-CH2 4.4Å; R175-W525 HydrophobicContact CB-CZ2 4.25Å; R175-W525 HydrophobicContact CG-CZ2 4.21Å |
| 176 | C | 97.7 | Very high | 97.7 | Very high | 56 Ų | 56 | 56.3 Ų | 56.3 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.7 | 164.9 | -54.6 | 0 | 0 | 0 | 0 | 109.2 | R164 C165 | R164-C176 WeakPolarHBondContact O-CA 3.01Å; C165-C176 HydrophobicContact CB-CB 4.1Å; C165-C176 WeakPolarHBondContact CB-SG 2.99Å; C165-C176 WeakPolarHBondContact SG-CB 3.44Å; C165-C176 CovalentContact SG-SG 2.04Å; C165-C176 PolarHBondContact SG-SG 3.48Å |
| 177 | A | 98.3 | Very high | 97.7 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 156.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | E163 R164 R175 P519 W525 | E163-A177 CarbonylContact C-O 3.45Å; E163-A177 WeakPolarHBondContact CA-O 3.37Å; R164-A177 PolarHBondContact N-O 3.17Å; R164-A177 PolarHBondContact O-N 2.81Å; R164-A177 VanDerWaalsContact O-N 3.13Å; R175-A177 HydrophobicContact CG-CB 4.46Å; A177-P519 HydrophobicContact CB-CB 4.35Å; A177-P519 HydrophobicContact CB-CG 3.48Å; A177-P519 VanDerWaalsContact CB-CG 3.48Å; A177-W525 HydrophobicContact CB-CG 4.5Å |
| 178 | L | 98.6 | Very high | 97.6 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 139.8 | 175.9 | 176.9 | 63.5 | 0 | 0 | 0 | 110.7 | H162 L180 V186 A188 A524 W525 | H162-L178 HydrophobicContact CB-CD1 3.75Å; H162-L178 WeakPolarHBondContact O-CD1 3.38Å; L178-L180 HydrophobicContact CD1-CB 3.93Å; L178-V186 HydrophobicContact CD2-CG1 3.4Å; L178-V186 VanDerWaalsContact CD2-CG1 3.4Å; L178-V186 HydrophobicContact CG-CG1 4.3Å; L178-A188 HydrophobicContact CD2-CB 3.9Å; L178-A524 HydrophobicContact CB-CB 4.23Å; L178-A524 CarbonylContact O-C 3.4Å; L178-A524 WeakPolarHBondContact O-CA 3.45Å; L178-A524 VanDerWaalsContact O-CB 3.26Å; L178-A524 WeakPolarHBondContact O-CB 3.49Å; L178-W525 PolarHBondContact O-N 3.21Å |
| 179 | D | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -130.3 | 57.3 | 172 | -177 | 20.7 | 0 | 0 | 0 | 110.7 | Y152 L153 T154 H162 W525 | Y152-D179 WeakPolarHBondContact CA-O 3.26Å; Y152-D179 WeakPolarHBondContact CB-O 3.46Å; L153-D179 WeakPolarHBondContact CB-OD1 3.28Å; L153-D179 PolarHBondContact N-OD1 2.82Å; L153-D179 PolarHBondContact N-OD2 2.87Å; L153-D179 VanDerWaalsContact N-OD2 3.16Å; T154-D179 WeakPolarHBondContact CB-OD2 3.4Å; T154-D179 WeakPolarHBondContact CG2-OD2 3.44Å; T154-D179 PolarHBondContact N-OD2 3.35Å; T154-D179 PolarHBondContact OG1-OD2 2.94Å; H162-D179 PolarHBondContact O-N 3.29Å; D179-W525 HydrophobicContact CB-CB 4.17Å | ||
| 180 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -128.1 | 135.9 | 175.1 | -160.7 | 71 | 0 | 0 | 0 | 111.3 | F150 H162 L178 A187 Y190 L198 F199 | F150-L180 HydrophobicContact CZ-CD2 4.17Å; H162-L180 HydrophobicContact CB-CB 4.03Å; H162-L180 HydrophobicContact CB-CD2 4.36Å; L178-L180 HydrophobicContact CD1-CB 3.93Å; L180-A187 HydrophobicContact CB-CB 4.2Å; L180-A187 HydrophobicContact CD2-CB 4.04Å; L180-A187 HydrophobicContact CG-CB 3.95Å; L180-A187 PolarHBondContact O-N 3.33Å; L180-Y190 HydrophobicContact CD2-CD2 3.85Å; L180-Y190 HydrophobicContact CD2-CG 4.07Å; L180-L198 HydrophobicContact CD2-CD2 4.16Å; L180-F199 HydrophobicContact CD1-CE1 4.12Å; L180-F199 HydrophobicContact CD1-CZ 4.26Å | ||
| 181 | R | 98.8 | Very high | 97.8 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.9 | -174.1 | -57.4 | -64.9 | 179.6 | 164 | -10.8 | 112.9 | Y149 F150 G151 L153 E184 E185 W525 | Y149-R181 HydrophobicContact CD1-CB 4.18Å; Y149-R181 HydrophobicContact CE1-CB 3.77Å; Y149-R181 HydrophobicContact CE1-CG 4.32Å; F150-R181 CarbonylContact C-O 3.49Å; F150-R181 VanDerWaalsContact CA-O 3.28Å; F150-R181 WeakPolarHBondContact CA-O 3.28Å; F150-R181 WeakPolarHBondContact CD2-O 3.36Å; G151-R181 PolarHBondContact N-O 2.96Å; G151-R181 WeakPolarHBondContact O-CB 3.3Å; G151-R181 PolarHBondContact O-N 2.69Å; L153-R181 HydrophobicContact CD1-CG 4.05Å; L153-R181 HydrophobicContact CG-CG 4.14Å; R181-E184 PolarHBondContact NH1-O 3.02Å; R181-E185 CarbonylContact C-O 3.49Å; R181-E185 WeakPolarHBondContact CA-O 3.31Å; R181-E185 WeakPolarHBondContact CD-O 3.48Å; R181-W525 PolarHBondContact NH2-O 2.7Å |
| 182 | D | 98.7 | Very high | 97.9 | Very high | 75 Ų | 75 | 58.7 Ų | 58.7 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 106 | 163 | -166.1 | 4.2 | 0 | 0 | 0 | 108 | F150 E184 E185 A187 R202 | F150-D182 HydrophobicContact CD2-CB 3.83Å; F150-D182 HydrophobicContact CE2-CB 4.17Å; D182-E184 PolarHBondContact O-N 3.43Å; D182-E185 PolarHBondContact N-O 3.07Å; D182-E185 PolarHBondContact O-N 3.28Å; D182-A187 HydrophobicContact CB-CB 4.33Å; D182-R202 IonicContact OD1-NH2 3.31Å; D182-R202 PolarHBondContact OD1-NH2 3.1Å; D182-R202 IonicContact OD2-CZ 2.87Å; D182-R202 IonicContact OD2-NH2 3.18Å; D182-R202 PolarHBondContact OD2-NH2 3.1Å |
| 183 | G | 98.6 | Very high | 98 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -119.8 | -159.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y149 | Y149-G183 WeakPolarHBondContact CD1-O 3.33Å; Y149-G183 PolarHBondContact O-N 2.84Å |
| 184 | E | 98.5 | Very high | 98.1 | Very high | 44 Ų | 44 | 51.9 Ų | 51.9 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -8.8 | 174.8 | -62.6 | -175.1 | 178.5 | 0 | 0 | 112.5 | L140 T142 R143 R181 D182 | L140-E184 HydrophobicContact CD1-CG 3.94Å; T142-E184 HydrophobicContact CG2-CG 4.21Å; T142-E184 WeakPolarHBondContact OG1-CG 3.38Å; T142-E184 PolarHBondContact OG1-OE1 2.77Å; R143-E184 IonicContact CZ-OE1 3.72Å; R143-E184 VanDerWaalsContact CZ-OE1 3.31Å; R143-E184 IonicContact CZ-OE2 2.83Å; R143-E184 IonicContact NE-OE1 2.74Å; R143-E184 PolarHBondContact NE-OE1 2.77Å; R143-E184 IonicContact NE-OE2 2.65Å; R143-E184 IonicContact NH2-OE1 3.13Å; R143-E184 PolarHBondContact NH2-OE1 3.38Å; R143-E184 IonicContact NH2-OE2 3.84Å; R143-E184 PolarHBondContact NH2-OE2 2.76Å; R181-E184 PolarHBondContact NH1-O 3.02Å; D182-E184 PolarHBondContact O-N 3.43Å |
| 185 | E | 98.6 | Very high | 98.2 | Very high | 143 Ų | 143 | 48.1 Ų | 48.1 | 67% | 0.668 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 152.3 | -176.9 | -59.8 | -54.9 | 142.4 | 0 | 0 | 111.6 | R181 D182 | R181-E185 CarbonylContact C-O 3.49Å; R181-E185 WeakPolarHBondContact CA-O 3.31Å; R181-E185 WeakPolarHBondContact CD-O 3.48Å; D182-E185 PolarHBondContact N-O 3.07Å; D182-E185 PolarHBondContact O-N 3.28Å |
| 186 | V | 98.4 | Very high | 98.2 | Very high | 68 Ų | 68 | 46.3 Ų | 46.3 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 126.6 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | L178 A188 A524 | L178-V186 HydrophobicContact CD2-CG1 3.4Å; L178-V186 VanDerWaalsContact CD2-CG1 3.4Å; L178-V186 HydrophobicContact CG-CG1 4.3Å; V186-A188 HydrophobicContact CG1-CB 4.41Å; V186-A188 PolarHBondContact O-N 3.09Å; V186-A524 HydrophobicContact CG1-CB 3.93Å; V186-A524 HydrophobicContact CG2-CB 3.72Å |
| 187 | A | 98.1 | Very high | 98.3 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | trans | -96.4 | 66.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F150 L180 D182 A189 Y190 | F150-A187 HydrophobicContact CE2-CB 4.23Å; L180-A187 HydrophobicContact CB-CB 4.2Å; L180-A187 HydrophobicContact CD2-CB 4.04Å; L180-A187 HydrophobicContact CG-CB 3.95Å; L180-A187 PolarHBondContact O-N 3.33Å; D182-A187 HydrophobicContact CB-CB 4.33Å; A187-A189 VanDerWaalsContact C-N 3.28Å; A187-A189 PolarHBondContact O-N 3.5Å; A187-Y190 HydrophobicContact CB-CD2 3.88Å; A187-Y190 HydrophobicContact CB-CE2 3.95Å; A187-Y190 WeakPolarHBondContact O-CD2 3.22Å | ||
| 188 | A | 96.1 | Very high | 98.3 | Very high | 70 Ų | 70 | 45.5 Ų | 45.5 | 58% | 0.579 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -73.9 | -11.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L178 V186 Y190 | L178-A188 HydrophobicContact CD2-CB 3.9Å; V186-A188 HydrophobicContact CG1-CB 4.41Å; V186-A188 PolarHBondContact O-N 3.09Å; A188-Y190 VanDerWaalsContact C-N 3.27Å; A188-Y190 PolarHBondContact O-N 2.93Å |
| 189 | A | 97.1 | Very high | 98.3 | Very high | 92 Ų | 92 | 44.1 Ų | 44.1 | 76% | 0.76 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -78.6 | -2.8 | -172 | 0 | 0 | 0 | 0 | 0 | 114.9 | A187 | A187-A189 VanDerWaalsContact C-N 3.28Å; A187-A189 PolarHBondContact O-N 3.5Å |
| 190 | Y | 97.9 | Very high | 98.3 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -103.8 | 12 | -168.4 | -62.9 | -77.9 | 0 | 0 | 0 | 114.3 | F150 H162 L180 A187 A188 G192 D193 L198 | F150-Y190 HydrophobicContact CE2-CD2 4.26Å; F150-Y190 AromaticContact CE2-CE2 3.63Å; F150-Y190 HydrophobicContact CE2-CE2 3.63Å; F150-Y190 AromaticContact CE2-CZ 3.9Å; F150-Y190 AromaticContact CZ-CD2 3.97Å; F150-Y190 HydrophobicContact CZ-CD2 3.97Å; F150-Y190 HydrophobicContact CZ-CE1 4.3Å; F150-Y190 AromaticContact CZ-CE2 3.7Å; F150-Y190 HydrophobicContact CZ-CE2 3.7Å; F150-Y190 HydrophobicContact CZ-CG 4.37Å; F150-Y190 AromaticContact CZ-CZ 3.88Å; H162-Y190 PolarHBondContact NE2-O 3.16Å; L180-Y190 HydrophobicContact CD2-CD2 3.85Å; L180-Y190 HydrophobicContact CD2-CG 4.07Å; A187-Y190 HydrophobicContact CB-CD2 3.88Å; A187-Y190 HydrophobicContact CB-CE2 3.95Å; A187-Y190 WeakPolarHBondContact O-CD2 3.22Å; A188-Y190 VanDerWaalsContact C-N 3.27Å; A188-Y190 PolarHBondContact O-N 2.93Å; Y190-G192 PolarHBondContact O-N 2.91Å; Y190-D193 WeakPolarHBondContact CD1-OD2 3.38Å; Y190-D193 WeakPolarHBondContact O-CB 3.29Å; Y190-D193 PolarHBondContact O-N 3.44Å; Y190-L198 HydrophobicContact CD1-CD1 3.49Å; Y190-L198 VanDerWaalsContact CD1-CD1 3.49Å; Y190-L198 HydrophobicContact CD1-CD2 3.9Å; Y190-L198 HydrophobicContact CD1-CG 4.35Å; Y190-L198 HydrophobicContact CE1-CD1 3.62Å; Y190-L198 HydrophobicContact CG-CD1 4.34Å; Y190-L198 HydrophobicContact CG-CD2 3.95Å |
| 191 | K | 97.3 | Very high | 98.3 | Very high | 150 Ų | 150 | 50.3 Ų | 50.3 | 65% | 0.652 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 123.4 | 178 | -177.4 | 171.5 | -175.7 | 161.1 | 0 | 110.9 | ||
| 192 | G | 97.8 | Very high | 98.3 | Very high | 47 Ų | 47 | 52 Ų | 52 | 49% | 0.485 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | -9.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F160 Y190 | F160-G192 PolarHBondContact O-N 2.89Å; Y190-G192 PolarHBondContact O-N 2.91Å |
| 193 | D | 98.5 | Very high | 98.4 | Very high | 75 Ų | 75 | 48.4 Ų | 48.4 | 40% | 0.401 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -82.3 | 131.2 | 174.7 | -67.4 | -24.9 | 0 | 0 | 0 | 109.9 | Y159 H162 Y190 S195 | Y159-D193 VanDerWaalsContact O-O 3.12Å; H162-D193 PolarHBondContact CE1-O 3.29Å; H162-D193 PolarHBondContact NE2-O 2.98Å; Y190-D193 WeakPolarHBondContact CD1-OD2 3.38Å; Y190-D193 WeakPolarHBondContact O-CB 3.29Å; Y190-D193 PolarHBondContact O-N 3.44Å; D193-S195 PolarHBondContact O-N 3.04Å |
| 194 | Y | 98.9 | Very high | 98.4 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | trans | -72.6 | 120.2 | 178 | -174.4 | -121.4 | 0 | 0 | 0 | 110.6 | Y159 F160 T196 E197 L198 Q230 V231 P232 A256 | Y159-Y194 HydrophobicContact CD1-CD2 4Å; Y159-Y194 AromaticContact CD1-CE2 3.23Å; Y159-Y194 HydrophobicContact CD1-CE2 3.23Å; Y159-Y194 AromaticContact CD1-CZ 3.6Å; Y159-Y194 HydrophobicContact CE1-CE2 4.12Å; Y159-Y194 HydrophobicContact CG-CD2 4.27Å; Y159-Y194 AromaticContact CG-CE2 3.61Å; Y159-Y194 HydrophobicContact CG-CE2 3.61Å; F160-Y194 HydrophobicContact CD1-CD2 4.31Å; F160-Y194 HydrophobicContact CD2-CD2 4.41Å; F160-Y194 AromaticContact CE1-CD2 3.79Å; F160-Y194 HydrophobicContact CE1-CD2 3.79Å; F160-Y194 HydrophobicContact CE1-CG 4.16Å; F160-Y194 AromaticContact CE2-CD2 3.9Å; F160-Y194 HydrophobicContact CE2-CD2 3.9Å; F160-Y194 HydrophobicContact CE2-CE2 4.32Å; F160-Y194 AromaticContact CZ-CD2 3.56Å; F160-Y194 HydrophobicContact CZ-CD2 3.56Å; F160-Y194 HydrophobicContact CZ-CE2 4.25Å; F160-Y194 HydrophobicContact CZ-CG 4.26Å; Y194-T196 VanDerWaalsContact C-N 3.3Å; Y194-T196 VanDerWaalsContact CE1-CB 3.49Å; Y194-T196 HydrophobicContact CE1-CG2 4.46Å; Y194-T196 WeakPolarHBondContact CE1-OG1 3.2Å; Y194-T196 PolarHBondContact O-N 3.47Å; Y194-T196 VanDerWaalsContact O-N 3.15Å; Y194-E197 HydrophobicContact CD1-CG 4.13Å; Y194-E197 PolarHBondContact O-N 2.83Å; Y194-L198 PolarHBondContact O-N 2.93Å; Y194-Q230 WeakPolarHBondContact CE2-O 3.49Å; Y194-Q230 PolarHBondContact OH-O 3.44Å; Y194-V231 HydrophobicContact CE1-CG2 4.4Å; Y194-P232 HydrophobicContact CD1-CG 3.99Å; Y194-P232 HydrophobicContact CD2-CG 4.44Å; Y194-P232 HydrophobicContact CG-CG 3.94Å; Y194-A256 HydrophobicContact CE1-CB 3.98Å | ||
| 195 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.4 | -39 | -169.5 | 71.4 | 0 | 0 | 0 | 0 | 114.4 | Y159 D193 E197 L198 F199 Q223 | Y159-S195 WeakPolarHBondContact CD1-OG 3.49Å; Y159-S195 PolarHBondContact O-N 3.26Å; D193-S195 PolarHBondContact O-N 3.04Å; S195-E197 VanDerWaalsContact C-N 3.34Å; S195-E197 PolarHBondContact O-N 3.21Å; S195-L198 PolarHBondContact O-N 3.13Å; S195-F199 WeakPolarHBondContact O-CB 3.5Å; S195-F199 WeakPolarHBondContact O-CD2 3.36Å; S195-F199 WeakPolarHBondContact O-CG 3.3Å; S195-F199 PolarHBondContact O-N 3.4Å; S195-Q223 PolarHBondContact OG-OE1 3.4Å |
| 196 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 178.2 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | Y194 S200 A224 A256 A260 | Y194-T196 VanDerWaalsContact C-N 3.3Å; Y194-T196 VanDerWaalsContact CE1-CB 3.49Å; Y194-T196 HydrophobicContact CE1-CG2 4.46Å; Y194-T196 WeakPolarHBondContact CE1-OG1 3.2Å; Y194-T196 PolarHBondContact O-N 3.47Å; Y194-T196 VanDerWaalsContact O-N 3.15Å; T196-S200 WeakPolarHBondContact O-CB 3.4Å; T196-S200 PolarHBondContact O-N 3.32Å; T196-A224 HydrophobicContact CG2-CB 4.05Å; T196-A256 HydrophobicContact CG2-CB 4.32Å; T196-A260 HydrophobicContact CG2-CB 4.17Å |
| 197 | E | 98.8 | Very high | 98.4 | Very high | 40 Ų | 40 | 39.5 Ų | 39.5 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.6 | -40 | 178.3 | -72.3 | 176.9 | 175.2 | 0 | 0 | 111 | Y194 S195 S200 Q201 R234 Y235 | Y194-E197 HydrophobicContact CD1-CG 4.13Å; Y194-E197 PolarHBondContact O-N 2.83Å; S195-E197 VanDerWaalsContact C-N 3.34Å; S195-E197 PolarHBondContact O-N 3.21Å; E197-S200 WeakPolarHBondContact O-CB 3.34Å; E197-S200 PolarHBondContact O-N 3.22Å; E197-Q201 WeakPolarHBondContact O-CB 3.46Å; E197-Q201 WeakPolarHBondContact O-CG 3.49Å; E197-Q201 PolarHBondContact O-N 3.33Å; E197-R234 IonicContact OE1-CZ 3.69Å; E197-R234 IonicContact OE1-NE 3.7Å; E197-R234 IonicContact OE1-NH2 2.81Å; E197-R234 PolarHBondContact OE1-NH2 2.8Å; E197-R234 IonicContact OE2-NH2 3.17Å; E197-R234 PolarHBondContact OE2-NH2 2.87Å; E197-Y235 VanDerWaalsContact OE1-CE2 3.3Å; E197-Y235 WeakPolarHBondContact OE1-CE2 3.49Å; E197-Y235 PolarHBondContact OE1-OH 2.97Å |
| 198 | L | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.3 | -50.3 | 174.2 | 177.3 | 59.7 | 0 | 0 | 0 | 111.2 | F150 L180 Y190 Y194 S195 S200 Q201 R202 | F150-L198 HydrophobicContact CE1-CD1 4.15Å; F150-L198 HydrophobicContact CE1-CD2 3.82Å; F150-L198 HydrophobicContact CE1-CG 3.77Å; F150-L198 HydrophobicContact CZ-CD1 4.13Å; F150-L198 HydrophobicContact CZ-CD2 3.95Å; F150-L198 HydrophobicContact CZ-CG 4.14Å; L180-L198 HydrophobicContact CD2-CD2 4.16Å; Y190-L198 HydrophobicContact CD1-CD1 3.49Å; Y190-L198 VanDerWaalsContact CD1-CD1 3.49Å; Y190-L198 HydrophobicContact CD1-CD2 3.9Å; Y190-L198 HydrophobicContact CD1-CG 4.35Å; Y190-L198 HydrophobicContact CE1-CD1 3.62Å; Y190-L198 HydrophobicContact CG-CD1 4.34Å; Y190-L198 HydrophobicContact CG-CD2 3.95Å; Y194-L198 PolarHBondContact O-N 2.93Å; S195-L198 PolarHBondContact O-N 3.13Å; L198-S200 PolarHBondContact O-N 3.34Å; L198-Q201 PolarHBondContact O-N 2.94Å; L198-R202 HydrophobicContact CD1-CG 4.32Å; L198-R202 VanDerWaalsContact O-CG 3.25Å; L198-R202 WeakPolarHBondContact O-CG 3.36Å; L198-R202 PolarHBondContact O-N 3.25Å |
| 199 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 178.2 | -62.1 | -25.4 | 0 | 0 | 0 | 112.3 | V127 F150 Y152 L180 S195 R202 A203 L222 Q223 | V127-F199 HydrophobicContact CG1-CB 3.73Å; V127-F199 HydrophobicContact CG1-CD1 3.89Å; V127-F199 HydrophobicContact CG1-CG 4.05Å; F150-F199 HydrophobicContact CD1-CD1 4.01Å; F150-F199 HydrophobicContact CD1-CE1 4.06Å; F150-F199 HydrophobicContact CE1-CD1 4.03Å; F150-F199 AromaticContact CE1-CE1 3.92Å; F150-F199 HydrophobicContact CE1-CE1 3.92Å; Y152-F199 HydrophobicContact CD1-CE2 4.14Å; Y152-F199 AromaticContact CD1-CZ 3.87Å; Y152-F199 HydrophobicContact CD1-CZ 3.87Å; Y152-F199 AromaticContact CE1-CE2 3.95Å; Y152-F199 HydrophobicContact CE1-CE2 3.95Å; Y152-F199 HydrophobicContact CE1-CZ 4.16Å; L180-F199 HydrophobicContact CD1-CE1 4.12Å; L180-F199 HydrophobicContact CD1-CZ 4.26Å; S195-F199 WeakPolarHBondContact O-CB 3.5Å; S195-F199 WeakPolarHBondContact O-CD2 3.36Å; S195-F199 WeakPolarHBondContact O-CG 3.3Å; S195-F199 PolarHBondContact O-N 3.4Å; F199-R202 PolarHBondContact O-N 3.32Å; F199-A203 WeakPolarHBondContact O-CB 3.34Å; F199-A203 PolarHBondContact O-N 2.89Å; F199-L222 HydrophobicContact CB-CD2 3.95Å; F199-Q223 HydrophobicContact CE2-CB 4.23Å |
| 200 | S | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.5 | -50.2 | 170.7 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | T196 E197 L198 R202 A203 V204 | T196-S200 WeakPolarHBondContact O-CB 3.4Å; T196-S200 PolarHBondContact O-N 3.32Å; E197-S200 WeakPolarHBondContact O-CB 3.34Å; E197-S200 PolarHBondContact O-N 3.22Å; L198-S200 PolarHBondContact O-N 3.34Å; S200-R202 VanDerWaalsContact C-N 3.33Å; S200-R202 PolarHBondContact O-N 2.78Å; S200-A203 PolarHBondContact O-N 2.88Å; S200-V204 WeakPolarHBondContact O-CG2 3.46Å; S200-V204 PolarHBondContact O-N 2.83Å |
| 201 | Q | 98.9 | Very high | 98.3 | Very high | 125 Ų | 125 | 48 Ų | 48 | 58% | 0.584 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.1 | -39.7 | 179.2 | -70.8 | 169.8 | 21.6 | 0 | 0 | 112.1 | E197 L198 S205 | E197-Q201 WeakPolarHBondContact O-CB 3.46Å; E197-Q201 WeakPolarHBondContact O-CG 3.49Å; E197-Q201 PolarHBondContact O-N 3.33Å; L198-Q201 PolarHBondContact O-N 2.94Å; Q201-S205 VanDerWaalsContact O-CB 3.31Å; Q201-S205 WeakPolarHBondContact O-CB 3.47Å; Q201-S205 PolarHBondContact O-N 2.99Å |
| 202 | R | 98.8 | Very high | 97.9 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 23% | 0.234 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.8 | -41.9 | 177.7 | -63.2 | -68.4 | -87.7 | -171.7 | 0.2 | 111.6 | V127 F150 D182 L198 F199 S200 S205 V206 | V127-R202 HydrophobicContact CG1-CB 3.93Å; V127-R202 HydrophobicContact CG2-CB 4.38Å; F150-R202 HydrophobicContact CD1-CB 4.25Å; F150-R202 HydrophobicContact CD1-CG 3.68Å; F150-R202 VanDerWaalsContact CD2-NE 3.32Å; F150-R202 HydrophobicContact CE1-CG 3.82Å; F150-R202 HydrophobicContact CG-CG 4.13Å; F150-R202 HydrophobicContact CZ-CG 4.33Å; D182-R202 IonicContact OD1-NH2 3.31Å; D182-R202 PolarHBondContact OD1-NH2 3.1Å; D182-R202 IonicContact OD2-CZ 2.87Å; D182-R202 IonicContact OD2-NH2 3.18Å; D182-R202 PolarHBondContact OD2-NH2 3.1Å; L198-R202 HydrophobicContact CD1-CG 4.32Å; L198-R202 VanDerWaalsContact O-CG 3.25Å; L198-R202 WeakPolarHBondContact O-CG 3.36Å; L198-R202 PolarHBondContact O-N 3.25Å; F199-R202 PolarHBondContact O-N 3.32Å; S200-R202 VanDerWaalsContact C-N 3.33Å; S200-R202 PolarHBondContact O-N 2.78Å; R202-S205 WeakPolarHBondContact O-CB 3.17Å; R202-S205 PolarHBondContact O-N 2.84Å; R202-V206 WeakPolarHBondContact O-CG2 3.31Å; R202-V206 PolarHBondContact O-N 2.88Å |
| 203 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F199 S200 S205 V206 I207 L218 V220 I264 | F199-A203 WeakPolarHBondContact O-CB 3.34Å; F199-A203 PolarHBondContact O-N 2.89Å; S200-A203 PolarHBondContact O-N 2.88Å; A203-S205 VanDerWaalsContact C-N 3.32Å; A203-S205 PolarHBondContact O-N 3.07Å; A203-V206 WeakPolarHBondContact O-CB 3.39Å; A203-V206 PolarHBondContact O-N 3.27Å; A203-I207 WeakPolarHBondContact O-CG1 3.33Å; A203-I207 PolarHBondContact O-N 3.03Å; A203-L218 HydrophobicContact CB-CD2 4.2Å; A203-V220 HydrophobicContact CB-CG1 4.45Å; A203-V220 HydrophobicContact CB-CG2 4Å; A203-I264 HydrophobicContact CB-CD1 3.91Å; A203-I264 HydrophobicContact CB-CG1 3.89Å |
| 204 | V | 98.9 | Very high | 97.2 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 15% | 0.152 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.1 | -40.7 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | S200 V206 I207 K208 N263 A267 | S200-V204 WeakPolarHBondContact O-CG2 3.46Å; S200-V204 PolarHBondContact O-N 2.83Å; V204-V206 PolarHBondContact O-N 2.87Å; V204-I207 PolarHBondContact O-N 2.91Å; V204-K208 HydrophobicContact CG1-CD 4.02Å; V204-K208 HydrophobicContact CG1-CG 4.31Å; V204-K208 WeakPolarHBondContact O-CG 3.35Å; V204-K208 PolarHBondContact O-N 3.39Å; V204-N263 HydrophobicContact CG2-CB 4.29Å; V204-A267 HydrophobicContact CB-CB 4.32Å; V204-A267 HydrophobicContact CG1-CB 3.91Å; V204-A267 HydrophobicContact CG2-CB 3.95Å |
| 205 | S | 98.8 | Very high | 97.2 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 26% | 0.259 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 176.4 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | Q201 R202 A203 K208 K209 | Q201-S205 VanDerWaalsContact O-CB 3.31Å; Q201-S205 WeakPolarHBondContact O-CB 3.47Å; Q201-S205 PolarHBondContact O-N 2.99Å; R202-S205 WeakPolarHBondContact O-CB 3.17Å; R202-S205 PolarHBondContact O-N 2.84Å; A203-S205 VanDerWaalsContact C-N 3.32Å; A203-S205 PolarHBondContact O-N 3.07Å; S205-K208 PolarHBondContact O-N 2.7Å; S205-K209 WeakPolarHBondContact O-CB 3.25Å; S205-K209 VanDerWaalsContact O-CG 3.29Å; S205-K209 WeakPolarHBondContact O-CG 3.36Å; S205-K209 PolarHBondContact O-N 3.34Å; S205-K209 WeakPolarHBondContact OG-CE 3.42Å; S205-K209 PolarHBondContact OG-NZ 3.46Å |
| 206 | V | 98.8 | Very high | 97.2 | Very high | 26 Ų | 26 | 49.4 Ų | 49.4 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | 173.2 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | H125 R202 A203 V204 K208 K209 H210 L216 L218 | H125-V206 HydrophobicContact CB-CG1 3.79Å; H125-V206 HydrophobicContact CB-CG2 4.43Å; R202-V206 WeakPolarHBondContact O-CG2 3.31Å; R202-V206 PolarHBondContact O-N 2.88Å; A203-V206 WeakPolarHBondContact O-CB 3.39Å; A203-V206 PolarHBondContact O-N 3.27Å; V204-V206 PolarHBondContact O-N 2.87Å; V206-K208 PolarHBondContact O-N 2.96Å; V206-K209 PolarHBondContact O-N 3.2Å; V206-H210 WeakPolarHBondContact O-CB 3.26Å; V206-H210 PolarHBondContact O-N 2.72Å; V206-L216 HydrophobicContact CG1-CD1 4.19Å; V206-L218 HydrophobicContact CG1-CD1 4.22Å |
| 207 | I | 98.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 179.2 | -71.4 | 159.7 | 0 | 0 | 0 | 111.3 | A203 V204 K209 H210 L216 L218 I264 A267 L268 E271 L273 | A203-I207 WeakPolarHBondContact O-CG1 3.33Å; A203-I207 PolarHBondContact O-N 3.03Å; V204-I207 PolarHBondContact O-N 2.91Å; I207-K209 VanDerWaalsContact C-N 3.31Å; I207-K209 PolarHBondContact O-N 3.3Å; I207-H210 VanDerWaalsContact O-CB 3.32Å; I207-H210 WeakPolarHBondContact O-CB 3.39Å; I207-H210 PolarHBondContact O-N 3.02Å; I207-L216 HydrophobicContact CG1-CD2 4.25Å; I207-L218 HydrophobicContact CD1-CD2 3.97Å; I207-L218 HydrophobicContact CG1-CD2 3.96Å; I207-I264 HydrophobicContact CD1-CG2 3.91Å; I207-A267 HydrophobicContact CB-CB 4.44Å; I207-A267 HydrophobicContact CD1-CB 4.29Å; I207-A267 HydrophobicContact CG2-CB 3.99Å; I207-L268 HydrophobicContact CD1-CD2 4.01Å; I207-L268 HydrophobicContact CD1-CG 3.94Å; I207-L268 HydrophobicContact CG1-CD2 4.04Å; I207-L268 HydrophobicContact CG1-CG 4.49Å; I207-L268 HydrophobicContact CG2-CD2 4.18Å; I207-E271 HydrophobicContact CG2-CB 4.27Å; I207-E271 HydrophobicContact CG2-CG 4Å; I207-L273 HydrophobicContact CG2-CD1 4.15Å |
| 208 | K | 98.6 | Very high | 97.2 | Very high | 109 Ų | 109 | 47.6 Ų | 47.6 | 47% | 0.474 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.5 | -31.6 | -179.5 | -71.4 | -174.3 | 170.1 | -176.9 | 0 | 114.1 | V204 S205 V206 E271 | V204-K208 HydrophobicContact CG1-CD 4.02Å; V204-K208 HydrophobicContact CG1-CG 4.31Å; V204-K208 WeakPolarHBondContact O-CG 3.35Å; V204-K208 PolarHBondContact O-N 3.39Å; S205-K208 PolarHBondContact O-N 2.7Å; V206-K208 PolarHBondContact O-N 2.96Å; K208-E271 HydrophobicContact CG-CG 4.08Å |
| 209 | K | 98 | Very high | 97.2 | Very high | 165 Ų | 165 | 47.4 Ų | 47.4 | 72% | 0.717 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -91.6 | -4 | 179.7 | -66.7 | 175.9 | -175.8 | 178.4 | 0 | 112.7 | S205 V206 I207 N211 | S205-K209 WeakPolarHBondContact O-CB 3.25Å; S205-K209 VanDerWaalsContact O-CG 3.29Å; S205-K209 WeakPolarHBondContact O-CG 3.36Å; S205-K209 PolarHBondContact O-N 3.34Å; S205-K209 WeakPolarHBondContact OG-CE 3.42Å; S205-K209 PolarHBondContact OG-NZ 3.46Å; V206-K209 PolarHBondContact O-N 3.2Å; I207-K209 VanDerWaalsContact C-N 3.31Å; I207-K209 PolarHBondContact O-N 3.3Å; K209-N211 PolarHBondContact O-N 3.27Å |
| 210 | H | 97.7 | Very high | 97.2 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | trans | -66.1 | 132 | -173.1 | -175.2 | 60.1 | 0 | 0 | 0 | 111.2 | H30 V206 I207 S212 K214 | H30-H210 AromaticContact CE1-NE2 3.91Å; V206-H210 WeakPolarHBondContact O-CB 3.26Å; V206-H210 PolarHBondContact O-N 2.72Å; I207-H210 VanDerWaalsContact O-CB 3.32Å; I207-H210 WeakPolarHBondContact O-CB 3.39Å; I207-H210 PolarHBondContact O-N 3.02Å; H210-S212 PolarHBondContact O-N 2.89Å; H210-K214 PolarHBondContact CE1-O 3.28Å; H210-K214 PolarHBondContact NE2-O 3.46Å | ||
| 211 | N | 92.6 | Very high | 97.2 | Very high | 99 Ų | 99 | 47.2 Ų | 47.2 | 53% | 0.529 | 24% | 0.242 | S | C | . | . | trans | -80.8 | 104.6 | 173.5 | -179.2 | -11.4 | 0 | 0 | 0 | 109.5 | K209 S213 K214 | K209-N211 PolarHBondContact O-N 3.27Å; N211-S213 PolarHBondContact ND2-OG 2.79Å; N211-S213 PolarHBondContact O-N 3.42Å; N211-S213 WeakPolarHBondContact OD1-CB 3.47Å; N211-S213 PolarHBondContact OD1-N 2.88Å; N211-S213 PolarHBondContact OD1-OG 3.03Å; N211-K214 PolarHBondContact O-N 2.78Å | ||
| 212 | S | 87.9 | Confident | 97.2 | Very high | 72 Ų | 72 | 41.2 Ų | 41.2 | 50% | 0.503 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -5 | -177.3 | 61.8 | 0 | 0 | 0 | 0 | 115.5 | H210 | H210-S212 PolarHBondContact O-N 2.89Š|
| 213 | S | 88.8 | Confident | 97.2 | Very high | 91 Ų | 91 | 38.3 Ų | 38.3 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.5 | 167.6 | 66 | 0 | 0 | 0 | 0 | 113.6 | N211 | N211-S213 PolarHBondContact ND2-OG 2.79Å; N211-S213 PolarHBondContact O-N 3.42Å; N211-S213 WeakPolarHBondContact OD1-CB 3.47Å; N211-S213 PolarHBondContact OD1-N 2.88Å; N211-S213 PolarHBondContact OD1-OG 3.03Å |
| 214 | K | 94.6 | Very high | 97.2 | Very high | 124 Ų | 124 | 38.3 Ų | 38.3 | 54% | 0.539 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -113.7 | 146.9 | 174.3 | -64.8 | -176.8 | 179.9 | -175.9 | 0 | 110.4 | H210 N211 | H210-K214 PolarHBondContact CE1-O 3.28Å; H210-K214 PolarHBondContact NE2-O 3.46Å; N211-K214 PolarHBondContact O-N 2.78Å |
| 215 | P | 98 | Very high | 97.2 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | trans | -67.8 | 150.9 | 168.4 | 29.6 | -32.6 | 0 | 0 | 0 | 110.5 | P28 Y122 G123 | P28-P215 HydrophobicContact CB-CB 4.29Å; P28-P215 HydrophobicContact CB-CG 4.31Å; Y122-P215 WeakPolarHBondContact CA-O 3.47Å; Y122-P215 HydrophobicContact CD1-CB 3.85Å; Y122-P215 HydrophobicContact CD1-CG 4.09Å; Y122-P215 HydrophobicContact CD2-CB 4.15Å; Y122-P215 HydrophobicContact CD2-CG 3.56Å; Y122-P215 HydrophobicContact CE1-CB 3.62Å; Y122-P215 HydrophobicContact CE1-CG 4.14Å; Y122-P215 HydrophobicContact CE2-CB 3.9Å; Y122-P215 HydrophobicContact CE2-CG 3.57Å; Y122-P215 HydrophobicContact CG-CB 4.1Å; Y122-P215 HydrophobicContact CG-CG 3.8Å; G123-P215 PolarHBondContact N-O 2.94Å | ||
| 216 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.7 | -176.1 | 173.3 | 63 | 0 | 0 | 0 | 108.6 | H30 I31 Y122 H125 V206 I207 L218 | H30-L216 CarbonylContact C-O 3.46Å; H30-L216 WeakPolarHBondContact CA-O 3.4Å; H30-L216 HydrophobicContact CB-CB 4.07Å; H30-L216 VanDerWaalsContact ND1-CB 3.27Å; H30-L216 WeakPolarHBondContact ND1-CB 3.45Å; H30-L216 PolarHBondContact ND1-N 3.35Å; I31-L216 PolarHBondContact N-O 3.07Å; Y122-L216 WeakPolarHBondContact CD1-O 3.29Å; H125-L216 VanDerWaalsContact CD2-CD1 3.45Å; H125-L216 WeakPolarHBondContact CD2-CD1 3.5Å; V206-L216 HydrophobicContact CG1-CD1 4.19Å; I207-L216 HydrophobicContact CG1-CD2 4.25Å; L216-L218 HydrophobicContact CD1-CB 4.29Å; L216-L218 HydrophobicContact CD2-CB 4.29Å; L216-L218 HydrophobicContact CG-CB 4.2Å |
| 217 | F | 98.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.8 | 158.7 | 175.2 | -126.9 | 0 | 0 | 0 | 108.6 | I31 F33 L113 P114 L117 Y122 G123 T124 H125 F146 | I31-F217 HydrophobicContact CB-CD2 4.01Å; I31-F217 HydrophobicContact CG2-CD2 3.74Å; I31-F217 HydrophobicContact CG2-CE2 4.01Å; I31-F217 WeakPolarHBondContact O-CA 3.25Å; F33-F217 HydrophobicContact CB-CE2 4.49Å; L113-F217 HydrophobicContact CD2-CE2 4.46Å; L113-F217 HydrophobicContact CD2-CZ 3.9Å; L113-F217 HydrophobicContact CG-CZ 4.22Å; P114-F217 HydrophobicContact CB-CD1 4.35Å; P114-F217 HydrophobicContact CB-CE1 4.04Å; L117-F217 HydrophobicContact CD1-CB 3.89Å; L117-F217 HydrophobicContact CD1-CD1 3.55Å; L117-F217 HydrophobicContact CD1-CD2 3.52Å; L117-F217 HydrophobicContact CD1-CE1 3.87Å; L117-F217 HydrophobicContact CD1-CE2 3.85Å; L117-F217 HydrophobicContact CD1-CG 3.36Å; L117-F217 HydrophobicContact CD1-CZ 4.01Å; Y122-F217 HydrophobicContact CD1-CB 3.84Å; Y122-F217 HydrophobicContact CG-CB 4.49Å; G123-F217 PolarHBondContact O-N 2.97Å; T124-F217 HydrophobicContact CG2-CB 4.29Å; T124-F217 HydrophobicContact CG2-CD1 4.13Å; H125-F217 PolarHBondContact N-O 3.35Å; F146-F217 HydrophobicContact CE1-CD1 4.04Å; F146-F217 AromaticContact CE1-CE1 3.57Å; F146-F217 HydrophobicContact CE1-CE1 3.57Å; F146-F217 HydrophobicContact CE1-CZ 4.49Å; F146-F217 HydrophobicContact CZ-CE1 4.06Å |
| 218 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 113.1 | 177.6 | 176.7 | 59.7 | 0 | 0 | 0 | 109.8 | I31 V32 F33 H125 V127 A203 V206 I207 L216 V220 | I31-L218 PolarHBondContact O-N 2.99Å; V32-L218 CarbonylContact C-O 3.55Å; V32-L218 WeakPolarHBondContact CA-O 3.46Å; V32-L218 HydrophobicContact CG1-CB 4.5Å; V32-L218 HydrophobicContact CG1-CD2 4.45Å; V32-L218 HydrophobicContact CG2-CB 4.29Å; F33-L218 PolarHBondContact N-O 2.97Å; H125-L218 HydrophobicContact CB-CD1 3.88Å; H125-L218 WeakPolarHBondContact O-CA 3.17Å; V127-L218 HydrophobicContact CG2-CD1 4.19Å; A203-L218 HydrophobicContact CB-CD2 4.2Å; V206-L218 HydrophobicContact CG1-CD1 4.22Å; I207-L218 HydrophobicContact CD1-CD2 3.97Å; I207-L218 HydrophobicContact CG1-CD2 3.96Å; L216-L218 HydrophobicContact CD1-CB 4.29Å; L216-L218 HydrophobicContact CD2-CB 4.29Å; L216-L218 HydrophobicContact CG-CB 4.2Å; L218-V220 HydrophobicContact CD1-CG2 4.1Å; L218-V220 HydrophobicContact CD2-CG2 4Å; L218-V220 HydrophobicContact CG-CG2 3.68Å |
| 219 | Y | 99 | Very high | 97 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 112.5 | 172.1 | 176 | -131.5 | 0 | 0 | 0 | 109.9 | F33 L35 L82 M83 H125 M126 V127 F146 A221 | F33-Y219 HydrophobicContact CB-CD2 4.24Å; F33-Y219 HydrophobicContact CD1-CD2 4.13Å; F33-Y219 HydrophobicContact CD1-CE2 4.14Å; F33-Y219 HydrophobicContact CG-CD2 4.47Å; F33-Y219 CarbonylContact O-C 3.48Å; F33-Y219 WeakPolarHBondContact O-CA 3.33Å; L35-Y219 HydrophobicContact CB-CE2 3.86Å; L35-Y219 HydrophobicContact CD2-CE2 4.17Å; L35-Y219 WeakPolarHBondContact CD2-OH 3.32Å; L82-Y219 HydrophobicContact CD2-CE2 3.83Å; M83-Y219 HydrophobicContact CE-CD1 3.37Å; M83-Y219 HydrophobicContact CE-CD2 4.27Å; M83-Y219 HydrophobicContact CE-CE1 3.15Å; M83-Y219 HydrophobicContact CE-CE2 4.09Å; M83-Y219 HydrophobicContact CE-CG 3.94Å; H125-Y219 PolarHBondContact O-N 3.33Å; M126-Y219 CarbonylContact C-O 3.57Å; M126-Y219 VanDerWaalsContact CA-O 3.32Å; M126-Y219 WeakPolarHBondContact CA-O 3.43Å; M126-Y219 HydrophobicContact CB-CD1 4.43Å; M126-Y219 HydrophobicContact CE-CD1 3.83Å; M126-Y219 HydrophobicContact CE-CE1 3.55Å; M126-Y219 HydrophobicContact CG-CD1 3.72Å; M126-Y219 HydrophobicContact CG-CE1 4.4Å; M126-Y219 HydrophobicContact SD-CD1 3.71Å; M126-Y219 HydrophobicContact SD-CE1 3.98Å; V127-Y219 PolarHBondContact N-O 2.77Å; F146-Y219 AromaticContact CZ-CD1 3.88Å; F146-Y219 HydrophobicContact CZ-CD1 3.88Å; F146-Y219 HydrophobicContact CZ-CG 4.36Å; Y219-A221 HydrophobicContact CD1-CB 4.46Å; Y219-A221 HydrophobicContact CE1-CB 3.76Å; Y219-A221 HydrophobicContact CE2-CB 4.14Å |
| 220 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 97.8 | 179.6 | -169.3 | 0 | 0 | 0 | 0 | 108.7 | F33 I34 L35 V127 A203 L218 L222 I264 | F33-V220 PolarHBondContact O-N 2.96Å; I34-V220 CarbonylContact C-O 3.5Å; I34-V220 WeakPolarHBondContact CA-O 3.21Å; I34-V220 HydrophobicContact CG1-CB 4.28Å; I34-V220 HydrophobicContact CG2-CB 4.5Å; L35-V220 PolarHBondContact N-O 3.07Å; V127-V220 CarbonylContact O-C 3.58Å; V127-V220 WeakPolarHBondContact O-CA 3.49Å; A203-V220 HydrophobicContact CB-CG1 4.45Å; A203-V220 HydrophobicContact CB-CG2 4Å; L218-V220 HydrophobicContact CD1-CG2 4.1Å; L218-V220 HydrophobicContact CD2-CG2 4Å; L218-V220 HydrophobicContact CG-CG2 3.68Å; V220-L222 HydrophobicContact CG1-CD2 3.74Å; V220-L222 HydrophobicContact CG1-CG 4.07Å; V220-L222 PolarHBondContact O-N 2.83Å; V220-I264 HydrophobicContact CG1-CD1 4.05Å; V220-I264 HydrophobicContact CG2-CD1 4.23Å |
| 221 | A | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 82.2 | 180 | 0 | 0 | 0 | 0 | 0 | 109.9 | M126 V127 G128 K129 Y219 | M126-A221 HydrophobicContact CE-CB 4.2Å; V127-A221 PolarHBondContact O-N 3.36Å; G128-A221 CarbonylContact C-O 3.54Å; G128-A221 WeakPolarHBondContact CA-O 3.18Å; K129-A221 HydrophobicContact CB-CB 4.35Å; K129-A221 PolarHBondContact N-O 2.83Å; K129-A221 VanDerWaalsContact O-CB 3.27Å; K129-A221 WeakPolarHBondContact O-CB 3.42Å; Y219-A221 HydrophobicContact CD1-CB 4.46Å; Y219-A221 HydrophobicContact CE1-CB 3.76Å; Y219-A221 HydrophobicContact CE2-CB 4.14Å |
| 222 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -62.8 | 148.5 | -175.7 | -62.3 | 174.7 | 0 | 0 | 0 | 110.9 | I34 L35 F199 V220 A224 M257 A260 | I34-L222 HydrophobicContact CG2-CD1 4.23Å; L35-L222 PolarHBondContact O-N 2.65Å; F199-L222 HydrophobicContact CB-CD2 3.95Å; V220-L222 HydrophobicContact CG1-CD2 3.74Å; V220-L222 HydrophobicContact CG1-CG 4.07Å; V220-L222 PolarHBondContact O-N 2.83Å; L222-A224 HydrophobicContact CB-CB 4.33Å; L222-M257 HydrophobicContact CD1-CG 3.61Å; L222-A260 HydrophobicContact CD1-CB 4.49Å | ||
| 223 | Q | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | trans | -68.1 | -33.6 | 165.1 | -174.4 | 175.6 | 0.4 | 0 | 0 | 110.7 | D37 Y152 E157 Y159 S195 F199 V225 H226 | D37-Q223 WeakPolarHBondContact CB-O 3.46Å; Y152-Q223 HydrophobicContact CE1-CB 3.88Å; Y152-Q223 HydrophobicContact CE1-CG 4.22Å; Y152-Q223 WeakPolarHBondContact OH-CA 3.38Å; Y152-Q223 WeakPolarHBondContact OH-CB 3.46Å; Y152-Q223 WeakPolarHBondContact OH-CG 3.31Å; E157-Q223 PolarHBondContact O-NE2 2.91Å; Y159-Q223 HydrophobicContact CD1-CG 4.26Å; Y159-Q223 HydrophobicContact CD2-CG 4.48Å; Y159-Q223 VanDerWaalsContact CD2-NE2 3.33Å; Y159-Q223 HydrophobicContact CE1-CB 3.97Å; Y159-Q223 HydrophobicContact CE1-CG 3.71Å; Y159-Q223 HydrophobicContact CE2-CG 3.94Å; Y159-Q223 PolarHBondContact OH-O 2.78Å; Y159-Q223 VanDerWaalsContact OH-O 3.06Å; S195-Q223 PolarHBondContact OG-OE1 3.4Å; F199-Q223 HydrophobicContact CE2-CB 4.23Å; Q223-V225 PolarHBondContact O-N 2.9Å; Q223-H226 WeakPolarHBondContact O-CB 3.39Å; Q223-H226 PolarHBondContact O-N 2.98Å | ||
| 224 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 129.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | D37 Y159 T196 L222 M257 | D37-A224 PolarHBondContact N-O 3.25Å; D37-A224 CarbonylContact O-C 3.59Å; Y159-A224 WeakPolarHBondContact OH-CA 3.49Å; T196-A224 HydrophobicContact CG2-CB 4.05Å; L222-A224 HydrophobicContact CB-CB 4.33Å; A224-M257 HydrophobicContact CB-CB 3.79Å; A224-M257 HydrophobicContact CB-CG 4.01Å |
| 225 | V | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -119.2 | 32.1 | 9.9 | -66 | 0 | 0 | 0 | 0 | 113 | D37 L39 Q223 Y250 M253 V254 M257 | D37-V225 CarbonylContact O-C 3.55Å; D37-V225 WeakPolarHBondContact O-CA 3.37Å; D37-V225 WeakPolarHBondContact O-CG2 3.29Å; D37-V225 PolarHBondContact O-N 3.13Å; L39-V225 HydrophobicContact CB-CG2 4.36Å; L39-V225 HydrophobicContact CD1-CG2 4.21Å; Q223-V225 PolarHBondContact O-N 2.9Å; V225-Y250 HydrophobicContact CB-CD2 4.43Å; V225-Y250 HydrophobicContact CB-CE2 3.91Å; V225-Y250 HydrophobicContact CG2-CD2 4.41Å; V225-Y250 HydrophobicContact CG2-CE1 4.32Å; V225-Y250 HydrophobicContact CG2-CE2 3.46Å; V225-Y250 VanDerWaalsContact CG2-CE2 3.46Å; V225-Y250 VanDerWaalsContact CG2-CZ 3.4Å; V225-Y250 WeakPolarHBondContact CG2-OH 3.28Å; V225-M253 HydrophobicContact CB-CB 4.26Å; V225-M253 HydrophobicContact CG1-CB 3.85Å; V225-V254 HydrophobicContact CB-CG2 4.26Å; V225-V254 HydrophobicContact CG1-CB 4.26Å; V225-V254 HydrophobicContact CG1-CG2 3.7Å; V225-V254 HydrophobicContact CG2-CG2 4.09Å; V225-M257 HydrophobicContact CG1-CB 4.42Å; V225-M257 HydrophobicContact CG1-SD 4.3Å |
| 226 | H | 98.6 | Very high | 98.3 | Very high | 21 Ų | 21 | 25 Ų | 25 | 10% | 0.097 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -60.8 | 154.9 | 177.8 | -166.1 | -80.7 | 0 | 0 | 0 | 111.9 | D37 D38 Y159 Q223 M253 K302 | D37-H226 HydrophobicContact CB-CB 3.9Å; D37-H226 PolarHBondContact O-N 3.48Å; D37-H226 IonicContact OD1-CD2 2.77Å; D37-H226 PolarHBondContact OD1-CD2 3.05Å; D37-H226 IonicContact OD1-CG 3.57Å; D38-H226 VanDerWaalsContact CG-CD2 3.44Å; D38-H226 IonicContact OD1-CD2 2.78Å; D38-H226 IonicContact OD2-CD2 2.79Å; D38-H226 PolarHBondContact OD2-CD2 3.31Å; D38-H226 IonicContact OD2-CG 3.77Å; D38-H226 IonicContact OD2-NE2 3.62Å; Y159-H226 VanDerWaalsContact CE2-O 3.24Å; Y159-H226 WeakPolarHBondContact CE2-O 3.46Å; Y159-H226 PolarHBondContact OH-N 3.03Å; Y159-H226 PolarHBondContact OH-O 2.96Å; Q223-H226 WeakPolarHBondContact O-CB 3.39Å; Q223-H226 PolarHBondContact O-N 2.98Å; H226-M253 WeakPolarHBondContact O-CE 3.21Å; H226-K302 PolarHBondContact CD2-NZ 2.9Å; H226-K302 PolarHBondContact NE2-NZ 2.84Å |
| 227 | S | 96.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 28.4 Ų | 28.4 | 12% | 0.119 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -62 | 155.3 | 172 | 63.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 228 | P | 98.1 | Very high | 98 | Very high | 47 Ų | 47 | 31 Ų | 31 | 31% | 0.305 | 17% | 0.165 | S | C | . | . | S | Bend | cis | -71 | 155.2 | 2.2 | 31.4 | -36.8 | 0 | 0 | 0 | 113.8 | E157 Y159 Q230 | E157-P228 WeakPolarHBondContact O-CD 3.39Å; Y159-P228 HydrophobicContact CD2-CG 4.26Å; Y159-P228 WeakPolarHBondContact CE2-O 3.31Å; P228-Q230 HydrophobicContact CB-CG 4.18Å; P228-Q230 HydrophobicContact CG-CG 4.13Å; P228-Q230 PolarHBondContact O-N 2.85Å |
| 229 | L | 98.1 | Very high | 97.9 | Very high | 27 Ų | 27 | 31.1 Ų | 31.1 | 14% | 0.141 | 17% | 0.165 | C | C | . | . | trans | -78.1 | 87.6 | -179 | -61.7 | -177.5 | 0 | 0 | 0 | 111.3 | H246 L249 Y250 M253 A292 | L229-H246 HydrophobicContact CD1-CB 3.6Å; L229-L249 HydrophobicContact CB-CB 4.06Å; L229-L249 HydrophobicContact CB-CD1 4.15Å; L229-Y250 HydrophobicContact CD2-CD2 4.1Å; L229-M253 HydrophobicContact CB-SD 4.27Å; L229-M253 HydrophobicContact CD2-SD 3.8Å; L229-A292 HydrophobicContact CD1-CB 4.48Å | ||
| 230 | Q | 98.6 | Very high | 97.8 | Very high | 45 Ų | 45 | 35 Ų | 35 | 21% | 0.21 | 19% | 0.193 | C | C | . | . | trans | -132.3 | 130.2 | -173.1 | -70 | 175.8 | -25 | 0 | 0 | 110.3 | D158 Y159 F160 Y194 P228 M253 | D158-Q230 PolarHBondContact OD2-NE2 2.92Å; D158-Q230 PolarHBondContact OD2-OE1 2.99Å; Y159-Q230 HydrophobicContact CD2-CB 3.93Å; Y159-Q230 HydrophobicContact CG-CB 4.19Å; F160-Q230 HydrophobicContact CD2-CB 4.42Å; F160-Q230 HydrophobicContact CE2-CB 4.06Å; Y194-Q230 WeakPolarHBondContact CE2-O 3.49Å; Y194-Q230 PolarHBondContact OH-O 3.44Å; P228-Q230 HydrophobicContact CB-CG 4.18Å; P228-Q230 HydrophobicContact CG-CG 4.13Å; P228-Q230 PolarHBondContact O-N 2.85Å; Q230-M253 WeakPolarHBondContact O-CG 3.21Å | ||
| 231 | V | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | trans | -158.1 | 149.5 | 178.4 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | Y194 Y235 L236 L249 M253 A256 | Y194-V231 HydrophobicContact CE1-CG2 4.4Å; V231-Y235 HydrophobicContact CG2-CD2 3.69Å; V231-Y235 HydrophobicContact CG2-CG 3.97Å; V231-L236 HydrophobicContact CG1-CD2 3.49Å; V231-L236 VanDerWaalsContact CG1-CD2 3.49Å; V231-L236 HydrophobicContact CG1-CG 4.16Å; V231-L249 HydrophobicContact CG1-CD2 4.25Å; V231-M253 HydrophobicContact CB-CG 3.73Å; V231-M253 HydrophobicContact CG1-CG 4.33Å; V231-M253 HydrophobicContact CG2-CG 4.29Å; V231-A256 HydrophobicContact CG2-CB 4.48Å | ||
| 232 | P | 98.4 | Very high | 97.5 | Very high | 17 Ų | 17 | 41 Ų | 41 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | trans | -58.6 | 138.4 | 171.3 | -25.6 | 34.5 | 0 | 0 | 0 | 112.8 | F160 Y194 R234 Y235 | F160-P232 HydrophobicContact CE1-CG 4.44Å; F160-P232 HydrophobicContact CZ-CG 4.28Å; Y194-P232 HydrophobicContact CD1-CG 3.99Å; Y194-P232 HydrophobicContact CD2-CG 4.44Å; Y194-P232 HydrophobicContact CG-CG 3.94Å; P232-R234 HydrophobicContact CB-CG 4.21Å; P232-R234 PolarHBondContact O-N 3.43Å; P232-Y235 HydrophobicContact CB-CD2 4.04Å; P232-Y235 HydrophobicContact CB-CE2 4.32Å; P232-Y235 HydrophobicContact CG-CD2 4.24Å; P232-Y235 HydrophobicContact CG-CE2 4.22Å; P232-Y235 PolarHBondContact O-N 3.18Å | ||
| 233 | E | 96.6 | Very high | 97.2 | Very high | 146 Ų | 146 | 49.3 Ų | 49.3 | 68% | 0.682 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -51.5 | -33.1 | -174.4 | -170.5 | 62.9 | -149.6 | 0 | 0 | 113.8 | Y235 L236 | E233-Y235 PolarHBondContact O-N 3.22Å; E233-Y235 VanDerWaalsContact O-N 3.13Å; E233-L236 WeakPolarHBondContact O-CB 3.39Å; E233-L236 PolarHBondContact O-N 3.2Å |
| 234 | R | 97.4 | Very high | 96.9 | Very high | 148 Ų | 148 | 53.1 Ų | 53.1 | 56% | 0.558 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -57.4 | -28 | 179 | 64.3 | 176.8 | 173.2 | -86.2 | 6.8 | 113.8 | E197 P232 L236 | E197-R234 IonicContact OE1-CZ 3.69Å; E197-R234 IonicContact OE1-NE 3.7Å; E197-R234 IonicContact OE1-NH2 2.81Å; E197-R234 PolarHBondContact OE1-NH2 2.8Å; E197-R234 IonicContact OE2-NH2 3.17Å; E197-R234 PolarHBondContact OE2-NH2 2.87Å; P232-R234 HydrophobicContact CB-CG 4.21Å; P232-R234 PolarHBondContact O-N 3.43Å; R234-L236 VanDerWaalsContact C-N 3.32Å |
| 235 | Y | 98.4 | Very high | 96.7 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -81.4 | -11.1 | 177.9 | -67.4 | -78.2 | 0 | 0 | 0 | 113.2 | E197 V231 P232 E233 Y239 A256 E259 | E197-Y235 VanDerWaalsContact OE1-CE2 3.3Å; E197-Y235 WeakPolarHBondContact OE1-CE2 3.49Å; E197-Y235 PolarHBondContact OE1-OH 2.97Å; V231-Y235 HydrophobicContact CG2-CD2 3.69Å; V231-Y235 HydrophobicContact CG2-CG 3.97Å; P232-Y235 HydrophobicContact CB-CD2 4.04Å; P232-Y235 HydrophobicContact CB-CE2 4.32Å; P232-Y235 HydrophobicContact CG-CD2 4.24Å; P232-Y235 HydrophobicContact CG-CE2 4.22Å; P232-Y235 PolarHBondContact O-N 3.18Å; E233-Y235 PolarHBondContact O-N 3.22Å; E233-Y235 VanDerWaalsContact O-N 3.13Å; Y235-Y239 WeakPolarHBondContact O-CD2 3.42Å; Y235-A256 HydrophobicContact CD1-CB 4.11Å; Y235-A256 HydrophobicContact CD2-CB 4.13Å; Y235-A256 HydrophobicContact CE1-CB 3.78Å; Y235-A256 HydrophobicContact CE2-CB 3.79Å; Y235-A256 HydrophobicContact CG-CB 4.26Å; Y235-E259 PolarHBondContact OH-OE1 3.43Å |
| 236 | L | 97.4 | Very high | 96.6 | Very high | 19 Ų | 19 | 65.7 Ų | 65.7 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -31.9 | 179.6 | -56 | -173.9 | 0 | 0 | 0 | 112.7 | V231 E233 R234 P238 Y239 L249 | V231-L236 HydrophobicContact CG1-CD2 3.49Å; V231-L236 VanDerWaalsContact CG1-CD2 3.49Å; V231-L236 HydrophobicContact CG1-CG 4.16Å; E233-L236 WeakPolarHBondContact O-CB 3.39Å; E233-L236 PolarHBondContact O-N 3.2Å; R234-L236 VanDerWaalsContact C-N 3.32Å; L236-P238 VanDerWaalsContact C-CD 3.46Å; L236-Y239 CarbonylContact O-C 3.58Å; L236-Y239 PolarHBondContact O-N 3.02Å; L236-L249 HydrophobicContact CD1-CD2 3.98Å; L236-L249 HydrophobicContact CD2-CD2 4.06Å |
| 237 | A | 94.8 | Very high | 96.5 | Very high | 72 Ų | 72 | 64.9 Ų | 64.9 | 60% | 0.595 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -54.7 | -41 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y239 S240 | A237-Y239 PolarHBondContact O-N 3.38Å; A237-S240 PolarHBondContact O-N 3.12Å |
| 238 | P | 96.6 | Very high | 96.6 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -64.8 | -17.9 | 176.6 | -23.1 | 35.9 | 0 | 0 | 0 | 114.8 | L236 F241 | L236-P238 VanDerWaalsContact C-CD 3.46Å; P238-F241 VanDerWaalsContact O-CE1 3.3Å; P238-F241 WeakPolarHBondContact O-CE1 3.35Å |
| 239 | Y | 97.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -112 | 22.4 | -173.9 | -59.6 | -69.9 | 0 | 0 | 0 | 113.3 | R52 Y235 L236 A237 F241 I242 R248 A251 S255 | R52-Y239 WeakPolarHBondContact CB-OH 3.2Å; R52-Y239 HydrophobicContact CG-CE1 4.22Å; R52-Y239 PolarHBondContact N-OH 2.83Å; R52-Y239 PolarHBondContact O-OH 2.94Å; Y235-Y239 WeakPolarHBondContact O-CD2 3.42Å; L236-Y239 CarbonylContact O-C 3.58Å; L236-Y239 PolarHBondContact O-N 3.02Å; A237-Y239 PolarHBondContact O-N 3.38Å; Y239-F241 AromaticContact CD1-CE1 3.91Å; Y239-F241 HydrophobicContact CD1-CE1 3.91Å; Y239-F241 AromaticContact CD1-CZ 3.9Å; Y239-F241 HydrophobicContact CD1-CZ 3.9Å; Y239-F241 PolarHBondContact O-N 3.39Å; Y239-I242 HydrophobicContact CD1-CD1 3.82Å; Y239-I242 HydrophobicContact CG-CD1 4.21Å; Y239-I242 WeakPolarHBondContact O-CB 3.34Å; Y239-I242 PolarHBondContact O-N 2.88Å; Y239-R248 WeakPolarHBondContact O-CG 3.45Å; Y239-R248 PolarHBondContact O-NE 3.12Å; Y239-A251 HydrophobicContact CD1-CB 3.89Å; Y239-A251 HydrophobicContact CD2-CB 3.88Å; Y239-A251 HydrophobicContact CE1-CB 4.11Å; Y239-A251 HydrophobicContact CE2-CB 4.1Å; Y239-A251 HydrophobicContact CG-CB 3.77Å; Y239-S255 WeakPolarHBondContact CE2-OG 3.39Å; Y239-S255 PolarHBondContact OH-OG 3.01Å |
| 240 | S | 96.1 | Very high | 96.6 | Very high | 83 Ų | 83 | 65.6 Ų | 65.6 | 58% | 0.58 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.1 | 176.9 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | A237 I242 R248 | A237-S240 PolarHBondContact O-N 3.12Å; S240-I242 VanDerWaalsContact C-N 3.34Å; S240-R248 PolarHBondContact O-NH2 2.69Å |
| 241 | F | 95.3 | Very high | 96.6 | Very high | 110 Ų | 110 | 63.4 Ų | 63.4 | 48% | 0.482 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -16.6 | 174.9 | 69.1 | -92.7 | 0 | 0 | 0 | 114.3 | E50 P238 Y239 E243 | E50-F241 HydrophobicContact CB-CE2 4.17Å; E50-F241 HydrophobicContact CB-CZ 4.48Å; E50-F241 HydrophobicContact CG-CE2 4.47Å; P238-F241 VanDerWaalsContact O-CE1 3.3Å; P238-F241 WeakPolarHBondContact O-CE1 3.35Å; Y239-F241 AromaticContact CD1-CE1 3.91Å; Y239-F241 HydrophobicContact CD1-CE1 3.91Å; Y239-F241 AromaticContact CD1-CZ 3.9Å; Y239-F241 HydrophobicContact CD1-CZ 3.9Å; Y239-F241 PolarHBondContact O-N 3.39Å; F241-E243 PolarHBondContact O-N 3.1Å |
| 242 | I | 95.4 | Very high | 96.6 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.077 | 31% | 0.305 | C | S | . | . | trans | -83.3 | 104.9 | 176.4 | -58.9 | -176.4 | 0 | 0 | 0 | 108.2 | E50 Y239 S240 R247 R248 A251 | E50-I242 HydrophobicContact CG-CD1 3.95Å; E50-I242 HydrophobicContact CG-CG1 4.48Å; Y239-I242 HydrophobicContact CD1-CD1 3.82Å; Y239-I242 HydrophobicContact CG-CD1 4.21Å; Y239-I242 WeakPolarHBondContact O-CB 3.34Å; Y239-I242 PolarHBondContact O-N 2.88Å; S240-I242 VanDerWaalsContact C-N 3.34Å; I242-R247 HydrophobicContact CD1-CG 4.47Å; I242-R247 HydrophobicContact CG2-CB 3.79Å; I242-R247 HydrophobicContact CG2-CG 3.7Å; I242-R248 HydrophobicContact CB-CB 4.26Å; I242-R248 HydrophobicContact CG2-CB 4.24Å; I242-R248 PolarHBondContact O-NE 2.93Å; I242-R248 PolarHBondContact O-NH2 3.01Å; I242-A251 HydrophobicContact CD1-CB 3.83Å | ||
| 243 | E | 93.4 | Very high | 96.7 | Very high | 176 Ų | 176 | 62 Ų | 62 | 82% | 0.822 | 30% | 0.3 | S | S | * | . | trans | -65.5 | -40.1 | -176.5 | -64.5 | -176.3 | 173.3 | 0 | 0 | 113.2 | F241 R245 | F241-E243 PolarHBondContact O-N 3.1Å; E243-R245 PolarHBondContact O-N 3.31Å | ||
| 244 | D | 93.4 | Very high | 96.8 | Very high | 81 Ų | 81 | 55 Ų | 55 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -66.2 | 117.2 | 178.2 | -178.6 | -90.6 | 0 | 0 | 0 | 111 | H246 R247 R248 | D244-H246 PolarHBondContact O-N 3.43Å; D244-H246 PolarHBondContact OD1-N 2.88Å; D244-R247 HydrophobicContact CB-CB 4.02Å; D244-R247 PolarHBondContact O-N 2.94Å; D244-R247 WeakPolarHBondContact OD1-CB 3.43Å; D244-R247 PolarHBondContact OD1-N 3.36Å; D244-R248 WeakPolarHBondContact O-CB 3.32Å; D244-R248 PolarHBondContact O-N 2.87Å |
| 245 | R | 94.5 | Very high | 96.8 | Very high | 192 Ų | 192 | 48.8 Ų | 48.8 | 73% | 0.725 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.3 | -40.6 | -174.8 | -179.9 | 177.7 | 174.3 | 179.4 | -1.8 | 112.4 | E243 R248 L249 | E243-R245 PolarHBondContact O-N 3.31Å; R245-R248 PolarHBondContact O-N 2.83Å; R245-L249 HydrophobicContact CG-CD1 4.24Å; R245-L249 WeakPolarHBondContact O-CG 3.27Å; R245-L249 PolarHBondContact O-N 3.5Å |
| 246 | H | 94.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 48 Ų | 48 | 33% | 0.333 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.7 | -43.5 | -179.3 | -69.6 | -178.6 | 0 | 0 | 0 | 110.6 | L229 D244 R248 L249 Y250 A292 | L229-H246 HydrophobicContact CD1-CB 3.6Å; D244-H246 PolarHBondContact O-N 3.43Å; D244-H246 PolarHBondContact OD1-N 2.88Å; H246-R248 VanDerWaalsContact C-N 3.34Å; H246-R248 PolarHBondContact O-N 3.27Å; H246-L249 PolarHBondContact O-N 2.87Å; H246-Y250 WeakPolarHBondContact O-CB 3.36Å; H246-Y250 PolarHBondContact O-N 2.98Å; H246-A292 VanDerWaalsContact C-CB 3.48Å; H246-A292 HydrophobicContact CB-CB 3.84Å |
| 247 | R | 96.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -37.4 | 174.6 | -173.5 | 61.4 | 174.5 | 177.8 | 1 | 112.3 | D43 E50 I51 I242 D244 Y250 A251 A292 P450 | D43-R247 IonicContact OD1-CZ 3.38Å; D43-R247 IonicContact OD1-NH1 3.63Å; D43-R247 PolarHBondContact OD1-NH1 2.86Å; D43-R247 IonicContact OD1-NH2 2.69Å; D43-R247 PolarHBondContact OD1-NH2 2.5Å; D43-R247 IonicContact OD2-NH1 2.68Å; E50-R247 IonicContact OE1-CZ 3.25Å; E50-R247 VanDerWaalsContact OE1-CZ 3.25Å; E50-R247 IonicContact OE1-NE 2.79Å; E50-R247 PolarHBondContact OE1-NE 3.25Å; E50-R247 IonicContact OE1-NH2 2.87Å; E50-R247 PolarHBondContact OE1-NH2 2.69Å; I51-R247 VanDerWaalsContact CD1-CZ 3.48Å; I242-R247 HydrophobicContact CD1-CG 4.47Å; I242-R247 HydrophobicContact CG2-CB 3.79Å; I242-R247 HydrophobicContact CG2-CG 3.7Å; D244-R247 HydrophobicContact CB-CB 4.02Å; D244-R247 PolarHBondContact O-N 2.94Å; D244-R247 WeakPolarHBondContact OD1-CB 3.43Å; D244-R247 PolarHBondContact OD1-N 3.36Å; R247-Y250 PolarHBondContact O-N 3.29Å; R247-A251 VanDerWaalsContact O-CB 3.29Å; R247-A251 WeakPolarHBondContact O-CB 3.13Å; R247-A251 PolarHBondContact O-N 3.18Å; R247-A292 HydrophobicContact CB-CB 4.22Å; R247-A292 WeakPolarHBondContact CD-O 3.42Å; R247-A292 PolarHBondContact NH1-O 3.14Å; R247-P450 HydrophobicContact CG-CB 4.02Å |
| 248 | R | 97.8 | Very high | 97.1 | Very high | 77 Ų | 77 | 44 Ų | 44 | 29% | 0.291 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 175 | -168.7 | -174.6 | -57.2 | -176 | -0.4 | 112.1 | Y239 S240 I242 D244 R245 H246 A251 G252 | Y239-R248 WeakPolarHBondContact O-CG 3.45Å; Y239-R248 PolarHBondContact O-NE 3.12Å; S240-R248 PolarHBondContact O-NH2 2.69Å; I242-R248 HydrophobicContact CB-CB 4.26Å; I242-R248 HydrophobicContact CG2-CB 4.24Å; I242-R248 PolarHBondContact O-NE 2.93Å; I242-R248 PolarHBondContact O-NH2 3.01Å; D244-R248 WeakPolarHBondContact O-CB 3.32Å; D244-R248 PolarHBondContact O-N 2.87Å; R245-R248 PolarHBondContact O-N 2.83Å; H246-R248 VanDerWaalsContact C-N 3.34Å; H246-R248 PolarHBondContact O-N 3.27Å; R248-A251 PolarHBondContact O-N 2.9Å; R248-G252 PolarHBondContact O-N 2.82Å; R248-G252 VanDerWaalsContact O-N 3.09Å |
| 249 | L | 98.5 | Very high | 97.3 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 14% | 0.141 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.1 | -49.7 | 173.8 | -71.5 | 165.9 | 0 | 0 | 0 | 110.5 | L229 V231 L236 R245 H246 A251 G252 M253 | L229-L249 HydrophobicContact CB-CB 4.06Å; L229-L249 HydrophobicContact CB-CD1 4.15Å; V231-L249 HydrophobicContact CG1-CD2 4.25Å; L236-L249 HydrophobicContact CD1-CD2 3.98Å; L236-L249 HydrophobicContact CD2-CD2 4.06Å; R245-L249 HydrophobicContact CG-CD1 4.24Å; R245-L249 WeakPolarHBondContact O-CG 3.27Å; R245-L249 PolarHBondContact O-N 3.5Å; H246-L249 PolarHBondContact O-N 2.87Å; L249-A251 PolarHBondContact O-N 3.28Å; L249-G252 WeakPolarHBondContact O-CA 3.43Å; L249-G252 PolarHBondContact O-N 3.4Å; L249-G252 VanDerWaalsContact O-N 3.12Å; L249-M253 WeakPolarHBondContact O-CG 3.14Å; L249-M253 PolarHBondContact O-N 2.97Å |
| 250 | Y | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58 | -44.8 | 177.6 | -174.2 | -87.7 | 0 | 0 | 0 | 112.3 | D38 G40 D43 I51 V225 L229 H246 R247 G252 M253 V254 Y291 A292 | D38-Y250 PolarHBondContact O-OH 3.42Å; G40-Y250 PolarHBondContact N-OH 3.33Å; D43-Y250 HydrophobicContact CB-CE1 3.98Å; D43-Y250 WeakPolarHBondContact OD2-CE1 3.15Å; D43-Y250 PolarHBondContact OD2-OH 2.85Å; I51-Y250 HydrophobicContact CD1-CD1 3.86Å; I51-Y250 HydrophobicContact CD1-CE1 4.07Å; V225-Y250 HydrophobicContact CB-CD2 4.43Å; V225-Y250 HydrophobicContact CB-CE2 3.91Å; V225-Y250 HydrophobicContact CG2-CD2 4.41Å; V225-Y250 HydrophobicContact CG2-CE1 4.32Å; V225-Y250 HydrophobicContact CG2-CE2 3.46Å; V225-Y250 VanDerWaalsContact CG2-CE2 3.46Å; V225-Y250 VanDerWaalsContact CG2-CZ 3.4Å; V225-Y250 WeakPolarHBondContact CG2-OH 3.28Å; L229-Y250 HydrophobicContact CD2-CD2 4.1Å; H246-Y250 WeakPolarHBondContact O-CB 3.36Å; H246-Y250 PolarHBondContact O-N 2.98Å; R247-Y250 PolarHBondContact O-N 3.29Å; Y250-G252 VanDerWaalsContact C-N 3.3Å; Y250-G252 PolarHBondContact O-N 3.32Å; Y250-M253 WeakPolarHBondContact O-CB 3.21Å; Y250-M253 PolarHBondContact O-N 3.4Å; Y250-M253 VanDerWaalsContact O-N 3.08Å; Y250-V254 HydrophobicContact CD1-CG2 3.84Å; Y250-V254 HydrophobicContact CE1-CG2 3.5Å; Y250-V254 VanDerWaalsContact CE1-CG2 3.5Å; Y250-V254 WeakPolarHBondContact O-CG2 3.41Å; Y250-V254 PolarHBondContact O-N 3.15Å; Y250-Y291 VanDerWaalsContact CD2-O 3.31Å; Y250-Y291 WeakPolarHBondContact CD2-O 3.48Å; Y250-A292 HydrophobicContact CG-CB 4.42Å |
| 251 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I51 Y239 I242 R247 R248 L249 S255 | I51-A251 HydrophobicContact CD1-CB 4.05Å; I51-A251 HydrophobicContact CG1-CB 3.77Å; I51-A251 HydrophobicContact CG2-CB 4.32Å; Y239-A251 HydrophobicContact CD1-CB 3.89Å; Y239-A251 HydrophobicContact CD2-CB 3.88Å; Y239-A251 HydrophobicContact CE1-CB 4.11Å; Y239-A251 HydrophobicContact CE2-CB 4.1Å; Y239-A251 HydrophobicContact CG-CB 3.77Å; I242-A251 HydrophobicContact CD1-CB 3.83Å; R247-A251 VanDerWaalsContact O-CB 3.29Å; R247-A251 WeakPolarHBondContact O-CB 3.13Å; R247-A251 PolarHBondContact O-N 3.18Å; R248-A251 PolarHBondContact O-N 2.9Å; L249-A251 PolarHBondContact O-N 3.28Å; A251-S255 PolarHBondContact O-N 3.13Å; A251-S255 PolarHBondContact O-OG 3.5Å |
| 252 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R248 L249 Y250 S255 A256 | R248-G252 PolarHBondContact O-N 2.82Å; R248-G252 VanDerWaalsContact O-N 3.09Å; L249-G252 WeakPolarHBondContact O-CA 3.43Å; L249-G252 PolarHBondContact O-N 3.4Å; L249-G252 VanDerWaalsContact O-N 3.12Å; Y250-G252 VanDerWaalsContact C-N 3.3Å; Y250-G252 PolarHBondContact O-N 3.32Å; G252-S255 WeakPolarHBondContact O-CB 3.4Å; G252-S255 PolarHBondContact O-N 3.01Å; G252-S255 VanDerWaalsContact O-N 3.16Å; G252-A256 PolarHBondContact O-N 3.34Å |
| 253 | M | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 178.3 | -62.9 | 167.2 | 71.4 | 0 | 0 | 111.9 | Y159 V225 H226 L229 Q230 V231 L249 Y250 S255 A256 M257 | Y159-M253 HydrophobicContact CD2-CE 4.47Å; Y159-M253 HydrophobicContact CE1-CE 4.06Å; Y159-M253 HydrophobicContact CE2-CE 3.54Å; Y159-M253 WeakPolarHBondContact OH-CE 3.37Å; V225-M253 HydrophobicContact CB-CB 4.26Å; V225-M253 HydrophobicContact CG1-CB 3.85Å; H226-M253 WeakPolarHBondContact O-CE 3.21Å; L229-M253 HydrophobicContact CB-SD 4.27Å; L229-M253 HydrophobicContact CD2-SD 3.8Å; Q230-M253 WeakPolarHBondContact O-CG 3.21Å; V231-M253 HydrophobicContact CB-CG 3.73Å; V231-M253 HydrophobicContact CG1-CG 4.33Å; V231-M253 HydrophobicContact CG2-CG 4.29Å; L249-M253 WeakPolarHBondContact O-CG 3.14Å; L249-M253 PolarHBondContact O-N 2.97Å; Y250-M253 WeakPolarHBondContact O-CB 3.21Å; Y250-M253 PolarHBondContact O-N 3.4Å; Y250-M253 VanDerWaalsContact O-N 3.08Å; M253-S255 VanDerWaalsContact C-N 3.26Å; M253-S255 PolarHBondContact O-N 2.77Å; M253-A256 PolarHBondContact O-N 2.81Å; M253-M257 PolarHBondContact O-N 3.45Å |
| 254 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.9 | -36.6 | 175.2 | 174.9 | 0 | 0 | 0 | 0 | 111 | L39 I51 T53 V225 Y250 M257 D258 | L39-V254 HydrophobicContact CD1-CG1 4.28Å; L39-V254 HydrophobicContact CD1-CG2 4.05Å; I51-V254 HydrophobicContact CD1-CG2 4.19Å; I51-V254 HydrophobicContact CG2-CB 3.72Å; I51-V254 HydrophobicContact CG2-CG1 3.53Å; I51-V254 HydrophobicContact CG2-CG2 4.45Å; T53-V254 HydrophobicContact CG2-CG1 3.51Å; V225-V254 HydrophobicContact CB-CG2 4.26Å; V225-V254 HydrophobicContact CG1-CB 4.26Å; V225-V254 HydrophobicContact CG1-CG2 3.7Å; V225-V254 HydrophobicContact CG2-CG2 4.09Å; Y250-V254 HydrophobicContact CD1-CG2 3.84Å; Y250-V254 HydrophobicContact CE1-CG2 3.5Å; Y250-V254 VanDerWaalsContact CE1-CG2 3.5Å; Y250-V254 WeakPolarHBondContact O-CG2 3.41Å; Y250-V254 PolarHBondContact O-N 3.15Å; V254-M257 HydrophobicContact CG1-CE 4.28Å; V254-M257 WeakPolarHBondContact O-CB 3.4Å; V254-M257 PolarHBondContact O-N 3.23Å; V254-D258 PolarHBondContact O-N 3.3Å |
| 255 | S | 98.9 | Very high | 98.3 | Very high | 18 Ų | 18 | 27 Ų | 27 | 13% | 0.126 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.7 | -38.8 | 177.2 | -55 | 0 | 0 | 0 | 0 | 112.6 | Y239 A251 G252 M253 M257 D258 E259 | Y239-S255 WeakPolarHBondContact CE2-OG 3.39Å; Y239-S255 PolarHBondContact OH-OG 3.01Å; A251-S255 PolarHBondContact O-N 3.13Å; A251-S255 PolarHBondContact O-OG 3.5Å; G252-S255 WeakPolarHBondContact O-CB 3.4Å; G252-S255 PolarHBondContact O-N 3.01Å; G252-S255 VanDerWaalsContact O-N 3.16Å; M253-S255 VanDerWaalsContact C-N 3.26Å; M253-S255 PolarHBondContact O-N 2.77Å; S255-M257 VanDerWaalsContact C-N 3.31Å; S255-D258 PolarHBondContact O-N 3.45Å; S255-E259 PolarHBondContact O-N 2.8Å |
| 256 | A | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y194 T196 V231 Y235 G252 M253 E259 A260 | Y194-A256 HydrophobicContact CE1-CB 3.98Å; T196-A256 HydrophobicContact CG2-CB 4.32Å; V231-A256 HydrophobicContact CG2-CB 4.48Å; Y235-A256 HydrophobicContact CD1-CB 4.11Å; Y235-A256 HydrophobicContact CD2-CB 4.13Å; Y235-A256 HydrophobicContact CE1-CB 3.78Å; Y235-A256 HydrophobicContact CE2-CB 3.79Å; Y235-A256 HydrophobicContact CG-CB 4.26Å; G252-A256 PolarHBondContact O-N 3.34Å; M253-A256 PolarHBondContact O-N 2.81Å; A256-E259 PolarHBondContact O-N 3Å; A256-A260 PolarHBondContact O-N 3.34Å |
| 257 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.1 | -43.6 | 172.9 | -175.2 | -160.3 | 70 | 0 | 0 | 111.9 | A36 L39 L56 L222 A224 V225 M253 V254 S255 E259 A260 V261 F281 | A36-M257 HydrophobicContact CB-SD 3.49Å; A36-M257 WeakPolarHBondContact CB-SD 3.4Å; L39-M257 HydrophobicContact CD1-CE 4.17Å; L39-M257 HydrophobicContact CD2-CE 3.99Å; L56-M257 HydrophobicContact CD1-CE 3.78Å; L222-M257 HydrophobicContact CD1-CG 3.61Å; A224-M257 HydrophobicContact CB-CB 3.79Å; A224-M257 HydrophobicContact CB-CG 4.01Å; V225-M257 HydrophobicContact CG1-CB 4.42Å; V225-M257 HydrophobicContact CG1-SD 4.3Å; M253-M257 PolarHBondContact O-N 3.45Å; V254-M257 HydrophobicContact CG1-CE 4.28Å; V254-M257 WeakPolarHBondContact O-CB 3.4Å; V254-M257 PolarHBondContact O-N 3.23Å; S255-M257 VanDerWaalsContact C-N 3.31Å; M257-E259 VanDerWaalsContact C-N 3.33Å; M257-E259 PolarHBondContact O-N 2.88Å; M257-A260 WeakPolarHBondContact O-CB 3.38Å; M257-A260 PolarHBondContact O-N 3.29Å; M257-V261 WeakPolarHBondContact O-CG2 3.46Å; M257-V261 PolarHBondContact O-N 2.79Å; M257-F281 HydrophobicContact CE-CE2 4.39Å; M257-F281 HydrophobicContact CE-CZ 3.94Å; M257-F281 HydrophobicContact SD-CZ 4.36Å |
| 258 | D | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.027 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 174.9 | -178.9 | 83.5 | 0 | 0 | 0 | 111.5 | T53 P54 N55 L56 V254 S255 V261 G262 | T53-D258 VanDerWaalsContact C-CG 3.49Å; T53-D258 VanDerWaalsContact CA-OD1 3.22Å; T53-D258 WeakPolarHBondContact CA-OD1 3.32Å; T53-D258 WeakPolarHBondContact CB-OD1 2.78Å; T53-D258 HydrophobicContact CG2-CB 4.35Å; P54-D258 WeakPolarHBondContact CD-OD2 3.2Å; P54-D258 WeakPolarHBondContact CG-OD2 3.37Å; N55-D258 WeakPolarHBondContact CA-OD1 3.12Å; N55-D258 WeakPolarHBondContact CB-O 3.25Å; N55-D258 WeakPolarHBondContact CB-OD1 3.39Å; N55-D258 WeakPolarHBondContact CB-OD2 3.21Å; N55-D258 PolarHBondContact N-OD1 3.17Å; N55-D258 PolarHBondContact N-OD2 2.94Å; N55-D258 PolarHBondContact ND2-O 3.2Å; N55-D258 PolarHBondContact ND2-OD2 3.34Å; L56-D258 WeakPolarHBondContact CG-OD1 3.26Å; L56-D258 PolarHBondContact N-OD1 3.22Å; V254-D258 PolarHBondContact O-N 3.3Å; S255-D258 PolarHBondContact O-N 3.45Å; D258-V261 PolarHBondContact O-N 3.42Å; D258-G262 PolarHBondContact O-N 2.9Å |
| 259 | E | 98.9 | Very high | 98.8 | Very high | 86 Ų | 86 | 18.3 Ų | 18.3 | 40% | 0.402 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -61.6 | -43 | 174.1 | -171.3 | -179.6 | 111.4 | 0 | 0 | 111.7 | Y235 S255 A256 M257 V261 G262 N263 | Y235-E259 PolarHBondContact OH-OE1 3.43Å; S255-E259 PolarHBondContact O-N 2.8Å; A256-E259 PolarHBondContact O-N 3Å; M257-E259 VanDerWaalsContact C-N 3.33Å; M257-E259 PolarHBondContact O-N 2.88Å; E259-V261 VanDerWaalsContact C-N 3.34Å; E259-V261 PolarHBondContact O-N 3.32Å; E259-G262 WeakPolarHBondContact O-CA 3.25Å; E259-G262 PolarHBondContact O-N 3.41Å; E259-N263 VanDerWaalsContact O-CG 3.26Å; E259-N263 PolarHBondContact O-N 2.8Å; E259-N263 PolarHBondContact O-ND2 3.49Å |
| 260 | A | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 2% | 0.017 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.4 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | T196 L222 A256 M257 N263 I264 | T196-A260 HydrophobicContact CG2-CB 4.17Å; L222-A260 HydrophobicContact CD1-CB 4.49Å; A256-A260 PolarHBondContact O-N 3.34Å; M257-A260 WeakPolarHBondContact O-CB 3.38Å; M257-A260 PolarHBondContact O-N 3.29Å; A260-N263 PolarHBondContact O-N 2.98Å; A260-I264 WeakPolarHBondContact O-CD1 3.17Å; A260-I264 VanDerWaalsContact O-CG1 3.31Å; A260-I264 WeakPolarHBondContact O-CG1 3.09Å; A260-I264 PolarHBondContact O-N 3.46Å |
| 261 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 175.6 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | I34 L56 L59 M257 D258 E259 N263 I264 S265 F281 | I34-V261 HydrophobicContact CD1-CB 4.48Å; I34-V261 HydrophobicContact CD1-CG1 4.1Å; I34-V261 HydrophobicContact CD1-CG2 4.08Å; I34-V261 HydrophobicContact CG2-CG2 4.14Å; L56-V261 HydrophobicContact CD2-CB 4.16Å; L56-V261 HydrophobicContact CD2-CG1 3.85Å; L56-V261 HydrophobicContact CD2-CG2 4.05Å; L59-V261 HydrophobicContact CD1-CG1 3.58Å; M257-V261 WeakPolarHBondContact O-CG2 3.46Å; M257-V261 PolarHBondContact O-N 2.79Å; D258-V261 PolarHBondContact O-N 3.42Å; E259-V261 VanDerWaalsContact C-N 3.34Å; E259-V261 PolarHBondContact O-N 3.32Å; V261-N263 PolarHBondContact O-N 2.97Å; V261-I264 PolarHBondContact O-N 3.16Å; V261-S265 WeakPolarHBondContact O-CB 3.42Å; V261-S265 PolarHBondContact O-N 3.12Å; V261-S265 PolarHBondContact O-OG 2.85Å; V261-F281 HydrophobicContact CG2-CD2 4.19Å; V261-F281 HydrophobicContact CG2-CE2 4Å |
| 262 | G | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 7% | 0.072 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.9 | -50.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | N55 D258 E259 I264 S265 L266 | N55-G262 WeakPolarHBondContact OD1-CA 3.49Å; D258-G262 PolarHBondContact O-N 2.9Å; E259-G262 WeakPolarHBondContact O-CA 3.25Å; E259-G262 PolarHBondContact O-N 3.41Å; G262-I264 PolarHBondContact O-N 2.9Å; G262-S265 PolarHBondContact O-N 3.1Å; G262-S265 PolarHBondContact O-OG 3.29Å; G262-L266 VanDerWaalsContact O-CB 3.28Å; G262-L266 WeakPolarHBondContact O-CB 3.03Å; G262-L266 PolarHBondContact O-N 3.03Å |
| 263 | N | 98.9 | Very high | 98.7 | Very high | 64 Ų | 64 | 30 Ų | 30 | 34% | 0.342 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.4 | -43 | 179.3 | -70.6 | -29.5 | 0 | 0 | 0 | 112.8 | V204 E259 A260 V261 A267 | V204-N263 HydrophobicContact CG2-CB 4.29Å; E259-N263 VanDerWaalsContact O-CG 3.26Å; E259-N263 PolarHBondContact O-N 2.8Å; E259-N263 PolarHBondContact O-ND2 3.49Å; A260-N263 PolarHBondContact O-N 2.98Å; V261-N263 PolarHBondContact O-N 2.97Å; N263-A267 WeakPolarHBondContact O-CB 3.26Å; N263-A267 PolarHBondContact O-N 3.31Å |
| 264 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.4 | -48.5 | 177.4 | -69.2 | 163.1 | 0 | 0 | 0 | 110.7 | V32 I34 A203 I207 V220 A260 V261 G262 L266 A267 L268 | V32-I264 HydrophobicContact CG1-CG2 4.2Å; I34-I264 HydrophobicContact CD1-CD1 4.16Å; I34-I264 HydrophobicContact CD1-CG2 4.18Å; A203-I264 HydrophobicContact CB-CD1 3.91Å; A203-I264 HydrophobicContact CB-CG1 3.89Å; I207-I264 HydrophobicContact CD1-CG2 3.91Å; V220-I264 HydrophobicContact CG1-CD1 4.05Å; V220-I264 HydrophobicContact CG2-CD1 4.23Å; A260-I264 WeakPolarHBondContact O-CD1 3.17Å; A260-I264 VanDerWaalsContact O-CG1 3.31Å; A260-I264 WeakPolarHBondContact O-CG1 3.09Å; A260-I264 PolarHBondContact O-N 3.46Å; V261-I264 PolarHBondContact O-N 3.16Å; G262-I264 PolarHBondContact O-N 2.9Å; I264-L266 VanDerWaalsContact C-N 3.33Å; I264-L266 PolarHBondContact O-N 3.2Å; I264-A267 PolarHBondContact O-N 3.48Å; I264-L268 HydrophobicContact CG2-CD1 4.44Å; I264-L268 WeakPolarHBondContact O-CG 3.13Å; I264-L268 PolarHBondContact O-N 3.11Å; I264-L268 VanDerWaalsContact O-N 3.09Å |
| 265 | S | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -38 | 179.4 | 70.3 | 0 | 0 | 0 | 0 | 112.5 | V261 G262 L268 Q269 | V261-S265 WeakPolarHBondContact O-CB 3.42Å; V261-S265 PolarHBondContact O-N 3.12Å; V261-S265 PolarHBondContact O-OG 2.85Å; G262-S265 PolarHBondContact O-N 3.1Å; G262-S265 PolarHBondContact O-OG 3.29Å; S265-L268 PolarHBondContact O-N 2.59Å; S265-Q269 WeakPolarHBondContact O-CG 3.31Å; S265-Q269 PolarHBondContact O-N 2.96Å |
| 266 | L | 98.9 | Very high | 98.5 | Very high | 77 Ų | 77 | 38.9 Ų | 38.9 | 40% | 0.403 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.7 | -41.8 | 175.4 | 179.2 | 61.2 | 0 | 0 | 0 | 111.6 | G262 I264 L268 Q269 Q270 | G262-L266 VanDerWaalsContact O-CB 3.28Å; G262-L266 WeakPolarHBondContact O-CB 3.03Å; G262-L266 PolarHBondContact O-N 3.03Å; I264-L266 VanDerWaalsContact C-N 3.33Å; I264-L266 PolarHBondContact O-N 3.2Å; L266-L268 VanDerWaalsContact C-N 3.33Å; L266-L268 PolarHBondContact O-N 3.3Å; L266-Q269 WeakPolarHBondContact O-CB 3.36Å; L266-Q269 PolarHBondContact O-N 3.03Å; L266-Q269 VanDerWaalsContact O-N 3.14Å; L266-Q270 HydrophobicContact CD1-CG 4.19Å; L266-Q270 HydrophobicContact CG-CG 4.34Å; L266-Q270 WeakPolarHBondContact O-CG 3.49Å; L266-Q270 PolarHBondContact O-N 3.25Å |
| 267 | A | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V204 I207 N263 I264 Q269 Q270 E271 | V204-A267 HydrophobicContact CB-CB 4.32Å; V204-A267 HydrophobicContact CG1-CB 3.91Å; V204-A267 HydrophobicContact CG2-CB 3.95Å; I207-A267 HydrophobicContact CB-CB 4.44Å; I207-A267 HydrophobicContact CD1-CB 4.29Å; I207-A267 HydrophobicContact CG2-CB 3.99Å; N263-A267 WeakPolarHBondContact O-CB 3.26Å; N263-A267 PolarHBondContact O-N 3.31Å; I264-A267 PolarHBondContact O-N 3.48Å; A267-Q269 VanDerWaalsContact C-N 3.26Å; A267-Q269 PolarHBondContact O-N 2.88Å; A267-Q270 PolarHBondContact O-N 3.25Å; A267-E271 WeakPolarHBondContact O-CB 3.43Å; A267-E271 WeakPolarHBondContact O-CG 3.38Å; A267-E271 PolarHBondContact O-N 2.88Å |
| 268 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -37.9 | 174.3 | -69.5 | 164.2 | 0 | 0 | 0 | 112.2 | V32 I207 I264 S265 L266 G272 L273 W274 T277 L279 | V32-L268 HydrophobicContact CG2-CD1 4.01Å; V32-L268 HydrophobicContact CG2-CD2 4.12Å; I207-L268 HydrophobicContact CD1-CD2 4.01Å; I207-L268 HydrophobicContact CD1-CG 3.94Å; I207-L268 HydrophobicContact CG1-CD2 4.04Å; I207-L268 HydrophobicContact CG1-CG 4.49Å; I207-L268 HydrophobicContact CG2-CD2 4.18Å; I264-L268 HydrophobicContact CG2-CD1 4.44Å; I264-L268 WeakPolarHBondContact O-CG 3.13Å; I264-L268 PolarHBondContact O-N 3.11Å; I264-L268 VanDerWaalsContact O-N 3.09Å; S265-L268 PolarHBondContact O-N 2.59Å; L266-L268 VanDerWaalsContact C-N 3.33Å; L266-L268 PolarHBondContact O-N 3.3Å; L268-G272 PolarHBondContact O-N 3.19Å; L268-L273 HydrophobicContact CD2-CB 4.06Å; L268-L273 HydrophobicContact CD2-CD1 4.34Å; L268-L273 PolarHBondContact O-N 3.49Å; L268-W274 HydrophobicContact CB-CB 4.36Å; L268-W274 HydrophobicContact CB-CE3 4.2Å; L268-W274 HydrophobicContact CD1-CE3 4.18Å; L268-W274 HydrophobicContact CD1-CZ3 4.4Å; L268-W274 PolarHBondContact O-N 3.05Å; L268-T277 HydrophobicContact CD1-CG2 4.09Å; L268-L279 HydrophobicContact CD1-CD1 4.33Å |
| 269 | Q | 98.6 | Very high | 98.5 | Very high | 83 Ų | 83 | 38.7 Ų | 38.7 | 39% | 0.388 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.1 | -45.9 | 176.8 | -68.8 | 166.6 | 21.8 | 0 | 0 | 111.6 | S265 L266 A267 E271 G272 W274 | S265-Q269 WeakPolarHBondContact O-CG 3.31Å; S265-Q269 PolarHBondContact O-N 2.96Å; L266-Q269 WeakPolarHBondContact O-CB 3.36Å; L266-Q269 PolarHBondContact O-N 3.03Å; L266-Q269 VanDerWaalsContact O-N 3.14Å; A267-Q269 VanDerWaalsContact C-N 3.26Å; A267-Q269 PolarHBondContact O-N 2.88Å; Q269-E271 VanDerWaalsContact C-N 3.34Å; Q269-E271 PolarHBondContact O-N 3.04Å; Q269-G272 PolarHBondContact O-N 3.15Å; Q269-G272 VanDerWaalsContact O-N 3.14Å; Q269-W274 HydrophobicContact CB-CB 4.4Å; Q269-W274 HydrophobicContact CG-CB 3.76Å; Q269-W274 HydrophobicContact CG-CD2 4.18Å; Q269-W274 HydrophobicContact CG-CG 3.71Å |
| 270 | Q | 98.5 | Very high | 98.5 | Very high | 120 Ų | 120 | 34.6 Ų | 34.6 | 56% | 0.561 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -64.1 | -37.4 | -178.9 | -73.2 | 176.6 | -10.8 | 0 | 0 | 112.7 | L266 A267 G272 | L266-Q270 HydrophobicContact CD1-CG 4.19Å; L266-Q270 HydrophobicContact CG-CG 4.34Å; L266-Q270 WeakPolarHBondContact O-CG 3.49Å; L266-Q270 PolarHBondContact O-N 3.25Å; A267-Q270 PolarHBondContact O-N 3.25Å; Q270-G272 PolarHBondContact O-N 2.88Å |
| 271 | E | 98.1 | Very high | 98.5 | Very high | 85 Ų | 85 | 34.5 Ų | 34.5 | 40% | 0.397 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 5.9 | 177.8 | -58.7 | -56.2 | 142.8 | 0 | 0 | 113 | I207 K208 A267 Q269 L273 | I207-E271 HydrophobicContact CG2-CB 4.27Å; I207-E271 HydrophobicContact CG2-CG 4Å; K208-E271 HydrophobicContact CG-CG 4.08Å; A267-E271 WeakPolarHBondContact O-CB 3.43Å; A267-E271 WeakPolarHBondContact O-CG 3.38Å; A267-E271 PolarHBondContact O-N 2.88Å; Q269-E271 VanDerWaalsContact C-N 3.34Å; Q269-E271 PolarHBondContact O-N 3.04Å; E271-L273 HydrophobicContact CB-CG 4.17Å; E271-L273 PolarHBondContact O-N 3.15Å |
| 272 | G | 97.1 | Very high | 98.5 | Very high | 57 Ų | 57 | 34.5 Ų | 34.5 | 59% | 0.588 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 21.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L268 Q269 Q270 | L268-G272 PolarHBondContact O-N 3.19Å; Q269-G272 PolarHBondContact O-N 3.15Å; Q269-G272 VanDerWaalsContact O-N 3.14Å; Q270-G272 PolarHBondContact O-N 2.88Å |
| 273 | L | 97.9 | Very high | 98.5 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | trans | -90.4 | -22.6 | 179.1 | -56.3 | -173.4 | 0 | 0 | 0 | 112.6 | I207 L268 E271 D275 N276 T277 | I207-L273 HydrophobicContact CG2-CD1 4.15Å; L268-L273 HydrophobicContact CD2-CB 4.06Å; L268-L273 HydrophobicContact CD2-CD1 4.34Å; L268-L273 PolarHBondContact O-N 3.49Å; E271-L273 HydrophobicContact CB-CG 4.17Å; E271-L273 PolarHBondContact O-N 3.15Å; L273-D275 VanDerWaalsContact C-N 3.34Å; L273-D275 PolarHBondContact O-N 3.46Å; L273-N276 CarbonylContact O-C 3.59Å; L273-N276 PolarHBondContact O-N 3.02Å; L273-T277 PolarHBondContact O-N 3.34Å; L273-T277 PolarHBondContact O-OG1 2.65Å | ||
| 274 | W | 98.3 | Very high | 98.5 | Very high | 35 Ų | 35 | 31.1 Ų | 31.1 | 13% | 0.133 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -56.7 | -40.9 | -172.9 | -179.8 | -105.6 | 0 | 0 | 0 | 114 | L59 L268 Q269 N276 T277 L279 A317 P319 | L59-W274 HydrophobicContact CD2-CH2 3.9Å; L59-W274 HydrophobicContact CD2-CZ2 4.46Å; L268-W274 HydrophobicContact CB-CB 4.36Å; L268-W274 HydrophobicContact CB-CE3 4.2Å; L268-W274 HydrophobicContact CD1-CE3 4.18Å; L268-W274 HydrophobicContact CD1-CZ3 4.4Å; L268-W274 PolarHBondContact O-N 3.05Å; Q269-W274 HydrophobicContact CB-CB 4.4Å; Q269-W274 HydrophobicContact CG-CB 3.76Å; Q269-W274 HydrophobicContact CG-CD2 4.18Å; Q269-W274 HydrophobicContact CG-CG 3.71Å; W274-N276 PolarHBondContact O-N 3.11Å; W274-T277 PolarHBondContact O-N 2.98Å; W274-L279 HydrophobicContact CH2-CB 4.49Å; W274-L279 HydrophobicContact CZ3-CB 4.15Å; W274-L279 HydrophobicContact CZ3-CD1 4.16Å; W274-A317 HydrophobicContact CH2-CB 4.21Å; W274-P319 WeakPolarHBondContact O-CD 3.37Å |
| 275 | D | 97.2 | Very high | 98.5 | Very high | 124 Ų | 124 | 31.1 Ų | 31.1 | 66% | 0.663 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -61.3 | -20.8 | -175.7 | -69.6 | -14.2 | 0 | 0 | 0 | 113.9 | L273 | L273-D275 VanDerWaalsContact C-N 3.34Å; L273-D275 PolarHBondContact O-N 3.46Å |
| 276 | N | 97.6 | Very high | 98.5 | Very high | 46 Ų | 46 | 30.7 Ų | 30.7 | 25% | 0.246 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -123.1 | 31.5 | 175 | -166.8 | 40.8 | 0 | 0 | 0 | 111.9 | P28 P29 H30 L273 W274 | P28-N276 PolarHBondContact O-ND2 3.33Å; P29-N276 CarbonylContact C-O 3.6Å; P29-N276 VanDerWaalsContact CA-O 3.25Å; P29-N276 WeakPolarHBondContact CA-O 3.48Å; P29-N276 WeakPolarHBondContact CB-O 3.35Å; H30-N276 PolarHBondContact N-O 3.19Å; L273-N276 CarbonylContact O-C 3.59Å; L273-N276 PolarHBondContact O-N 3.02Å; W274-N276 PolarHBondContact O-N 3.11Å |
| 277 | T | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 137.8 | 177.9 | -64.1 | 0 | 0 | 0 | 0 | 112 | H30 V32 L268 L273 W274 | H30-T277 HydrophobicContact CB-CG2 4.48Å; H30-T277 CarbonylContact O-C 3.38Å; H30-T277 WeakPolarHBondContact O-CA 3.4Å; V32-T277 HydrophobicContact CG2-CG2 4.12Å; L268-T277 HydrophobicContact CD1-CG2 4.09Å; L273-T277 PolarHBondContact O-N 3.34Å; L273-T277 PolarHBondContact O-OG1 2.65Å; W274-T277 PolarHBondContact O-N 2.98Å |
| 278 | V | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 113.3 | 158.7 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | P29 H30 I31 V32 V280 V316 L320 L344 W361 | P29-V278 HydrophobicContact CB-CG2 4.19Å; P29-V278 HydrophobicContact CG-CG2 4.39Å; H30-V278 PolarHBondContact O-N 2.96Å; I31-V278 WeakPolarHBondContact CA-O 3.46Å; V32-V278 PolarHBondContact N-O 2.71Å; V278-V280 HydrophobicContact CG1-CG2 4.3Å; V278-V316 HydrophobicContact CG1-CG1 3.8Å; V278-L320 HydrophobicContact CG2-CB 4.41Å; V278-L320 HydrophobicContact CG2-CD1 3.86Å; V278-L344 HydrophobicContact CG1-CD1 4.39Å; V278-L344 HydrophobicContact CG2-CD1 4.2Å; V278-W361 HydrophobicContact CG1-CH2 4.08Å; V278-W361 HydrophobicContact CG1-CZ3 3.84Å; V278-W361 HydrophobicContact CG2-CH2 3.79Å; V278-W361 HydrophobicContact CG2-CZ2 4.44Å; V278-W361 HydrophobicContact CG2-CZ3 4.26Å |
| 279 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.2 | 173 | -175 | 150.2 | 0 | 0 | 0 | 109.2 | V32 I34 L268 W274 F315 V316 A317 | V32-L279 CarbonylContact O-C 3.58Å; V32-L279 WeakPolarHBondContact O-CA 3.37Å; I34-L279 HydrophobicContact CD1-CD1 4.22Å; L268-L279 HydrophobicContact CD1-CD1 4.33Å; W274-L279 HydrophobicContact CH2-CB 4.49Å; W274-L279 HydrophobicContact CZ3-CB 4.15Å; W274-L279 HydrophobicContact CZ3-CD1 4.16Å; L279-F315 HydrophobicContact CD2-CE2 4.03Å; L279-V316 CarbonylContact O-C 3.59Å; L279-V316 WeakPolarHBondContact O-CA 3.41Å; L279-A317 HydrophobicContact CD2-CB 4.48Å; L279-A317 PolarHBondContact N-O 3.23Å; L279-A317 PolarHBondContact O-N 3.19Å |
| 280 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.7 | 172.6 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | V32 F33 I34 V278 V316 W337 | V32-V280 PolarHBondContact O-N 3.15Å; F33-V280 HydrophobicContact CD2-CB 3.79Å; F33-V280 HydrophobicContact CD2-CG1 3.9Å; F33-V280 HydrophobicContact CD2-CG2 4.31Å; F33-V280 HydrophobicContact CE2-CB 4Å; F33-V280 HydrophobicContact CE2-CG1 3.56Å; F33-V280 HydrophobicContact CG-CB 4.28Å; F33-V280 HydrophobicContact CZ-CG1 3.93Å; I34-V280 PolarHBondContact N-O 3.29Å; V278-V280 HydrophobicContact CG1-CG2 4.3Å; V280-V316 HydrophobicContact CG2-CG2 4.25Å; V280-W337 HydrophobicContact CG1-CD2 4.39Å; V280-W337 HydrophobicContact CG1-CE3 4.41Å; V280-W337 HydrophobicContact CG1-CH2 3.63Å; V280-W337 HydrophobicContact CG1-CZ2 3.57Å; V280-W337 HydrophobicContact CG1-CZ3 4.06Å; V280-W337 HydrophobicContact CG2-CE3 4.36Å; V280-W337 HydrophobicContact CG2-CH2 4.21Å; V280-W337 HydrophobicContact CG2-CZ3 3.92Å |
| 281 | F | 99 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.8 | 167.7 | -178.2 | -89.6 | 0 | 0 | 0 | 109 | I34 A36 L39 L56 M257 V261 V313 G314 F315 | I34-F281 HydrophobicContact CB-CD2 4.08Å; I34-F281 HydrophobicContact CG2-CD2 3.97Å; I34-F281 HydrophobicContact CG2-CE2 4.18Å; I34-F281 WeakPolarHBondContact O-CA 3.28Å; A36-F281 HydrophobicContact CB-CE2 4.32Å; A36-F281 HydrophobicContact CB-CZ 3.9Å; L39-F281 HydrophobicContact CD2-CE1 3.75Å; L39-F281 HydrophobicContact CD2-CZ 3.7Å; L56-F281 HydrophobicContact CD1-CE1 4.18Å; L56-F281 HydrophobicContact CD1-CE2 4.39Å; L56-F281 HydrophobicContact CD1-CZ 3.86Å; L56-F281 HydrophobicContact CD2-CD1 4.28Å; L56-F281 HydrophobicContact CD2-CD2 3.72Å; L56-F281 HydrophobicContact CD2-CE1 4.17Å; L56-F281 HydrophobicContact CD2-CE2 3.6Å; L56-F281 HydrophobicContact CD2-CG 4.07Å; L56-F281 HydrophobicContact CD2-CZ 3.83Å; M257-F281 HydrophobicContact CE-CE2 4.39Å; M257-F281 HydrophobicContact CE-CZ 3.94Å; M257-F281 HydrophobicContact SD-CZ 4.36Å; V261-F281 HydrophobicContact CG2-CD2 4.19Å; V261-F281 HydrophobicContact CG2-CE2 4Å; F281-V313 HydrophobicContact CE1-CG1 4.1Å; F281-G314 CarbonylContact O-C 3.53Å; F281-G314 WeakPolarHBondContact O-CA 3.22Å; F281-F315 HydrophobicContact CB-CD1 4.02Å; F281-F315 HydrophobicContact CB-CD2 4.16Å; F281-F315 HydrophobicContact CB-CE1 3.59Å; F281-F315 HydrophobicContact CB-CE2 3.72Å; F281-F315 HydrophobicContact CB-CG 4.29Å; F281-F315 HydrophobicContact CB-CZ 3.42Å; F281-F315 VanDerWaalsContact CB-CZ 3.42Å; F281-F315 HydrophobicContact CD1-CD1 4.06Å; F281-F315 AromaticContact CD1-CE1 3.63Å; F281-F315 HydrophobicContact CD1-CE1 3.63Å; F281-F315 HydrophobicContact CD1-CZ 4.26Å; F281-F315 HydrophobicContact CG-CD1 4.36Å; F281-F315 AromaticContact CG-CE1 3.7Å; F281-F315 HydrophobicContact CG-CE1 3.7Å; F281-F315 AromaticContact CG-CZ 3.84Å; F281-F315 HydrophobicContact CG-CZ 3.84Å; F281-F315 PolarHBondContact N-O 3.24Å; F281-F315 PolarHBondContact O-N 2.9Å |
| 282 | S | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 152.6 | 177.6 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | I34 L35 A36 Y69 V313 | I34-S282 PolarHBondContact O-N 2.7Å; L35-S282 CarbonylContact C-O 3.57Å; L35-S282 VanDerWaalsContact CA-O 3.31Å; L35-S282 WeakPolarHBondContact CA-O 3.41Å; A36-S282 PolarHBondContact N-O 3.04Å; Y69-S282 VanDerWaalsContact CE1-OG 3.25Å; Y69-S282 WeakPolarHBondContact CE1-OG 3.48Å; Y69-S282 PolarHBondContact OH-OG 3.14Å; S282-V313 WeakPolarHBondContact CA-O 3.25Å |
| 283 | T | 98.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 161.1 | 154.5 | -168.1 | 0 | 0 | 0 | 0 | 111 | L35 A36 L39 V71 N285 A312 V313 | L35-T283 WeakPolarHBondContact CD1-O 3.24Å; A36-T283 CarbonylContact O-C 3.55Å; A36-T283 WeakPolarHBondContact O-CA 3.16Å; A36-T283 PolarHBondContact O-OG1 3.24Å; L39-T283 PolarHBondContact N-OG1 3.17Å; L39-T283 PolarHBondContact O-OG1 3.09Å; V71-T283 WeakPolarHBondContact CG1-O 3.38Å; T283-N285 WeakPolarHBondContact CG2-O 3.4Å; T283-N285 PolarHBondContact OG1-O 2.82Å; T283-A312 HydrophobicContact CG2-CB 3.69Å; T283-V313 HydrophobicContact CG2-CB 4.29Å; T283-V313 PolarHBondContact N-O 2.96Å |
| 284 | D | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -88 | -24.7 | 172.4 | 73.5 | -21.4 | 0 | 0 | 0 | 113.4 | L35 A36 D37 D38 V71 C75 S78 R79 | L35-D284 HydrophobicContact CD1-CB 3.99Å; L35-D284 HydrophobicContact CD2-CB 3.91Å; L35-D284 HydrophobicContact CG-CB 4Å; A36-D284 PolarHBondContact O-N 3.14Å; D37-D284 WeakPolarHBondContact CA-OD1 3.02Å; D38-D284 PolarHBondContact N-OD1 3.04Å; V71-D284 WeakPolarHBondContact CB-O 3.3Å; V71-D284 VanDerWaalsContact CG2-O 3.25Å; V71-D284 WeakPolarHBondContact CG2-O 3.38Å; C75-D284 WeakPolarHBondContact CA-OD2 3.35Å; C75-D284 WeakPolarHBondContact CB-OD2 3.31Å; S78-D284 WeakPolarHBondContact CB-O 3.15Å; S78-D284 PolarHBondContact OG-O 3.47Å; R79-D284 IonicContact CZ-OD2 2.6Å; R79-D284 IonicContact NE-OD2 3.45Å; R79-D284 PolarHBondContact NE-OD2 2.96Å; R79-D284 VanDerWaalsContact NE-OD2 3.13Å; R79-D284 IonicContact NH2-OD2 3.54Å; R79-D284 PolarHBondContact NH2-OD2 3.42Å |
| 285 | N | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -159.4 | 171.2 | 174.4 | 49.5 | -120.6 | 0 | 0 | 0 | 110.8 | D38 Q72 V74 C75 T283 | D38-N285 PolarHBondContact OD1-ND2 3.44Å; Q72-N285 WeakPolarHBondContact O-CB 3.45Å; V74-N285 WeakPolarHBondContact CA-OD1 3.47Å; C75-N285 PolarHBondContact N-OD1 2.99Å; T283-N285 WeakPolarHBondContact CG2-O 3.4Å; T283-N285 PolarHBondContact OG1-O 2.82Å |
| 286 | G | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | trans | -59.6 | 161.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K302 G308 G309 | G286-K302 WeakPolarHBondContact O-CB 3.42Å; G286-G308 WeakPolarHBondContact CA-O 3.5Å; G286-G309 PolarHBondContact N-O 3.23Å | ||
| 287 | G | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | trans | -68.4 | 146.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N295 R301 K302 | G287-N295 PolarHBondContact N-ND2 2.84Å; G287-N295 PolarHBondContact N-OD1 3.42Å; G287-N295 PolarHBondContact O-ND2 3.04Å; G287-R301 WeakPolarHBondContact O-CB 3.25Å; G287-K302 PolarHBondContact O-N 3.02Å; G287-K302 VanDerWaalsContact O-N 3.13Å | ||
| 288 | Q | 95.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 9 Ų | 9 | 4% | 0.037 | 5% | 0.045 | C | C | . | . | trans | -91.8 | 106.8 | 175.2 | -179.4 | 48.3 | -91.7 | 0 | 0 | 110.6 | V290 Y291 A292 G293 K302 | Q288-V290 VanDerWaalsContact C-N 3.28Å; Q288-V290 HydrophobicContact CG-CB 4.39Å; Q288-V290 PolarHBondContact O-N 2.91Å; Q288-Y291 HydrophobicContact CB-CD2 4.33Å; Q288-Y291 HydrophobicContact CG-CD2 3.5Å; Q288-Y291 VanDerWaalsContact CG-CD2 3.5Å; Q288-Y291 HydrophobicContact CG-CE2 4.25Å; Q288-Y291 HydrophobicContact CG-CG 4.25Å; Q288-Y291 CarbonylContact O-C 3.16Å; Q288-Y291 WeakPolarHBondContact O-CA 3.17Å; Q288-Y291 PolarHBondContact O-N 2.89Å; Q288-A292 PolarHBondContact O-N 3.2Å; Q288-G293 PolarHBondContact O-N 2.7Å; Q288-K302 HydrophobicContact CB-CB 4.04Å; Q288-K302 HydrophobicContact CB-CD 3.96Å; Q288-K302 HydrophobicContact CG-CD 4.49Å | ||
| 289 | T | 92.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 10 Ų | 10 | 2% | 0.018 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -70.4 | -21.2 | -173.2 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | Y291 A292 G293 R301 F447 | T289-Y291 VanDerWaalsContact C-N 3.28Å; T289-A292 PolarHBondContact O-N 2.89Å; T289-G293 VanDerWaalsContact CA-O 3.28Å; T289-G293 WeakPolarHBondContact CA-O 3.22Å; T289-G293 WeakPolarHBondContact CG2-O 3.47Å; T289-R301 HydrophobicContact CG2-CB 3.94Å; T289-R301 WeakPolarHBondContact OG1-CD 3.49Å; T289-F447 HydrophobicContact CG2-CB 3.84Å; T289-F447 HydrophobicContact CG2-CD1 4.1Å; T289-F447 HydrophobicContact CG2-CD2 3.64Å; T289-F447 HydrophobicContact CG2-CE2 4.2Å; T289-F447 HydrophobicContact CG2-CG 3.57Å; T289-F447 WeakPolarHBondContact OG1-CD1 3.31Å; T289-F447 VanDerWaalsContact OG1-CE1 3.27Å; T289-F447 WeakPolarHBondContact OG1-CE1 3.31Å; T289-F447 WeakPolarHBondContact OG1-CZ 3.46Å |
| 290 | V | 89 | Confident | 96.6 | Very high | 11 Ų | 11 | 10 Ų | 10 | 7% | 0.067 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -66.8 | -33.5 | 169.3 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | Q288 A292 | Q288-V290 VanDerWaalsContact C-N 3.28Å; Q288-V290 HydrophobicContact CG-CB 4.39Å; Q288-V290 PolarHBondContact O-N 2.91Å; V290-A292 VanDerWaalsContact C-N 3.34Å |
| 291 | Y | 93.6 | Very high | 96.4 | Very high | 50 Ų | 50 | 10.7 Ų | 10.7 | 20% | 0.196 | 5% | 0.051 | C | C | . | . | G | 310 helix | trans | -102.9 | 34 | 174.4 | -58.3 | -55.7 | 0 | 0 | 0 | 111.5 | Y250 Q288 T289 G293 P388 E390 | Y250-Y291 VanDerWaalsContact CD2-O 3.31Å; Y250-Y291 WeakPolarHBondContact CD2-O 3.48Å; Q288-Y291 HydrophobicContact CB-CD2 4.33Å; Q288-Y291 HydrophobicContact CG-CD2 3.5Å; Q288-Y291 VanDerWaalsContact CG-CD2 3.5Å; Q288-Y291 HydrophobicContact CG-CE2 4.25Å; Q288-Y291 HydrophobicContact CG-CG 4.25Å; Q288-Y291 CarbonylContact O-C 3.16Å; Q288-Y291 WeakPolarHBondContact O-CA 3.17Å; Q288-Y291 PolarHBondContact O-N 2.89Å; T289-Y291 VanDerWaalsContact C-N 3.28Å; Y291-G293 PolarHBondContact O-N 3.01Å; Y291-P388 HydrophobicContact CE2-CG 4.08Å; Y291-P388 WeakPolarHBondContact OH-CG 3.48Å; Y291-E390 WeakPolarHBondContact CE1-OE1 3.29Å; Y291-E390 PolarHBondContact OH-OE1 2.8Å; Y291-E390 VanDerWaalsContact OH-OE1 3.04Å |
| 292 | A | 95 | Very high | 96.3 | Very high | 8 Ų | 8 | 11.6 Ų | 11.6 | 7% | 0.066 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 7.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | L229 H246 R247 Y250 Q288 T289 V290 | L229-A292 HydrophobicContact CD1-CB 4.48Å; H246-A292 VanDerWaalsContact C-CB 3.48Å; H246-A292 HydrophobicContact CB-CB 3.84Å; R247-A292 HydrophobicContact CB-CB 4.22Å; R247-A292 WeakPolarHBondContact CD-O 3.42Å; R247-A292 PolarHBondContact NH1-O 3.14Å; Y250-A292 HydrophobicContact CG-CB 4.42Å; Q288-A292 PolarHBondContact O-N 3.2Å; T289-A292 PolarHBondContact O-N 2.89Å; V290-A292 VanDerWaalsContact C-N 3.34Å |
| 293 | G | 96.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 2% | 0.021 | 6% | 0.063 | C | C | . | . | trans | -62.7 | 152.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D43 Q288 T289 Y291 | D43-G293 WeakPolarHBondContact OD2-CA 3.45Å; Q288-G293 PolarHBondContact O-N 2.7Å; T289-G293 VanDerWaalsContact CA-O 3.28Å; T289-G293 WeakPolarHBondContact CA-O 3.22Å; T289-G293 WeakPolarHBondContact CG2-O 3.47Å; Y291-G293 PolarHBondContact O-N 3.01Å | ||
| 294 | S | 97.4 | Very high | 96 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.021 | 6% | 0.063 | C | C | . | . | trans | -133.2 | 132 | -179.2 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | G40 W41 Y42 D43 | G40-S294 CarbonylContact C-O 3.21Å; G40-S294 VanDerWaalsContact CA-O 3.26Å; G40-S294 WeakPolarHBondContact CA-O 3.44Å; W41-S294 PolarHBondContact N-O 3.44Å; W41-S294 VanDerWaalsContact N-O 3.12Å; Y42-S294 WeakPolarHBondContact CB-O 3.18Å; Y42-S294 PolarHBondContact N-O 3.42Å; D43-S294 WeakPolarHBondContact OD1-CB 3.47Å; D43-S294 PolarHBondContact OD1-N 2.95Å; D43-S294 PolarHBondContact OD2-N 3.46Å | ||
| 295 | N | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.011 | 6% | 0.063 | C | C | . | . | trans | -108.7 | 10.2 | 177.4 | -55 | -56.9 | 0 | 0 | 0 | 112.9 | G40 W41 G287 L298 R301 G308 | G40-N295 WeakPolarHBondContact CA-OD1 3.4Å; W41-N295 HydrophobicContact CB-CB 4.34Å; W41-N295 PolarHBondContact N-OD1 3.08Å; G287-N295 PolarHBondContact N-ND2 2.84Å; G287-N295 PolarHBondContact N-OD1 3.42Å; G287-N295 PolarHBondContact O-ND2 3.04Å; N295-L298 HydrophobicContact CB-CB 4.46Å; N295-L298 WeakPolarHBondContact O-CA 3.49Å; N295-L298 WeakPolarHBondContact O-CB 3.34Å; N295-L298 WeakPolarHBondContact O-CG 3.22Å; N295-L298 PolarHBondContact O-N 2.84Å; N295-R301 WeakPolarHBondContact ND2-CA 3.18Å; N295-G308 PolarHBondContact ND2-O 2.95Å; N295-G308 VanDerWaalsContact ND2-O 3.08Å; N295-G308 PolarHBondContact OD1-O 3.44Å | ||
| 296 | W | 96.5 | Very high | 96 | Very high | 58 Ų | 58 | 13.1 Ų | 13.1 | 22% | 0.22 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 137 | -176.9 | -178.8 | -95.6 | 0 | 0 | 0 | 112 | Y42 W446 F447 R449 | Y42-W296 VanDerWaalsContact CB-O 3.31Å; Y42-W296 WeakPolarHBondContact CB-O 3.43Å; Y42-W296 HydrophobicContact CD1-CB 4.48Å; Y42-W296 HydrophobicContact CD2-CB 4.39Å; Y42-W296 WeakPolarHBondContact CD2-O 3.47Å; Y42-W296 HydrophobicContact CG-CB 4.05Å; W296-W446 HydrophobicContact CZ3-CB 4.33Å; W296-F447 VanDerWaalsContact CE3-O 3.31Å; W296-R449 HydrophobicContact CD2-CB 4.5Å; W296-R449 HydrophobicContact CG-CB 4.22Å |
| 297 | P | 96.1 | Very high | 96 | Very high | 34 Ų | 34 | 13.1 Ų | 13.1 | 22% | 0.221 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -90.6 | 11.6 | 1.7 | 38.5 | -37.1 | 0 | 0 | 0 | 114.3 | W446 E478 | P297-W446 VanDerWaalsContact O-CD1 3.28Å; P297-E478 HydrophobicContact CB-CG 4.03Å; P297-E478 HydrophobicContact CG-CG 3.97Å |
| 298 | L | 97.8 | Very high | 96 | Very high | 6 Ų | 6 | 13.1 Ų | 13.1 | 3% | 0.031 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -68.4 | 148.7 | -178.8 | -49.7 | -178.8 | 0 | 0 | 0 | 111.7 | W41 N295 E307 R311 P477 | W41-L298 HydrophobicContact CB-CD1 3.79Å; W41-L298 HydrophobicContact CB-CG 4.38Å; W41-L298 HydrophobicContact CD2-CD1 3.63Å; W41-L298 HydrophobicContact CD2-CG 4.43Å; W41-L298 HydrophobicContact CE3-CD1 4.03Å; W41-L298 HydrophobicContact CG-CD1 3.51Å; W41-L298 HydrophobicContact CG-CG 4.01Å; N295-L298 HydrophobicContact CB-CB 4.46Å; N295-L298 WeakPolarHBondContact O-CA 3.49Å; N295-L298 WeakPolarHBondContact O-CB 3.34Å; N295-L298 WeakPolarHBondContact O-CG 3.22Å; N295-L298 PolarHBondContact O-N 2.84Å; L298-E307 HydrophobicContact CB-CB 4.2Å; L298-E307 HydrophobicContact CD1-CB 4.34Å; L298-E307 HydrophobicContact CD2-CB 4.26Å; L298-R311 HydrophobicContact CD1-CB 4Å; L298-R311 HydrophobicContact CD1-CG 4.42Å; L298-P477 WeakPolarHBondContact CD2-O 3.4Å |
| 299 | R | 95.5 | Very high | 96.2 | Very high | 23 Ų | 23 | 12.7 Ų | 12.7 | 9% | 0.087 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -75.7 | 141.9 | 178.9 | -166.1 | 177.2 | -171 | 172.4 | -3.7 | 111.3 | W306 G308 E444 W446 E479 | R299-W306 HydrophobicContact CB-CB 4.25Å; R299-W306 HydrophobicContact CG-CB 4.41Å; R299-W306 HydrophobicContact CG-CD2 4.18Å; R299-W306 HydrophobicContact CG-CE3 4.34Å; R299-W306 HydrophobicContact CG-CG 4.22Å; R299-W306 WeakPolarHBondContact O-CB 3.45Å; R299-G308 WeakPolarHBondContact O-CA 3.47Å; R299-G308 PolarHBondContact O-N 3.27Å; R299-E444 WeakPolarHBondContact CG-O 3.45Å; R299-E444 PolarHBondContact NE-O 2.91Å; R299-W446 HydrophobicContact CB-CD2 4.23Å; R299-W446 HydrophobicContact CB-CZ2 4.04Å; R299-W446 VanDerWaalsContact CD-CH2 3.45Å; R299-W446 HydrophobicContact CG-CD2 3.83Å; R299-W446 HydrophobicContact CG-CE3 4.12Å; R299-W446 HydrophobicContact CG-CG 4.42Å; R299-W446 HydrophobicContact CG-CH2 4.11Å; R299-W446 HydrophobicContact CG-CZ2 3.77Å; R299-W446 HydrophobicContact CG-CZ3 4.25Å; R299-W446 VanDerWaalsContact CZ-CZ3 3.49Å; R299-W446 VanDerWaalsContact NE-CZ3 3.33Å; R299-E479 HydrophobicContact CB-CB 4.4Å; R299-E479 PolarHBondContact NH1-O 3.07Å |
| 300 | G | 94.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | trans | 76.1 | -160.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C443 V445 | G300-C443 WeakPolarHBondContact CA-O 3.49Å; G300-V445 WeakPolarHBondContact CA-O 3.38Å; G300-V445 PolarHBondContact N-O 3.34Å | ||
| 301 | R | 94.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 13 Ų | 13 | 5% | 0.049 | 6% | 0.061 | C | C | . | . | trans | -160.6 | -178.4 | -169.7 | 58.1 | -179.3 | 176.7 | 114.3 | 4.9 | 112 | G287 T289 N295 S304 G309 A387 F447 | G287-R301 WeakPolarHBondContact O-CB 3.25Å; T289-R301 HydrophobicContact CG2-CB 3.94Å; T289-R301 WeakPolarHBondContact OG1-CD 3.49Å; N295-R301 WeakPolarHBondContact ND2-CA 3.18Å; R301-S304 PolarHBondContact N-OG 2.99Å; R301-S304 VanDerWaalsContact N-OG 3.12Å; R301-S304 WeakPolarHBondContact O-CB 3.4Å; R301-S304 PolarHBondContact O-N 3.01Å; R301-S304 PolarHBondContact O-OG 3.28Å; R301-G309 WeakPolarHBondContact O-CA 3.44Å; R301-A387 VanDerWaalsContact CZ-CB 3.5Å; R301-F447 HydrophobicContact CB-CD2 4.49Å; R301-F447 HydrophobicContact CB-CE2 4.12Å; R301-F447 HydrophobicContact CG-CE2 3.86Å; R301-F447 HydrophobicContact CG-CZ 4.35Å | ||
| 302 | K | 96.9 | Very high | 97.2 | Very high | 20 Ų | 20 | 10.7 Ų | 10.7 | 9% | 0.087 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -40 | 142.7 | 164.4 | -174.4 | 179.8 | -175 | 165.2 | 0 | 111.3 | D38 P73 V74 H226 G286 G287 Q288 S304 | D38-K302 VanDerWaalsContact OD1-CD 3.27Å; D38-K302 WeakPolarHBondContact OD1-CD 3.09Å; D38-K302 VanDerWaalsContact OD1-CE 3.23Å; D38-K302 WeakPolarHBondContact OD1-CE 3.32Å; D38-K302 IonicContact OD1-NZ 3.16Å; D38-K302 PolarHBondContact OD1-NZ 2.94Å; D38-K302 WeakPolarHBondContact OD2-CD 3.38Å; D38-K302 IonicContact OD2-NZ 2.67Å; D38-K302 PolarHBondContact OD2-NZ 3.32Å; P73-K302 WeakPolarHBondContact O-CG 3.46Å; V74-K302 HydrophobicContact CG1-CG 4.25Å; H226-K302 PolarHBondContact CD2-NZ 2.9Å; H226-K302 PolarHBondContact NE2-NZ 2.84Å; G286-K302 WeakPolarHBondContact O-CB 3.42Å; G287-K302 PolarHBondContact O-N 3.02Å; G287-K302 VanDerWaalsContact O-N 3.13Å; Q288-K302 HydrophobicContact CB-CB 4.04Å; Q288-K302 HydrophobicContact CB-CD 3.96Å; Q288-K302 HydrophobicContact CG-CD 4.49Å; K302-S304 VanDerWaalsContact C-N 3.28Å; K302-S304 PolarHBondContact O-N 2.83Å |
| 303 | L | 95.4 | Very high | 97.3 | Very high | 32 Ų | 32 | 10.3 Ų | 10.3 | 17% | 0.168 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -18.2 | -170.8 | -62.5 | 156.4 | 0 | 0 | 0 | 115.8 | P73 V74 Y383 A387 | P73-L303 PolarHBondContact O-N 3.37Å; V74-L303 HydrophobicContact CG1-CB 4.45Å; V74-L303 HydrophobicContact CG1-CD2 3.46Å; V74-L303 VanDerWaalsContact CG1-CD2 3.46Å; V74-L303 HydrophobicContact CG1-CG 3.9Å; L303-Y383 WeakPolarHBondContact O-CE2 3.09Å; L303-Y383 PolarHBondContact O-OH 2.94Å; L303-A387 HydrophobicContact CD1-CB 3.77Å |
| 304 | S | 96.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.007 | 5% | 0.049 | C | C | . | . | trans | -100.1 | 150.9 | -177.3 | 74.6 | 0 | 0 | 0 | 0 | 113.6 | P73 R301 K302 W306 G309 P441 | P73-S304 VanDerWaalsContact CB-O 3.26Å; P73-S304 WeakPolarHBondContact CB-O 3.21Å; R301-S304 PolarHBondContact N-OG 2.99Å; R301-S304 VanDerWaalsContact N-OG 3.12Å; R301-S304 WeakPolarHBondContact O-CB 3.4Å; R301-S304 PolarHBondContact O-N 3.01Å; R301-S304 PolarHBondContact O-OG 3.28Å; K302-S304 VanDerWaalsContact C-N 3.28Å; K302-S304 PolarHBondContact O-N 2.83Å; S304-W306 VanDerWaalsContact C-N 3.27Å; S304-G309 WeakPolarHBondContact O-CA 3.43Å; S304-P441 CarbonylContact C-O 3.47Å; S304-P441 WeakPolarHBondContact CA-O 3.49Å; S304-P441 WeakPolarHBondContact CB-O 2.96Å | ||
| 305 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -84.7 | 3.4 | 172.2 | -67.5 | -179.5 | 0 | 0 | 0 | 113.6 | P73 V310 H377 N378 H426 A428 K435 L437 P441 | P73-L305 HydrophobicContact CG-CD2 3.95Å; L305-V310 HydrophobicContact CD2-CG1 4.02Å; L305-H377 HydrophobicContact CD2-CB 3.88Å; L305-N378 HydrophobicContact CD2-CB 4.29Å; L305-H426 WeakPolarHBondContact CD1-NE2 3.48Å; L305-H426 VanDerWaalsContact CG-CE1 3.48Å; L305-H426 WeakPolarHBondContact CG-CE1 3.37Å; L305-H426 VanDerWaalsContact CG-NE2 3.32Å; L305-H426 WeakPolarHBondContact CG-NE2 3.42Å; L305-A428 HydrophobicContact CB-CB 3.93Å; L305-A428 HydrophobicContact CD1-CB 3.76Å; L305-A428 HydrophobicContact CG-CB 4.36Å; L305-K435 VanDerWaalsContact O-CE 3.27Å; L305-K435 WeakPolarHBondContact O-CE 3.07Å; L305-K435 PolarHBondContact O-NZ 2.93Å; L305-L437 HydrophobicContact CB-CD2 4.2Å; L305-P441 HydrophobicContact CB-CB 4.43Å; L305-P441 PolarHBondContact N-O 3.23Å |
| 306 | W | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -63.6 | 158.5 | 166.7 | -59.1 | 117.1 | 0 | 0 | 0 | 111.2 | R299 S304 G308 G309 V310 L437 P441 G442 E444 L465 M469 F471 E479 | R299-W306 HydrophobicContact CB-CB 4.25Å; R299-W306 HydrophobicContact CG-CB 4.41Å; R299-W306 HydrophobicContact CG-CD2 4.18Å; R299-W306 HydrophobicContact CG-CE3 4.34Å; R299-W306 HydrophobicContact CG-CG 4.22Å; R299-W306 WeakPolarHBondContact O-CB 3.45Å; S304-W306 VanDerWaalsContact C-N 3.27Å; W306-G308 PolarHBondContact O-N 3.2Å; W306-G308 VanDerWaalsContact O-N 3.12Å; W306-G309 PolarHBondContact O-N 2.79Å; W306-V310 WeakPolarHBondContact O-CG2 3.44Å; W306-V310 PolarHBondContact O-N 3.32Å; W306-L437 HydrophobicContact CD2-CD2 4.22Å; W306-L437 HydrophobicContact CE3-CD1 4.39Å; W306-L437 HydrophobicContact CE3-CD2 3.83Å; W306-L437 HydrophobicContact CZ3-CD1 4.14Å; W306-L437 HydrophobicContact CZ3-CD2 4.14Å; W306-P441 HydrophobicContact CD2-CB 4.31Å; W306-P441 HydrophobicContact CH2-CG 4.38Å; W306-P441 HydrophobicContact CZ2-CB 4.14Å; W306-P441 HydrophobicContact CZ2-CG 3.84Å; W306-G442 PolarHBondContact NE1-O 3.22Å; W306-E444 HydrophobicContact CZ2-CB 3.54Å; W306-E444 VanDerWaalsContact NE1-CA 3.35Å; W306-L465 HydrophobicContact CZ2-CD2 4.03Å; W306-M469 HydrophobicContact CH2-CE 3.94Å; W306-M469 HydrophobicContact CH2-SD 3.56Å; W306-M469 VanDerWaalsContact CH2-SD 3.56Å; W306-M469 HydrophobicContact CZ2-CE 4.24Å; W306-M469 HydrophobicContact CZ2-SD 4.22Å; W306-F471 HydrophobicContact CH2-CE2 4.4Å; W306-F471 HydrophobicContact CH2-CZ 4.45Å; W306-F471 AromaticContact CZ3-CE2 3.69Å; W306-F471 HydrophobicContact CZ3-CE2 3.69Å; W306-F471 AromaticContact CZ3-CZ 3.92Å; W306-F471 HydrophobicContact CZ3-CZ 3.92Å; W306-E479 HydrophobicContact CE3-CB 4.48Å |
| 307 | E | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -53.5 | -37 | -177.2 | -73.5 | -63.6 | 91.1 | 0 | 0 | 112.3 | Y70 L298 G309 V310 R311 K435 E479 | Y70-E307 VanDerWaalsContact CE1-OE1 3.3Å; Y70-E307 WeakPolarHBondContact CE1-OE1 3.25Å; Y70-E307 WeakPolarHBondContact CE1-OE2 3.48Å; Y70-E307 PolarHBondContact OH-OE2 3.41Å; L298-E307 HydrophobicContact CB-CB 4.2Å; L298-E307 HydrophobicContact CD1-CB 4.34Å; L298-E307 HydrophobicContact CD2-CB 4.26Å; E307-G309 PolarHBondContact O-N 3.31Å; E307-V310 PolarHBondContact O-N 3.03Å; E307-R311 HydrophobicContact CB-CB 4.42Å; E307-R311 WeakPolarHBondContact O-CA 3.49Å; E307-R311 WeakPolarHBondContact O-CB 3.26Å; E307-R311 PolarHBondContact O-N 3.33Å; E307-R311 IonicContact OE2-NH1 3.67Å; E307-R311 PolarHBondContact OE2-NH1 3.21Å; E307-K435 WeakPolarHBondContact OE1-CD 3.06Å; E307-K435 WeakPolarHBondContact OE1-CE 3.46Å; E307-K435 IonicContact OE1-NZ 3.79Å; E307-K435 PolarHBondContact OE1-NZ 2.85Å; E307-E479 HydrophobicContact CG-CG 3.9Å; E307-E479 PolarHBondContact N-OE2 3.06Å |
| 308 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -69.8 | -8.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | G286 N295 R299 W306 | G286-G308 WeakPolarHBondContact CA-O 3.5Å; N295-G308 PolarHBondContact ND2-O 2.95Å; N295-G308 VanDerWaalsContact ND2-O 3.08Å; N295-G308 PolarHBondContact OD1-O 3.44Å; R299-G308 WeakPolarHBondContact O-CA 3.47Å; R299-G308 PolarHBondContact O-N 3.27Å; W306-G308 PolarHBondContact O-N 3.2Å; W306-G308 VanDerWaalsContact O-N 3.12Å |
| 309 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -99.4 | -30.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114 | P73 G286 R301 S304 W306 E307 | P73-G309 WeakPolarHBondContact CA-O 3.33Å; G286-G309 PolarHBondContact N-O 3.23Å; R301-G309 WeakPolarHBondContact O-CA 3.44Å; S304-G309 WeakPolarHBondContact O-CA 3.43Å; W306-G309 PolarHBondContact O-N 2.79Å; E307-G309 PolarHBondContact O-N 3.31Å |
| 310 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -116.4 | -22.1 | -170.1 | -62.3 | 0 | 0 | 0 | 0 | 115.1 | Y70 V71 P73 L305 W306 E307 | Y70-V310 CarbonylContact C-O 3.6Å; Y70-V310 VanDerWaalsContact CA-O 3.29Å; Y70-V310 WeakPolarHBondContact CA-O 3.37Å; Y70-V310 HydrophobicContact CD1-CB 4.35Å; Y70-V310 HydrophobicContact CD1-CG2 3.96Å; Y70-V310 HydrophobicContact CE1-CG2 4.23Å; V71-V310 PolarHBondContact N-O 2.86Å; P73-V310 HydrophobicContact CB-CG1 4.07Å; P73-V310 HydrophobicContact CG-CG1 4.48Å; L305-V310 HydrophobicContact CD2-CG1 4.02Å; W306-V310 WeakPolarHBondContact O-CG2 3.44Å; W306-V310 PolarHBondContact O-N 3.32Å; E307-V310 PolarHBondContact O-N 3.03Å |
| 311 | R | 98.8 | Very high | 98.1 | Very high | 21 Ų | 21 | 11.7 Ų | 11.7 | 8% | 0.079 | 7% | 0.066 | C | C | . | . | B | Isolated β-bridge | trans | -83.9 | 123.3 | 176.7 | -165.8 | -175.8 | -171.9 | 149.7 | -8 | 109 | W41 E67 Y70 L298 E307 P477 | W41-R311 HydrophobicContact CE3-CG 4.22Å; W41-R311 HydrophobicContact CH2-CG 4.26Å; W41-R311 HydrophobicContact CZ3-CG 3.77Å; E67-R311 VanDerWaalsContact O-CZ 3.25Å; E67-R311 PolarHBondContact O-NE 2.87Å; E67-R311 PolarHBondContact O-NH2 3.27Å; Y70-R311 HydrophobicContact CD1-CB 4.2Å; Y70-R311 HydrophobicContact CE1-CB 3.9Å; Y70-R311 HydrophobicContact CE1-CG 4.11Å; L298-R311 HydrophobicContact CD1-CB 4Å; L298-R311 HydrophobicContact CD1-CG 4.42Å; E307-R311 HydrophobicContact CB-CB 4.42Å; E307-R311 WeakPolarHBondContact O-CA 3.49Å; E307-R311 WeakPolarHBondContact O-CB 3.26Å; E307-R311 PolarHBondContact O-N 3.33Å; E307-R311 IonicContact OE2-NH1 3.67Å; E307-R311 PolarHBondContact OE2-NH1 3.21Å; R311-P477 VanDerWaalsContact NH1-CB 3.25Å |
| 312 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -110.7 | 141.6 | -162.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | W41 Y69 V71 T283 G314 | W41-A312 WeakPolarHBondContact CZ3-O 2.9Å; Y69-A312 HydrophobicContact CD1-CB 3.59Å; Y69-A312 HydrophobicContact CE1-CB 3.6Å; Y69-A312 PolarHBondContact O-N 3.47Å; V71-A312 HydrophobicContact CB-CB 4.15Å; V71-A312 HydrophobicContact CG1-CB 3.42Å; V71-A312 VanDerWaalsContact CG1-CB 3.42Å; V71-A312 HydrophobicContact CG2-CB 3.69Å; T283-A312 HydrophobicContact CG2-CB 3.69Å; A312-G314 PolarHBondContact O-N 2.97Å | ||
| 313 | V | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | trans | -60.3 | 125 | 160.5 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | L39 G40 W41 V44 Y46 F281 S282 T283 | L39-V313 HydrophobicContact CD2-CB 4.34Å; L39-V313 HydrophobicContact CD2-CG1 3.97Å; G40-V313 WeakPolarHBondContact O-CG2 3.39Å; W41-V313 HydrophobicContact CE3-CG2 4.47Å; V44-V313 HydrophobicContact CG1-CG1 3.88Å; V44-V313 HydrophobicContact CG2-CG1 4.11Å; V44-V313 HydrophobicContact CG2-CG2 4.41Å; Y46-V313 WeakPolarHBondContact OH-CG1 3.39Å; F281-V313 HydrophobicContact CE1-CG1 4.1Å; S282-V313 WeakPolarHBondContact CA-O 3.25Å; T283-V313 HydrophobicContact CG2-CB 4.29Å; T283-V313 PolarHBondContact N-O 2.96Å | ||
| 314 | G | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169 | 149.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | L66 F281 A312 | L66-G314 PolarHBondContact N-O 3.46Å; F281-G314 CarbonylContact O-C 3.53Å; F281-G314 WeakPolarHBondContact O-CA 3.22Å; A312-G314 PolarHBondContact O-N 2.97Å |
| 315 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 161.4 | 173.3 | 63.3 | -98.9 | 0 | 0 | 0 | 111.4 | Y46 L56 L59 V64 L279 F281 A317 | Y46-F315 HydrophobicContact CE1-CD1 4.38Å; Y46-F315 HydrophobicContact CE1-CE1 4.49Å; L56-F315 HydrophobicContact CB-CE1 4.26Å; L56-F315 HydrophobicContact CD2-CE1 3.91Å; L56-F315 HydrophobicContact CD2-CZ 3.91Å; L59-F315 HydrophobicContact CB-CD2 4.5Å; L59-F315 HydrophobicContact CB-CE2 3.58Å; L59-F315 HydrophobicContact CB-CZ 3.78Å; L59-F315 HydrophobicContact CD1-CE2 4.46Å; L59-F315 HydrophobicContact CD1-CZ 4.38Å; V64-F315 CarbonylContact O-C 3.59Å; V64-F315 VanDerWaalsContact O-CA 3.25Å; V64-F315 WeakPolarHBondContact O-CA 3.38Å; V64-F315 WeakPolarHBondContact O-CB 3.45Å; L279-F315 HydrophobicContact CD2-CE2 4.03Å; F281-F315 HydrophobicContact CB-CD1 4.02Å; F281-F315 HydrophobicContact CB-CD2 4.16Å; F281-F315 HydrophobicContact CB-CE1 3.59Å; F281-F315 HydrophobicContact CB-CE2 3.72Å; F281-F315 HydrophobicContact CB-CG 4.29Å; F281-F315 HydrophobicContact CB-CZ 3.42Å; F281-F315 VanDerWaalsContact CB-CZ 3.42Å; F281-F315 HydrophobicContact CD1-CD1 4.06Å; F281-F315 AromaticContact CD1-CE1 3.63Å; F281-F315 HydrophobicContact CD1-CE1 3.63Å; F281-F315 HydrophobicContact CD1-CZ 4.26Å; F281-F315 HydrophobicContact CG-CD1 4.36Å; F281-F315 AromaticContact CG-CE1 3.7Å; F281-F315 HydrophobicContact CG-CE1 3.7Å; F281-F315 AromaticContact CG-CZ 3.84Å; F281-F315 HydrophobicContact CG-CZ 3.84Å; F281-F315 PolarHBondContact N-O 3.24Å; F281-F315 PolarHBondContact O-N 2.9Å; F315-A317 HydrophobicContact CD2-CB 4.19Å; F315-A317 HydrophobicContact CE2-CB 4.17Å |
| 316 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.8 | 168.5 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | G63 V64 L66 V278 L279 V280 L321 W337 W361 I364 | G63-V316 CarbonylContact C-O 3.44Å; G63-V316 WeakPolarHBondContact CA-O 3.33Å; V64-V316 PolarHBondContact N-O 2.8Å; V64-V316 PolarHBondContact O-N 3.29Å; L66-V316 HydrophobicContact CD1-CG2 4.49Å; V278-V316 HydrophobicContact CG1-CG1 3.8Å; L279-V316 CarbonylContact O-C 3.59Å; L279-V316 WeakPolarHBondContact O-CA 3.41Å; V280-V316 HydrophobicContact CG2-CG2 4.25Å; V316-L321 HydrophobicContact CG1-CD1 4.36Å; V316-L321 HydrophobicContact CG1-CD2 4.08Å; V316-L321 WeakPolarHBondContact O-CD1 3.34Å; V316-W337 HydrophobicContact CG2-CH2 3.63Å; V316-W337 HydrophobicContact CG2-CZ3 4.18Å; V316-W361 HydrophobicContact CG1-CZ3 4.15Å; V316-I364 HydrophobicContact CB-CG2 3.94Å; V316-I364 HydrophobicContact CG1-CG2 4.39Å; V316-I364 HydrophobicContact CG2-CD1 4.17Å; V316-I364 HydrophobicContact CG2-CG2 3.84Å |
| 317 | A | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 149.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L59 W274 L279 F315 | L59-A317 HydrophobicContact CB-CB 4.29Å; L59-A317 HydrophobicContact CD2-CB 4.28Å; W274-A317 HydrophobicContact CH2-CB 4.21Å; L279-A317 HydrophobicContact CD2-CB 4.48Å; L279-A317 PolarHBondContact N-O 3.23Å; L279-A317 PolarHBondContact O-N 3.19Å; F315-A317 HydrophobicContact CD2-CB 4.19Å; F315-A317 HydrophobicContact CE2-CB 4.17Å |
| 318 | G | 97.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 11% | 0.113 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 143.3 | 158.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L320 L321 | G318-L320 PolarHBondContact O-N 2.72Å; G318-L320 VanDerWaalsContact O-N 3.11Å; G318-L321 PolarHBondContact O-N 2.9Å |
| 319 | P | 97.6 | Very high | 98.4 | Very high | 68 Ų | 68 | 39.9 Ų | 39.9 | 44% | 0.442 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -8.5 | -173.3 | -25.2 | 41.1 | 0 | 0 | 0 | 114.9 | W274 L321 | W274-P319 WeakPolarHBondContact O-CD 3.37Å; P319-L321 VanDerWaalsContact C-N 3.32Å |
| 320 | L | 97.9 | Very high | 98.4 | Very high | 61 Ų | 61 | 43.2 Ų | 43.2 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.2 | -178.5 | -57.8 | 178 | 0 | 0 | 0 | 113.9 | P29 V278 G318 W361 | P29-L320 HydrophobicContact CB-CD1 3.45Å; P29-L320 VanDerWaalsContact CB-CD1 3.45Å; P29-L320 HydrophobicContact CG-CD1 4.36Å; V278-L320 HydrophobicContact CG2-CB 4.41Å; V278-L320 HydrophobicContact CG2-CD1 3.86Å; G318-L320 PolarHBondContact O-N 2.72Å; G318-L320 VanDerWaalsContact O-N 3.11Å; L320-W361 HydrophobicContact CB-CZ2 4.37Å |
| 321 | L | 98.5 | Very high | 98.3 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | trans | -74 | 133.8 | 173.5 | -67.9 | 162.9 | 0 | 0 | 0 | 109.9 | V64 V316 G318 P319 P324 W361 I364 | V64-L321 HydrophobicContact CG2-CD1 4.17Å; V64-L321 HydrophobicContact CG2-CD2 4.07Å; V316-L321 HydrophobicContact CG1-CD1 4.36Å; V316-L321 HydrophobicContact CG1-CD2 4.08Å; V316-L321 WeakPolarHBondContact O-CD1 3.34Å; G318-L321 PolarHBondContact O-N 2.9Å; P319-L321 VanDerWaalsContact C-N 3.32Å; L321-P324 HydrophobicContact CB-CB 4.43Å; L321-W361 HydrophobicContact CD2-CH2 3.82Å; L321-W361 HydrophobicContact CD2-CZ3 4.15Å; L321-W361 HydrophobicContact CG-CH2 4.39Å; L321-I364 HydrophobicContact CD2-CG2 3.98Å | ||
| 322 | E | 98.2 | Very high | 98.3 | Very high | 117 Ų | 117 | 42.7 Ų | 42.7 | 55% | 0.547 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -84.8 | -20.6 | 177.9 | -68.9 | 177.1 | -142.4 | 0 | 0 | 112.4 | P324 S365 K366 | E322-P324 VanDerWaalsContact C-CD 3.46Å; E322-S365 CarbonylContact C-O 3.56Å; E322-S365 WeakPolarHBondContact CB-O 3.39Å; E322-S365 PolarHBondContact N-O 3.2Å; E322-S365 PolarHBondContact N-OG 3.38Å; E322-K366 HydrophobicContact CB-CG 4.41Å; E322-K366 WeakPolarHBondContact OE1-CE 3.43Å; E322-K366 IonicContact OE1-NZ 2.83Å; E322-K366 PolarHBondContact OE1-NZ 2.96Å; E322-K366 WeakPolarHBondContact OE2-CE 3.34Å; E322-K366 IonicContact OE2-NZ 2.69Å; E322-K366 PolarHBondContact OE2-NZ 2.84Å |
| 323 | K | 97.5 | Very high | 98.4 | Very high | 104 Ų | 104 | 42.7 Ų | 42.7 | 45% | 0.452 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -129.1 | 60.5 | 175.7 | -64.2 | -171 | 177.9 | 167.3 | 0 | 112.7 | V64 T326 S365 K366 | V64-K323 WeakPolarHBondContact CG2-O 3.44Å; K323-T326 HydrophobicContact CB-CG2 4.18Å; K323-T326 WeakPolarHBondContact O-CG2 3.4Å; K323-T326 PolarHBondContact O-OG1 2.97Å; K323-S365 PolarHBondContact N-O 2.98Å; K323-K366 VanDerWaalsContact CD-O 3.28Å; K323-K366 WeakPolarHBondContact CD-O 3.37Å; K323-K366 WeakPolarHBondContact CE-O 3.4Å; K323-K366 PolarHBondContact NZ-O 2.76Å |
| 324 | P | 97.7 | Very high | 98.4 | Very high | 72 Ų | 72 | 42.7 Ų | 42.7 | 47% | 0.468 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 159.6 | 173.6 | 30.3 | -34.9 | 0 | 0 | 0 | 111.3 | Q62 G63 L321 E322 T326 | Q62-P324 WeakPolarHBondContact O-CB 3.42Å; G63-P324 CarbonylContact O-C 3.59Å; L321-P324 HydrophobicContact CB-CB 4.43Å; E322-P324 VanDerWaalsContact C-CD 3.46Å; P324-T326 VanDerWaalsContact C-N 3.33Å |
| 325 | G | 98 | Very high | 98.4 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 56% | 0.557 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 22.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A61 G63 | A61-G325 WeakPolarHBondContact O-CA 3.11Å; G63-G325 WeakPolarHBondContact O-CA 3.47Å; G63-G325 PolarHBondContact O-N 3.28Å |
| 326 | T | 98.4 | Very high | 98.4 | Very high | 58 Ų | 58 | 42.5 Ų | 42.5 | 36% | 0.356 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 167 | -177.5 | 65.1 | 0 | 0 | 0 | 0 | 113 | G63 V64 R65 K323 P324 | G63-T326 PolarHBondContact O-N 2.8Å; V64-T326 WeakPolarHBondContact CA-O 3.19Å; R65-T326 PolarHBondContact N-O 3.39Å; K323-T326 HydrophobicContact CB-CG2 4.18Å; K323-T326 WeakPolarHBondContact O-CG2 3.4Å; K323-T326 PolarHBondContact O-OG1 2.97Å; P324-T326 VanDerWaalsContact C-N 3.33Å |
| 327 | V | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 42.7 Ų | 42.7 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 118.8 | 176.5 | 175.7 | 0 | 0 | 0 | 0 | 107.8 | R65 E67 R329 | R65-V327 HydrophobicContact CB-CG2 4.34Å; E67-V327 HydrophobicContact CB-CG1 4.07Å; E67-V327 HydrophobicContact CG-CG1 3.28Å; V327-R329 HydrophobicContact CG1-CG 4.46Å |
| 328 | S | 98.4 | Very high | 98.4 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 8% | 0.077 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.1 | 173.5 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | R65 E67 E330 | R65-S328 PolarHBondContact O-N 3.44Å; E67-S328 PolarHBondContact N-O 3.18Å; S328-E330 PolarHBondContact OG-N 2.89Å |
| 329 | R | 97.8 | Very high | 98.4 | Very high | 171 Ų | 171 | 42.7 Ų | 42.7 | 65% | 0.645 | 23% | 0.231 | S | C | * | . | trans | -107.3 | 10.8 | 170.9 | -62.9 | -177.4 | -179.4 | -82.7 | -4 | 112.4 | E67 N68 V327 | E67-R329 HydrophobicContact CB-CG 4.35Å; N68-R329 WeakPolarHBondContact CB-O 3.33Å; N68-R329 PolarHBondContact ND2-O 3.31Å; V327-R329 HydrophobicContact CG1-CG 4.46Å | ||
| 330 | E | 98.3 | Very high | 98.5 | Very high | 71 Ų | 71 | 39.5 Ų | 39.5 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -73.5 | 141.1 | 175.5 | -66.3 | -63.5 | 151.3 | 0 | 0 | 110.6 | S328 I332 T363 A369 S370 | S328-E330 PolarHBondContact OG-N 2.89Å; E330-I332 PolarHBondContact O-N 3.49Å; E330-T363 HydrophobicContact CB-CG2 3.28Å; E330-T363 HydrophobicContact CG-CG2 3.68Å; E330-A369 WeakPolarHBondContact OE2-CA 3.44Å; E330-S370 PolarHBondContact OE2-N 2.75Å |
| 331 | L | 98.7 | Very high | 98.5 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | trans | -68.1 | 117.3 | -175.7 | 178.7 | 59 | 0 | 0 | 0 | 111.2 | N68 Y70 S370 R372 R430 | N68-L331 WeakPolarHBondContact O-CA 3.49Å; Y70-L331 HydrophobicContact CD2-CD1 3.64Å; Y70-L331 HydrophobicContact CE2-CD1 3.63Å; L331-S370 WeakPolarHBondContact O-CB 3.26Å; L331-S370 PolarHBondContact O-OG 2.94Å; L331-R372 HydrophobicContact CD2-CG 3.73Å; L331-R372 HydrophobicContact CG-CB 4.45Å; L331-R372 HydrophobicContact CG-CG 3.88Å; L331-R430 VanDerWaalsContact CD2-NH1 3.32Å | ||
| 332 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 146.4 | 178.6 | -60.6 | 166 | 0 | 0 | 0 | 109.2 | L66 N68 Y69 Y70 E330 D336 V360 T363 I364 | L66-I332 HydrophobicContact CD2-CD1 4.03Å; N68-I332 PolarHBondContact O-N 3.3Å; Y69-I332 CarbonylContact C-O 3.59Å; Y69-I332 WeakPolarHBondContact CA-O 3.45Å; Y69-I332 HydrophobicContact CD2-CB 4.08Å; Y69-I332 HydrophobicContact CD2-CG2 3.76Å; Y69-I332 HydrophobicContact CE2-CG2 4.21Å; Y70-I332 PolarHBondContact N-O 2.67Å; E330-I332 PolarHBondContact O-N 3.49Å; I332-D336 HydrophobicContact CG2-CB 4.37Å; I332-V360 HydrophobicContact CG1-CB 4.46Å; I332-V360 HydrophobicContact CG1-CG1 4.49Å; I332-V360 HydrophobicContact CG1-CG2 4.44Å; I332-V360 HydrophobicContact CG2-CG2 4.09Å; I332-T363 HydrophobicContact CD1-CG2 4.42Å; I332-I364 HydrophobicContact CD1-CD1 4.16Å; I332-I364 HydrophobicContact CD1-CG1 3.68Å |
| 333 | H | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 155.4 | 176.4 | -174.9 | -111.7 | 0 | 0 | 0 | 111.6 | Y70 Q72 Q81 Y87 S335 D336 L375 | Y70-H333 CarbonylContact O-C 3.57Å; Y70-H333 VanDerWaalsContact O-CA 3.29Å; Y70-H333 WeakPolarHBondContact O-CA 3.34Å; Y70-H333 PolarHBondContact O-CD2 3.06Å; Q72-H333 PolarHBondContact NE2-NE2 3.15Å; Q72-H333 VanDerWaalsContact NE2-NE2 3.12Å; Q81-H333 PolarHBondContact OE1-CE1 3.29Å; Y87-H333 AromaticContact CE1-ND1 3.97Å; H333-S335 PolarHBondContact ND1-N 2.59Å; H333-S335 PolarHBondContact ND1-OG 2.87Å; H333-S335 PolarHBondContact O-N 2.77Å; H333-S335 VanDerWaalsContact O-N 3.09Å; H333-D336 PolarHBondContact N-OD2 2.95Å; H333-D336 WeakPolarHBondContact O-CB 3.49Å; H333-D336 PolarHBondContact O-N 2.84Å; H333-L375 HydrophobicContact CB-CD1 3.93Å; H333-L375 HydrophobicContact CB-CD2 4.38Å; H333-L375 VanDerWaalsContact CD2-CD1 3.45Å; H333-L375 WeakPolarHBondContact CD2-CD1 3.13Å; H333-L375 VanDerWaalsContact CG-CD1 3.44Å |
| 334 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -57.5 | -27.2 | -179.6 | -156.7 | 174 | 0 | 0 | 0 | 113.5 | Y70 V71 Q81 L82 D336 W337 | Y70-I334 PolarHBondContact O-N 2.57Å; V71-I334 HydrophobicContact CB-CB 4.47Å; V71-I334 HydrophobicContact CB-CD1 4.44Å; V71-I334 HydrophobicContact CG1-CB 4.07Å; V71-I334 HydrophobicContact CG1-CD1 4.02Å; V71-I334 HydrophobicContact CG1-CG1 4.38Å; Q81-I334 HydrophobicContact CB-CG2 3.73Å; L82-I334 HydrophobicContact CB-CD1 3.98Å; L82-I334 HydrophobicContact CB-CG1 3.98Å; L82-I334 HydrophobicContact CD1-CG1 4.23Å; I334-D336 PolarHBondContact O-N 3.47Å; I334-W337 PolarHBondContact O-N 3.37Å |
| 335 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -69 | -18.1 | 174.6 | 62 | 0 | 0 | 0 | 0 | 113.7 | G85 H333 W337 P339 G357 R372 | G85-S335 WeakPolarHBondContact CA-O 3.4Å; H333-S335 PolarHBondContact ND1-N 2.59Å; H333-S335 PolarHBondContact ND1-OG 2.87Å; H333-S335 PolarHBondContact O-N 2.77Å; H333-S335 VanDerWaalsContact O-N 3.09Å; S335-W337 PolarHBondContact O-N 3.01Å; S335-P339 WeakPolarHBondContact O-CD 3.42Å; S335-G357 WeakPolarHBondContact O-CA 3.26Å; S335-R372 PolarHBondContact OG-NH2 2.76Å |
| 336 | D | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -71.3 | -19.6 | 177.1 | -62.6 | -32.8 | 0 | 0 | 0 | 112.2 | I332 H333 I334 L338 P339 T340 G357 F358 V360 R372 | I332-D336 HydrophobicContact CG2-CB 4.37Å; H333-D336 PolarHBondContact N-OD2 2.95Å; H333-D336 WeakPolarHBondContact O-CB 3.49Å; H333-D336 PolarHBondContact O-N 2.84Å; I334-D336 PolarHBondContact O-N 3.47Å; D336-L338 PolarHBondContact O-N 3.35Å; D336-P339 WeakPolarHBondContact O-CD 3.3Å; D336-P339 WeakPolarHBondContact O-CG 3.39Å; D336-T340 WeakPolarHBondContact O-CB 3.27Å; D336-T340 PolarHBondContact O-N 3.45Å; D336-T340 VanDerWaalsContact O-N 3.09Å; D336-T340 PolarHBondContact O-OG1 3.33Å; D336-G357 VanDerWaalsContact OD1-CA 3.28Å; D336-G357 WeakPolarHBondContact OD1-CA 3.38Å; D336-F358 WeakPolarHBondContact CA-O 3.22Å; D336-F358 VanDerWaalsContact CB-O 3.31Å; D336-F358 WeakPolarHBondContact CB-O 3.43Å; D336-F358 VanDerWaalsContact O-O 3.13Å; D336-F358 PolarHBondContact OD1-N 2.88Å; D336-V360 HydrophobicContact CB-CG1 3.99Å; D336-V360 HydrophobicContact CB-CG2 3.95Å; D336-R372 IonicContact OD1-CZ 3.84Å; D336-R372 IonicContact OD1-NE 3.89Å; D336-R372 PolarHBondContact OD1-NE 3.29Å; D336-R372 IonicContact OD1-NH2 3.02Å; D336-R372 PolarHBondContact OD1-NH2 3.19Å; D336-R372 IonicContact OD2-CZ 2.77Å; D336-R372 IonicContact OD2-NE 2.78Å; D336-R372 PolarHBondContact OD2-NE 3.33Å; D336-R372 IonicContact OD2-NH2 3.74Å |
| 337 | W | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.011 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | -177 | -68.2 | 125.2 | 0 | 0 | 0 | 112.8 | F33 L66 Y69 L82 V280 V316 I334 S335 T340 L341 I364 | F33-W337 HydrophobicContact CE2-CB 4.17Å; F33-W337 AromaticContact CE2-CD1 3.62Å; F33-W337 AromaticContact CE2-CD2 3.81Å; F33-W337 HydrophobicContact CE2-CD2 3.81Å; F33-W337 AromaticContact CE2-CE2 3.98Å; F33-W337 HydrophobicContact CE2-CE3 4.49Å; F33-W337 AromaticContact CE2-CG 3.62Å; F33-W337 HydrophobicContact CE2-CG 3.62Å; F33-W337 AromaticContact CE2-NE1 3.84Å; F33-W337 AromaticContact CZ-CD1 3.79Å; F33-W337 HydrophobicContact CZ-CG 4.25Å; F33-W337 AromaticContact CZ-NE1 3.84Å; L66-W337 HydrophobicContact CD1-CH2 3.99Å; L66-W337 HydrophobicContact CD1-CZ2 3.81Å; Y69-W337 HydrophobicContact CE2-CZ2 4.26Å; Y69-W337 AromaticContact CE2-NE1 3.62Å; Y69-W337 AromaticContact CZ-NE1 3.61Å; Y69-W337 PolarHBondContact OH-NE1 2.79Å; L82-W337 HydrophobicContact CD1-CB 3.7Å; L82-W337 HydrophobicContact CD1-CG 4.07Å; V280-W337 HydrophobicContact CG1-CD2 4.39Å; V280-W337 HydrophobicContact CG1-CE3 4.41Å; V280-W337 HydrophobicContact CG1-CH2 3.63Å; V280-W337 HydrophobicContact CG1-CZ2 3.57Å; V280-W337 HydrophobicContact CG1-CZ3 4.06Å; V280-W337 HydrophobicContact CG2-CE3 4.36Å; V280-W337 HydrophobicContact CG2-CH2 4.21Å; V280-W337 HydrophobicContact CG2-CZ3 3.92Å; V316-W337 HydrophobicContact CG2-CH2 3.63Å; V316-W337 HydrophobicContact CG2-CZ3 4.18Å; I334-W337 PolarHBondContact O-N 3.37Å; S335-W337 PolarHBondContact O-N 3.01Å; W337-T340 PolarHBondContact O-N 3.1Å; W337-L341 HydrophobicContact CB-CD1 4.33Å; W337-L341 VanDerWaalsContact O-CB 3.29Å; W337-L341 WeakPolarHBondContact O-CB 3.45Å; W337-L341 WeakPolarHBondContact O-CG 2.98Å; W337-L341 PolarHBondContact O-N 2.86Å; W337-I364 HydrophobicContact CH2-CD1 3.69Å; W337-I364 HydrophobicContact CZ3-CD1 3.75Å |
| 338 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.9 | -60.3 | 178.7 | -177.6 | 160.5 | 0 | 0 | 0 | 112.4 | M83 T84 L113 L116 D336 T340 L341 V342 T349 L355 | M83-L338 WeakPolarHBondContact O-CD1 3.39Å; T84-L338 WeakPolarHBondContact O-CD1 3.38Å; L113-L338 HydrophobicContact CB-CD1 4.23Å; L113-L338 HydrophobicContact CB-CG 4.23Å; L113-L338 HydrophobicContact CD1-CG 4.32Å; L116-L338 HydrophobicContact CD1-CD1 4.01Å; L116-L338 HydrophobicContact CD1-CD2 3.68Å; L116-L338 HydrophobicContact CD1-CG 4.02Å; D336-L338 PolarHBondContact O-N 3.35Å; L338-T340 VanDerWaalsContact C-N 3.25Å; L338-T340 PolarHBondContact O-N 3.11Å; L338-L341 PolarHBondContact O-N 3.27Å; L338-V342 HydrophobicContact CD2-CG2 4.32Å; L338-V342 WeakPolarHBondContact O-CB 3.44Å; L338-V342 VanDerWaalsContact O-CG2 3.25Å; L338-V342 WeakPolarHBondContact O-CG2 3.43Å; L338-V342 PolarHBondContact O-N 3.45Å; L338-T349 HydrophobicContact CD2-CG2 3.98Å; L338-L355 HydrophobicContact CD2-CD1 3.84Å; L338-L355 HydrophobicContact CD2-CD2 4.18Å |
| 339 | P | 98.9 | Very high | 98.4 | Very high | 14 Ų | 14 | 27.5 Ų | 27.5 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.4 | -28.2 | 179.8 | 23.7 | -32.9 | 0 | 0 | 0 | 113.1 | S335 D336 G343 T349 L355 | S335-P339 WeakPolarHBondContact O-CD 3.42Å; D336-P339 WeakPolarHBondContact O-CD 3.3Å; D336-P339 WeakPolarHBondContact O-CG 3.39Å; P339-G343 PolarHBondContact O-N 3.17Å; P339-T349 HydrophobicContact CB-CG2 4.41Å; P339-L355 HydrophobicContact CB-CD1 4.13Å; P339-L355 HydrophobicContact CG-CD1 4.39Å |
| 340 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68 | -50.7 | 176.6 | -60.8 | 0 | 0 | 0 | 0 | 112 | D336 W337 L338 G343 L344 F358 N359 V360 W361 | D336-T340 WeakPolarHBondContact O-CB 3.27Å; D336-T340 PolarHBondContact O-N 3.45Å; D336-T340 VanDerWaalsContact O-N 3.09Å; D336-T340 PolarHBondContact O-OG1 3.33Å; W337-T340 PolarHBondContact O-N 3.1Å; L338-T340 VanDerWaalsContact C-N 3.25Å; L338-T340 PolarHBondContact O-N 3.11Å; T340-G343 PolarHBondContact O-N 2.84Å; T340-L344 PolarHBondContact O-N 2.95Å; T340-F358 PolarHBondContact OG1-O 2.88Å; T340-N359 WeakPolarHBondContact OG1-CA 3.28Å; T340-V360 HydrophobicContact CG2-CG2 4.32Å; T340-V360 WeakPolarHBondContact OG1-CG2 3.45Å; T340-V360 PolarHBondContact OG1-N 3.22Å; T340-W361 HydrophobicContact CG2-CB 4Å |
| 341 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.3 | -38.1 | -176.4 | -63.9 | 179.4 | 0 | 0 | 0 | 111.7 | I31 F33 L113 W337 L338 G343 L344 A345 | I31-L341 HydrophobicContact CD1-CB 4.24Å; I31-L341 HydrophobicContact CD1-CD2 4.35Å; I31-L341 HydrophobicContact CG2-CD1 4.11Å; I31-L341 HydrophobicContact CG2-CD2 3.79Å; I31-L341 HydrophobicContact CG2-CG 4.42Å; F33-L341 HydrophobicContact CD2-CD1 4.09Å; L113-L341 HydrophobicContact CD1-CB 4.12Å; L113-L341 HydrophobicContact CD2-CD1 3.89Å; W337-L341 HydrophobicContact CB-CD1 4.33Å; W337-L341 VanDerWaalsContact O-CB 3.29Å; W337-L341 WeakPolarHBondContact O-CB 3.45Å; W337-L341 WeakPolarHBondContact O-CG 2.98Å; W337-L341 PolarHBondContact O-N 2.86Å; L338-L341 PolarHBondContact O-N 3.27Å; L341-G343 VanDerWaalsContact C-N 3.31Å; L341-L344 HydrophobicContact CD2-CD1 4.19Å; L341-L344 PolarHBondContact O-N 3.29Å; L341-A345 WeakPolarHBondContact O-CB 3.24Å; L341-A345 PolarHBondContact O-N 3.29Å |
| 342 | V | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | 171.8 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | L113 L116 L117 L338 A345 G346 G347 T349 | L113-V342 HydrophobicContact CD1-CG2 3.87Å; L116-V342 HydrophobicContact CB-CG2 3.66Å; L116-V342 HydrophobicContact CD1-CG2 3.87Å; L116-V342 HydrophobicContact CG-CG2 4.41Å; L117-V342 HydrophobicContact CD2-CG2 4.47Å; L338-V342 HydrophobicContact CD2-CG2 4.32Å; L338-V342 WeakPolarHBondContact O-CB 3.44Å; L338-V342 VanDerWaalsContact O-CG2 3.25Å; L338-V342 WeakPolarHBondContact O-CG2 3.43Å; L338-V342 PolarHBondContact O-N 3.45Å; V342-A345 WeakPolarHBondContact O-CB 3.45Å; V342-A345 PolarHBondContact O-N 3.21Å; V342-G346 PolarHBondContact O-N 3.49Å; V342-G347 PolarHBondContact O-N 2.78Å; V342-T349 HydrophobicContact CB-CG2 4.29Å; V342-T349 HydrophobicContact CG1-CG2 4.03Å |
| 343 | G | 98.2 | Very high | 98.2 | Very high | 36 Ų | 36 | 24.7 Ų | 24.7 | 37% | 0.371 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P339 T340 L341 A345 G346 | P339-G343 PolarHBondContact O-N 3.17Å; T340-G343 PolarHBondContact O-N 2.84Å; L341-G343 VanDerWaalsContact C-N 3.31Å; G343-A345 VanDerWaalsContact C-N 3.3Å; G343-A345 PolarHBondContact O-N 2.8Å; G343-G346 PolarHBondContact O-N 2.86Å; G343-G346 VanDerWaalsContact O-N 3.13Å |
| 344 | L | 98.1 | Very high | 98.2 | Very high | 31 Ų | 31 | 29.8 Ų | 29.8 | 16% | 0.162 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -37.1 | 173.1 | -82.7 | 171.8 | 0 | 0 | 0 | 112.8 | P29 V278 T340 L341 G346 W361 | P29-L344 WeakPolarHBondContact CD-O 2.99Å; P29-L344 HydrophobicContact CG-CB 4.22Å; P29-L344 HydrophobicContact CG-CD2 4.5Å; V278-L344 HydrophobicContact CG1-CD1 4.39Å; V278-L344 HydrophobicContact CG2-CD1 4.2Å; T340-L344 PolarHBondContact O-N 2.95Å; L341-L344 HydrophobicContact CD2-CD1 4.19Å; L341-L344 PolarHBondContact O-N 3.29Å; L344-G346 PolarHBondContact O-N 2.81Å; L344-W361 HydrophobicContact CD1-CD2 4.03Å; L344-W361 HydrophobicContact CD1-CE3 3.75Å; L344-W361 HydrophobicContact CD1-CZ3 4.03Å; L344-W361 HydrophobicContact CD2-CD2 3.68Å; L344-W361 HydrophobicContact CD2-CE3 4.25Å; L344-W361 HydrophobicContact CD2-CG 3.85Å; L344-W361 HydrophobicContact CD2-CZ2 4.1Å; L344-W361 HydrophobicContact CG-CD2 4.12Å; L344-W361 HydrophobicContact CG-CE3 4.35Å; L344-W361 HydrophobicContact CG-CG 4.21Å |
| 345 | A | 97.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -8.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L117 A120 Y122 L341 V342 G343 G347 | L117-A345 HydrophobicContact CD2-CB 3.5Å; A120-A345 HydrophobicContact CB-CB 4.08Å; Y122-A345 HydrophobicContact CD2-CB 4.19Å; Y122-A345 HydrophobicContact CE2-CB 3.31Å; Y122-A345 WeakPolarHBondContact OH-CA 3.29Å; L341-A345 WeakPolarHBondContact O-CB 3.24Å; L341-A345 PolarHBondContact O-N 3.29Å; V342-A345 WeakPolarHBondContact O-CB 3.45Å; V342-A345 PolarHBondContact O-N 3.21Å; G343-A345 VanDerWaalsContact C-N 3.3Å; G343-A345 PolarHBondContact O-N 2.8Å; A345-G347 PolarHBondContact O-N 2.03Å |
| 346 | G | 96.8 | Very high | 98.2 | Very high | 69 Ų | 69 | 33.2 Ų | 33.2 | 71% | 0.711 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 17.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113 | V342 G343 L344 | V342-G346 PolarHBondContact O-N 3.49Å; G343-G346 PolarHBondContact O-N 2.86Å; G343-G346 VanDerWaalsContact O-N 3.13Å; L344-G346 PolarHBondContact O-N 2.81Å |
| 347 | G | 96.6 | Very high | 98.2 | Very high | 29 Ų | 29 | 33.7 Ų | 33.7 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | trans | -82.7 | -178.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V342 A345 | V342-G347 PolarHBondContact O-N 2.78Å; A345-G347 PolarHBondContact O-N 2.03Å | ||
| 348 | S | 97.4 | Very high | 98.1 | Very high | 82 Ų | 82 | 37.6 Ų | 37.6 | 57% | 0.573 | 27% | 0.269 | S | S | * | . | trans | -116.6 | 140.5 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | G350 | S348-G350 PolarHBondContact O-N 3.17Å; S348-G350 PolarHBondContact OG-N 2.8Å | ||
| 349 | T | 98.1 | Very high | 98.1 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | trans | -79.6 | 10.1 | 167 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | L338 P339 V342 G351 T352 L355 | L338-T349 HydrophobicContact CD2-CG2 3.98Å; P339-T349 HydrophobicContact CB-CG2 4.41Å; V342-T349 HydrophobicContact CB-CG2 4.29Å; V342-T349 HydrophobicContact CG1-CG2 4.03Å; T349-G351 PolarHBondContact O-N 2.81Å; T349-T352 WeakPolarHBondContact O-CG2 3.35Å; T349-T352 PolarHBondContact O-N 3.13Å; T349-T352 PolarHBondContact O-OG1 2.68Å; T349-T352 VanDerWaalsContact O-OG1 3.08Å; T349-L355 HydrophobicContact CG2-CD1 3.81Å | ||
| 350 | G | 96.7 | Very high | 98.1 | Very high | 40 Ų | 40 | 40.6 Ų | 40.6 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 134.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K111 S348 | K111-G350 PolarHBondContact NZ-O 3.26Å; K111-G350 VanDerWaalsContact NZ-O 3.1Å; S348-G350 PolarHBondContact O-N 3.17Å; S348-G350 PolarHBondContact OG-N 2.8Å |
| 351 | G | 96.5 | Very high | 98.1 | Very high | 63 Ų | 63 | 42.5 Ų | 42.5 | 65% | 0.649 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89 | -3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | T349 | T349-G351 PolarHBondContact O-N 2.81Š|
| 352 | T | 98.5 | Very high | 98.1 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -76.7 | 158.4 | 162.4 | 70.5 | 0 | 0 | 0 | 0 | 110.1 | K111 L116 T349 L355 | K111-T352 HydrophobicContact CB-CG2 4.27Å; L116-T352 HydrophobicContact CD1-CG2 3.72Å; L116-T352 HydrophobicContact CD2-CG2 4.23Å; T349-T352 WeakPolarHBondContact O-CG2 3.35Å; T349-T352 PolarHBondContact O-N 3.13Å; T349-T352 PolarHBondContact O-OG1 2.68Å; T349-T352 VanDerWaalsContact O-OG1 3.08Å; T352-L355 HydrophobicContact CG2-CD2 4.29Å |
| 353 | K | 98.4 | Very high | 98.1 | Very high | 58 Ų | 58 | 48.8 Ų | 48.8 | 25% | 0.252 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 170.7 | 157.4 | -68 | 177.8 | -169.5 | 167.8 | 0 | 110.1 | R86 D109 E110 L355 | R86-K353 VanDerWaalsContact CZ-CB 3.48Å; D109-K353 VanDerWaalsContact CG-CE 3.42Å; D109-K353 IonicContact OD1-NZ 3.36Å; D109-K353 PolarHBondContact OD1-NZ 3.34Å; D109-K353 WeakPolarHBondContact OD2-CE 3.41Å; D109-K353 IonicContact OD2-NZ 2.77Å; D109-K353 PolarHBondContact OD2-NZ 2.85Å; E110-K353 WeakPolarHBondContact OE1-CD 3.43Å; E110-K353 WeakPolarHBondContact OE1-CE 3.45Å; E110-K353 IonicContact OE1-NZ 3.73Å; E110-K353 PolarHBondContact OE1-NZ 3.39Å; K353-L355 PolarHBondContact O-N 3.35Å |
| 354 | P | 98.5 | Very high | 98.1 | Very high | 106 Ų | 106 | 47.2 Ų | 47.2 | 69% | 0.688 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 125.7 | 178.5 | -27.5 | 36.3 | 0 | 0 | 0 | 111.7 | R86 | R86-P354 WeakPolarHBondContact CD-O 3.45Å; R86-P354 WeakPolarHBondContact CG-O 3.44Å; R86-P354 PolarHBondContact NE-O 3.18Å |
| 355 | L | 98.8 | Very high | 98.2 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 24% | 0.236 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 145.8 | -179.4 | -62.2 | -178.1 | 0 | 0 | 0 | 111 | T84 R86 L338 P339 T349 T352 K353 | T84-L355 WeakPolarHBondContact O-CD2 3.39Å; R86-L355 HydrophobicContact CG-CD2 4.17Å; L338-L355 HydrophobicContact CD2-CD1 3.84Å; L338-L355 HydrophobicContact CD2-CD2 4.18Å; P339-L355 HydrophobicContact CB-CD1 4.13Å; P339-L355 HydrophobicContact CG-CD1 4.39Å; T349-L355 HydrophobicContact CG2-CD1 3.81Å; T352-L355 HydrophobicContact CG2-CD2 4.29Å; K353-L355 PolarHBondContact O-N 3.35Å |
| 356 | D | 98.8 | Very high | 98.2 | Very high | 28 Ų | 28 | 48 Ų | 48 | 15% | 0.15 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -100.6 | -6.6 | 171.8 | -61.3 | -60.1 | 0 | 0 | 0 | 112.2 | G85 R86 Y87 H90 R372 | G85-D356 PolarHBondContact O-N 3.39Å; R86-D356 VanDerWaalsContact CA-OD2 3.3Å; R86-D356 WeakPolarHBondContact CA-OD2 3.39Å; Y87-D356 HydrophobicContact CD1-CB 4.15Å; Y87-D356 HydrophobicContact CD2-CB 3.52Å; Y87-D356 HydrophobicContact CE1-CB 4.18Å; Y87-D356 HydrophobicContact CE2-CB 3.57Å; Y87-D356 HydrophobicContact CG-CB 3.82Å; Y87-D356 PolarHBondContact N-OD2 3.32Å; H90-D356 IonicContact CE1-OD1 3.56Å; H90-D356 PolarHBondContact CE1-OD1 3.18Å; H90-D356 IonicContact CE1-OD2 3.24Å; H90-D356 IonicContact CG-OD2 3.78Å; H90-D356 IonicContact ND1-OD1 2.8Å; H90-D356 PolarHBondContact ND1-OD1 3.17Å; H90-D356 IonicContact ND1-OD2 3.19Å; H90-D356 PolarHBondContact ND1-OD2 3.13Å; D356-R372 PolarHBondContact O-NH2 2.8Å |
| 357 | G | 98.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | trans | -92.5 | 160.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G85 S335 D336 | G85-G357 PolarHBondContact O-N 3.3Å; S335-G357 WeakPolarHBondContact O-CA 3.26Å; D336-G357 VanDerWaalsContact OD1-CA 3.28Å; D336-G357 WeakPolarHBondContact OD1-CA 3.38Å | ||
| 358 | F | 98.8 | Very high | 98.3 | Very high | 84 Ų | 84 | 50.9 Ų | 50.9 | 37% | 0.368 | 30% | 0.301 | S | S | . | . | trans | -121.7 | 153.1 | 176.3 | -56.2 | -87.6 | 0 | 0 | 0 | 111.2 | D336 T340 V360 P371 R372 | D336-F358 WeakPolarHBondContact CA-O 3.22Å; D336-F358 VanDerWaalsContact CB-O 3.31Å; D336-F358 WeakPolarHBondContact CB-O 3.43Å; D336-F358 VanDerWaalsContact O-O 3.13Å; D336-F358 PolarHBondContact OD1-N 2.88Å; T340-F358 PolarHBondContact OG1-O 2.88Å; F358-V360 HydrophobicContact CB-CG1 4.41Å; F358-V360 PolarHBondContact O-N 2.82Å; F358-P371 HydrophobicContact CB-CB 4.07Å; F358-P371 HydrophobicContact CB-CG 3.53Å; F358-P371 HydrophobicContact CD1-CB 4.19Å; F358-P371 HydrophobicContact CG-CB 4.21Å; F358-P371 HydrophobicContact CG-CG 4.13Å; F358-R372 HydrophobicContact CD2-CB 3.91Å; F358-R372 HydrophobicContact CD2-CG 4.34Å; F358-R372 HydrophobicContact CE2-CB 4.17Å; F358-R372 HydrophobicContact CE2-CG 4.27Å | ||
| 359 | N | 98.8 | Very high | 98.4 | Very high | 78 Ų | 78 | 50.6 Ų | 50.6 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | trans | -73.9 | 109.4 | 167.9 | -177.7 | -20.2 | 0 | 0 | 0 | 109.8 | T340 W361 | T340-N359 WeakPolarHBondContact OG1-CA 3.28Å; N359-W361 WeakPolarHBondContact OD1-CB 3.45Å; N359-W361 PolarHBondContact OD1-N 3.44Å | ||
| 360 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -104.8 | 13.6 | -176.8 | -62.7 | 0 | 0 | 0 | 0 | 113 | I332 D336 T340 F358 K362 T363 I364 P371 | I332-V360 HydrophobicContact CG1-CB 4.46Å; I332-V360 HydrophobicContact CG1-CG1 4.49Å; I332-V360 HydrophobicContact CG1-CG2 4.44Å; I332-V360 HydrophobicContact CG2-CG2 4.09Å; D336-V360 HydrophobicContact CB-CG1 3.99Å; D336-V360 HydrophobicContact CB-CG2 3.95Å; T340-V360 HydrophobicContact CG2-CG2 4.32Å; T340-V360 WeakPolarHBondContact OG1-CG2 3.45Å; T340-V360 PolarHBondContact OG1-N 3.22Å; F358-V360 HydrophobicContact CB-CG1 4.41Å; F358-V360 PolarHBondContact O-N 2.82Å; V360-K362 VanDerWaalsContact C-N 3.3Å; V360-K362 PolarHBondContact O-N 2.74Å; V360-T363 WeakPolarHBondContact O-CA 3.44Å; V360-T363 VanDerWaalsContact O-CB 3.27Å; V360-T363 WeakPolarHBondContact O-CB 3.27Å; V360-T363 PolarHBondContact O-N 2.73Å; V360-I364 HydrophobicContact CG2-CD1 3.75Å; V360-I364 HydrophobicContact CG2-CG1 4.32Å; V360-I364 WeakPolarHBondContact O-CG1 3.15Å; V360-I364 PolarHBondContact O-N 2.77Å; V360-P371 HydrophobicContact CG1-CG 4.01Å | ||
| 361 | W | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 15% | 0.148 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.5 | -39.9 | -177.4 | -179 | -117.1 | 0 | 0 | 0 | 112.8 | V278 V316 L320 L321 T340 L344 N359 T363 I364 S365 | V278-W361 HydrophobicContact CG1-CH2 4.08Å; V278-W361 HydrophobicContact CG1-CZ3 3.84Å; V278-W361 HydrophobicContact CG2-CH2 3.79Å; V278-W361 HydrophobicContact CG2-CZ2 4.44Å; V278-W361 HydrophobicContact CG2-CZ3 4.26Å; V316-W361 HydrophobicContact CG1-CZ3 4.15Å; L320-W361 HydrophobicContact CB-CZ2 4.37Å; L321-W361 HydrophobicContact CD2-CH2 3.82Å; L321-W361 HydrophobicContact CD2-CZ3 4.15Å; L321-W361 HydrophobicContact CG-CH2 4.39Å; T340-W361 HydrophobicContact CG2-CB 4Å; L344-W361 HydrophobicContact CD1-CD2 4.03Å; L344-W361 HydrophobicContact CD1-CE3 3.75Å; L344-W361 HydrophobicContact CD1-CZ3 4.03Å; L344-W361 HydrophobicContact CD2-CD2 3.68Å; L344-W361 HydrophobicContact CD2-CE3 4.25Å; L344-W361 HydrophobicContact CD2-CG 3.85Å; L344-W361 HydrophobicContact CD2-CZ2 4.1Å; L344-W361 HydrophobicContact CG-CD2 4.12Å; L344-W361 HydrophobicContact CG-CE3 4.35Å; L344-W361 HydrophobicContact CG-CG 4.21Å; N359-W361 WeakPolarHBondContact OD1-CB 3.45Å; N359-W361 PolarHBondContact OD1-N 3.44Å; W361-T363 VanDerWaalsContact C-N 3.33Å; W361-I364 PolarHBondContact O-N 2.94Å; W361-S365 WeakPolarHBondContact O-CB 3.49Å; W361-S365 PolarHBondContact O-N 3.39Å |
| 362 | K | 98.6 | Very high | 98.5 | Very high | 132 Ų | 132 | 46.3 Ų | 46.3 | 57% | 0.574 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -66.9 | -36.6 | 176.6 | -69.3 | -177.6 | -178.9 | 175.7 | 0 | 112 | V360 K366 G367 F368 | V360-K362 VanDerWaalsContact C-N 3.3Å; V360-K362 PolarHBondContact O-N 2.74Å; K362-K366 CarbonylContact O-C 3.5Å; K362-K366 WeakPolarHBondContact O-CA 3.36Å; K362-K366 VanDerWaalsContact O-CB 3.31Å; K362-K366 WeakPolarHBondContact O-CB 3.46Å; K362-K366 PolarHBondContact O-N 3.31Å; K362-G367 PolarHBondContact O-N 3.3Å; K362-F368 HydrophobicContact CB-CD2 3.99Å; K362-F368 HydrophobicContact CD-CD2 4.29Å; K362-F368 HydrophobicContact CD-CE2 4.48Å; K362-F368 PolarHBondContact O-N 3.44Å |
| 363 | T | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -50.5 | 173 | -57 | 0 | 0 | 0 | 0 | 110.5 | E330 I332 V360 W361 G367 F368 A369 P371 | E330-T363 HydrophobicContact CB-CG2 3.28Å; E330-T363 HydrophobicContact CG-CG2 3.68Å; I332-T363 HydrophobicContact CD1-CG2 4.42Å; V360-T363 WeakPolarHBondContact O-CA 3.44Å; V360-T363 VanDerWaalsContact O-CB 3.27Å; V360-T363 WeakPolarHBondContact O-CB 3.27Å; V360-T363 PolarHBondContact O-N 2.73Å; W361-T363 VanDerWaalsContact C-N 3.33Å; T363-G367 WeakPolarHBondContact O-CA 3.18Å; T363-G367 PolarHBondContact O-N 3.02Å; T363-F368 VanDerWaalsContact CA-O 3.3Å; T363-F368 WeakPolarHBondContact CA-O 3.32Å; T363-F368 WeakPolarHBondContact CG2-O 3.48Å; T363-F368 PolarHBondContact OG1-O 3Å; T363-A369 PolarHBondContact OG1-O 2.99Å; T363-P371 WeakPolarHBondContact OG1-CD 3.22Å |
| 364 | I | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.6 | -57.3 | -179.1 | -63.2 | 169.7 | 0 | 0 | 0 | 111.4 | V64 L66 V316 L321 I332 W337 V360 W361 | V64-I364 HydrophobicContact CB-CG2 4.25Å; V64-I364 HydrophobicContact CG1-CG2 4.34Å; L66-I364 HydrophobicContact CD2-CG1 4.27Å; V316-I364 HydrophobicContact CB-CG2 3.94Å; V316-I364 HydrophobicContact CG1-CG2 4.39Å; V316-I364 HydrophobicContact CG2-CD1 4.17Å; V316-I364 HydrophobicContact CG2-CG2 3.84Å; L321-I364 HydrophobicContact CD2-CG2 3.98Å; I332-I364 HydrophobicContact CD1-CD1 4.16Å; I332-I364 HydrophobicContact CD1-CG1 3.68Å; W337-I364 HydrophobicContact CH2-CD1 3.69Å; W337-I364 HydrophobicContact CZ3-CD1 3.75Å; V360-I364 HydrophobicContact CG2-CD1 3.75Å; V360-I364 HydrophobicContact CG2-CG1 4.32Å; V360-I364 WeakPolarHBondContact O-CG1 3.15Å; V360-I364 PolarHBondContact O-N 2.77Å; W361-I364 PolarHBondContact O-N 2.94Å |
| 365 | S | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.2 | -37.3 | -170 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | E322 K323 W361 | E322-S365 CarbonylContact C-O 3.56Å; E322-S365 WeakPolarHBondContact CB-O 3.39Å; E322-S365 PolarHBondContact N-O 3.2Å; E322-S365 PolarHBondContact N-OG 3.38Å; K323-S365 PolarHBondContact N-O 2.98Å; W361-S365 WeakPolarHBondContact O-CB 3.49Å; W361-S365 PolarHBondContact O-N 3.39Å |
| 366 | K | 98.4 | Very high | 98.4 | Very high | 55 Ų | 55 | 42.1 Ų | 42.1 | 24% | 0.239 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -109.9 | -6.6 | -174.3 | -48.7 | -175.7 | -178.3 | -106.5 | 0 | 113.9 | E322 K323 K362 F368 | E322-K366 HydrophobicContact CB-CG 4.41Å; E322-K366 WeakPolarHBondContact OE1-CE 3.43Å; E322-K366 IonicContact OE1-NZ 2.83Å; E322-K366 PolarHBondContact OE1-NZ 2.96Å; E322-K366 WeakPolarHBondContact OE2-CE 3.34Å; E322-K366 IonicContact OE2-NZ 2.69Å; E322-K366 PolarHBondContact OE2-NZ 2.84Å; K323-K366 VanDerWaalsContact CD-O 3.28Å; K323-K366 WeakPolarHBondContact CD-O 3.37Å; K323-K366 WeakPolarHBondContact CE-O 3.4Å; K323-K366 PolarHBondContact NZ-O 2.76Å; K362-K366 CarbonylContact O-C 3.5Å; K362-K366 WeakPolarHBondContact O-CA 3.36Å; K362-K366 VanDerWaalsContact O-CB 3.31Å; K362-K366 WeakPolarHBondContact O-CB 3.46Å; K362-K366 PolarHBondContact O-N 3.31Å; K366-F368 HydrophobicContact CB-CD1 3.97Å; K366-F368 HydrophobicContact CB-CE1 3.99Å; K366-F368 HydrophobicContact CB-CG 4.36Å; K366-F368 HydrophobicContact CB-CZ 4.39Å; K366-F368 HydrophobicContact CD-CE1 4.48Å; K366-F368 HydrophobicContact CD-CE2 4.16Å; K366-F368 HydrophobicContact CD-CZ 4.06Å |
| 367 | G | 97.9 | Very high | 98.4 | Very high | 45 Ų | 45 | 40.8 Ų | 40.8 | 46% | 0.464 | 22% | 0.22 | S | C | . | . | trans | 66 | 36.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | K362 T363 | K362-G367 PolarHBondContact O-N 3.3Å; T363-G367 WeakPolarHBondContact O-CA 3.18Å; T363-G367 PolarHBondContact O-N 3.02Å | ||
| 368 | F | 98.3 | Very high | 98.4 | Very high | 112 Ų | 112 | 40.7 Ų | 40.7 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -81.1 | 158.4 | 171.6 | -73 | 2.2 | 0 | 0 | 0 | 110.9 | K362 T363 K366 | K362-F368 HydrophobicContact CB-CD2 3.99Å; K362-F368 HydrophobicContact CD-CD2 4.29Å; K362-F368 HydrophobicContact CD-CE2 4.48Å; K362-F368 PolarHBondContact O-N 3.44Å; T363-F368 VanDerWaalsContact CA-O 3.3Å; T363-F368 WeakPolarHBondContact CA-O 3.32Å; T363-F368 WeakPolarHBondContact CG2-O 3.48Å; T363-F368 PolarHBondContact OG1-O 3Å; K366-F368 HydrophobicContact CB-CD1 3.97Å; K366-F368 HydrophobicContact CB-CE1 3.99Å; K366-F368 HydrophobicContact CB-CG 4.36Å; K366-F368 HydrophobicContact CB-CZ 4.39Å; K366-F368 HydrophobicContact CD-CE1 4.48Å; K366-F368 HydrophobicContact CD-CE2 4.16Å; K366-F368 HydrophobicContact CD-CZ 4.06Å |
| 369 | A | 98.2 | Very high | 98.4 | Very high | 76 Ų | 76 | 37 Ų | 37 | 63% | 0.628 | 20% | 0.201 | S | C | * | . | P | Polyproline II helix | trans | -53.8 | 140.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E330 T363 | E330-A369 WeakPolarHBondContact OE2-CA 3.44Å; T363-A369 PolarHBondContact OG1-O 2.99Å |
| 370 | S | 98.4 | Very high | 98.4 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 136.4 | 176.6 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | E330 L331 R372 Q373 | E330-S370 PolarHBondContact OE2-N 2.75Å; L331-S370 WeakPolarHBondContact O-CB 3.26Å; L331-S370 PolarHBondContact O-OG 2.94Å; S370-R372 PolarHBondContact O-N 2.79Å; S370-R372 WeakPolarHBondContact OG-CB 3.16Å; S370-R372 PolarHBondContact OG-N 2.81Å; S370-Q373 PolarHBondContact O-NE2 3.48Å; S370-Q373 VanDerWaalsContact O-NE2 3.13Å |
| 371 | P | 98.3 | Very high | 98.2 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -64.9 | -20.3 | 164.7 | 29.7 | -36.2 | 0 | 0 | 0 | 112.1 | F358 V360 T363 Q373 | F358-P371 HydrophobicContact CB-CB 4.07Å; F358-P371 HydrophobicContact CB-CG 3.53Å; F358-P371 HydrophobicContact CD1-CB 4.19Å; F358-P371 HydrophobicContact CG-CB 4.21Å; F358-P371 HydrophobicContact CG-CG 4.13Å; V360-P371 HydrophobicContact CG1-CG 4.01Å; T363-P371 WeakPolarHBondContact OG1-CD 3.22Å; P371-Q373 PolarHBondContact O-N 2.89Å |
| 372 | R | 98.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | trans | -81.7 | 116.9 | 179.3 | -177.3 | 177 | -77.7 | -68 | -1.5 | 110.5 | Y87 L331 S335 D336 D356 F358 S370 E374 | Y87-R372 PolarHBondContact OH-NH1 3.12Å; L331-R372 HydrophobicContact CD2-CG 3.73Å; L331-R372 HydrophobicContact CG-CB 4.45Å; L331-R372 HydrophobicContact CG-CG 3.88Å; S335-R372 PolarHBondContact OG-NH2 2.76Å; D336-R372 IonicContact OD1-CZ 3.84Å; D336-R372 IonicContact OD1-NE 3.89Å; D336-R372 PolarHBondContact OD1-NE 3.29Å; D336-R372 IonicContact OD1-NH2 3.02Å; D336-R372 PolarHBondContact OD1-NH2 3.19Å; D336-R372 IonicContact OD2-CZ 2.77Å; D336-R372 IonicContact OD2-NE 2.78Å; D336-R372 PolarHBondContact OD2-NE 3.33Å; D336-R372 IonicContact OD2-NH2 3.74Å; D356-R372 PolarHBondContact O-NH2 2.8Å; F358-R372 HydrophobicContact CD2-CB 3.91Å; F358-R372 HydrophobicContact CD2-CG 4.34Å; F358-R372 HydrophobicContact CE2-CB 4.17Å; F358-R372 HydrophobicContact CE2-CG 4.27Å; S370-R372 PolarHBondContact O-N 2.79Å; S370-R372 WeakPolarHBondContact OG-CB 3.16Å; S370-R372 PolarHBondContact OG-N 2.81Å; R372-E374 VanDerWaalsContact CG-O 3.28Å; R372-E374 WeakPolarHBondContact CG-O 3.36Å; R372-E374 PolarHBondContact NH1-O 3.12Å | ||
| 373 | Q | 95.8 | Very high | 97.8 | Very high | 121 Ų | 121 | 35.6 Ų | 35.6 | 57% | 0.565 | 20% | 0.203 | S | C | * | . | trans | -107.5 | -21.5 | 176.1 | -61.3 | -61 | -38.4 | 0 | 0 | 112.7 | S370 P371 S431 S432 | S370-Q373 PolarHBondContact O-NE2 3.48Å; S370-Q373 VanDerWaalsContact O-NE2 3.13Å; P371-Q373 PolarHBondContact O-N 2.89Å; Q373-S431 WeakPolarHBondContact O-CA 3.45Å; Q373-S432 PolarHBondContact O-N 2.85Å | ||
| 374 | E | 98.4 | Very high | 97.1 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.5 | -178.9 | -172.2 | 179.1 | 93.4 | 0 | 0 | 110.3 | R372 I429 R430 R497 H501 | R372-E374 VanDerWaalsContact CG-O 3.28Å; R372-E374 WeakPolarHBondContact CG-O 3.36Å; R372-E374 PolarHBondContact NH1-O 3.12Å; E374-I429 HydrophobicContact CG-CD1 4.07Å; E374-I429 HydrophobicContact CG-CG1 4.18Å; E374-R430 CarbonylContact C-O 3.51Å; E374-R430 VanDerWaalsContact CA-O 3.31Å; E374-R430 WeakPolarHBondContact CA-O 3.21Å; E374-R497 IonicContact OE1-CZ 3.79Å; E374-R497 IonicContact OE1-NE 3.73Å; E374-R497 PolarHBondContact OE1-NE 2.87Å; E374-R497 IonicContact OE1-NH2 2.95Å; E374-R497 PolarHBondContact OE1-NH2 3.35Å; E374-R497 WeakPolarHBondContact OE2-CG 3.48Å; E374-R497 IonicContact OE2-CZ 3.97Å; E374-R497 IonicContact OE2-NE 2.71Å; E374-R497 PolarHBondContact OE2-NE 2.96Å; E374-R497 IonicContact OE2-NH2 2.72Å; E374-H501 IonicContact OE1-CD2 3.77Å; E374-H501 IonicContact OE1-CE1 3.18Å; E374-H501 IonicContact OE1-NE2 3.75Å; E374-H501 PolarHBondContact OE1-NE2 3.19Å |
| 375 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 118 | 174.6 | 168.1 | 60.6 | 0 | 0 | 0 | 108.8 | Y70 Y87 H333 I429 R430 | Y70-L375 HydrophobicContact CD2-CD2 3.91Å; Y70-L375 HydrophobicContact CG-CD2 3.74Å; Y87-L375 HydrophobicContact CE1-CD1 3.89Å; Y87-L375 WeakPolarHBondContact OH-CD1 3.28Å; H333-L375 HydrophobicContact CB-CD1 3.93Å; H333-L375 HydrophobicContact CB-CD2 4.38Å; H333-L375 VanDerWaalsContact CD2-CD1 3.45Å; H333-L375 WeakPolarHBondContact CD2-CD1 3.13Å; H333-L375 VanDerWaalsContact CG-CD1 3.44Å; L375-I429 WeakPolarHBondContact O-CA 3.41Å; L375-I429 WeakPolarHBondContact O-CG1 3.18Å; L375-R430 HydrophobicContact CB-CB 4.35Å; L375-R430 PolarHBondContact N-O 2.89Å; L375-R430 PolarHBondContact O-N 2.69Å |
| 376 | L | 98.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 123.9 | 160.8 | -179.5 | 69.3 | 0 | 0 | 0 | 108.7 | Y87 I89 I379 I429 L498 H501 | Y87-L376 HydrophobicContact CD2-CB 4.25Å; Y87-L376 HydrophobicContact CD2-CD2 4.42Å; Y87-L376 HydrophobicContact CE2-CB 3.99Å; I89-L376 HydrophobicContact CD1-CD2 3.53Å; I89-L376 HydrophobicContact CG1-CD2 3.94Å; I89-L376 HydrophobicContact CG2-CD2 4.07Å; L376-I379 HydrophobicContact CD1-CD1 4.11Å; L376-I379 HydrophobicContact CD1-CG1 3.9Å; L376-I379 HydrophobicContact CD2-CD1 4.31Å; L376-I379 HydrophobicContact CD2-CG1 4.32Å; L376-I429 HydrophobicContact CD1-CB 4.49Å; L376-L498 HydrophobicContact CD1-CD2 3.65Å; L376-H501 HydrophobicContact CD1-CB 4.36Å; L376-H501 HydrophobicContact CD2-CB 3.89Å |
| 377 | H | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -63.5 | 171.9 | -67.6 | -73.1 | 0 | 0 | 0 | 110.1 | Y70 Q72 L305 A428 | Y70-H377 AromaticContact CD1-CE1 3.63Å; Q72-H377 PolarHBondContact NE2-O 2.81Å; Q72-H377 PolarHBondContact OE1-O 2.77Å; L305-H377 HydrophobicContact CD2-CB 3.88Å; H377-A428 HydrophobicContact CB-CB 4.02Å; H377-A428 WeakPolarHBondContact CB-O 3.17Å; H377-A428 PolarHBondContact N-O 2.94Å |
| 378 | N | 98.7 | Very high | 91.6 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 165.9 | 174.6 | -162.8 | 19.5 | 0 | 0 | 0 | 111.2 | Q94 L305 A427 A428 | Q94-N378 PolarHBondContact O-ND2 3.21Å; L305-N378 HydrophobicContact CD2-CB 4.29Å; N378-A427 WeakPolarHBondContact O-CA 3.21Å; N378-A427 WeakPolarHBondContact O-CB 3.02Å; N378-A428 PolarHBondContact O-N 2.96Å |
| 379 | I | 98.6 | Very high | 88.9 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 107.2 | 166.5 | -55.7 | 177.1 | 0 | 0 | 0 | 107.4 | I89 Q94 L376 F421 I425 A427 L498 H501 Q502 | I89-I379 HydrophobicContact CG2-CB 4.28Å; Q94-I379 WeakPolarHBondContact CB-O 3.29Å; L376-I379 HydrophobicContact CD1-CD1 4.11Å; L376-I379 HydrophobicContact CD1-CG1 3.9Å; L376-I379 HydrophobicContact CD2-CD1 4.31Å; L376-I379 HydrophobicContact CD2-CG1 4.32Å; I379-F421 HydrophobicContact CD1-CE2 4.24Å; I379-F421 HydrophobicContact CG2-CE2 4.17Å; I379-F421 HydrophobicContact CG2-CZ 4.21Å; I379-I425 HydrophobicContact CG2-CG2 3.8Å; I379-A427 HydrophobicContact CB-CB 4.46Å; I379-A427 HydrophobicContact CG1-CB 4.13Å; I379-L498 HydrophobicContact CD1-CD2 4.33Å; I379-L498 HydrophobicContact CG1-CD2 4.3Å; I379-H501 HydrophobicContact CD1-CB 4Å; I379-Q502 HydrophobicContact CD1-CB 4.05Å |
| 380 | D | 98.2 | Very high | 86.1 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 94.6 | -177.9 | -175.2 | 6.9 | 0 | 0 | 0 | 111.6 | H95 L382 Y383 H426 | H95-D380 IonicContact CE1-OD2 3.1Å; H95-D380 IonicContact CG-OD1 2.68Å; H95-D380 IonicContact CG-OD2 3.72Å; H95-D380 IonicContact ND1-OD1 3.32Å; H95-D380 PolarHBondContact ND1-OD1 3.42Å; H95-D380 IonicContact ND1-OD2 2.59Å; H95-D380 PolarHBondContact ND1-OD2 3.13Å; D380-L382 PolarHBondContact O-N 3.09Å; D380-L382 WeakPolarHBondContact OD1-CA 3.4Å; D380-L382 PolarHBondContact OD1-N 3.03Å; D380-Y383 PolarHBondContact O-N 2.88Å; D380-Y383 PolarHBondContact OD1-N 3.11Å; D380-Y383 WeakPolarHBondContact OD2-CA 3.44Å; D380-Y383 PolarHBondContact OD2-N 3.49Å; D380-H426 PolarHBondContact N-O 2.98Å |
| 381 | P | 95.9 | Very high | 83 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 49% | 0.494 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.2 | 173.8 | 26.8 | -37.6 | 0 | 0 | 0 | 114.5 | I425 I508 | P381-I425 HydrophobicContact CB-CD1 4.36Å; P381-I425 HydrophobicContact CB-CG1 4.31Å; P381-I425 HydrophobicContact CB-CG2 4.46Å; P381-I508 HydrophobicContact CG-CD1 3.73Å |
| 382 | L | 94.9 | Very high | 80 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 3 | -179.2 | -58.6 | -175.9 | 0 | 0 | 0 | 112.9 | H95 D380 S384 I508 | H95-L382 VanDerWaalsContact CE1-C 3.42Å; H95-L382 PolarHBondContact CE1-O 3.03Å; H95-L382 WeakPolarHBondContact ND1-CB 3.18Å; D380-L382 PolarHBondContact O-N 3.09Å; D380-L382 WeakPolarHBondContact OD1-CA 3.4Å; D380-L382 PolarHBondContact OD1-N 3.03Å; L382-S384 PolarHBondContact O-N 2.76Å; L382-I508 HydrophobicContact CB-CD1 4.49Å; L382-I508 HydrophobicContact CD1-CD1 3.94Å; L382-I508 HydrophobicContact CD1-CG2 4.15Å; L382-I508 HydrophobicContact CG-CD1 3.9Å |
| 383 | Y | 92.5 | Very high | 77.3 | Confident | 43 Ų | 43 | 56 Ų | 56 | 17% | 0.169 | 30% | 0.299 | C | S | . | . | trans | -52.1 | 133.9 | -170.9 | -177.4 | -98.7 | 0 | 0 | 0 | 113.5 | L303 D380 H426 Y440 G442 | L303-Y383 WeakPolarHBondContact O-CE2 3.09Å; L303-Y383 PolarHBondContact O-OH 2.94Å; D380-Y383 PolarHBondContact O-N 2.88Å; D380-Y383 PolarHBondContact OD1-N 3.11Å; D380-Y383 WeakPolarHBondContact OD2-CA 3.44Å; D380-Y383 PolarHBondContact OD2-N 3.49Å; Y383-H426 VanDerWaalsContact CB-CB 3.4Å; Y383-H426 HydrophobicContact CD1-CB 4.03Å; Y383-H426 AromaticContact CD1-CE1 3.97Å; Y383-H426 AromaticContact CD1-CG 3.8Å; Y383-H426 AromaticContact CD1-ND1 3.42Å; Y383-H426 WeakPolarHBondContact CD1-ND1 3.42Å; Y383-H426 AromaticContact CD2-CD2 3.68Å; Y383-H426 AromaticContact CD2-CE1 3.48Å; Y383-H426 VanDerWaalsContact CD2-CE1 3.48Å; Y383-H426 WeakPolarHBondContact CD2-CE1 3.3Å; Y383-H426 AromaticContact CD2-CG 3.77Å; Y383-H426 AromaticContact CD2-ND1 3.66Å; Y383-H426 AromaticContact CD2-NE2 3.5Å; Y383-H426 AromaticContact CE1-CE1 3.86Å; Y383-H426 AromaticContact CE1-ND1 3.61Å; Y383-H426 AromaticContact CE2-CE1 3.35Å; Y383-H426 WeakPolarHBondContact CE2-CE1 3.41Å; Y383-H426 AromaticContact CE2-ND1 3.83Å; Y383-H426 AromaticContact CE2-NE2 3.68Å; Y383-H426 HydrophobicContact CG-CB 3.75Å; Y383-H426 AromaticContact CG-CD2 3.79Å; Y383-H426 AromaticContact CG-CE1 3.78Å; Y383-H426 AromaticContact CG-CG 3.42Å; Y383-H426 VanDerWaalsContact CG-CG 3.42Å; Y383-H426 AromaticContact CG-ND1 3.43Å; Y383-H426 AromaticContact CZ-CE1 3.55Å; Y383-H426 AromaticContact CZ-ND1 3.81Å; Y383-Y440 HydrophobicContact CD1-CD1 4Å; Y383-Y440 AromaticContact CE1-CD1 3.56Å; Y383-Y440 HydrophobicContact CE1-CD1 3.56Å; Y383-Y440 AromaticContact CE1-CE1 3.8Å; Y383-Y440 HydrophobicContact CE1-CE1 3.8Å; Y383-G442 VanDerWaalsContact OH-CA 3.28Å; Y383-G442 WeakPolarHBondContact OH-CA 3.12Å | ||
| 384 | S | 85.8 | Confident | 74.4 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 33% | 0.329 | 31% | 0.309 | S | S | . | . | trans | -140.8 | 142 | 170.2 | 54.3 | 0 | 0 | 0 | 0 | 109.7 | L382 L386 | L382-S384 PolarHBondContact O-N 2.76Å; S384-L386 PolarHBondContact O-N 2.88Å; S384-L386 VanDerWaalsContact O-N 3.11Å | ||
| 385 | D | 80.5 | Confident | 71.6 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 21% | 0.214 | 34% | 0.34 | C | S | . | . | trans | -78.8 | 94.9 | 177.3 | -155.1 | -26.2 | 0 | 0 | 0 | 109.6 | A387 Y440 C443 | D385-A387 PolarHBondContact O-N 3.38Å; D385-A387 VanDerWaalsContact OD1-CB 3.28Å; D385-A387 WeakPolarHBondContact OD1-CB 3.44Å; D385-A387 PolarHBondContact OD1-N 3.36Å; D385-Y440 HydrophobicContact CB-CE1 3.92Å; D385-Y440 PolarHBondContact OD2-OH 3.09Å; D385-C443 PolarHBondContact OD2-N 3.18Å | ||
| 386 | L | 76.1 | Confident | 68.9 | Low | 87 Ų | 87 | 65 Ų | 65 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | trans | -87.3 | 10.1 | 179.4 | -62.6 | -173.7 | 0 | 0 | 0 | 113.6 | Q96 W99 S384 | Q96-L386 HydrophobicContact CG-CD1 4.25Å; W99-L386 HydrophobicContact CZ2-CD1 4.36Å; S384-L386 PolarHBondContact O-N 2.88Å; S384-L386 VanDerWaalsContact O-N 3.11Å | ||
| 387 | A | 65.7 | Low | 66.1 | Low | 16 Ų | 16 | 66.2 Ų | 66.2 | 13% | 0.132 | 37% | 0.367 | C | S | . | . | trans | -56.1 | 129.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R301 L303 D385 S389 | R301-A387 VanDerWaalsContact CZ-CB 3.5Å; L303-A387 HydrophobicContact CD1-CB 3.77Å; D385-A387 PolarHBondContact O-N 3.38Å; D385-A387 VanDerWaalsContact OD1-CB 3.28Å; D385-A387 WeakPolarHBondContact OD1-CB 3.44Å; D385-A387 PolarHBondContact OD1-N 3.36Å; A387-S389 PolarHBondContact O-N 2.94Å; A387-S389 VanDerWaalsContact O-N 3.12Å | ||
| 388 | P | 54.6 | Low | 63.5 | Low | 46 Ų | 46 | 73.9 Ų | 73.9 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | trans | -59.5 | 121.4 | -178 | 5.1 | -9.9 | 0 | 0 | 0 | 111.2 | Y291 E390 | Y291-P388 HydrophobicContact CE2-CG 4.08Å; Y291-P388 WeakPolarHBondContact OH-CG 3.48Å; P388-E390 HydrophobicContact CB-CG 4.19Å; P388-E390 PolarHBondContact O-N 2.81Å; P388-E390 VanDerWaalsContact O-N 3.11Å | ||
| 389 | S | 42.8 | Very low | 61.6 | Low | 89 Ų | 89 | 75.6 Ų | 75.6 | 62% | 0.622 | 42% | 0.416 | S | S | * | . | trans | -77.7 | 71.9 | 156.4 | 64 | 0 | 0 | 0 | 0 | 107.3 | A387 K391 | A387-S389 PolarHBondContact O-N 2.94Å; A387-S389 VanDerWaalsContact O-N 3.12Å; S389-K391 PolarHBondContact O-N 3.03Å | ||
| 390 | E | 37.9 | Very low | 59.8 | Low | 78 Ų | 78 | 76.5 Ų | 76.5 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | trans | -62.2 | 113.8 | 177.9 | -92.9 | 179.8 | -153.1 | 0 | 0 | 109.1 | Y291 P388 N392 V393 | Y291-E390 WeakPolarHBondContact CE1-OE1 3.29Å; Y291-E390 PolarHBondContact OH-OE1 2.8Å; Y291-E390 VanDerWaalsContact OH-OE1 3.04Å; P388-E390 HydrophobicContact CB-CG 4.19Å; P388-E390 PolarHBondContact O-N 2.81Å; P388-E390 VanDerWaalsContact O-N 3.11Å; E390-N392 PolarHBondContact O-N 3.5Å; E390-V393 HydrophobicContact CB-CB 4.28Å; E390-V393 HydrophobicContact CB-CG2 3.79Å; E390-V393 PolarHBondContact O-N 3.31Å; E390-V393 WeakPolarHBondContact OE2-CG2 3.35Å | ||
| 391 | K | 35.1 | Very low | 57.8 | Low | 205 Ų | 205 | 79.6 Ų | 79.6 | 89% | 0.891 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -11 | 176.9 | -71.5 | -178.1 | 176.6 | 177.7 | 0 | 113.9 | S389 | S389-K391 PolarHBondContact O-N 3.03Š|
| 392 | N | 33.4 | Very low | 55.6 | Low | 151 Ų | 151 | 81.5 Ų | 81.5 | 81% | 0.807 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 0.8 | -179.1 | -71.5 | -17.5 | 0 | 0 | 0 | 114.3 | E390 S394 | E390-N392 PolarHBondContact O-N 3.5Å; N392-S394 PolarHBondContact O-N 2.81Å |
| 393 | V | 42 | Very low | 53.1 | Low | 30 Ų | 30 | 80.5 Ų | 80.5 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | trans | -97 | 81.1 | 168.9 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | E390 L395 R396 | E390-V393 HydrophobicContact CB-CB 4.28Å; E390-V393 HydrophobicContact CB-CG2 3.79Å; E390-V393 PolarHBondContact O-N 3.31Å; E390-V393 WeakPolarHBondContact OE2-CG2 3.35Å; V393-L395 PolarHBondContact O-N 3.08Å; V393-R396 HydrophobicContact CG1-CB 4.48Å | ||
| 394 | S | 35.5 | Very low | 50.6 | Low | 111 Ų | 111 | 84 Ų | 84 | 78% | 0.776 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 13.6 | -164.3 | 51.6 | 0 | 0 | 0 | 0 | 117.4 | N392 | N392-S394 PolarHBondContact O-N 2.81Š|
| 395 | L | 39.8 | Very low | 48.3 | Very low | 151 Ų | 151 | 91.9 Ų | 91.9 | 79% | 0.791 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.1 | -3.2 | -179.5 | -74.5 | 172.9 | 0 | 0 | 0 | 117.1 | V393 I399 | V393-L395 PolarHBondContact O-N 3.08Å; L395-I399 WeakPolarHBondContact O-CD1 3.42Å |
| 396 | R | 42.2 | Very low | 46 | Very low | 78 Ų | 78 | 92.2 Ų | 92.2 | 29% | 0.294 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -13.4 | -172.1 | -68.1 | -172.2 | -174.4 | -158.9 | -0.6 | 117.2 | V393 | V393-R396 HydrophobicContact CG1-CB 4.48Š|
| 397 | G | 39.9 | Very low | 43.9 | Very low | 27 Ų | 27 | 95.8 Ų | 95.8 | 28% | 0.278 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -75.9 | -29 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I399 | G397-I399 VanDerWaalsContact C-N 3.35Å; G397-I399 PolarHBondContact O-N 3.47Å |
| 398 | D | 43.8 | Very low | 42.4 | Very low | 161 Ų | 161 | 99.5 Ų | 99.5 | 86% | 0.861 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -90.4 | 9.5 | -170.8 | -64 | -29.3 | 0 | 0 | 0 | 114.4 | ||
| 399 | I | 58.3 | Low | 41.4 | Very low | 44 Ų | 44 | 103.4 Ų | 103.4 | 23% | 0.226 | 58% | 0.583 | C | S | . | * | G | 310 helix | trans | -95.1 | -24 | -169.6 | -51.2 | 179.4 | 0 | 0 | 0 | 112.4 | L395 G397 V445 V459 | L395-I399 WeakPolarHBondContact O-CD1 3.42Å; G397-I399 VanDerWaalsContact C-N 3.35Å; G397-I399 PolarHBondContact O-N 3.47Å; I399-V445 HydrophobicContact CB-CG2 4.29Å; I399-V445 HydrophobicContact CG2-CG1 4.12Å; I399-V445 HydrophobicContact CG2-CG2 3.6Å; I399-V459 HydrophobicContact CD1-CG2 3.98Å; I399-V459 HydrophobicContact CG1-CG2 4.45Å; I399-V459 HydrophobicContact CG2-CB 4.04Å; I399-V459 HydrophobicContact CG2-CG1 3.35Å; I399-V459 HydrophobicContact CG2-CG2 3.52Å |
| 400 | C | 61.4 | Low | 41.1 | Very low | 25 Ų | 25 | 104.9 Ų | 104.9 | 17% | 0.169 | 59% | 0.593 | C | S | . | * | S | Bend | trans | -78.8 | 135.5 | -179.1 | -53.6 | 0 | 0 | 0 | 0 | 109.8 | T402 C443 | C400-T402 PolarHBondContact O-N 2.94Å; C400-C443 HydrophobicContact CB-CB 3.65Å; C400-C443 WeakPolarHBondContact CB-SG 3.39Å; C400-C443 WeakPolarHBondContact SG-CB 3.21Å; C400-C443 CovalentContact SG-SG 2.02Å; C400-C443 PolarHBondContact SG-SG 2.74Å |
| 401 | H | 55.9 | Low | 41 | Very low | 70 Ų | 70 | 105.4 Ų | 105.4 | 32% | 0.324 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 129.5 | 170.5 | -83.3 | -79.9 | 0 | 0 | 0 | 109 | Y440 E444 L462 | H401-Y440 PolarHBondContact O-OH 3.44Å; H401-E444 IonicContact CD2-OE1 2.96Å; H401-E444 PolarHBondContact CD2-OE1 3.1Å; H401-E444 IonicContact CG-OE1 3.62Å; H401-E444 IonicContact NE2-OE1 3.96Å; H401-L462 VanDerWaalsContact NE2-CB 3.33Å; H401-L462 WeakPolarHBondContact NE2-CB 3.18Å; H401-L462 PolarHBondContact NE2-O 2.92Å |
| 402 | T | 49.1 | Very low | 41.2 | Very low | 116 Ų | 116 | 99.7 Ų | 99.7 | 71% | 0.712 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 145.8 | 166.1 | 45.8 | 0 | 0 | 0 | 0 | 107.9 | C400 V404 | C400-T402 PolarHBondContact O-N 2.94Å; T402-V404 PolarHBondContact O-N 2.79Å |
| 403 | P | 44.1 | Very low | 41.5 | Very low | 76 Ų | 76 | 98 Ų | 98 | 49% | 0.494 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -49.7 | 116.2 | 177.1 | -23.9 | 31.3 | 0 | 0 | 0 | 108.4 | K405 Y440 | P403-K405 PolarHBondContact O-N 2.99Å; P403-Y440 HydrophobicContact CG-CD1 4.49Å |
| 404 | V | 38.3 | Very low | 42.1 | Very low | 115 Ų | 115 | 101 Ų | 101 | 70% | 0.697 | 60% | 0.603 | S | S | * | * | trans | -61.2 | 107.8 | 174 | 179.7 | 0 | 0 | 0 | 0 | 104.7 | T402 G406 | T402-V404 PolarHBondContact O-N 2.79Å; V404-G406 PolarHBondContact O-N 3.38Å | ||
| 405 | K | 37.3 | Very low | 43.2 | Very low | 213 Ų | 213 | 102.5 Ų | 102.5 | 93% | 0.926 | 59% | 0.592 | S | S | * | * | trans | -66.4 | 64.5 | 157.6 | -77.6 | -173 | 177.8 | -179.6 | 0 | 106.8 | P403 N407 | P403-K405 PolarHBondContact O-N 2.99Å; K405-N407 PolarHBondContact O-N 3.27Å | ||
| 406 | G | 32.9 | Very low | 44.1 | Very low | 48 Ų | 48 | 98 Ų | 98 | 50% | 0.495 | 57% | 0.565 | S | S | . | * | trans | -78.7 | 109.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | V404 A408 | V404-G406 PolarHBondContact O-N 3.38Å; G406-A408 PolarHBondContact O-N 3.04Å | ||
| 407 | N | 31.5 | Very low | 44.6 | Very low | 161 Ų | 161 | 97.8 Ų | 97.8 | 86% | 0.861 | 58% | 0.579 | S | S | * | * | trans | -41.4 | 116.9 | 143.3 | -85.2 | -19.8 | 0 | 0 | 0 | 106 | K405 D409 | K405-N407 PolarHBondContact O-N 3.27Å; N407-D409 PolarHBondContact O-N 3.39Å | ||
| 408 | A | 34.9 | Very low | 45.5 | Very low | 94 Ų | 94 | 105.6 Ų | 105.6 | 78% | 0.777 | 61% | 0.606 | S | S | * | * | trans | -47.6 | 109.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | G406 S410 | G406-A408 PolarHBondContact O-N 3.04Å; A408-S410 PolarHBondContact O-N 3.16Å | ||
| 409 | D | 32.8 | Very low | 46.4 | Very low | 129 Ų | 129 | 100.5 Ų | 100.5 | 69% | 0.69 | 58% | 0.576 | S | S | * | * | trans | -67.2 | 95.6 | 173 | -167.4 | -8.9 | 0 | 0 | 0 | 105.2 | N407 S411 | N407-D409 PolarHBondContact O-N 3.39Å; D409-S411 PolarHBondContact O-N 3.35Å; D409-S411 WeakPolarHBondContact OD1-CB 3.38Å; D409-S411 PolarHBondContact OD1-OG 2.62Å; D409-S411 PolarHBondContact OD2-OG 2.77Å | ||
| 410 | S | 37.4 | Very low | 47.2 | Very low | 120 Ų | 120 | 101.5 Ų | 101.5 | 84% | 0.839 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 15.2 | -177.9 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | A408 | A408-S410 PolarHBondContact O-N 3.16Š|
| 411 | S | 35.8 | Very low | 48.7 | Very low | 89 Ų | 89 | 100.5 Ų | 100.5 | 62% | 0.622 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -9.6 | -171.3 | 64.2 | 0 | 0 | 0 | 0 | 114.7 | D409 | D409-S411 PolarHBondContact O-N 3.35Å; D409-S411 WeakPolarHBondContact OD1-CB 3.38Å; D409-S411 PolarHBondContact OD1-OG 2.62Å; D409-S411 PolarHBondContact OD2-OG 2.77Å |
| 412 | S | 38.2 | Very low | 50.4 | Low | 84 Ų | 84 | 101.4 Ų | 101.4 | 59% | 0.587 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -93.8 | 121.4 | 161.6 | -171 | 0 | 0 | 0 | 0 | 108.1 | D414 | S412-D414 VanDerWaalsContact C-N 3.35Å; S412-D414 PolarHBondContact O-N 3.22Å |
| 413 | P | 41.3 | Very low | 52.5 | Low | 117 Ų | 117 | 96.6 Ų | 96.6 | 76% | 0.76 | 57% | 0.568 | S | S | * | * | trans | -59.7 | 106.2 | 172.6 | 24.2 | -29.2 | 0 | 0 | 0 | 106.5 | R415 | P413-R415 PolarHBondContact O-N 2.7Š| ||
| 414 | D | 54.8 | Low | 54.7 | Low | 92 Ų | 92 | 97.3 Ų | 97.3 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | trans | -65.9 | 87.3 | -172.3 | -161 | 0.4 | 0 | 0 | 0 | 107.3 | S412 W416 A417 | S412-D414 VanDerWaalsContact C-N 3.35Å; S412-D414 PolarHBondContact O-N 3.22Å; D414-W416 PolarHBondContact O-N 3.36Å; D414-A417 HydrophobicContact CB-CB 3.74Å; D414-A417 WeakPolarHBondContact O-CB 3.46Å; D414-A417 PolarHBondContact O-N 2.79Å | ||
| 415 | R | 57.9 | Low | 57.4 | Low | 143 Ų | 143 | 92.6 Ų | 92.6 | 54% | 0.54 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -19.1 | -175 | 171.5 | -177.2 | 176.9 | 173.2 | 0.9 | 110.4 | P413 | P413-R415 PolarHBondContact O-N 2.7Š|
| 416 | W | 58 | Low | 60.3 | Low | 56 Ų | 56 | 82.8 Ų | 82.8 | 21% | 0.212 | 50% | 0.503 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -3.9 | -179.4 | -56.3 | -94.1 | 0 | 0 | 0 | 115 | D414 K418 F419 I468 | D414-W416 PolarHBondContact O-N 3.36Å; W416-K418 PolarHBondContact O-N 2.93Å; W416-F419 VanDerWaalsContact CA-CD2 3.45Å; W416-F419 HydrophobicContact CB-CD2 3.71Å; W416-F419 HydrophobicContact CB-CE2 4.01Å; W416-F419 AromaticContact CD1-CD2 3.82Å; W416-F419 AromaticContact CD1-CE2 3.46Å; W416-F419 VanDerWaalsContact CD1-CE2 3.46Å; W416-F419 HydrophobicContact CG-CD2 4.13Å; W416-F419 AromaticContact CG-CE2 3.99Å; W416-F419 HydrophobicContact CG-CE2 3.99Å; W416-F419 VanDerWaalsContact O-CD2 3.24Å; W416-F419 WeakPolarHBondContact O-CD2 3.23Å; W416-F419 PolarHBondContact O-N 2.72Å; W416-I468 HydrophobicContact CB-CD1 3.8Å; W416-I468 HydrophobicContact CD2-CD1 4.07Å; W416-I468 HydrophobicContact CG-CD1 3.63Å |
| 417 | A | 54 | Low | 63.4 | Low | 73 Ų | 73 | 80.5 Ų | 80.5 | 60% | 0.603 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -8.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D414 F419 | D414-A417 HydrophobicContact CB-CB 3.74Å; D414-A417 WeakPolarHBondContact O-CB 3.46Å; D414-A417 PolarHBondContact O-N 2.79Å; A417-F419 VanDerWaalsContact C-N 3.35Å |
| 418 | K | 58.7 | Low | 66.6 | Low | 191 Ų | 191 | 72.9 Ų | 72.9 | 83% | 0.83 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -14.1 | 172.5 | -65.8 | -177.3 | 179.3 | 179.9 | 0 | 113.5 | W416 | W416-K418 PolarHBondContact O-N 2.93Š|
| 419 | F | 62.9 | Low | 69.6 | Low | 55 Ų | 55 | 68.4 Ų | 68.4 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -87.5 | 144.9 | -178.5 | -60.1 | -69.8 | 0 | 0 | 0 | 111.1 | W416 A417 F421 D492 L495 | W416-F419 VanDerWaalsContact CA-CD2 3.45Å; W416-F419 HydrophobicContact CB-CD2 3.71Å; W416-F419 HydrophobicContact CB-CE2 4.01Å; W416-F419 AromaticContact CD1-CD2 3.82Å; W416-F419 AromaticContact CD1-CE2 3.46Å; W416-F419 VanDerWaalsContact CD1-CE2 3.46Å; W416-F419 HydrophobicContact CG-CD2 4.13Å; W416-F419 AromaticContact CG-CE2 3.99Å; W416-F419 HydrophobicContact CG-CE2 3.99Å; W416-F419 VanDerWaalsContact O-CD2 3.24Å; W416-F419 WeakPolarHBondContact O-CD2 3.23Å; W416-F419 PolarHBondContact O-N 2.72Å; A417-F419 VanDerWaalsContact C-N 3.35Å; F419-F421 PolarHBondContact O-N 2.8Å; F419-D492 HydrophobicContact CE1-CB 3.9Å; F419-D492 VanDerWaalsContact CE2-OD1 3.29Å; F419-D492 WeakPolarHBondContact CE2-OD1 3.21Å; F419-D492 HydrophobicContact CZ-CB 3.89Å; F419-D492 WeakPolarHBondContact CZ-OD1 3.47Å; F419-D492 WeakPolarHBondContact CZ-OD2 3.28Å; F419-L495 HydrophobicContact CB-CD1 4.44Å; F419-L495 HydrophobicContact CD2-CD1 3.86Å; F419-L495 HydrophobicContact CE2-CD1 4.49Å; F419-L495 HydrophobicContact CG-CD1 4.17Å |
| 420 | G | 75 | Confident | 72.7 | Confident | 65 Ų | 65 | 62.6 Ų | 62.6 | 67% | 0.67 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -65.1 | -27.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q499 | G420-Q499 PolarHBondContact O-OE1 2.95Š|
| 421 | F | 92.4 | Very high | 75.6 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -80.2 | 127.9 | -177 | -169.9 | -98 | 0 | 0 | 0 | 111 | I379 F419 V423 I425 A427 T438 L495 L498 Q499 Q502 | I379-F421 HydrophobicContact CD1-CE2 4.24Å; I379-F421 HydrophobicContact CG2-CE2 4.17Å; I379-F421 HydrophobicContact CG2-CZ 4.21Å; F419-F421 PolarHBondContact O-N 2.8Å; F421-V423 PolarHBondContact O-N 3.34Å; F421-V423 VanDerWaalsContact O-N 3.13Å; F421-I425 HydrophobicContact CE1-CB 4.39Å; F421-I425 HydrophobicContact CZ-CB 4.18Å; F421-I425 HydrophobicContact CZ-CG2 4.22Å; F421-A427 HydrophobicContact CE1-CB 4.28Å; F421-A427 HydrophobicContact CZ-CB 3.82Å; F421-T438 HydrophobicContact CE1-CG2 4.32Å; F421-L495 HydrophobicContact CD1-CD2 4.17Å; F421-L498 HydrophobicContact CD1-CB 4.25Å; F421-L498 HydrophobicContact CD1-CD1 4.18Å; F421-L498 HydrophobicContact CD2-CB 3.77Å; F421-L498 HydrophobicContact CE1-CB 4.34Å; F421-L498 HydrophobicContact CE1-CD1 3.9Å; F421-L498 HydrophobicContact CE2-CB 3.87Å; F421-L498 HydrophobicContact CG-CB 3.97Å; F421-L498 HydrophobicContact CZ-CB 4.16Å; F421-L498 HydrophobicContact CZ-CD1 4.2Å; F421-Q499 VanDerWaalsContact CA-OE1 3.29Å; F421-Q499 HydrophobicContact CB-CB 4.13Å; F421-Q502 HydrophobicContact CD2-CB 4.42Å; F421-Q502 HydrophobicContact CE2-CB 4.28Å |
| 422 | N | 91.8 | Very high | 78.3 | Confident | 89 Ų | 89 | 56.3 Ų | 56.3 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | trans | -74.3 | 103.8 | 175.8 | -179.9 | -4.2 | 0 | 0 | 0 | 110.5 | S424 I425 | N422-S424 PolarHBondContact O-N 3.27Å; N422-S424 VanDerWaalsContact O-N 3.11Å; N422-S424 WeakPolarHBondContact OD1-CB 3.35Å; N422-S424 PolarHBondContact OD1-N 2.97Å; N422-S424 PolarHBondContact OD1-OG 2.67Å; N422-I425 HydrophobicContact CB-CD1 3.87Å; N422-I425 HydrophobicContact CB-CG1 4.11Å; N422-I425 WeakPolarHBondContact O-CB 3.43Å; N422-I425 WeakPolarHBondContact O-CG1 3.27Å; N422-I425 PolarHBondContact O-N 3.11Å | ||
| 423 | V | 92.6 | Very high | 81 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -7.1 | -176.9 | -58.1 | 0 | 0 | 0 | 0 | 114.5 | F421 I425 T438 G439 I468 L495 | F421-V423 PolarHBondContact O-N 3.34Å; F421-V423 VanDerWaalsContact O-N 3.13Å; V423-I425 VanDerWaalsContact C-N 3.27Å; V423-T438 HydrophobicContact CB-CG2 4.49Å; V423-G439 WeakPolarHBondContact O-CA 3.38Å; V423-G439 PolarHBondContact O-N 3.03Å; V423-I468 HydrophobicContact CB-CD1 4.23Å; V423-I468 HydrophobicContact CB-CG1 3.93Å; V423-I468 HydrophobicContact CG1-CD1 3.84Å; V423-I468 HydrophobicContact CG1-CG1 3.97Å; V423-I468 HydrophobicContact CG2-CD1 4.45Å; V423-I468 HydrophobicContact CG2-CG1 4.37Å; V423-L495 HydrophobicContact CG1-CD1 4.34Å; V423-L495 HydrophobicContact CG1-CD2 3.75Å |
| 424 | S | 91.2 | Very high | 83.8 | Confident | 91 Ų | 91 | 51.5 Ų | 51.5 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -13.9 | 169.5 | -54.6 | 0 | 0 | 0 | 0 | 113.2 | N422 G439 | N422-S424 PolarHBondContact O-N 3.27Å; N422-S424 VanDerWaalsContact O-N 3.11Å; N422-S424 WeakPolarHBondContact OD1-CB 3.35Å; N422-S424 PolarHBondContact OD1-N 2.97Å; N422-S424 PolarHBondContact OD1-OG 2.67Å; S424-G439 WeakPolarHBondContact O-CA 3.34Å |
| 425 | I | 94.6 | Very high | 85.9 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -72.6 | 134.7 | 178.4 | -65.4 | 174.8 | 0 | 0 | 0 | 110.1 | I379 P381 F421 N422 V423 A427 T438 G439 | I379-I425 HydrophobicContact CG2-CG2 3.8Å; P381-I425 HydrophobicContact CB-CD1 4.36Å; P381-I425 HydrophobicContact CB-CG1 4.31Å; P381-I425 HydrophobicContact CB-CG2 4.46Å; F421-I425 HydrophobicContact CE1-CB 4.39Å; F421-I425 HydrophobicContact CZ-CB 4.18Å; F421-I425 HydrophobicContact CZ-CG2 4.22Å; N422-I425 HydrophobicContact CB-CD1 3.87Å; N422-I425 HydrophobicContact CB-CG1 4.11Å; N422-I425 WeakPolarHBondContact O-CB 3.43Å; N422-I425 WeakPolarHBondContact O-CG1 3.27Å; N422-I425 PolarHBondContact O-N 3.11Å; V423-I425 VanDerWaalsContact C-N 3.27Å; I425-A427 PolarHBondContact O-N 2.9Å; I425-A427 VanDerWaalsContact O-N 3.09Å; I425-T438 CarbonylContact O-C 3.45Å; I425-T438 PolarHBondContact O-OG1 3.08Å; I425-G439 PolarHBondContact O-N 3.08Å |
| 426 | H | 96.7 | Very high | 87.8 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 107.6 | 168 | 169.2 | 98.2 | 0 | 0 | 0 | 109.4 | L305 D380 Y383 Y440 P441 | L305-H426 WeakPolarHBondContact CD1-NE2 3.48Å; L305-H426 VanDerWaalsContact CG-CE1 3.48Å; L305-H426 WeakPolarHBondContact CG-CE1 3.37Å; L305-H426 VanDerWaalsContact CG-NE2 3.32Å; L305-H426 WeakPolarHBondContact CG-NE2 3.42Å; D380-H426 PolarHBondContact N-O 2.98Å; Y383-H426 VanDerWaalsContact CB-CB 3.4Å; Y383-H426 HydrophobicContact CD1-CB 4.03Å; Y383-H426 AromaticContact CD1-CE1 3.97Å; Y383-H426 AromaticContact CD1-CG 3.8Å; Y383-H426 AromaticContact CD1-ND1 3.42Å; Y383-H426 WeakPolarHBondContact CD1-ND1 3.42Å; Y383-H426 AromaticContact CD2-CD2 3.68Å; Y383-H426 AromaticContact CD2-CE1 3.48Å; Y383-H426 VanDerWaalsContact CD2-CE1 3.48Å; Y383-H426 WeakPolarHBondContact CD2-CE1 3.3Å; Y383-H426 AromaticContact CD2-CG 3.77Å; Y383-H426 AromaticContact CD2-ND1 3.66Å; Y383-H426 AromaticContact CD2-NE2 3.5Å; Y383-H426 AromaticContact CE1-CE1 3.86Å; Y383-H426 AromaticContact CE1-ND1 3.61Å; Y383-H426 AromaticContact CE2-CE1 3.35Å; Y383-H426 WeakPolarHBondContact CE2-CE1 3.41Å; Y383-H426 AromaticContact CE2-ND1 3.83Å; Y383-H426 AromaticContact CE2-NE2 3.68Å; Y383-H426 HydrophobicContact CG-CB 3.75Å; Y383-H426 AromaticContact CG-CD2 3.79Å; Y383-H426 AromaticContact CG-CE1 3.78Å; Y383-H426 AromaticContact CG-CG 3.42Å; Y383-H426 VanDerWaalsContact CG-CG 3.42Å; Y383-H426 AromaticContact CG-ND1 3.43Å; Y383-H426 AromaticContact CZ-CE1 3.55Å; Y383-H426 AromaticContact CZ-ND1 3.81Å; H426-Y440 PolarHBondContact ND1-O 3.38Å; H426-P441 PolarHBondContact CE1-O 3.42Å |
| 427 | A | 98.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N378 I379 F421 I425 L437 T438 L498 | N378-A427 WeakPolarHBondContact O-CA 3.21Å; N378-A427 WeakPolarHBondContact O-CB 3.02Å; I379-A427 HydrophobicContact CB-CB 4.46Å; I379-A427 HydrophobicContact CG1-CB 4.13Å; F421-A427 HydrophobicContact CE1-CB 4.28Å; F421-A427 HydrophobicContact CZ-CB 3.82Å; I425-A427 PolarHBondContact O-N 2.9Å; I425-A427 VanDerWaalsContact O-N 3.09Å; A427-L437 WeakPolarHBondContact O-CA 3.43Å; A427-T438 WeakPolarHBondContact CB-OG1 3.17Å; A427-T438 PolarHBondContact N-O 3.29Å; A427-T438 PolarHBondContact O-N 3.13Å; A427-L498 HydrophobicContact CB-CD1 4.4Å; A427-L498 HydrophobicContact CB-CD2 4.1Å |
| 428 | A | 98.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 146.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L305 H377 N378 L436 L437 | L305-A428 HydrophobicContact CB-CB 3.93Å; L305-A428 HydrophobicContact CD1-CB 3.76Å; L305-A428 HydrophobicContact CG-CB 4.36Å; H377-A428 HydrophobicContact CB-CB 4.02Å; H377-A428 WeakPolarHBondContact CB-O 3.17Å; H377-A428 PolarHBondContact N-O 2.94Å; N378-A428 PolarHBondContact O-N 2.96Å; A428-L436 CarbonylContact C-O 3.59Å; A428-L436 WeakPolarHBondContact CA-O 3.24Å; A428-L436 WeakPolarHBondContact CB-O 3.42Å; A428-L437 HydrophobicContact CB-CD2 4.34Å; A428-L437 HydrophobicContact CB-CG 4.06Å |
| 429 | I | 98.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 143.7 | 176.4 | -170.6 | 169.4 | 0 | 0 | 0 | 109.3 | E374 L375 L376 K435 L436 L494 R497 L498 | E374-I429 HydrophobicContact CG-CD1 4.07Å; E374-I429 HydrophobicContact CG-CG1 4.18Å; L375-I429 WeakPolarHBondContact O-CA 3.41Å; L375-I429 WeakPolarHBondContact O-CG1 3.18Å; L376-I429 HydrophobicContact CD1-CB 4.49Å; I429-K435 WeakPolarHBondContact O-CA 3.19Å; I429-L436 HydrophobicContact CG2-CB 3.98Å; I429-L436 HydrophobicContact CG2-CD2 4.49Å; I429-L436 PolarHBondContact N-O 3.19Å; I429-L436 PolarHBondContact O-N 2.98Å; I429-L494 HydrophobicContact CG2-CB 4.05Å; I429-L494 HydrophobicContact CG2-CD2 4.05Å; I429-L494 HydrophobicContact CG2-CG 4.49Å; I429-R497 HydrophobicContact CD1-CB 3.59Å; I429-L498 HydrophobicContact CB-CD2 3.82Å; I429-L498 HydrophobicContact CB-CG 4.14Å; I429-L498 HydrophobicContact CG2-CD1 4.14Å; I429-L498 HydrophobicContact CG2-CD2 3.99Å; I429-L498 HydrophobicContact CG2-CG 3.75Å |
| 430 | R | 98.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.8 | 175.3 | -173.5 | -175.2 | -177.5 | -58.8 | -8.3 | 109.2 | N68 Y70 L331 E374 L375 S432 W434 | N68-R430 PolarHBondContact ND2-NH2 2.85Å; N68-R430 PolarHBondContact OD1-NH2 3.43Å; N68-R430 VanDerWaalsContact OD1-NH2 3.15Å; Y70-R430 PolarHBondContact OH-NE 3.4Å; Y70-R430 VanDerWaalsContact OH-NE 3.14Å; L331-R430 VanDerWaalsContact CD2-NH1 3.32Å; E374-R430 CarbonylContact C-O 3.51Å; E374-R430 VanDerWaalsContact CA-O 3.31Å; E374-R430 WeakPolarHBondContact CA-O 3.21Å; L375-R430 HydrophobicContact CB-CB 4.35Å; L375-R430 PolarHBondContact N-O 2.89Å; L375-R430 PolarHBondContact O-N 2.69Å; R430-S432 VanDerWaalsContact CZ-O 3.28Å; R430-S432 PolarHBondContact NH1-O 3.45Å; R430-S432 PolarHBondContact NH2-O 2.85Å; R430-W434 CarbonylContact C-O 3.47Å; R430-W434 VanDerWaalsContact CA-O 3.24Å; R430-W434 WeakPolarHBondContact CA-O 3.28Å |
| 431 | S | 97.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 21.4 Ų | 21.4 | 13% | 0.126 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 125.6 | 174.3 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | Q373 N433 W434 | Q373-S431 WeakPolarHBondContact O-CA 3.45Å; S431-N433 PolarHBondContact O-N 3.14Å; S431-N433 VanDerWaalsContact O-N 3.11Å; S431-W434 PolarHBondContact N-O 2.04Å; S431-W434 PolarHBondContact O-N 2.87Å |
| 432 | S | 92.3 | Very high | 95.6 | Very high | 60 Ų | 60 | 21.2 Ų | 21.2 | 42% | 0.42 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -114 | -170.7 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | Q373 R430 | Q373-S432 PolarHBondContact O-N 2.85Å; R430-S432 VanDerWaalsContact CZ-O 3.28Å; R430-S432 PolarHBondContact NH1-O 3.45Å; R430-S432 PolarHBondContact NH2-O 2.85Å |
| 433 | N | 96.2 | Very high | 95.4 | Very high | 48 Ų | 48 | 17 Ų | 17 | 26% | 0.257 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -10 | -178 | -58.1 | -4.8 | 0 | 0 | 0 | 112.6 | S431 D472 V473 E474 | S431-N433 PolarHBondContact O-N 3.14Å; S431-N433 VanDerWaalsContact O-N 3.11Å; N433-D472 CarbonylContact O-C 3.18Å; N433-D472 WeakPolarHBondContact O-CA 3.41Å; N433-V473 VanDerWaalsContact O-CG2 3.3Å; N433-V473 WeakPolarHBondContact O-CG2 3.43Å; N433-V473 PolarHBondContact O-N 3.36Å; N433-E474 HydrophobicContact CB-CB 4.04Å; N433-E474 PolarHBondContact ND2-OE2 3.12Å; N433-E474 PolarHBondContact OD1-OE2 3.2Å |
| 434 | W | 98.5 | Very high | 94.9 | Very high | 51 Ų | 51 | 16.3 Ų | 16.3 | 19% | 0.193 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 139.1 | -170.2 | -60.4 | 104.2 | 0 | 0 | 0 | 111.1 | R430 S431 L470 F471 D472 V483 F487 V490 L494 | R430-W434 CarbonylContact C-O 3.47Å; R430-W434 VanDerWaalsContact CA-O 3.24Å; R430-W434 WeakPolarHBondContact CA-O 3.28Å; S431-W434 PolarHBondContact N-O 2.04Å; S431-W434 PolarHBondContact O-N 2.87Å; W434-L470 HydrophobicContact CB-CD1 4.25Å; W434-L470 HydrophobicContact CE3-CD1 4.15Å; W434-L470 HydrophobicContact CE3-CD2 3.93Å; W434-L470 HydrophobicContact CE3-CG 3.92Å; W434-L470 HydrophobicContact CZ3-CD2 4.08Å; W434-L470 HydrophobicContact CZ3-CG 4.34Å; W434-F471 CarbonylContact C-O 3.57Å; W434-F471 WeakPolarHBondContact CA-O 3.22Å; W434-D472 HydrophobicContact CE3-CB 4.13Å; W434-D472 HydrophobicContact CH2-CB 4.3Å; W434-D472 HydrophobicContact CZ3-CB 3.85Å; W434-V483 HydrophobicContact CZ3-CG2 3.86Å; W434-F487 AromaticContact CH2-CD1 3.96Å; W434-F487 HydrophobicContact CH2-CD1 3.96Å; W434-F487 AromaticContact CH2-CD2 3.72Å; W434-F487 HydrophobicContact CH2-CD2 3.72Å; W434-F487 HydrophobicContact CH2-CE1 4.02Å; W434-F487 AromaticContact CH2-CE2 3.8Å; W434-F487 HydrophobicContact CH2-CE2 3.8Å; W434-F487 AromaticContact CH2-CG 3.81Å; W434-F487 HydrophobicContact CH2-CG 3.81Å; W434-F487 AromaticContact CH2-CZ 3.95Å; W434-F487 HydrophobicContact CH2-CZ 3.95Å; W434-F487 HydrophobicContact CZ2-CD1 4.29Å; W434-F487 HydrophobicContact CZ2-CE1 4.41Å; W434-F487 HydrophobicContact CZ2-CG 4.47Å; W434-F487 HydrophobicContact CZ3-CD2 4.01Å; W434-F487 HydrophobicContact CZ3-CE2 4.32Å; W434-F487 HydrophobicContact CZ3-CG 4.31Å; W434-V490 HydrophobicContact CB-CG1 4.03Å; W434-V490 HydrophobicContact CD2-CG1 3.81Å; W434-V490 HydrophobicContact CE3-CG1 4.33Å; W434-V490 HydrophobicContact CG-CG1 3.64Å; W434-V490 HydrophobicContact CZ2-CG2 4.48Å; W434-L494 HydrophobicContact CB-CD1 3.96Å |
| 435 | K | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.4 | 169.7 | -172.4 | -177.1 | 176.2 | -168.1 | 0 | 109.5 | L305 E307 I429 L437 L470 F471 V473 E479 | L305-K435 VanDerWaalsContact O-CE 3.27Å; L305-K435 WeakPolarHBondContact O-CE 3.07Å; L305-K435 PolarHBondContact O-NZ 2.93Å; E307-K435 WeakPolarHBondContact OE1-CD 3.06Å; E307-K435 WeakPolarHBondContact OE1-CE 3.46Å; E307-K435 IonicContact OE1-NZ 3.79Å; E307-K435 PolarHBondContact OE1-NZ 2.85Å; I429-K435 WeakPolarHBondContact O-CA 3.19Å; K435-L437 HydrophobicContact CD-CD1 4.38Å; K435-L437 HydrophobicContact CG-CD1 4.28Å; K435-L470 WeakPolarHBondContact O-CA 3.46Å; K435-F471 PolarHBondContact N-O 3.15Å; K435-F471 PolarHBondContact O-N 3.19Å; K435-V473 HydrophobicContact CB-CG1 3.56Å; K435-V473 HydrophobicContact CB-CG2 4.27Å; K435-V473 HydrophobicContact CD-CG1 3.92Å; K435-V473 HydrophobicContact CG-CG1 4.42Å; K435-E479 WeakPolarHBondContact CE-OE1 3.28Å; K435-E479 IonicContact NZ-OE1 2.65Å; K435-E479 PolarHBondContact NZ-OE1 3.04Å |
| 436 | L | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134.7 | 174.2 | -173.7 | 79.8 | 0 | 0 | 0 | 109 | A428 I429 T438 I468 M469 L470 V491 L494 L495 L498 | A428-L436 CarbonylContact C-O 3.59Å; A428-L436 WeakPolarHBondContact CA-O 3.24Å; A428-L436 WeakPolarHBondContact CB-O 3.42Å; I429-L436 HydrophobicContact CG2-CB 3.98Å; I429-L436 HydrophobicContact CG2-CD2 4.49Å; I429-L436 PolarHBondContact N-O 3.19Å; I429-L436 PolarHBondContact O-N 2.98Å; L436-T438 HydrophobicContact CD2-CG2 4.3Å; L436-I468 HydrophobicContact CD1-CG2 3.68Å; L436-M469 WeakPolarHBondContact CA-O 3.43Å; L436-L470 HydrophobicContact CB-CD1 4.28Å; L436-L470 HydrophobicContact CD1-CB 4.25Å; L436-L470 HydrophobicContact CD1-CD1 4.07Å; L436-V491 HydrophobicContact CD1-CG1 4.2Å; L436-V491 HydrophobicContact CD1-CG2 4.26Å; L436-L494 HydrophobicContact CB-CB 3.94Å; L436-L494 HydrophobicContact CB-CD1 3.69Å; L436-L494 HydrophobicContact CB-CG 4.43Å; L436-L494 HydrophobicContact CD2-CB 3.67Å; L436-L494 HydrophobicContact CG-CB 4.33Å; L436-L495 HydrophobicContact CD2-CD2 3.78Å; L436-L495 HydrophobicContact CD2-CG 3.91Å; L436-L498 HydrophobicContact CD2-CD1 3.96Å |
| 437 | L | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 140.5 | 169.6 | -55.5 | 97.2 | 0 | 0 | 0 | 109.8 | L305 W306 A427 A428 K435 P441 M469 F471 | L305-L437 HydrophobicContact CB-CD2 4.2Å; W306-L437 HydrophobicContact CD2-CD2 4.22Å; W306-L437 HydrophobicContact CE3-CD1 4.39Å; W306-L437 HydrophobicContact CE3-CD2 3.83Å; W306-L437 HydrophobicContact CZ3-CD1 4.14Å; W306-L437 HydrophobicContact CZ3-CD2 4.14Å; A427-L437 WeakPolarHBondContact O-CA 3.43Å; A428-L437 HydrophobicContact CB-CD2 4.34Å; A428-L437 HydrophobicContact CB-CG 4.06Å; K435-L437 HydrophobicContact CD-CD1 4.38Å; K435-L437 HydrophobicContact CG-CD1 4.28Å; L437-P441 HydrophobicContact CB-CG 3.98Å; L437-P441 HydrophobicContact CD2-CB 3.68Å; L437-P441 HydrophobicContact CD2-CG 3.93Å; L437-M469 HydrophobicContact CB-CE 4.29Å; L437-M469 PolarHBondContact N-O 2.68Å; L437-M469 PolarHBondContact O-N 2.82Å; L437-F471 HydrophobicContact CD1-CD2 3.64Å; L437-F471 HydrophobicContact CD1-CE2 3.68Å |
| 438 | T | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 160.9 | 175.2 | 62.7 | 0 | 0 | 0 | 0 | 111.5 | F421 V423 I425 A427 L436 P467 L495 L498 | F421-T438 HydrophobicContact CE1-CG2 4.32Å; V423-T438 HydrophobicContact CB-CG2 4.49Å; I425-T438 CarbonylContact O-C 3.45Å; I425-T438 PolarHBondContact O-OG1 3.08Å; A427-T438 WeakPolarHBondContact CB-OG1 3.17Å; A427-T438 PolarHBondContact N-O 3.29Å; A427-T438 PolarHBondContact O-N 3.13Å; L436-T438 HydrophobicContact CD2-CG2 4.3Å; T438-P467 VanDerWaalsContact CA-O 3.28Å; T438-P467 WeakPolarHBondContact CA-O 3.35Å; T438-L495 HydrophobicContact CG2-CD2 3.91Å; T438-L498 HydrophobicContact CG2-CD1 4.13Å |
| 439 | G | 93.1 | Very high | 92.9 | Very high | 12 Ų | 12 | 19.9 Ų | 19.9 | 12% | 0.124 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 65.1 | -144.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V423 S424 I425 P441 P467 | V423-G439 WeakPolarHBondContact O-CA 3.38Å; V423-G439 PolarHBondContact O-N 3.03Å; S424-G439 WeakPolarHBondContact O-CA 3.34Å; I425-G439 PolarHBondContact O-N 3.08Å; G439-P441 WeakPolarHBondContact O-CD 3.49Å; G439-P467 PolarHBondContact N-O 3.12Å; G439-P467 VanDerWaalsContact N-O 3.12Å |
| 440 | Y | 92.2 | Very high | 92.2 | Very high | 31 Ų | 31 | 20.8 Ų | 20.8 | 12% | 0.122 | 11% | 0.106 | C | C | . | . | trans | -97.7 | 107.8 | 172.6 | 175 | -108.2 | 0 | 0 | 0 | 109.5 | Y383 D385 H401 P403 H426 G442 C443 L465 | Y383-Y440 HydrophobicContact CD1-CD1 4Å; Y383-Y440 AromaticContact CE1-CD1 3.56Å; Y383-Y440 HydrophobicContact CE1-CD1 3.56Å; Y383-Y440 AromaticContact CE1-CE1 3.8Å; Y383-Y440 HydrophobicContact CE1-CE1 3.8Å; D385-Y440 HydrophobicContact CB-CE1 3.92Å; D385-Y440 PolarHBondContact OD2-OH 3.09Å; H401-Y440 PolarHBondContact O-OH 3.44Å; P403-Y440 HydrophobicContact CG-CD1 4.49Å; H426-Y440 PolarHBondContact ND1-O 3.38Å; Y440-G442 VanDerWaalsContact CE1-CA 3.42Å; Y440-G442 VanDerWaalsContact CZ-C 3.47Å; Y440-G442 PolarHBondContact O-N 3.35Å; Y440-G442 VanDerWaalsContact OH-C 3.3Å; Y440-C443 WeakPolarHBondContact OH-CA 3.5Å; Y440-C443 PolarHBondContact OH-N 2.79Å; Y440-C443 VanDerWaalsContact OH-N 3.07Å; Y440-L465 HydrophobicContact CD2-CD1 3.54Å; Y440-L465 HydrophobicContact CE2-CD1 3.78Å | ||
| 441 | P | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -73.2 | -7.2 | -175 | -19.5 | 34.2 | 0 | 0 | 0 | 114.8 | S304 L305 W306 H426 L437 G439 M469 | S304-P441 CarbonylContact C-O 3.47Å; S304-P441 WeakPolarHBondContact CA-O 3.49Å; S304-P441 WeakPolarHBondContact CB-O 2.96Å; L305-P441 HydrophobicContact CB-CB 4.43Å; L305-P441 PolarHBondContact N-O 3.23Å; W306-P441 HydrophobicContact CD2-CB 4.31Å; W306-P441 HydrophobicContact CH2-CG 4.38Å; W306-P441 HydrophobicContact CZ2-CB 4.14Å; W306-P441 HydrophobicContact CZ2-CG 3.84Å; H426-P441 PolarHBondContact CE1-O 3.42Å; L437-P441 HydrophobicContact CB-CG 3.98Å; L437-P441 HydrophobicContact CD2-CB 3.68Å; L437-P441 HydrophobicContact CD2-CG 3.93Å; G439-P441 WeakPolarHBondContact O-CD 3.49Å; P441-M469 HydrophobicContact CG-CE 3.46Å; P441-M469 VanDerWaalsContact CG-CE 3.46Å | ||
| 442 | G | 90.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 105.5 | 171.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W306 Y383 Y440 E444 | W306-G442 PolarHBondContact NE1-O 3.22Å; Y383-G442 VanDerWaalsContact OH-CA 3.28Å; Y383-G442 WeakPolarHBondContact OH-CA 3.12Å; Y440-G442 VanDerWaalsContact CE1-CA 3.42Å; Y440-G442 VanDerWaalsContact CZ-C 3.47Å; Y440-G442 PolarHBondContact O-N 3.35Å; Y440-G442 VanDerWaalsContact OH-C 3.3Å; G442-E444 PolarHBondContact O-N 2.92Å; G442-E444 VanDerWaalsContact O-N 3.12Å |
| 443 | C | 88.2 | Confident | 88.2 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | trans | -49 | 117 | -174.1 | -178.4 | 0 | 0 | 0 | 0 | 113.5 | G300 D385 C400 Y440 V445 | G300-C443 WeakPolarHBondContact CA-O 3.49Å; D385-C443 PolarHBondContact OD2-N 3.18Å; C400-C443 HydrophobicContact CB-CB 3.65Å; C400-C443 WeakPolarHBondContact CB-SG 3.39Å; C400-C443 WeakPolarHBondContact SG-CB 3.21Å; C400-C443 CovalentContact SG-SG 2.02Å; C400-C443 PolarHBondContact SG-SG 2.74Å; Y440-C443 WeakPolarHBondContact OH-CA 3.5Å; Y440-C443 PolarHBondContact OH-N 2.79Å; Y440-C443 VanDerWaalsContact OH-N 3.07Å; C443-V445 VanDerWaalsContact C-N 3.33Å; C443-V445 PolarHBondContact O-N 2.9Å | ||
| 444 | E | 82.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | trans | -91.3 | 16 | -167.6 | 75.1 | -98.2 | -141.1 | 0 | 0 | 115.7 | R299 W306 H401 G442 L462 L465 | R299-E444 WeakPolarHBondContact CG-O 3.45Å; R299-E444 PolarHBondContact NE-O 2.91Å; W306-E444 HydrophobicContact CZ2-CB 3.54Å; W306-E444 VanDerWaalsContact NE1-CA 3.35Å; H401-E444 IonicContact CD2-OE1 2.96Å; H401-E444 PolarHBondContact CD2-OE1 3.1Å; H401-E444 IonicContact CG-OE1 3.62Å; H401-E444 IonicContact NE2-OE1 3.96Å; G442-E444 PolarHBondContact O-N 2.92Å; G442-E444 VanDerWaalsContact O-N 3.12Å; E444-L462 HydrophobicContact CG-CD1 3.9Å; E444-L462 HydrophobicContact CG-CD2 3.84Å; E444-L462 HydrophobicContact CG-CG 4.41Å; E444-L465 HydrophobicContact CB-CD2 4.05Å; E444-L465 HydrophobicContact CG-CD2 3.91Å; E444-L465 HydrophobicContact CG-CG 4.42Å; E444-L465 WeakPolarHBondContact OE1-CD1 3.45Å; E444-L465 VanDerWaalsContact OE1-CG 3.23Å; E444-L465 WeakPolarHBondContact OE1-CG 3.17Å | ||
| 445 | V | 86.1 | Confident | 83.6 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | trans | -77.3 | 138 | -174.6 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | G300 I399 C443 F447 L462 | G300-V445 WeakPolarHBondContact CA-O 3.38Å; G300-V445 PolarHBondContact N-O 3.34Å; I399-V445 HydrophobicContact CB-CG2 4.29Å; I399-V445 HydrophobicContact CG2-CG1 4.12Å; I399-V445 HydrophobicContact CG2-CG2 3.6Å; C443-V445 VanDerWaalsContact C-N 3.33Å; C443-V445 PolarHBondContact O-N 2.9Å; V445-F447 HydrophobicContact CB-CD2 4.24Å; V445-F447 HydrophobicContact CB-CE1 4.22Å; V445-F447 HydrophobicContact CB-CE2 3.81Å; V445-F447 HydrophobicContact CB-CZ 3.8Å; V445-F447 HydrophobicContact CG1-CD1 4.05Å; V445-F447 HydrophobicContact CG1-CD2 4.24Å; V445-F447 HydrophobicContact CG1-CE1 4.01Å; V445-F447 HydrophobicContact CG1-CE2 4.21Å; V445-F447 HydrophobicContact CG1-CG 4.17Å; V445-F447 HydrophobicContact CG1-CZ 4.09Å; V445-F447 HydrophobicContact CG2-CZ 4.48Å; V445-F447 WeakPolarHBondContact O-CD2 3.37Å; V445-F447 PolarHBondContact O-N 3.38Å; V445-L462 HydrophobicContact CG2-CD1 3.99Å | ||
| 446 | W | 89.9 | Confident | 81 | Confident | 32 Ų | 32 | 40.6 Ų | 40.6 | 12% | 0.121 | 24% | 0.235 | C | C | . | . | trans | -82.3 | 100.4 | 159.3 | -72.7 | -94.8 | 0 | 0 | 0 | 108.5 | W296 P297 R299 P448 L462 E478 E479 R480 | W296-W446 HydrophobicContact CZ3-CB 4.33Å; P297-W446 VanDerWaalsContact O-CD1 3.28Å; R299-W446 HydrophobicContact CB-CD2 4.23Å; R299-W446 HydrophobicContact CB-CZ2 4.04Å; R299-W446 VanDerWaalsContact CD-CH2 3.45Å; R299-W446 HydrophobicContact CG-CD2 3.83Å; R299-W446 HydrophobicContact CG-CE3 4.12Å; R299-W446 HydrophobicContact CG-CG 4.42Å; R299-W446 HydrophobicContact CG-CH2 4.11Å; R299-W446 HydrophobicContact CG-CZ2 3.77Å; R299-W446 HydrophobicContact CG-CZ3 4.25Å; R299-W446 VanDerWaalsContact CZ-CZ3 3.49Å; R299-W446 VanDerWaalsContact NE-CZ3 3.33Å; W446-P448 WeakPolarHBondContact O-CD 3.41Å; W446-L462 HydrophobicContact CZ3-CD2 4.43Å; W446-E478 VanDerWaalsContact CE2-O 3.28Å; W446-E478 WeakPolarHBondContact CZ2-O 3.4Å; W446-E478 PolarHBondContact NE1-O 2.65Å; W446-E479 VanDerWaalsContact CZ2-O 3.29Å; W446-E479 WeakPolarHBondContact CZ2-O 3.39Å; W446-R480 HydrophobicContact CZ2-CB 4.44Å; W446-R480 HydrophobicContact CZ2-CG 3.87Å | ||
| 447 | F | 88.5 | Confident | 78.3 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 117.3 | 177.7 | -63.8 | -87.9 | 0 | 0 | 0 | 108.5 | T289 W296 R301 V445 | T289-F447 HydrophobicContact CG2-CB 3.84Å; T289-F447 HydrophobicContact CG2-CD1 4.1Å; T289-F447 HydrophobicContact CG2-CD2 3.64Å; T289-F447 HydrophobicContact CG2-CE2 4.2Å; T289-F447 HydrophobicContact CG2-CG 3.57Å; T289-F447 WeakPolarHBondContact OG1-CD1 3.31Å; T289-F447 VanDerWaalsContact OG1-CE1 3.27Å; T289-F447 WeakPolarHBondContact OG1-CE1 3.31Å; T289-F447 WeakPolarHBondContact OG1-CZ 3.46Å; W296-F447 VanDerWaalsContact CE3-O 3.31Å; R301-F447 HydrophobicContact CB-CD2 4.49Å; R301-F447 HydrophobicContact CB-CE2 4.12Å; R301-F447 HydrophobicContact CG-CE2 3.86Å; R301-F447 HydrophobicContact CG-CZ 4.35Å; V445-F447 HydrophobicContact CB-CD2 4.24Å; V445-F447 HydrophobicContact CB-CE1 4.22Å; V445-F447 HydrophobicContact CB-CE2 3.81Å; V445-F447 HydrophobicContact CB-CZ 3.8Å; V445-F447 HydrophobicContact CG1-CD1 4.05Å; V445-F447 HydrophobicContact CG1-CD2 4.24Å; V445-F447 HydrophobicContact CG1-CE1 4.01Å; V445-F447 HydrophobicContact CG1-CE2 4.21Å; V445-F447 HydrophobicContact CG1-CG 4.17Å; V445-F447 HydrophobicContact CG1-CZ 4.09Å; V445-F447 HydrophobicContact CG2-CZ 4.48Å; V445-F447 WeakPolarHBondContact O-CD2 3.37Å; V445-F447 PolarHBondContact O-N 3.38Å |
| 448 | P | 85.6 | Confident | 75.7 | Confident | 39 Ų | 39 | 46.2 Ų | 46.2 | 25% | 0.253 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 161.4 | -171.7 | 27.4 | -35.3 | 0 | 0 | 0 | 111.2 | W446 | W446-P448 WeakPolarHBondContact O-CD 3.41Š|
| 449 | R | 87.1 | Confident | 73.5 | Confident | 105 Ų | 105 | 49.3 Ų | 49.3 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -47.5 | 127.7 | 171.1 | -177.7 | -179.9 | 179.7 | 176.6 | 11.3 | 110.5 | Y42 W296 G451 Y452 | Y42-R449 HydrophobicContact CD1-CG 4.44Å; Y42-R449 HydrophobicContact CE1-CG 3.62Å; Y42-R449 PolarHBondContact OH-NE 2.7Å; Y42-R449 PolarHBondContact OH-NH2 2.55Å; W296-R449 HydrophobicContact CD2-CB 4.5Å; W296-R449 HydrophobicContact CG-CB 4.22Å; R449-G451 PolarHBondContact O-N 3.14Å; R449-Y452 WeakPolarHBondContact O-CB 3.29Å; R449-Y452 PolarHBondContact O-N 3.11Å |
| 450 | P | 84.6 | Confident | 71.4 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 136 | 176.2 | -25.8 | 35.5 | 0 | 0 | 0 | 112 | R247 Y452 | R247-P450 HydrophobicContact CG-CB 4.02Å; P450-Y452 VanDerWaalsContact C-N 3.29Å; P450-Y452 PolarHBondContact O-N 3.29Å |
| 451 | G | 74.1 | Confident | 69.5 | Low | 81 Ų | 81 | 60.6 Ų | 60.6 | 84% | 0.835 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 1.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | R449 | R449-G451 PolarHBondContact O-N 3.14Š|
| 452 | Y | 72.1 | Confident | 67.9 | Low | 121 Ų | 121 | 62.2 Ų | 62.2 | 48% | 0.475 | 36% | 0.363 | S | S | . | . | trans | -89.7 | 116.4 | 176.4 | -169.8 | -103.6 | 0 | 0 | 0 | 112.1 | R449 P450 | R449-Y452 WeakPolarHBondContact O-CB 3.29Å; R449-Y452 PolarHBondContact O-N 3.11Å; P450-Y452 VanDerWaalsContact C-N 3.29Å; P450-Y452 PolarHBondContact O-N 3.29Å | ||
| 453 | N | 56.8 | Low | 66.5 | Low | 152 Ų | 152 | 64.6 Ų | 64.6 | 81% | 0.813 | 39% | 0.387 | S | S | * | . | trans | -99.3 | 17.4 | 178.7 | -75.1 | -11.6 | 0 | 0 | 0 | 113.9 | ||||
| 454 | G | 52.9 | Low | 65.6 | Low | 20 Ų | 20 | 70 Ų | 70 | 21% | 0.206 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -75 | 174.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D456 S457 | G454-D456 PolarHBondContact O-N 2.83Å; G454-S457 WeakPolarHBondContact O-CB 3.38Å; G454-S457 PolarHBondContact O-N 3.1Å; G454-S457 PolarHBondContact O-OG 2.88Å |
| 455 | S | 44.3 | Very low | 65.3 | Low | 118 Ų | 118 | 72.1 Ų | 72.1 | 83% | 0.825 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -61.7 | -11.3 | -175.1 | 49.4 | 0 | 0 | 0 | 0 | 116 | S457 | S455-S457 PolarHBondContact O-N 2.79Š|
| 456 | D | 45.5 | Very low | 65.2 | Low | 107 Ų | 107 | 76.8 Ų | 76.8 | 57% | 0.572 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -75.8 | -1.3 | 167.5 | -81.5 | -16.2 | 0 | 0 | 0 | 113.5 | G454 G458 | G454-D456 PolarHBondContact O-N 2.83Å; D456-G458 PolarHBondContact O-N 3.34Å |
| 457 | S | 40.7 | Very low | 65 | Low | 70 Ų | 70 | 78.8 Ų | 78.8 | 49% | 0.49 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -70.3 | -12.6 | 171.9 | 54 | 0 | 0 | 0 | 0 | 113.5 | G454 S455 V459 | G454-S457 WeakPolarHBondContact O-CB 3.38Å; G454-S457 PolarHBondContact O-N 3.1Å; G454-S457 PolarHBondContact O-OG 2.88Å; S455-S457 PolarHBondContact O-N 2.79Å; S457-V459 PolarHBondContact O-N 2.78Å |
| 458 | G | 43.3 | Very low | 65.2 | Low | 48 Ų | 48 | 79 Ų | 79 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -71.5 | 107 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | D456 P460 | D456-G458 PolarHBondContact O-N 3.34Å; G458-P460 WeakPolarHBondContact O-CD 3.11Å |
| 459 | V | 50.3 | Low | 65.7 | Low | 65 Ų | 65 | 77.4 Ų | 77.4 | 39% | 0.394 | 46% | 0.461 | S | S | . | . | trans | -43.5 | 118.9 | 163.1 | -179.6 | 0 | 0 | 0 | 0 | 106.2 | I399 S457 K461 L462 | I399-V459 HydrophobicContact CD1-CG2 3.98Å; I399-V459 HydrophobicContact CG1-CG2 4.45Å; I399-V459 HydrophobicContact CG2-CB 4.04Å; I399-V459 HydrophobicContact CG2-CG1 3.35Å; I399-V459 HydrophobicContact CG2-CG2 3.52Å; S457-V459 PolarHBondContact O-N 2.78Å; V459-K461 PolarHBondContact O-N 3.36Å; V459-L462 HydrophobicContact CG1-CD1 4.5Å | ||
| 460 | P | 50.4 | Low | 66.2 | Low | 67 Ų | 67 | 72.4 Ų | 72.4 | 44% | 0.435 | 44% | 0.442 | S | S | . | . | trans | -49.7 | 137.7 | 178.4 | -25 | 31.9 | 0 | 0 | 0 | 108.1 | G458 L462 | G458-P460 WeakPolarHBondContact O-CD 3.11Å; P460-L462 PolarHBondContact O-N 2.66Å | ||
| 461 | K | 50.9 | Low | 66.8 | Low | 214 Ų | 214 | 71.5 Ų | 71.5 | 93% | 0.93 | 44% | 0.436 | S | S | * | . | trans | -59.3 | 95.8 | 169.1 | -81.1 | -175.6 | 177.1 | -179.7 | 0 | 107.1 | V459 G463 | V459-K461 PolarHBondContact O-N 3.36Å; K461-G463 PolarHBondContact O-N 2.91Å | ||
| 462 | L | 61.5 | Low | 68 | Low | 34 Ų | 34 | 68.7 Ų | 68.7 | 18% | 0.178 | 40% | 0.402 | C | S | . | . | trans | -70.3 | 113.9 | -177.7 | -74.1 | 165.4 | 0 | 0 | 0 | 106.9 | H401 E444 V445 W446 V459 P460 | H401-L462 VanDerWaalsContact NE2-CB 3.33Å; H401-L462 WeakPolarHBondContact NE2-CB 3.18Å; H401-L462 PolarHBondContact NE2-O 2.92Å; E444-L462 HydrophobicContact CG-CD1 3.9Å; E444-L462 HydrophobicContact CG-CD2 3.84Å; E444-L462 HydrophobicContact CG-CG 4.41Å; V445-L462 HydrophobicContact CG2-CD1 3.99Å; W446-L462 HydrophobicContact CZ3-CD2 4.43Å; V459-L462 HydrophobicContact CG1-CD1 4.5Å; P460-L462 PolarHBondContact O-N 2.66Å | ||
| 463 | G | 61.9 | Low | 69.2 | Low | 49 Ų | 49 | 63.1 Ų | 63.1 | 51% | 0.505 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 165.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | K461 L465 | K461-G463 PolarHBondContact O-N 2.91Å; G463-L465 PolarHBondContact O-N 2.95Å |
| 464 | P | 68.9 | Low | 71 | Confident | 116 Ų | 116 | 62 Ų | 62 | 75% | 0.753 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 135.5 | 177.2 | 25.6 | -33.5 | 0 | 0 | 0 | 110.4 | K466 | P464-K466 PolarHBondContact O-N 3.21Š|
| 465 | L | 75.5 | Confident | 73.1 | Confident | 45 Ų | 45 | 69 Ų | 69 | 24% | 0.236 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 135.3 | 174.6 | -76 | 172.4 | 0 | 0 | 0 | 110.4 | W306 Y440 E444 G463 M469 | W306-L465 HydrophobicContact CZ2-CD2 4.03Å; Y440-L465 HydrophobicContact CD2-CD1 3.54Å; Y440-L465 HydrophobicContact CE2-CD1 3.78Å; E444-L465 HydrophobicContact CB-CD2 4.05Å; E444-L465 HydrophobicContact CG-CD2 3.91Å; E444-L465 HydrophobicContact CG-CG 4.42Å; E444-L465 WeakPolarHBondContact OE1-CD1 3.45Å; E444-L465 VanDerWaalsContact OE1-CG 3.23Å; E444-L465 WeakPolarHBondContact OE1-CG 3.17Å; G463-L465 PolarHBondContact O-N 2.95Å; L465-M469 HydrophobicContact CD2-CE 4.37Å; L465-M469 HydrophobicContact CD2-SD 3.92Å |
| 466 | K | 83.8 | Confident | 75.6 | Confident | 102 Ų | 102 | 64.1 Ų | 64.1 | 44% | 0.443 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -78 | 144.2 | 170.3 | -63.2 | -178.2 | -176 | 178.5 | 0 | 108.7 | P464 I468 M469 E482 | P464-K466 PolarHBondContact O-N 3.21Å; K466-I468 VanDerWaalsContact CB-O 3.29Å; K466-I468 WeakPolarHBondContact CB-O 3.26Å; K466-I468 PolarHBondContact O-N 2.91Å; K466-M469 HydrophobicContact CB-CG 3.98Å; K466-M469 WeakPolarHBondContact O-CE 3.04Å; K466-E482 WeakPolarHBondContact CD-OE2 3.34Å; K466-E482 IonicContact NZ-OE2 2.66Å; K466-E482 PolarHBondContact NZ-OE2 3.3Å |
| 467 | P | 85.6 | Confident | 78.1 | Confident | 74 Ų | 74 | 61 Ų | 61 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -66.2 | -17 | 175.2 | 26.4 | -33.6 | 0 | 0 | 0 | 113.1 | T438 G439 | T438-P467 VanDerWaalsContact CA-O 3.28Å; T438-P467 WeakPolarHBondContact CA-O 3.35Å; G439-P467 PolarHBondContact N-O 3.12Å; G439-P467 VanDerWaalsContact N-O 3.12Å |
| 468 | I | 92.9 | Very high | 80.7 | Confident | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.062 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 130.8 | 176.3 | -55.4 | 172 | 0 | 0 | 0 | 108 | W416 V423 L436 K466 V491 L495 | W416-I468 HydrophobicContact CB-CD1 3.8Å; W416-I468 HydrophobicContact CD2-CD1 4.07Å; W416-I468 HydrophobicContact CG-CD1 3.63Å; V423-I468 HydrophobicContact CB-CD1 4.23Å; V423-I468 HydrophobicContact CB-CG1 3.93Å; V423-I468 HydrophobicContact CG1-CD1 3.84Å; V423-I468 HydrophobicContact CG1-CG1 3.97Å; V423-I468 HydrophobicContact CG2-CD1 4.45Å; V423-I468 HydrophobicContact CG2-CG1 4.37Å; L436-I468 HydrophobicContact CD1-CG2 3.68Å; K466-I468 VanDerWaalsContact CB-O 3.29Å; K466-I468 WeakPolarHBondContact CB-O 3.26Å; K466-I468 PolarHBondContact O-N 2.91Å; I468-V491 HydrophobicContact CG2-CG1 3.84Å; I468-L495 HydrophobicContact CD1-CD1 4.31Å |
| 469 | M | 96.1 | Very high | 83.3 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 130.7 | 178.2 | -64.7 | 165.5 | -73.4 | 0 | 0 | 109.7 | W306 L436 L437 P441 L465 K466 F471 E482 | W306-M469 HydrophobicContact CH2-CE 3.94Å; W306-M469 HydrophobicContact CH2-SD 3.56Å; W306-M469 VanDerWaalsContact CH2-SD 3.56Å; W306-M469 HydrophobicContact CZ2-CE 4.24Å; W306-M469 HydrophobicContact CZ2-SD 4.22Å; L436-M469 WeakPolarHBondContact CA-O 3.43Å; L437-M469 HydrophobicContact CB-CE 4.29Å; L437-M469 PolarHBondContact N-O 2.68Å; L437-M469 PolarHBondContact O-N 2.82Å; P441-M469 HydrophobicContact CG-CE 3.46Å; P441-M469 VanDerWaalsContact CG-CE 3.46Å; L465-M469 HydrophobicContact CD2-CE 4.37Å; L465-M469 HydrophobicContact CD2-SD 3.92Å; K466-M469 HydrophobicContact CB-CG 3.98Å; K466-M469 WeakPolarHBondContact O-CE 3.04Å; M469-F471 HydrophobicContact CB-CE2 3.68Å; M469-F471 HydrophobicContact CB-CZ 4.15Å; M469-E482 HydrophobicContact CB-CG 3.92Å; M469-E482 HydrophobicContact CG-CG 3.98Å |
| 470 | L | 98 | Very high | 85.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.9 | 179 | -177.3 | 73.5 | 0 | 0 | 0 | 110.3 | W434 K435 L436 E482 V483 F487 V490 V491 L494 | W434-L470 HydrophobicContact CB-CD1 4.25Å; W434-L470 HydrophobicContact CE3-CD1 4.15Å; W434-L470 HydrophobicContact CE3-CD2 3.93Å; W434-L470 HydrophobicContact CE3-CG 3.92Å; W434-L470 HydrophobicContact CZ3-CD2 4.08Å; W434-L470 HydrophobicContact CZ3-CG 4.34Å; K435-L470 WeakPolarHBondContact O-CA 3.46Å; L436-L470 HydrophobicContact CB-CD1 4.28Å; L436-L470 HydrophobicContact CD1-CB 4.25Å; L436-L470 HydrophobicContact CD1-CD1 4.07Å; L470-E482 PolarHBondContact N-OE1 3.22Å; L470-E482 VanDerWaalsContact N-OE1 3.1Å; L470-V483 HydrophobicContact CD2-CG2 4.46Å; L470-V483 HydrophobicContact CG-CG2 4.43Å; L470-V483 WeakPolarHBondContact O-CG2 3.39Å; L470-V483 PolarHBondContact O-N 2.88Å; L470-F487 HydrophobicContact CD2-CB 3.85Å; L470-V490 HydrophobicContact CD1-CG1 4.03Å; L470-V490 HydrophobicContact CD2-CB 4Å; L470-V490 HydrophobicContact CD2-CG1 3.88Å; L470-V491 HydrophobicContact CB-CG2 4.18Å; L470-V491 HydrophobicContact CD2-CG2 3.89Å; L470-V491 HydrophobicContact CG-CG2 4.5Å; L470-L494 HydrophobicContact CD1-CD1 3.71Å |
| 471 | F | 98.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143 | 178.2 | -57.7 | -84.1 | 0 | 0 | 0 | 111.4 | W306 W434 K435 L437 M469 V473 E479 N481 E482 | W306-F471 HydrophobicContact CH2-CE2 4.4Å; W306-F471 HydrophobicContact CH2-CZ 4.45Å; W306-F471 AromaticContact CZ3-CE2 3.69Å; W306-F471 HydrophobicContact CZ3-CE2 3.69Å; W306-F471 AromaticContact CZ3-CZ 3.92Å; W306-F471 HydrophobicContact CZ3-CZ 3.92Å; W434-F471 CarbonylContact C-O 3.57Å; W434-F471 WeakPolarHBondContact CA-O 3.22Å; K435-F471 PolarHBondContact N-O 3.15Å; K435-F471 PolarHBondContact O-N 3.19Å; L437-F471 HydrophobicContact CD1-CD2 3.64Å; L437-F471 HydrophobicContact CD1-CE2 3.68Å; M469-F471 HydrophobicContact CB-CE2 3.68Å; M469-F471 HydrophobicContact CB-CZ 4.15Å; F471-V473 HydrophobicContact CB-CG1 4.05Å; F471-V473 PolarHBondContact O-N 2.91Å; F471-E479 HydrophobicContact CB-CG 4.42Å; F471-E479 HydrophobicContact CD1-CB 3.86Å; F471-E479 HydrophobicContact CD1-CG 4.38Å; F471-E479 HydrophobicContact CD2-CB 4.26Å; F471-E479 HydrophobicContact CD2-CG 4.2Å; F471-E479 HydrophobicContact CE1-CB 3.93Å; F471-E479 WeakPolarHBondContact CE1-O 3.36Å; F471-E479 HydrophobicContact CE2-CB 4.33Å; F471-E479 HydrophobicContact CG-CB 4.04Å; F471-E479 HydrophobicContact CG-CG 4.07Å; F471-E479 HydrophobicContact CZ-CB 4.17Å; F471-N481 WeakPolarHBondContact CD1-O 3.37Å; F471-E482 HydrophobicContact CE1-CB 3.82Å; F471-E482 HydrophobicContact CE1-CG 4.27Å; F471-E482 HydrophobicContact CZ-CB 4.01Å; F471-E482 HydrophobicContact CZ-CG 4Å |
| 472 | D | 98.1 | Very high | 89.5 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 12% | 0.118 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 87.8 | 164.4 | -179.9 | -15.1 | 0 | 0 | 0 | 107.6 | N433 W434 E474 K475 D476 | N433-D472 CarbonylContact O-C 3.18Å; N433-D472 WeakPolarHBondContact O-CA 3.41Å; W434-D472 HydrophobicContact CE3-CB 4.13Å; W434-D472 HydrophobicContact CH2-CB 4.3Å; W434-D472 HydrophobicContact CZ3-CB 3.85Å; D472-E474 PolarHBondContact O-N 2.85Å; D472-E474 PolarHBondContact OD1-N 3.07Å; D472-K475 PolarHBondContact O-N 3.43Å; D472-K475 PolarHBondContact OD1-N 2.67Å; D472-K475 WeakPolarHBondContact OD2-CD 3.47Å; D472-K475 IonicContact OD2-NZ 3.72Å; D472-K475 PolarHBondContact OD2-NZ 3.12Å; D472-D476 WeakPolarHBondContact O-CA 3.38Å; D472-D476 WeakPolarHBondContact O-CB 3.45Å; D472-D476 PolarHBondContact O-N 2.84Å |
| 473 | V | 97.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -8.2 | -171.5 | -64.6 | 0 | 0 | 0 | 0 | 113.9 | N433 K435 F471 P477 E479 | N433-V473 VanDerWaalsContact O-CG2 3.3Å; N433-V473 WeakPolarHBondContact O-CG2 3.43Å; N433-V473 PolarHBondContact O-N 3.36Å; K435-V473 HydrophobicContact CB-CG1 3.56Å; K435-V473 HydrophobicContact CB-CG2 4.27Å; K435-V473 HydrophobicContact CD-CG1 3.92Å; K435-V473 HydrophobicContact CG-CG1 4.42Å; F471-V473 HydrophobicContact CB-CG1 4.05Å; F471-V473 PolarHBondContact O-N 2.91Å; V473-P477 WeakPolarHBondContact O-CA 3.4Å; V473-E479 HydrophobicContact CG1-CG 4.46Å |
| 474 | E | 95 | Very high | 92.7 | Very high | 127 Ų | 127 | 51.8 Ų | 51.8 | 59% | 0.593 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -42.5 | 169.6 | -171.3 | -179.7 | -167.1 | 0 | 0 | 110.8 | N433 D472 | N433-E474 HydrophobicContact CB-CB 4.04Å; N433-E474 PolarHBondContact ND2-OE2 3.12Å; N433-E474 PolarHBondContact OD1-OE2 3.2Å; D472-E474 PolarHBondContact O-N 2.85Å; D472-E474 PolarHBondContact OD1-N 3.07Å |
| 475 | K | 96.8 | Very high | 93.9 | Very high | 167 Ų | 167 | 49.9 Ų | 49.9 | 73% | 0.726 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -27.3 | 179.9 | -64.3 | -179.3 | -167.8 | 147.3 | 0 | 113.6 | D472 P477 | D472-K475 PolarHBondContact O-N 3.43Å; D472-K475 PolarHBondContact OD1-N 2.67Å; D472-K475 WeakPolarHBondContact OD2-CD 3.47Å; D472-K475 IonicContact OD2-NZ 3.72Å; D472-K475 PolarHBondContact OD2-NZ 3.12Å; K475-P477 VanDerWaalsContact C-CD 3.46Å |
| 476 | D | 97.3 | Very high | 94.9 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | trans | -128.2 | 67.7 | -178.6 | -177.7 | 28.7 | 0 | 0 | 0 | 110.4 | D472 E478 E479 R480 N481 | D472-D476 WeakPolarHBondContact O-CA 3.38Å; D472-D476 WeakPolarHBondContact O-CB 3.45Å; D472-D476 PolarHBondContact O-N 2.84Å; D476-E478 PolarHBondContact O-N 3.13Å; D476-E478 VanDerWaalsContact O-N 3.11Å; D476-E479 PolarHBondContact O-N 2.89Å; D476-E479 VanDerWaalsContact O-N 3.14Å; D476-E479 PolarHBondContact OD1-N 2.81Å; D476-R480 PolarHBondContact OD1-N 3.26Å; D476-R480 VanDerWaalsContact OD1-N 3.1Å; D476-R480 PolarHBondContact OD2-N 2.74Å; D476-N481 WeakPolarHBondContact OD2-CB 3.45Å; D476-N481 PolarHBondContact OD2-N 2.78Å | ||
| 477 | P | 96.8 | Very high | 95.5 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -11.3 | 179.8 | 29.6 | -37.1 | 0 | 0 | 0 | 113.2 | L298 R311 V473 K475 | L298-P477 WeakPolarHBondContact CD2-O 3.4Å; R311-P477 VanDerWaalsContact NH1-CB 3.25Å; V473-P477 WeakPolarHBondContact O-CA 3.4Å; K475-P477 VanDerWaalsContact C-CD 3.46Å |
| 478 | E | 97.1 | Very high | 95.9 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -2.4 | 179.5 | -61.2 | 178.9 | -148.7 | 0 | 0 | 112.3 | P297 W446 D476 R480 | P297-E478 HydrophobicContact CB-CG 4.03Å; P297-E478 HydrophobicContact CG-CG 3.97Å; W446-E478 VanDerWaalsContact CE2-O 3.28Å; W446-E478 WeakPolarHBondContact CZ2-O 3.4Å; W446-E478 PolarHBondContact NE1-O 2.65Å; D476-E478 PolarHBondContact O-N 3.13Å; D476-E478 VanDerWaalsContact O-N 3.11Å; E478-R480 VanDerWaalsContact C-N 3.29Å; E478-R480 HydrophobicContact CB-CG 3.92Å; E478-R480 PolarHBondContact O-N 2.83Å; E478-R480 IonicContact OE2-CZ 3.14Å; E478-R480 IonicContact OE2-NE 2.78Å; E478-R480 PolarHBondContact OE2-NE 2.97Å; E478-R480 IonicContact OE2-NH2 2.73Å; E478-R480 PolarHBondContact OE2-NH2 3.37Å |
| 479 | E | 97 | Very high | 96 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | 56.5 | 38.5 | 178.9 | -60.6 | 169 | 126.7 | 0 | 0 | 113.4 | R299 W306 E307 K435 W446 F471 V473 D476 | R299-E479 HydrophobicContact CB-CB 4.4Å; R299-E479 PolarHBondContact NH1-O 3.07Å; W306-E479 HydrophobicContact CE3-CB 4.48Å; E307-E479 HydrophobicContact CG-CG 3.9Å; E307-E479 PolarHBondContact N-OE2 3.06Å; K435-E479 WeakPolarHBondContact CE-OE1 3.28Å; K435-E479 IonicContact NZ-OE1 2.65Å; K435-E479 PolarHBondContact NZ-OE1 3.04Å; W446-E479 VanDerWaalsContact CZ2-O 3.29Å; W446-E479 WeakPolarHBondContact CZ2-O 3.39Å; F471-E479 HydrophobicContact CB-CG 4.42Å; F471-E479 HydrophobicContact CD1-CB 3.86Å; F471-E479 HydrophobicContact CD1-CG 4.38Å; F471-E479 HydrophobicContact CD2-CB 4.26Å; F471-E479 HydrophobicContact CD2-CG 4.2Å; F471-E479 HydrophobicContact CE1-CB 3.93Å; F471-E479 WeakPolarHBondContact CE1-O 3.36Å; F471-E479 HydrophobicContact CE2-CB 4.33Å; F471-E479 HydrophobicContact CG-CB 4.04Å; F471-E479 HydrophobicContact CG-CG 4.07Å; F471-E479 HydrophobicContact CZ-CB 4.17Å; V473-E479 HydrophobicContact CG1-CG 4.46Å; D476-E479 PolarHBondContact O-N 2.89Å; D476-E479 VanDerWaalsContact O-N 3.14Å; D476-E479 PolarHBondContact OD1-N 2.81Å | ||
| 480 | R | 94.3 | Very high | 96.1 | Very high | 124 Ų | 124 | 57.6 Ų | 57.6 | 47% | 0.468 | 29% | 0.292 | S | S | . | . | trans | -82.1 | -30.2 | -178 | -67.5 | -172.9 | -177.8 | -98.8 | -1.2 | 113.3 | W446 D476 E478 | W446-R480 HydrophobicContact CZ2-CB 4.44Å; W446-R480 HydrophobicContact CZ2-CG 3.87Å; D476-R480 PolarHBondContact OD1-N 3.26Å; D476-R480 VanDerWaalsContact OD1-N 3.1Å; D476-R480 PolarHBondContact OD2-N 2.74Å; E478-R480 VanDerWaalsContact C-N 3.29Å; E478-R480 HydrophobicContact CB-CG 3.92Å; E478-R480 PolarHBondContact O-N 2.83Å; E478-R480 IonicContact OE2-CZ 3.14Å; E478-R480 IonicContact OE2-NE 2.78Å; E478-R480 PolarHBondContact OE2-NE 2.97Å; E478-R480 IonicContact OE2-NH2 2.73Å; E478-R480 PolarHBondContact OE2-NH2 3.37Å | ||
| 481 | N | 94.6 | Very high | 96 | Very high | 105 Ų | 105 | 57.6 Ų | 57.6 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | trans | -114 | 94.2 | -170.7 | -58.3 | -68.1 | 0 | 0 | 0 | 110.1 | F471 D476 | F471-N481 WeakPolarHBondContact CD1-O 3.37Å; D476-N481 WeakPolarHBondContact OD2-CB 3.45Å; D476-N481 PolarHBondContact OD2-N 2.78Å | ||
| 482 | E | 93.7 | Very high | 95.8 | Very high | 42 Ų | 42 | 59.5 Ų | 59.5 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | trans | -75.9 | 124.1 | 176.4 | -163.9 | -69 | 124.3 | 0 | 0 | 110.3 | K466 M469 L470 F471 S484 | K466-E482 WeakPolarHBondContact CD-OE2 3.34Å; K466-E482 IonicContact NZ-OE2 2.66Å; K466-E482 PolarHBondContact NZ-OE2 3.3Å; M469-E482 HydrophobicContact CB-CG 3.92Å; M469-E482 HydrophobicContact CG-CG 3.98Å; L470-E482 PolarHBondContact N-OE1 3.22Å; L470-E482 VanDerWaalsContact N-OE1 3.1Å; F471-E482 HydrophobicContact CE1-CB 3.82Å; F471-E482 HydrophobicContact CE1-CG 4.27Å; F471-E482 HydrophobicContact CZ-CB 4.01Å; F471-E482 HydrophobicContact CZ-CG 4Å; E482-S484 VanDerWaalsContact CD-OG 3.27Å; E482-S484 WeakPolarHBondContact OE1-CA 3.29Å; E482-S484 WeakPolarHBondContact OE1-CB 3.32Å; E482-S484 PolarHBondContact OE1-N 3.44Å; E482-S484 PolarHBondContact OE1-OG 3.09Å; E482-S484 PolarHBondContact OE2-OG 3.43Å | ||
| 483 | V | 96.4 | Very high | 95.7 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 13% | 0.127 | 32% | 0.319 | C | S | . | . | trans | -126.8 | 15 | -168.8 | -64.3 | 0 | 0 | 0 | 0 | 115.1 | W434 L470 A485 Q486 F487 | W434-V483 HydrophobicContact CZ3-CG2 3.86Å; L470-V483 HydrophobicContact CD2-CG2 4.46Å; L470-V483 HydrophobicContact CG-CG2 4.43Å; L470-V483 WeakPolarHBondContact O-CG2 3.39Å; L470-V483 PolarHBondContact O-N 2.88Å; V483-A485 VanDerWaalsContact C-N 3.27Å; V483-A485 PolarHBondContact O-N 3.46Å; V483-Q486 HydrophobicContact CB-CB 4.44Å; V483-Q486 WeakPolarHBondContact O-CB 3.28Å; V483-Q486 PolarHBondContact O-N 2.81Å; V483-F487 HydrophobicContact CB-CD2 3.85Å; V483-F487 HydrophobicContact CB-CE2 3.99Å; V483-F487 HydrophobicContact CG2-CD2 3.81Å; V483-F487 HydrophobicContact CG2-CE2 4.08Å; V483-F487 PolarHBondContact O-N 2.93Å | ||
| 484 | S | 94.4 | Very high | 95.7 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -40.3 | -178.5 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | E482 Q486 F487 | E482-S484 VanDerWaalsContact CD-OG 3.27Å; E482-S484 WeakPolarHBondContact OE1-CA 3.29Å; E482-S484 WeakPolarHBondContact OE1-CB 3.32Å; E482-S484 PolarHBondContact OE1-N 3.44Å; E482-S484 PolarHBondContact OE1-OG 3.09Å; E482-S484 PolarHBondContact OE2-OG 3.43Å; S484-Q486 PolarHBondContact O-N 3.36Å; S484-F487 CarbonylContact O-C 3.58Å; S484-F487 PolarHBondContact O-N 3.12Å |
| 485 | A | 92.9 | Very high | 95.8 | Very high | 76 Ų | 76 | 57.8 Ų | 57.8 | 63% | 0.628 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -24.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V483 | V483-A485 VanDerWaalsContact C-N 3.27Å; V483-A485 PolarHBondContact O-N 3.46Å |
| 486 | Q | 96.4 | Very high | 95.8 | Very high | 135 Ų | 135 | 53 Ų | 53 | 63% | 0.631 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -27.6 | -179.2 | -57.5 | 176.4 | 30.4 | 0 | 0 | 111.9 | V483 S484 P488 | V483-Q486 HydrophobicContact CB-CB 4.44Å; V483-Q486 WeakPolarHBondContact O-CB 3.28Å; V483-Q486 PolarHBondContact O-N 2.81Å; S484-Q486 PolarHBondContact O-N 3.36Å; Q486-P488 VanDerWaalsContact C-CD 3.42Å; Q486-P488 WeakPolarHBondContact O-CD 3.28Å |
| 487 | F | 96.6 | Very high | 95.8 | Very high | 80 Ų | 80 | 55.3 Ų | 55.3 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | trans | -126.1 | 61.1 | -176.3 | -58.3 | -83.4 | 0 | 0 | 0 | 112.1 | W434 L470 V483 S484 D489 V490 V491 | W434-F487 AromaticContact CH2-CD1 3.96Å; W434-F487 HydrophobicContact CH2-CD1 3.96Å; W434-F487 AromaticContact CH2-CD2 3.72Å; W434-F487 HydrophobicContact CH2-CD2 3.72Å; W434-F487 HydrophobicContact CH2-CE1 4.02Å; W434-F487 AromaticContact CH2-CE2 3.8Å; W434-F487 HydrophobicContact CH2-CE2 3.8Å; W434-F487 AromaticContact CH2-CG 3.81Å; W434-F487 HydrophobicContact CH2-CG 3.81Å; W434-F487 AromaticContact CH2-CZ 3.95Å; W434-F487 HydrophobicContact CH2-CZ 3.95Å; W434-F487 HydrophobicContact CZ2-CD1 4.29Å; W434-F487 HydrophobicContact CZ2-CE1 4.41Å; W434-F487 HydrophobicContact CZ2-CG 4.47Å; W434-F487 HydrophobicContact CZ3-CD2 4.01Å; W434-F487 HydrophobicContact CZ3-CE2 4.32Å; W434-F487 HydrophobicContact CZ3-CG 4.31Å; L470-F487 HydrophobicContact CD2-CB 3.85Å; V483-F487 HydrophobicContact CB-CD2 3.85Å; V483-F487 HydrophobicContact CB-CE2 3.99Å; V483-F487 HydrophobicContact CG2-CD2 3.81Å; V483-F487 HydrophobicContact CG2-CE2 4.08Å; V483-F487 PolarHBondContact O-N 2.93Å; S484-F487 CarbonylContact O-C 3.58Å; S484-F487 PolarHBondContact O-N 3.12Å; F487-D489 VanDerWaalsContact C-N 3.29Å; F487-D489 PolarHBondContact O-N 3.13Å; F487-V490 HydrophobicContact CB-CB 4.06Å; F487-V490 HydrophobicContact CB-CG2 3.95Å; F487-V490 PolarHBondContact O-N 3.48Å; F487-V490 VanDerWaalsContact O-N 3.13Å; F487-V491 PolarHBondContact O-N 2.56Å | ||
| 488 | P | 94.3 | Very high | 95.8 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.2 | -36.8 | -177 | 25.3 | -34.7 | 0 | 0 | 0 | 112.8 | Q486 V490 V491 D492 | Q486-P488 VanDerWaalsContact C-CD 3.42Å; Q486-P488 WeakPolarHBondContact O-CD 3.28Å; P488-V490 VanDerWaalsContact C-N 3.26Å; P488-V490 PolarHBondContact O-N 2.99Å; P488-V491 WeakPolarHBondContact O-CB 3.14Å; P488-V491 PolarHBondContact O-N 2.68Å; P488-V491 VanDerWaalsContact O-N 3.17Å; P488-D492 PolarHBondContact O-N 2.98Å |
| 489 | D | 95.3 | Very high | 95.8 | Very high | 130 Ų | 130 | 52.6 Ų | 52.6 | 70% | 0.695 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.3 | -31.5 | 179.6 | -56.8 | -30.2 | 0 | 0 | 0 | 112.3 | F487 Y493 | F487-D489 VanDerWaalsContact C-N 3.29Å; F487-D489 PolarHBondContact O-N 3.13Å; D489-Y493 WeakPolarHBondContact O-CB 3.5Å; D489-Y493 PolarHBondContact O-N 3.11Å |
| 490 | V | 96.8 | Very high | 95.8 | Very high | 32 Ų | 32 | 56.4 Ų | 56.4 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72 | -41.7 | 175.1 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | W434 L470 F487 P488 D492 Y493 L494 | W434-V490 HydrophobicContact CB-CG1 4.03Å; W434-V490 HydrophobicContact CD2-CG1 3.81Å; W434-V490 HydrophobicContact CE3-CG1 4.33Å; W434-V490 HydrophobicContact CG-CG1 3.64Å; W434-V490 HydrophobicContact CZ2-CG2 4.48Å; L470-V490 HydrophobicContact CD1-CG1 4.03Å; L470-V490 HydrophobicContact CD2-CB 4Å; L470-V490 HydrophobicContact CD2-CG1 3.88Å; F487-V490 HydrophobicContact CB-CB 4.06Å; F487-V490 HydrophobicContact CB-CG2 3.95Å; F487-V490 PolarHBondContact O-N 3.48Å; F487-V490 VanDerWaalsContact O-N 3.13Å; P488-V490 VanDerWaalsContact C-N 3.26Å; P488-V490 PolarHBondContact O-N 2.99Å; V490-D492 VanDerWaalsContact C-N 3.35Å; V490-Y493 PolarHBondContact O-N 3.04Å; V490-L494 HydrophobicContact CG1-CD1 4.04Å; V490-L494 HydrophobicContact CG1-CG 4.49Å; V490-L494 WeakPolarHBondContact O-CB 3.31Å; V490-L494 WeakPolarHBondContact O-CG 3.41Å; V490-L494 PolarHBondContact O-N 2.73Å |
| 491 | V | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 173.4 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | L436 I468 L470 F487 P488 Y493 L494 L495 | L436-V491 HydrophobicContact CD1-CG1 4.2Å; L436-V491 HydrophobicContact CD1-CG2 4.26Å; I468-V491 HydrophobicContact CG2-CG1 3.84Å; L470-V491 HydrophobicContact CB-CG2 4.18Å; L470-V491 HydrophobicContact CD2-CG2 3.89Å; L470-V491 HydrophobicContact CG-CG2 4.5Å; F487-V491 PolarHBondContact O-N 2.56Å; P488-V491 WeakPolarHBondContact O-CB 3.14Å; P488-V491 PolarHBondContact O-N 2.68Å; P488-V491 VanDerWaalsContact O-N 3.17Å; V491-Y493 VanDerWaalsContact C-N 3.34Å; V491-Y493 PolarHBondContact O-N 2.73Å; V491-L494 PolarHBondContact O-N 2.66Å; V491-L495 HydrophobicContact CG1-CD1 3.74Å; V491-L495 HydrophobicContact CG1-CG 4.17Å; V491-L495 WeakPolarHBondContact O-CB 3.34Å; V491-L495 WeakPolarHBondContact O-CG 3.49Å; V491-L495 PolarHBondContact O-N 3.05Å |
| 492 | D | 93.9 | Very high | 96.1 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 22% | 0.219 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | -177.8 | -66.5 | -2.2 | 0 | 0 | 0 | 111.6 | F419 P488 V490 T496 | F419-D492 HydrophobicContact CE1-CB 3.9Å; F419-D492 VanDerWaalsContact CE2-OD1 3.29Å; F419-D492 WeakPolarHBondContact CE2-OD1 3.21Å; F419-D492 HydrophobicContact CZ-CB 3.89Å; F419-D492 WeakPolarHBondContact CZ-OD1 3.47Å; F419-D492 WeakPolarHBondContact CZ-OD2 3.28Å; P488-D492 PolarHBondContact O-N 2.98Å; V490-D492 VanDerWaalsContact C-N 3.35Å; D492-T496 WeakPolarHBondContact O-CB 3.29Å; D492-T496 PolarHBondContact O-N 2.81Å; D492-T496 PolarHBondContact O-OG1 2.86Å |
| 493 | Y | 96.1 | Very high | 96.3 | Very high | 115 Ų | 115 | 54.8 Ų | 54.8 | 45% | 0.451 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.4 | -52.6 | 172.9 | 173.1 | -101.1 | 0 | 0 | 0 | 111.4 | D489 V490 V491 L495 T496 R497 | D489-Y493 WeakPolarHBondContact O-CB 3.5Å; D489-Y493 PolarHBondContact O-N 3.11Å; V490-Y493 PolarHBondContact O-N 3.04Å; V491-Y493 VanDerWaalsContact C-N 3.34Å; V491-Y493 PolarHBondContact O-N 2.73Å; Y493-L495 PolarHBondContact O-N 2.84Å; Y493-T496 WeakPolarHBondContact O-CB 3.48Å; Y493-T496 PolarHBondContact O-N 3.44Å; Y493-T496 VanDerWaalsContact O-N 3.14Å; Y493-R497 HydrophobicContact CD1-CG 4.34Å; Y493-R497 HydrophobicContact CE1-CG 3.88Å; Y493-R497 HydrophobicContact CE2-CG 4.11Å; Y493-R497 WeakPolarHBondContact O-CG 3.38Å; Y493-R497 PolarHBondContact O-N 3.38Å |
| 494 | L | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.8 | -33.9 | -176.4 | -71.7 | 178.3 | 0 | 0 | 0 | 113.1 | I429 W434 L436 L470 V490 V491 T496 R497 L498 | I429-L494 HydrophobicContact CG2-CB 4.05Å; I429-L494 HydrophobicContact CG2-CD2 4.05Å; I429-L494 HydrophobicContact CG2-CG 4.49Å; W434-L494 HydrophobicContact CB-CD1 3.96Å; L436-L494 HydrophobicContact CB-CB 3.94Å; L436-L494 HydrophobicContact CB-CD1 3.69Å; L436-L494 HydrophobicContact CB-CG 4.43Å; L436-L494 HydrophobicContact CD2-CB 3.67Å; L436-L494 HydrophobicContact CG-CB 4.33Å; L470-L494 HydrophobicContact CD1-CD1 3.71Å; V490-L494 HydrophobicContact CG1-CD1 4.04Å; V490-L494 HydrophobicContact CG1-CG 4.49Å; V490-L494 WeakPolarHBondContact O-CB 3.31Å; V490-L494 WeakPolarHBondContact O-CG 3.41Å; V490-L494 PolarHBondContact O-N 2.73Å; V491-L494 PolarHBondContact O-N 2.66Å; L494-T496 VanDerWaalsContact C-N 3.35Å; L494-R497 PolarHBondContact O-N 2.79Å; L494-L498 PolarHBondContact O-N 3.26Å |
| 495 | L | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 171.3 | -73.9 | 175.2 | 0 | 0 | 0 | 111.8 | F419 F421 V423 L436 T438 I468 V491 Y493 R497 L498 Q499 | F419-L495 HydrophobicContact CB-CD1 4.44Å; F419-L495 HydrophobicContact CD2-CD1 3.86Å; F419-L495 HydrophobicContact CE2-CD1 4.49Å; F419-L495 HydrophobicContact CG-CD1 4.17Å; F421-L495 HydrophobicContact CD1-CD2 4.17Å; V423-L495 HydrophobicContact CG1-CD1 4.34Å; V423-L495 HydrophobicContact CG1-CD2 3.75Å; L436-L495 HydrophobicContact CD2-CD2 3.78Å; L436-L495 HydrophobicContact CD2-CG 3.91Å; T438-L495 HydrophobicContact CG2-CD2 3.91Å; I468-L495 HydrophobicContact CD1-CD1 4.31Å; V491-L495 HydrophobicContact CG1-CD1 3.74Å; V491-L495 HydrophobicContact CG1-CG 4.17Å; V491-L495 WeakPolarHBondContact O-CB 3.34Å; V491-L495 WeakPolarHBondContact O-CG 3.49Å; V491-L495 PolarHBondContact O-N 3.05Å; Y493-L495 PolarHBondContact O-N 2.84Å; L495-R497 VanDerWaalsContact C-N 3.34Å; L495-L498 HydrophobicContact CD2-CD1 4.44Å; L495-L498 PolarHBondContact O-N 2.02Å; L495-Q499 PolarHBondContact O-N 3.49Å |
| 496 | T | 96.3 | Very high | 96.8 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 41% | 0.405 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 173.8 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | D492 Y493 L494 Q499 E500 | D492-T496 WeakPolarHBondContact O-CB 3.29Å; D492-T496 PolarHBondContact O-N 2.81Å; D492-T496 PolarHBondContact O-OG1 2.86Å; Y493-T496 WeakPolarHBondContact O-CB 3.48Å; Y493-T496 PolarHBondContact O-N 3.44Å; Y493-T496 VanDerWaalsContact O-N 3.14Å; L494-T496 VanDerWaalsContact C-N 3.35Å; T496-Q499 WeakPolarHBondContact O-CB 3.34Å; T496-Q499 PolarHBondContact O-N 3.04Å; T496-E500 WeakPolarHBondContact O-CG 3.3Å; T496-E500 PolarHBondContact O-N 3.19Å |
| 497 | R | 97.7 | Very high | 96.8 | Very high | 67 Ų | 67 | 57.7 Ų | 57.7 | 25% | 0.253 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.5 | -64.3 | -58.3 | -60.3 | 151.8 | 3.5 | 112.3 | E374 I429 Y493 L494 L495 Q499 E500 H501 | E374-R497 IonicContact OE1-CZ 3.79Å; E374-R497 IonicContact OE1-NE 3.73Å; E374-R497 PolarHBondContact OE1-NE 2.87Å; E374-R497 IonicContact OE1-NH2 2.95Å; E374-R497 PolarHBondContact OE1-NH2 3.35Å; E374-R497 WeakPolarHBondContact OE2-CG 3.48Å; E374-R497 IonicContact OE2-CZ 3.97Å; E374-R497 IonicContact OE2-NE 2.71Å; E374-R497 PolarHBondContact OE2-NE 2.96Å; E374-R497 IonicContact OE2-NH2 2.72Å; I429-R497 HydrophobicContact CD1-CB 3.59Å; Y493-R497 HydrophobicContact CD1-CG 4.34Å; Y493-R497 HydrophobicContact CE1-CG 3.88Å; Y493-R497 HydrophobicContact CE2-CG 4.11Å; Y493-R497 WeakPolarHBondContact O-CG 3.38Å; Y493-R497 PolarHBondContact O-N 3.38Å; L494-R497 PolarHBondContact O-N 2.79Å; L495-R497 VanDerWaalsContact C-N 3.34Å; R497-Q499 VanDerWaalsContact C-N 3.32Å; R497-Q499 PolarHBondContact O-N 3.39Å; R497-E500 WeakPolarHBondContact CD-OE2 3.48Å; R497-E500 IonicContact CZ-OE2 3.87Å; R497-E500 IonicContact NE-OE2 3.37Å; R497-E500 IonicContact NH1-OE2 3.01Å; R497-E500 PolarHBondContact NH1-OE2 3.42Å; R497-E500 PolarHBondContact O-N 3.01Å; R497-H501 PolarHBondContact O-CD2 3.32Å; R497-H501 PolarHBondContact O-N 3.31Å |
| 498 | L | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 172.5 | -79.1 | 175.3 | 0 | 0 | 0 | 112 | L376 I379 F421 A427 I429 L436 T438 L494 L495 E500 H501 Q502 | L376-L498 HydrophobicContact CD1-CD2 3.65Å; I379-L498 HydrophobicContact CD1-CD2 4.33Å; I379-L498 HydrophobicContact CG1-CD2 4.3Å; F421-L498 HydrophobicContact CD1-CB 4.25Å; F421-L498 HydrophobicContact CD1-CD1 4.18Å; F421-L498 HydrophobicContact CD2-CB 3.77Å; F421-L498 HydrophobicContact CE1-CB 4.34Å; F421-L498 HydrophobicContact CE1-CD1 3.9Å; F421-L498 HydrophobicContact CE2-CB 3.87Å; F421-L498 HydrophobicContact CG-CB 3.97Å; F421-L498 HydrophobicContact CZ-CB 4.16Å; F421-L498 HydrophobicContact CZ-CD1 4.2Å; A427-L498 HydrophobicContact CB-CD1 4.4Å; A427-L498 HydrophobicContact CB-CD2 4.1Å; I429-L498 HydrophobicContact CB-CD2 3.82Å; I429-L498 HydrophobicContact CB-CG 4.14Å; I429-L498 HydrophobicContact CG2-CD1 4.14Å; I429-L498 HydrophobicContact CG2-CD2 3.99Å; I429-L498 HydrophobicContact CG2-CG 3.75Å; L436-L498 HydrophobicContact CD2-CD1 3.96Å; T438-L498 HydrophobicContact CG2-CD1 4.13Å; L494-L498 PolarHBondContact O-N 3.26Å; L495-L498 HydrophobicContact CD2-CD1 4.44Å; L495-L498 PolarHBondContact O-N 2.02Å; L498-E500 VanDerWaalsContact C-N 3.31Å; L498-E500 PolarHBondContact O-N 2.74Å; L498-H501 PolarHBondContact O-N 2.74Å; L498-Q502 WeakPolarHBondContact O-CB 3.23Å; L498-Q502 PolarHBondContact O-N 3.46Å |
| 499 | Q | 96.7 | Very high | 97.1 | Very high | 34 Ų | 34 | 58.6 Ų | 58.6 | 16% | 0.159 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62 | -38.4 | 176 | -178.8 | 55.2 | 68 | 0 | 0 | 112.5 | G420 F421 L495 T496 R497 Q502 K503 | G420-Q499 PolarHBondContact O-OE1 2.95Å; F421-Q499 VanDerWaalsContact CA-OE1 3.29Å; F421-Q499 HydrophobicContact CB-CB 4.13Å; L495-Q499 PolarHBondContact O-N 3.49Å; T496-Q499 WeakPolarHBondContact O-CB 3.34Å; T496-Q499 PolarHBondContact O-N 3.04Å; R497-Q499 VanDerWaalsContact C-N 3.32Å; R497-Q499 PolarHBondContact O-N 3.39Å; Q499-Q502 PolarHBondContact O-N 2.92Å; Q499-K503 WeakPolarHBondContact O-CG 3.39Å; Q499-K503 PolarHBondContact O-N 3.18Å; Q499-K503 VanDerWaalsContact O-N 3.1Å |
| 500 | E | 97 | Very high | 97.1 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 178.2 | -72 | 171.5 | 152 | 0 | 0 | 111.6 | T496 R497 L498 K503 | T496-E500 WeakPolarHBondContact O-CG 3.3Å; T496-E500 PolarHBondContact O-N 3.19Å; R497-E500 WeakPolarHBondContact CD-OE2 3.48Å; R497-E500 IonicContact CZ-OE2 3.87Å; R497-E500 IonicContact NE-OE2 3.37Å; R497-E500 IonicContact NH1-OE2 3.01Å; R497-E500 PolarHBondContact NH1-OE2 3.42Å; R497-E500 PolarHBondContact O-N 3.01Å; L498-E500 VanDerWaalsContact C-N 3.31Å; L498-E500 PolarHBondContact O-N 2.74Å; E500-K503 PolarHBondContact O-N 2.91Å |
| 501 | H | 98.2 | Very high | 97.2 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 11% | 0.111 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 171.2 | -77.4 | -64.1 | 0 | 0 | 0 | 112.2 | I89 E374 L376 I379 R497 L498 K503 T504 A505 | I89-H501 HydrophobicContact CD1-CB 4.11Å; E374-H501 IonicContact OE1-CD2 3.77Å; E374-H501 IonicContact OE1-CE1 3.18Å; E374-H501 IonicContact OE1-NE2 3.75Å; E374-H501 PolarHBondContact OE1-NE2 3.19Å; L376-H501 HydrophobicContact CD1-CB 4.36Å; L376-H501 HydrophobicContact CD2-CB 3.89Å; I379-H501 HydrophobicContact CD1-CB 4Å; R497-H501 PolarHBondContact O-CD2 3.32Å; R497-H501 PolarHBondContact O-N 3.31Å; L498-H501 PolarHBondContact O-N 2.74Å; H501-K503 VanDerWaalsContact C-N 3.26Å; H501-K503 PolarHBondContact O-N 3.4Å; H501-T504 PolarHBondContact O-N 3Å; H501-T504 VanDerWaalsContact O-N 3.17Å; H501-T504 PolarHBondContact O-OG1 2.85Å; H501-A505 PolarHBondContact O-N 3.34Å |
| 502 | Q | 97.4 | Very high | 97.2 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 27% | 0.271 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.3 | -32.5 | 178.3 | -167.5 | 177.8 | 19.1 | 0 | 0 | 112.4 | I379 F421 L498 Q499 T504 A505 | I379-Q502 HydrophobicContact CD1-CB 4.05Å; F421-Q502 HydrophobicContact CD2-CB 4.42Å; F421-Q502 HydrophobicContact CE2-CB 4.28Å; L498-Q502 WeakPolarHBondContact O-CB 3.23Å; L498-Q502 PolarHBondContact O-N 3.46Å; Q499-Q502 PolarHBondContact O-N 2.92Å; Q502-T504 VanDerWaalsContact C-N 3.26Å; Q502-T504 PolarHBondContact O-N 3.36Å; Q502-A505 WeakPolarHBondContact O-CB 3.45Å; Q502-A505 PolarHBondContact O-N 3.12Å |
| 503 | K | 96.9 | Very high | 97.4 | Very high | 155 Ų | 155 | 62.1 Ų | 62.1 | 67% | 0.674 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.3 | -24.9 | 177.5 | -75.7 | 167 | -178.8 | 171.3 | 0 | 113.1 | Q499 E500 H501 | Q499-K503 WeakPolarHBondContact O-CG 3.39Å; Q499-K503 PolarHBondContact O-N 3.18Å; Q499-K503 VanDerWaalsContact O-N 3.1Å; E500-K503 PolarHBondContact O-N 2.91Å; H501-K503 VanDerWaalsContact C-N 3.26Å; H501-K503 PolarHBondContact O-N 3.4Å |
| 504 | T | 97.4 | Very high | 97.5 | Very high | 78 Ų | 78 | 58.2 Ų | 58.2 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -95.9 | -5 | 177.7 | 65.6 | 0 | 0 | 0 | 0 | 112.8 | H90 H501 Q502 | H90-T504 PolarHBondContact NE2-OG1 2.91Å; H501-T504 PolarHBondContact O-N 3Å; H501-T504 VanDerWaalsContact O-N 3.17Å; H501-T504 PolarHBondContact O-OG1 2.85Å; Q502-T504 VanDerWaalsContact C-N 3.26Å; Q502-T504 PolarHBondContact O-N 3.36Å |
| 505 | A | 98 | Very high | 97.5 | Very high | 33 Ų | 33 | 60.8 Ų | 60.8 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 132 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I89 H501 Q502 | I89-A505 HydrophobicContact CB-CB 3.84Å; I89-A505 HydrophobicContact CG2-CB 4.24Å; I89-A505 CarbonylContact O-C 3.58Å; I89-A505 WeakPolarHBondContact O-CA 3.05Å; H501-A505 PolarHBondContact O-N 3.34Å; Q502-A505 WeakPolarHBondContact O-CB 3.45Å; Q502-A505 PolarHBondContact O-N 3.12Å |
| 506 | L | 98.2 | Very high | 97.5 | Very high | 83 Ų | 83 | 67.1 Ų | 67.1 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 153.7 | 163.8 | -64.1 | -178 | 0 | 0 | 0 | 110.1 | I89 H90 Q94 | I89-L506 PolarHBondContact O-N 3.11Å; H90-L506 VanDerWaalsContact O-CD1 3.29Å; H90-L506 WeakPolarHBondContact O-CD1 3.18Å; Q94-L506 PolarHBondContact NE2-O 2.77Å |
| 507 | P | 97.9 | Very high | 97.6 | Very high | 112 Ų | 112 | 64.3 Ų | 64.3 | 73% | 0.727 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 146 | 168.7 | -23.5 | 34 | 0 | 0 | 0 | 111.6 | G92 N509 | G92-P507 WeakPolarHBondContact CA-O 3.27Å; P507-N509 PolarHBondContact O-N 3.44Å |
| 508 | I | 97.9 | Very high | 97.6 | Very high | 43 Ų | 43 | 63.1 Ų | 63.1 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 126.8 | 171.2 | -68.6 | 167 | 0 | 0 | 0 | 108.6 | Q94 H95 P381 L382 | Q94-I508 HydrophobicContact CB-CG1 4.12Å; Q94-I508 HydrophobicContact CG-CG1 4.41Å; H95-I508 HydrophobicContact CB-CD1 4.31Å; H95-I508 HydrophobicContact CB-CG2 3.67Å; P381-I508 HydrophobicContact CG-CD1 3.73Å; L382-I508 HydrophobicContact CB-CD1 4.49Å; L382-I508 HydrophobicContact CD1-CD1 3.94Å; L382-I508 HydrophobicContact CD1-CG2 4.15Å; L382-I508 HydrophobicContact CG-CD1 3.9Å |
| 509 | N | 97.4 | Very high | 97.5 | Very high | 78 Ų | 78 | 64.8 Ų | 64.8 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | trans | -102.2 | 99.5 | 170 | -176.6 | 22.8 | 0 | 0 | 0 | 108.9 | G92 Y104 P507 | G92-N509 PolarHBondContact O-N 3.21Å; Y104-N509 WeakPolarHBondContact CE2-O 3.45Å; P507-N509 PolarHBondContact O-N 3.44Å | ||
| 510 | Y | 97.1 | Very high | 97.4 | Very high | 66 Ų | 66 | 63.9 Ų | 63.9 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | trans | -138.7 | 76.1 | -179.9 | -167 | -101.3 | 0 | 0 | 0 | 109.1 | H95 Q96 W99 Q102 | H95-Y510 HydrophobicContact CB-CD2 4.49Å; H95-Y510 AromaticContact CD2-CD1 3.75Å; H95-Y510 AromaticContact CD2-CD2 3.81Å; H95-Y510 AromaticContact CD2-CE1 3.88Å; H95-Y510 AromaticContact CD2-CE2 3.95Å; H95-Y510 AromaticContact CD2-CG 3.7Å; H95-Y510 AromaticContact CD2-CZ 3.97Å; Q96-Y510 HydrophobicContact CB-CE2 3.94Å; Q96-Y510 VanDerWaalsContact CD-OH 3.25Å; Q96-Y510 HydrophobicContact CG-CE2 4.48Å; Q96-Y510 PolarHBondContact NE2-OH 2.69Å; Q96-Y510 PolarHBondContact OE1-OH 3.39Å; W99-Y510 AromaticContact CD1-CZ 3.93Å; W99-Y510 AromaticContact NE1-CZ 3.96Å; W99-Y510 PolarHBondContact NE1-OH 3.2Å; Q102-Y510 VanDerWaalsContact NE2-CE2 3.32Å | ||
| 511 | P | 97.6 | Very high | 96.9 | Very high | 33 Ų | 33 | 65 Ų | 65 | 21% | 0.214 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 156.2 | -176.5 | 30.6 | -35 | 0 | 0 | 0 | 111.3 | Q102 P103 Y104 | Q102-P511 HydrophobicContact CB-CG 4.33Å; Q102-P511 WeakPolarHBondContact CG-O 3.34Å; Q102-P511 PolarHBondContact NE2-O 3.23Å; P103-P511 HydrophobicContact CG-CB 4.14Å; P103-P511 HydrophobicContact CG-CG 4.11Å; Y104-P511 HydrophobicContact CD1-CG 3.74Å; Y104-P511 HydrophobicContact CE1-CG 4.46Å; Y104-P511 HydrophobicContact CG-CG 4.13Å |
| 512 | D | 97.4 | Very high | 96.4 | Very high | 147 Ų | 147 | 70.6 Ų | 70.6 | 79% | 0.786 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 163.1 | 168.8 | -63.6 | -38.3 | 0 | 0 | 0 | 111.1 | P103 D514 | P103-D512 VanDerWaalsContact CD-O 3.26Å; P103-D512 WeakPolarHBondContact CD-O 3.46Å; D512-D514 PolarHBondContact O-N 2.8Å |
| 513 | D | 97.5 | Very high | 96.2 | Very high | 31 Ų | 31 | 69.1 Ų | 69.1 | 17% | 0.166 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 133 | 175 | -75.7 | -18.4 | 0 | 0 | 0 | 111.6 | C101 Y166 P170 | C101-D513 HydrophobicContact CB-CB 3.76Å; C101-D513 WeakPolarHBondContact CB-OD1 3.49Å; Y166-D513 VanDerWaalsContact CE1-OD2 3.27Å; Y166-D513 WeakPolarHBondContact CE1-OD2 3.5Å; Y166-D513 PolarHBondContact OH-OD1 3.43Å; Y166-D513 PolarHBondContact OH-OD2 3.06Å; P170-D513 HydrophobicContact CG-CB 4.29Å |
| 514 | D | 98.1 | Very high | 96.2 | Very high | 33 Ų | 33 | 62.7 Ų | 62.7 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 116.2 | 170.8 | -177.6 | -6.8 | 0 | 0 | 0 | 109.3 | C101 P103 D512 Q516 C517 W528 | C101-D514 PolarHBondContact O-N 3.38Å; P103-D514 HydrophobicContact CB-CB 4.29Å; P103-D514 HydrophobicContact CG-CB 4.16Å; D512-D514 PolarHBondContact O-N 2.8Å; D514-Q516 PolarHBondContact O-N 2.79Å; D514-Q516 WeakPolarHBondContact OD1-CB 3Å; D514-Q516 PolarHBondContact OD1-N 2.71Å; D514-Q516 PolarHBondContact OD1-NE2 3.28Å; D514-Q516 PolarHBondContact OD2-NE2 2.82Å; D514-C517 VanDerWaalsContact O-CB 3.25Å; D514-C517 WeakPolarHBondContact O-CB 3.38Å; D514-C517 PolarHBondContact O-N 2.84Å; D514-C517 PolarHBondContact O-SG 3.36Å; D514-W528 HydrophobicContact CB-CZ2 4.29Å; D514-W528 PolarHBondContact OD2-NE1 3.19Å |
| 515 | P | 97.4 | Very high | 96.3 | Very high | 55 Ų | 55 | 59 Ų | 59 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -60.4 | -17.6 | -179 | 22.6 | -32.2 | 0 | 0 | 0 | 114.1 | P170 L171 C517 D518 | P170-P515 HydrophobicContact CB-CB 4.12Å; P170-P515 HydrophobicContact CB-CG 4.24Å; L171-P515 HydrophobicContact CD1-CB 4.35Å; L171-P515 HydrophobicContact CD2-CB 3.85Å; L171-P515 HydrophobicContact CG-CB 3.92Å; P515-C517 PolarHBondContact O-N 3.28Å; P515-D518 PolarHBondContact O-N 3.22Å |
| 516 | Q | 97.9 | Very high | 96.3 | Very high | 135 Ų | 135 | 57.9 Ų | 57.9 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -66.4 | -10.4 | 173.3 | -67.9 | 172.5 | 88 | 0 | 0 | 113.2 | D514 D518 W528 | D514-Q516 PolarHBondContact O-N 2.79Å; D514-Q516 WeakPolarHBondContact OD1-CB 3Å; D514-Q516 PolarHBondContact OD1-N 2.71Å; D514-Q516 PolarHBondContact OD1-NE2 3.28Å; D514-Q516 PolarHBondContact OD2-NE2 2.82Å; Q516-D518 PolarHBondContact O-N 2.81Å; Q516-W528 HydrophobicContact CB-CG 4.25Å; Q516-W528 WeakPolarHBondContact O-CB 3.17Å |
| 517 | C | 97.8 | Very high | 96.3 | Very high | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -61.9 | -20 | 171.2 | 71.1 | 0 | 0 | 0 | 0 | 113.6 | C101 D514 P515 P519 W525 W528 | C101-C517 HydrophobicContact CB-CB 3.59Å; C101-C517 WeakPolarHBondContact CB-SG 3.33Å; C101-C517 WeakPolarHBondContact SG-CB 3.49Å; C101-C517 CovalentContact SG-SG 2.03Å; C101-C517 PolarHBondContact SG-SG 3.41Å; D514-C517 VanDerWaalsContact O-CB 3.25Å; D514-C517 WeakPolarHBondContact O-CB 3.38Å; D514-C517 PolarHBondContact O-N 2.84Å; D514-C517 PolarHBondContact O-SG 3.36Å; P515-C517 PolarHBondContact O-N 3.28Å; C517-P519 WeakPolarHBondContact O-CD 3.39Å; C517-P519 VanDerWaalsContact O-N 3.11Å; C517-W525 HydrophobicContact CB-CZ3 4.27Å; C517-W525 WeakPolarHBondContact O-CZ3 3.45Å; C517-W528 HydrophobicContact CB-CD2 4.12Å; C517-W528 HydrophobicContact CB-CE3 3.91Å; C517-W528 HydrophobicContact CB-CH2 3.83Å; C517-W528 HydrophobicContact CB-CZ2 3.99Å; C517-W528 HydrophobicContact CB-CZ3 3.77Å |
| 518 | D | 97.8 | Very high | 96.3 | Very high | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | trans | -63.2 | 108.6 | -173.6 | -174.5 | 3.6 | 0 | 0 | 0 | 111.4 | I168 L171 R175 P515 Q516 G520 | I168-D518 HydrophobicContact CD1-CB 3.7Å; L171-D518 HydrophobicContact CD1-CB 3.86Å; R175-D518 IonicContact CZ-OD1 2.74Å; R175-D518 VanDerWaalsContact CZ-OD1 3.32Å; R175-D518 IonicContact CZ-OD2 3.27Å; R175-D518 IonicContact NE-OD1 2.8Å; R175-D518 PolarHBondContact NE-OD1 3.02Å; R175-D518 IonicContact NE-OD2 2.89Å; R175-D518 IonicContact NH2-OD1 3.6Å; R175-D518 PolarHBondContact NH2-OD1 3Å; R175-D518 IonicContact NH2-OD2 3.11Å; R175-D518 PolarHBondContact NH2-OD2 2.9Å; P515-D518 PolarHBondContact O-N 3.22Å; Q516-D518 PolarHBondContact O-N 2.81Å; D518-G520 PolarHBondContact O-N 3.03Å; D518-G520 VanDerWaalsContact O-N 3.15Å; D518-G520 PolarHBondContact OD1-N 3.43Å | ||
| 519 | P | 95.4 | Very high | 96.1 | Very high | 34 Ų | 34 | 55.5 Ų | 55.5 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | trans | -71.5 | -3.9 | 177.4 | 32.4 | -39.1 | 0 | 0 | 0 | 113.6 | R175 A177 C517 G523 A524 W525 | R175-P519 HydrophobicContact CG-CG 3.99Å; A177-P519 HydrophobicContact CB-CB 4.35Å; A177-P519 HydrophobicContact CB-CG 3.48Å; A177-P519 VanDerWaalsContact CB-CG 3.48Å; C517-P519 WeakPolarHBondContact O-CD 3.39Å; C517-P519 VanDerWaalsContact O-N 3.11Å; P519-G523 VanDerWaalsContact O-CA 3.31Å; P519-G523 WeakPolarHBondContact O-CA 3.42Å; P519-G523 PolarHBondContact O-N 2.88Å; P519-A524 WeakPolarHBondContact CB-O 3.35Å; P519-W525 HydrophobicContact CG-CD2 4.28Å; P519-W525 HydrophobicContact CG-CE3 4.31Å | ||
| 520 | G | 94.2 | Very high | 96 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | trans | 73.5 | 177.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R175 D518 T522 | R175-G520 WeakPolarHBondContact CD-O 3.37Å; R175-G520 VanDerWaalsContact CZ-C 3.44Å; D518-G520 PolarHBondContact O-N 3.03Å; D518-G520 VanDerWaalsContact O-N 3.15Å; D518-G520 PolarHBondContact OD1-N 3.43Å; G520-T522 VanDerWaalsContact C-N 3.27Å; G520-T522 PolarHBondContact O-N 2.64Å | ||
| 521 | P | 88 | Confident | 96 | Very high | 104 Ų | 104 | 53.7 Ų | 53.7 | 68% | 0.675 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -17.6 | -170.3 | 27.1 | -34.6 | 0 | 0 | 0 | 114.8 | R175 | R175-P521 VanDerWaalsContact NH1-CA 3.26Å; R175-P521 VanDerWaalsContact NH1-N 3.18Å |
| 522 | T | 87 | Confident | 95.9 | Very high | 140 Ų | 140 | 54.9 Ų | 54.9 | 86% | 0.859 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | 2.8 | -176.8 | 59.2 | 0 | 0 | 0 | 0 | 112.5 | G520 | G520-T522 VanDerWaalsContact C-N 3.27Å; G520-T522 PolarHBondContact O-N 2.64Å |
| 523 | G | 93.2 | Very high | 95.8 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 29% | 0.289 | 31% | 0.312 | S | S | . | . | trans | -86.4 | -171.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | P519 | P519-G523 VanDerWaalsContact O-CA 3.31Å; P519-G523 WeakPolarHBondContact O-CA 3.42Å; P519-G523 PolarHBondContact O-N 2.88Å | ||
| 524 | A | 97.7 | Very high | 95.7 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -133.6 | 144.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L178 V186 P519 G526 | L178-A524 HydrophobicContact CB-CB 4.23Å; L178-A524 CarbonylContact O-C 3.4Å; L178-A524 WeakPolarHBondContact O-CA 3.45Å; L178-A524 VanDerWaalsContact O-CB 3.26Å; L178-A524 WeakPolarHBondContact O-CB 3.49Å; V186-A524 HydrophobicContact CG1-CB 3.93Å; V186-A524 HydrophobicContact CG2-CB 3.72Å; P519-A524 WeakPolarHBondContact CB-O 3.35Å; A524-G526 PolarHBondContact O-N 3.19Å |
| 525 | W | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -58.8 | 130.1 | 176.3 | -69.9 | 108.8 | 0 | 0 | 0 | 111 | P100 M134 T154 R164 Y166 I168 R175 A177 L178 D179 R181 C517 P519 | P100-W525 HydrophobicContact CB-CE3 4.42Å; P100-W525 HydrophobicContact CB-CH2 4.46Å; P100-W525 HydrophobicContact CB-CZ3 4.29Å; M134-W525 HydrophobicContact CE-CB 4.29Å; M134-W525 HydrophobicContact CE-CE3 4.3Å; T154-W525 HydrophobicContact CG2-CB 4.4Å; R164-W525 PolarHBondContact O-NE1 3.28Å; Y166-W525 HydrophobicContact CD1-CH2 4.45Å; I168-W525 HydrophobicContact CD1-CH2 4.19Å; I168-W525 HydrophobicContact CG1-CH2 4.46Å; R175-W525 HydrophobicContact CB-CH2 4.4Å; R175-W525 HydrophobicContact CB-CZ2 4.25Å; R175-W525 HydrophobicContact CG-CZ2 4.21Å; A177-W525 HydrophobicContact CB-CG 4.5Å; L178-W525 PolarHBondContact O-N 3.21Å; D179-W525 HydrophobicContact CB-CB 4.17Å; R181-W525 PolarHBondContact NH2-O 2.7Å; C517-W525 HydrophobicContact CB-CZ3 4.27Å; C517-W525 WeakPolarHBondContact O-CZ3 3.45Å; P519-W525 HydrophobicContact CG-CD2 4.28Å; P519-W525 HydrophobicContact CG-CE3 4.31Å |
| 526 | G | 98.1 | Very high | 95.4 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | trans | 177.9 | -169.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A524 W528 | A524-G526 PolarHBondContact O-N 3.19Å; G526-W528 VanDerWaalsContact O-CE3 3.29Å | ||
| 527 | P | 98.3 | Very high | 95.2 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 29% | 0.292 | 31% | 0.306 | S | S | . | . | trans | -59.9 | 140 | -176.7 | -21.6 | 30.1 | 0 | 0 | 0 | 113.9 | M134 Y135 K137 L140 | M134-P527 WeakPolarHBondContact O-CA 3.33Å; M134-P527 VanDerWaalsContact O-CG 3.29Å; M134-P527 WeakPolarHBondContact O-CG 3.3Å; Y135-P527 CarbonylContact O-C 3.59Å; Y135-P527 VanDerWaalsContact O-CA 3.3Å; Y135-P527 WeakPolarHBondContact O-CA 3.16Å; K137-P527 HydrophobicContact CG-CB 4.28Å; K137-P527 HydrophobicContact CG-CG 4.17Å; L140-P527 HydrophobicContact CD1-CG 3.95Å; L140-P527 HydrophobicContact CD2-CG 4.08Å; L140-P527 HydrophobicContact CG-CG 4.2Å | ||
| 528 | W | 97.9 | Very high | 95 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 19% | 0.186 | 33% | 0.328 | C | S | . | . | trans | -125.8 | -4.7 | 173.7 | 64.3 | 88.6 | 0 | 0 | 0 | 113.5 | P100 P103 M134 Y135 D514 Q516 C517 G526 | P100-W528 WeakPolarHBondContact O-CH2 3.39Å; P103-W528 HydrophobicContact CB-CZ2 4.23Å; M134-W528 HydrophobicContact CE-CZ3 3.82Å; M134-W528 HydrophobicContact SD-CE3 4.35Å; M134-W528 HydrophobicContact SD-CZ3 3.67Å; Y135-W528 VanDerWaalsContact CB-CH2 3.44Å; Y135-W528 VanDerWaalsContact CB-CZ2 3.42Å; Y135-W528 HydrophobicContact CG-CZ2 4.46Å; Y135-W528 PolarHBondContact O-N 3.38Å; D514-W528 HydrophobicContact CB-CZ2 4.29Å; D514-W528 PolarHBondContact OD2-NE1 3.19Å; Q516-W528 HydrophobicContact CB-CG 4.25Å; Q516-W528 WeakPolarHBondContact O-CB 3.17Å; C517-W528 HydrophobicContact CB-CD2 4.12Å; C517-W528 HydrophobicContact CB-CE3 3.91Å; C517-W528 HydrophobicContact CB-CH2 3.83Å; C517-W528 HydrophobicContact CB-CZ2 3.99Å; C517-W528 HydrophobicContact CB-CZ3 3.77Å; G526-W528 VanDerWaalsContact O-CE3 3.29Å | ||
| 529 | A | 93.4 | Very high | 94.7 | Very high | 94 Ų | 94 | 48.9 Ų | 48.9 | 78% | 0.777 | 34% | 0.337 | S | S | * | . | trans | -123.8 | 0 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y135 K136 | Y135-A529 HydrophobicContact CD2-CB 3.83Å; Y135-A529 HydrophobicContact CE2-CB 4.13Å; Y135-A529 PolarHBondContact O-N 3.43Å; K136-A529 HydrophobicContact CG-CB 3.83Å |
Retrieved 529 of 529 residues in 380.9 ms
(Link to these results)