| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.7 | Very low | 46.4 | Very low | 246 Ų | 246 | 142.5 Ų | 142.5 | 100% | 1.212 | 77% | 0.768 | S | S | * | * | 0 | 98.8 | 0 | -87.3 | 173 | 171.1 | 0 | 0 | 107.6 | |||||
| 2 | V | 30 | Very low | 50.1 | Low | 147 Ų | 147 | 139.2 Ų | 139.2 | 89% | 0.891 | 74% | 0.741 | S | S | * | * | trans | -118.7 | 131.1 | 169.1 | -179.6 | 0 | 0 | 0 | 0 | 105.7 | R4 | V2-R4 PolarHBondContact O-N 3.39Š| ||
| 3 | S | 29.3 | Very low | 53.4 | Low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | trans | -48.7 | 127.1 | -167.4 | -154.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 4 | R | 40.6 | Very low | 56.2 | Low | 224 Ų | 224 | 122 Ų | 122 | 85% | 0.845 | 65% | 0.65 | S | S | * | * | trans | -61.4 | 156.1 | 146.5 | -74.6 | 174.4 | 170.1 | 176 | -5.4 | 108.2 | V2 | V2-R4 PolarHBondContact O-N 3.39Š| ||
| 5 | D | 37.3 | Very low | 58.4 | Low | 155 Ų | 155 | 114.1 Ų | 114.1 | 83% | 0.829 | 61% | 0.609 | S | S | * | * | trans | 101.9 | 64.4 | 177.5 | -51.5 | -17.9 | 0 | 0 | 0 | 115.4 | ||||
| 6 | Q | 35.3 | Very low | 60.2 | Low | 180 Ų | 180 | 110 Ų | 110 | 84% | 0.841 | 59% | 0.587 | S | S | * | * | trans | -105.6 | 103 | 136.6 | -83 | -175.8 | -5.1 | 0 | 0 | 107.3 | H8 | Q6-H8 PolarHBondContact O-N 3.39Å; Q6-H8 VanDerWaalsContact O-N 3.12Å | ||
| 7 | A | 41.8 | Very low | 61.8 | Low | 86 Ų | 86 | 106.2 Ų | 106.2 | 71% | 0.711 | 56% | 0.563 | S | S | * | * | trans | -54.6 | 116.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | L9 | A7-L9 PolarHBondContact O-N 3.09Š| ||
| 8 | H | 48.8 | Very low | 63.3 | Low | 146 Ų | 146 | 105.4 Ų | 105.4 | 68% | 0.676 | 56% | 0.559 | S | S | * | * | trans | -65.2 | 98.5 | 178.1 | -73 | -75.3 | 0 | 0 | 0 | 109.6 | Q6 G10 H36 | Q6-H8 PolarHBondContact O-N 3.39Å; Q6-H8 VanDerWaalsContact O-N 3.12Å; H8-G10 PolarHBondContact O-N 3.38Å; H8-G10 VanDerWaalsContact O-N 3.16Å; H8-H36 AromaticContact CG-NE2 3.99Å | ||
| 9 | L | 57.6 | Low | 64.7 | Low | 177 Ų | 177 | 100.5 Ų | 100.5 | 93% | 0.927 | 53% | 0.532 | S | S | * | . | trans | -75.4 | 15.9 | -177.4 | -99.2 | 145 | 0 | 0 | 0 | 114.8 | A7 | A7-L9 PolarHBondContact O-N 3.09Š| ||
| 10 | G | 70.4 | Confident | 65.9 | Low | 31 Ų | 31 | 104.1 Ų | 104.1 | 32% | 0.32 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -88 | 173.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H8 | H8-G10 PolarHBondContact O-N 3.38Å; H8-G10 VanDerWaalsContact O-N 3.16Å |
| 11 | P | 85.4 | Confident | 66.8 | Low | 63 Ų | 63 | 100.4 Ų | 100.4 | 41% | 0.409 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 141.8 | -176.3 | 22.2 | -31.7 | 0 | 0 | 0 | 111.7 | Y13 E69 | P11-Y13 HydrophobicContact CB-CE2 4.18Å; P11-Y13 HydrophobicContact CG-CE2 4.04Å; P11-E69 HydrophobicContact CB-CG 3.94Å; P11-E69 VanDerWaalsContact CB-OE1 3.26Å; P11-E69 WeakPolarHBondContact CB-OE1 3.42Å |
| 12 | K | 91.6 | Very high | 68.8 | Low | 102 Ų | 102 | 92.2 Ų | 92.2 | 44% | 0.443 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 143.5 | 174.2 | -66.8 | -176 | -179.8 | -176.8 | 0 | 109.2 | V34 F35 R70 | K12-V34 HydrophobicContact CB-CG1 4.09Å; K12-V34 HydrophobicContact CD-CG1 4.17Å; K12-V34 HydrophobicContact CG-CG1 4.46Å; K12-F35 WeakPolarHBondContact CA-O 3.22Å; K12-R70 HydrophobicContact CB-CB 4.34Å; K12-R70 VanDerWaalsContact O-CB 3.31Å; K12-R70 WeakPolarHBondContact O-CB 3.48Å; K12-R70 PolarHBondContact O-N 2.76Å |
| 13 | Y | 92.8 | Very high | 71 | Confident | 9 Ų | 9 | 87.4 Ų | 87.4 | 4% | 0.035 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 154.5 | 175.9 | -67.7 | -97.5 | 0 | 0 | 0 | 110 | P11 V34 F35 V37 K40 W45 L67 A68 E69 | P11-Y13 HydrophobicContact CB-CE2 4.18Å; P11-Y13 HydrophobicContact CG-CE2 4.04Å; Y13-V34 CarbonylContact O-C 3.31Å; Y13-V34 VanDerWaalsContact O-CA 3.3Å; Y13-V34 WeakPolarHBondContact O-CA 3.11Å; Y13-V34 WeakPolarHBondContact O-CG1 3.39Å; Y13-F35 PolarHBondContact N-O 2.96Å; Y13-F35 PolarHBondContact O-N 3.07Å; Y13-V37 HydrophobicContact CD1-CG2 4.34Å; Y13-V37 HydrophobicContact CD2-CB 3.91Å; Y13-V37 HydrophobicContact CD2-CG2 3.37Å; Y13-V37 HydrophobicContact CE2-CB 3.9Å; Y13-V37 HydrophobicContact CE2-CG2 3.8Å; Y13-V37 HydrophobicContact CG-CG2 3.71Å; Y13-K40 PolarHBondContact OH-NZ 2.88Å; Y13-W45 AromaticContact CD1-CZ3 3.99Å; Y13-W45 HydrophobicContact CD1-CZ3 3.99Å; Y13-W45 HydrophobicContact CE1-CH2 4.42Å; Y13-W45 AromaticContact CE1-CZ3 3.84Å; Y13-W45 HydrophobicContact CE1-CZ3 3.84Å; Y13-L67 HydrophobicContact CD1-CB 4.4Å; Y13-A68 CarbonylContact C-O 3.55Å; Y13-A68 WeakPolarHBondContact CA-O 3.22Å; Y13-A68 WeakPolarHBondContact CB-O 3.44Å; Y13-E69 HydrophobicContact CD1-CB 4.08Å; Y13-E69 HydrophobicContact CE1-CB 3.67Å; Y13-E69 HydrophobicContact CE1-CG 4.13Å; Y13-E69 PolarHBondContact OH-OE2 2.9Å |
| 14 | V | 92.1 | Very high | 73.3 | Confident | 29 Ų | 29 | 90.5 Ų | 90.5 | 18% | 0.176 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.6 | 177.2 | 63.9 | 0 | 0 | 0 | 0 | 110.5 | L16 D33 L67 A68 | V14-L16 PolarHBondContact O-N 3.22Å; V14-D33 CarbonylContact C-O 3.55Å; V14-D33 WeakPolarHBondContact CA-O 3.27Å; V14-L67 WeakPolarHBondContact O-CA 3.5Å; V14-A68 HydrophobicContact CG1-CB 4.33Å; V14-A68 PolarHBondContact N-O 3.45Å; V14-A68 PolarHBondContact O-N 2.95Å; V14-A68 VanDerWaalsContact O-N 3.08Å |
| 15 | G | 89.9 | Confident | 75.4 | Confident | 3 Ų | 3 | 85.3 Ų | 85.3 | 3% | 0.031 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 122.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A31 G32 D33 | G15-A31 WeakPolarHBondContact O-CA 3.35Å; G15-G32 PolarHBondContact O-N 3.07Å; G15-D33 PolarHBondContact N-O 3.01Å |
| 16 | L | 86.5 | Confident | 77.9 | Confident | 49 Ų | 49 | 78.5 Ų | 78.5 | 26% | 0.257 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -85.8 | -25 | -179.9 | -66.1 | 178.6 | 0 | 0 | 0 | 112.7 | V14 Y66 A68 | V14-L16 PolarHBondContact O-N 3.22Å; L16-Y66 WeakPolarHBondContact CB-O 3.3Å; L16-Y66 PolarHBondContact N-O 3.08Å; L16-A68 HydrophobicContact CD1-CB 3.97Å; L16-A68 HydrophobicContact CD2-CB 3.84Å; L16-A68 HydrophobicContact CG-CB 4.03Å |
| 17 | W | 87.4 | Confident | 80.6 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 17% | 0.17 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -140.5 | 164.4 | 178.3 | -60.3 | -88.9 | 0 | 0 | 0 | 110.4 | F29 S65 Y66 K172 E174 P175 | W17-F29 WeakPolarHBondContact O-CE2 3.37Å; W17-S65 WeakPolarHBondContact CZ3-O 3.31Å; W17-Y66 HydrophobicContact CB-CD1 3.78Å; W17-Y66 HydrophobicContact CB-CE1 3.74Å; W17-Y66 HydrophobicContact CE3-CD1 4.35Å; W17-Y66 HydrophobicContact CE3-CG 4.19Å; W17-K172 HydrophobicContact CZ2-CB 4.1Å; W17-K172 HydrophobicContact CZ2-CD 4.35Å; W17-E174 HydrophobicContact CB-CG 4Å; W17-E174 HydrophobicContact CG-CB 4.13Å; W17-E174 HydrophobicContact CG-CG 3.85Å; W17-P175 HydrophobicContact CE3-CG 4.23Å; W17-P175 HydrophobicContact CH2-CG 4.31Å; W17-P175 HydrophobicContact CZ3-CG 4.09Å |
| 18 | D | 89.3 | Confident | 83 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 49% | 0.492 | 36% | 0.36 | S | S | . | . | trans | -70.8 | 139.5 | 169.6 | -69.7 | -4.7 | 0 | 0 | 0 | 109.4 | R30 A31 Y66 | D18-R30 VanDerWaalsContact OD1-CA 3.3Å; D18-R30 WeakPolarHBondContact OD1-CA 3.26Å; D18-A31 PolarHBondContact OD1-N 3.05Å; D18-Y66 WeakPolarHBondContact O-CE1 3.49Å | ||
| 19 | F | 89.9 | Confident | 85.2 | Confident | 12 Ų | 12 | 63 Ų | 63 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -135.3 | 132.3 | 176.8 | 176 | -105.6 | 0 | 0 | 0 | 110.9 | E26 L27 S28 F29 W44 P63 Y66 P177 | F19-E26 HydrophobicContact CE1-CB 4.31Å; F19-E26 HydrophobicContact CZ-CB 4.48Å; F19-L27 WeakPolarHBondContact CD1-O 3.46Å; F19-L27 WeakPolarHBondContact CE1-O 3.1Å; F19-S28 CarbonylContact O-C 3.55Å; F19-S28 VanDerWaalsContact O-CA 3.27Å; F19-S28 WeakPolarHBondContact O-CA 3.44Å; F19-F29 HydrophobicContact CB-CD1 3.91Å; F19-F29 HydrophobicContact CB-CD2 4.3Å; F19-F29 HydrophobicContact CB-CE1 3.46Å; F19-F29 VanDerWaalsContact CB-CE1 3.46Å; F19-F29 HydrophobicContact CB-CE2 3.9Å; F19-F29 HydrophobicContact CB-CG 4.31Å; F19-F29 HydrophobicContact CB-CZ 3.44Å; F19-F29 VanDerWaalsContact CB-CZ 3.44Å; F19-F29 AromaticContact CD1-CD1 3.96Å; F19-F29 HydrophobicContact CD1-CD1 3.96Å; F19-F29 AromaticContact CD1-CE1 3.53Å; F19-F29 HydrophobicContact CD1-CE1 3.53Å; F19-F29 HydrophobicContact CD1-CZ 4.3Å; F19-F29 HydrophobicContact CG-CD1 4.42Å; F19-F29 AromaticContact CG-CE1 3.81Å; F19-F29 HydrophobicContact CG-CE1 3.81Å; F19-F29 HydrophobicContact CG-CZ 4.13Å; F19-F29 PolarHBondContact N-O 2.95Å; F19-F29 PolarHBondContact O-N 2.75Å; F19-W44 HydrophobicContact CE1-CH2 4.33Å; F19-W44 HydrophobicContact CE1-CZ3 4.25Å; F19-W44 HydrophobicContact CE2-CH2 4.18Å; F19-W44 AromaticContact CZ-CH2 3.6Å; F19-W44 HydrophobicContact CZ-CH2 3.6Å; F19-W44 AromaticContact CZ-CZ3 3.97Å; F19-W44 HydrophobicContact CZ-CZ3 3.97Å; F19-P63 HydrophobicContact CD1-CG 4.47Å; F19-P63 HydrophobicContact CD2-CG 3.82Å; F19-P63 HydrophobicContact CE1-CG 4.37Å; F19-P63 HydrophobicContact CE2-CG 3.72Å; F19-P63 HydrophobicContact CG-CG 4.24Å; F19-P63 HydrophobicContact CZ-CG 4.03Å; F19-Y66 HydrophobicContact CB-CD1 3.81Å; F19-Y66 HydrophobicContact CB-CE1 3.87Å; F19-Y66 HydrophobicContact CD2-CD1 4.5Å; F19-Y66 HydrophobicContact CD2-CE1 4.12Å; F19-Y66 HydrophobicContact CG-CD1 4.46Å; F19-Y66 HydrophobicContact CG-CE1 4.41Å; F19-P177 HydrophobicContact CD2-CG 3.99Å; F19-P177 HydrophobicContact CE2-CB 4.45Å; F19-P177 HydrophobicContact CE2-CG 3.61Å |
| 20 | K | 88 | Confident | 86.9 | Confident | 173 Ų | 173 | 63 Ų | 63 | 75% | 0.752 | 32% | 0.318 | S | S | * | . | trans | -110.6 | 118.5 | 177.1 | -171.7 | 175.9 | -178.5 | 178.8 | 0 | 109.9 | ||||
| 21 | A | 84.8 | Confident | 87.9 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 22% | 0.223 | 32% | 0.324 | C | S | . | . | trans | -57 | 141.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E26 S28 | A21-E26 HydrophobicContact CB-CB 3.71Å; A21-E26 WeakPolarHBondContact CB-O 3.31Å; A21-S28 VanDerWaalsContact CB-OG 3.23Å; A21-S28 WeakPolarHBondContact CB-OG 3.42Å; A21-S28 PolarHBondContact N-OG 2.84Å | ||
| 22 | R | 76.5 | Confident | 88 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 28% | 0.279 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -119.1 | -16.8 | -177.3 | -58.1 | 163.3 | -65.5 | -173.5 | 1.1 | 112.3 | E26 W44 P177 | R22-E26 WeakPolarHBondContact CA-OE2 3.22Å; R22-E26 WeakPolarHBondContact CB-OE2 3.21Å; R22-E26 IonicContact CZ-OE1 2.67Å; R22-E26 IonicContact CZ-OE2 3.8Å; R22-E26 PolarHBondContact N-OE2 3.27Å; R22-E26 IonicContact NE-OE1 3.99Å; R22-E26 PolarHBondContact NE-OE1 3.28Å; R22-E26 IonicContact NE-OE2 3.13Å; R22-E26 PolarHBondContact NE-OE2 2.85Å; R22-E26 VanDerWaalsContact NE-OE2 3.14Å; R22-E26 IonicContact NH2-OE1 2.78Å; R22-E26 PolarHBondContact NH2-OE1 2.97Å; R22-E26 IonicContact NH2-OE2 2.65Å; R22-W44 VanDerWaalsContact NH2-CH2 3.26Å; R22-P177 PolarHBondContact NH1-O 3.31Å |
| 23 | T | 74.8 | Confident | 88.2 | Confident | 46 Ų | 46 | 61 Ų | 61 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -124.4 | 166 | 171.2 | 72.9 | 0 | 0 | 0 | 0 | 109 | E25 E26 | T23-E25 PolarHBondContact O-N 3.49Å; T23-E25 PolarHBondContact OG1-N 2.93Å; T23-E26 PolarHBondContact O-N 2.78Å; T23-E26 WeakPolarHBondContact OG1-CG 3.46Å; T23-E26 PolarHBondContact OG1-N 2.99Å |
| 24 | D | 78.5 | Confident | 88.2 | Confident | 178 Ų | 178 | 61.9 Ų | 61.9 | 95% | 0.952 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -12.6 | 179.3 | -58.3 | -31 | 0 | 0 | 0 | 113 | ||
| 25 | E | 84.1 | Confident | 88.4 | Confident | 114 Ų | 114 | 60.5 Ų | 60.5 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -16.7 | 176.7 | -59.8 | 179.9 | 172.8 | 0 | 0 | 112.6 | T23 G60 Y61 H180 | T23-E25 PolarHBondContact O-N 3.49Å; T23-E25 PolarHBondContact OG1-N 2.93Å; E25-G60 CarbonylContact O-C 3.49Å; E25-G60 WeakPolarHBondContact O-CA 3.28Å; E25-Y61 HydrophobicContact CB-CD2 4.12Å; E25-Y61 PolarHBondContact O-N 2.89Å; E25-H180 IonicContact OE2-ND1 3.85Å |
| 26 | E | 89.5 | Confident | 88.6 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.056 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -83 | 146.7 | 177.4 | -73.5 | 177.2 | 178 | 0 | 0 | 111.1 | F19 A21 R22 T23 W44 Y61 | F19-E26 HydrophobicContact CE1-CB 4.31Å; F19-E26 HydrophobicContact CZ-CB 4.48Å; A21-E26 HydrophobicContact CB-CB 3.71Å; A21-E26 WeakPolarHBondContact CB-O 3.31Å; R22-E26 WeakPolarHBondContact CA-OE2 3.22Å; R22-E26 WeakPolarHBondContact CB-OE2 3.21Å; R22-E26 IonicContact CZ-OE1 2.67Å; R22-E26 IonicContact CZ-OE2 3.8Å; R22-E26 PolarHBondContact N-OE2 3.27Å; R22-E26 IonicContact NE-OE1 3.99Å; R22-E26 PolarHBondContact NE-OE1 3.28Å; R22-E26 IonicContact NE-OE2 3.13Å; R22-E26 PolarHBondContact NE-OE2 2.85Å; R22-E26 VanDerWaalsContact NE-OE2 3.14Å; R22-E26 IonicContact NH2-OE1 2.78Å; R22-E26 PolarHBondContact NH2-OE1 2.97Å; R22-E26 IonicContact NH2-OE2 2.65Å; T23-E26 PolarHBondContact O-N 2.78Å; T23-E26 WeakPolarHBondContact OG1-CG 3.46Å; T23-E26 PolarHBondContact OG1-N 2.99Å; E26-W44 HydrophobicContact CG-CH2 3.71Å; E26-W44 HydrophobicContact CG-CZ3 3.72Å; E26-W44 WeakPolarHBondContact OE1-CH2 3.32Å; E26-W44 WeakPolarHBondContact OE1-CZ2 3.21Å; E26-Y61 CarbonylContact C-O 3.49Å; E26-Y61 WeakPolarHBondContact CA-O 3.39Å |
| 27 | L | 92.7 | Very high | 88.8 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | trans | -107.6 | 123.6 | -179.5 | 177.6 | 62.7 | 0 | 0 | 0 | 111.3 | F19 F29 F35 L49 A58 Y61 V62 | F19-L27 WeakPolarHBondContact CD1-O 3.46Å; F19-L27 WeakPolarHBondContact CE1-O 3.1Å; L27-F29 WeakPolarHBondContact O-CD1 3.49Å; L27-F35 HydrophobicContact CD2-CE1 4.29Å; L27-L49 HydrophobicContact CD2-CB 3.98Å; L27-A58 HydrophobicContact CD1-CB 3.59Å; L27-Y61 PolarHBondContact N-O 3.41Å; L27-V62 HydrophobicContact CB-CG1 3.89Å; L27-V62 HydrophobicContact CD2-CG1 4.21Å; L27-V62 HydrophobicContact CG-CG1 4.36Å | ||
| 28 | S | 93.2 | Very high | 88.9 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | trans | -80 | 145.1 | 174.9 | -57.7 | 0 | 0 | 0 | 0 | 112 | F19 A21 | F19-S28 CarbonylContact O-C 3.55Å; F19-S28 VanDerWaalsContact O-CA 3.27Å; F19-S28 WeakPolarHBondContact O-CA 3.44Å; A21-S28 VanDerWaalsContact CB-OG 3.23Å; A21-S28 WeakPolarHBondContact CB-OG 3.42Å; A21-S28 PolarHBondContact N-OG 2.84Å | ||
| 29 | F | 94.5 | Very high | 88.8 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -158.6 | 170.5 | 178.5 | 59.9 | -92.8 | 0 | 0 | 0 | 113 | W17 F19 L27 D33 F35 V62 Y66 L67 | W17-F29 WeakPolarHBondContact O-CE2 3.37Å; F19-F29 HydrophobicContact CB-CD1 3.91Å; F19-F29 HydrophobicContact CB-CD2 4.3Å; F19-F29 HydrophobicContact CB-CE1 3.46Å; F19-F29 VanDerWaalsContact CB-CE1 3.46Å; F19-F29 HydrophobicContact CB-CE2 3.9Å; F19-F29 HydrophobicContact CB-CG 4.31Å; F19-F29 HydrophobicContact CB-CZ 3.44Å; F19-F29 VanDerWaalsContact CB-CZ 3.44Å; F19-F29 AromaticContact CD1-CD1 3.96Å; F19-F29 HydrophobicContact CD1-CD1 3.96Å; F19-F29 AromaticContact CD1-CE1 3.53Å; F19-F29 HydrophobicContact CD1-CE1 3.53Å; F19-F29 HydrophobicContact CD1-CZ 4.3Å; F19-F29 HydrophobicContact CG-CD1 4.42Å; F19-F29 AromaticContact CG-CE1 3.81Å; F19-F29 HydrophobicContact CG-CE1 3.81Å; F19-F29 HydrophobicContact CG-CZ 4.13Å; F19-F29 PolarHBondContact N-O 2.95Å; F19-F29 PolarHBondContact O-N 2.75Å; L27-F29 WeakPolarHBondContact O-CD1 3.49Å; F29-D33 HydrophobicContact CB-CB 4.31Å; F29-F35 HydrophobicContact CB-CE1 4.11Å; F29-F35 HydrophobicContact CB-CZ 3.55Å; F29-F35 HydrophobicContact CD1-CE1 4.15Å; F29-F35 AromaticContact CD1-CZ 3.81Å; F29-F35 HydrophobicContact CD1-CZ 3.81Å; F29-F35 HydrophobicContact CD2-CE2 4.18Å; F29-F35 AromaticContact CD2-CZ 3.7Å; F29-F35 HydrophobicContact CD2-CZ 3.7Å; F29-F35 HydrophobicContact CE1-CZ 4.4Å; F29-F35 HydrophobicContact CE2-CZ 4.3Å; F29-F35 HydrophobicContact CG-CE1 4.13Å; F29-F35 HydrophobicContact CG-CE2 4.34Å; F29-F35 AromaticContact CG-CZ 3.42Å; F29-F35 HydrophobicContact CG-CZ 3.42Å; F29-F35 VanDerWaalsContact CG-CZ 3.42Å; F29-V62 HydrophobicContact CD1-CG1 3.9Å; F29-V62 HydrophobicContact CE1-CB 3.83Å; F29-V62 HydrophobicContact CE1-CG1 3.59Å; F29-Y66 HydrophobicContact CE2-CD1 4.25Å; F29-Y66 AromaticContact CZ-CD1 3.98Å; F29-Y66 HydrophobicContact CZ-CD1 3.98Å; F29-Y66 HydrophobicContact CZ-CG 4.25Å; F29-L67 HydrophobicContact CZ-CD1 4.25Å |
| 30 | R | 93.6 | Very high | 88.6 | Confident | 178 Ų | 178 | 69.1 Ų | 69.1 | 67% | 0.672 | 36% | 0.358 | S | S | * | . | trans | -109.2 | 156.6 | 174.3 | -65.5 | -175.6 | 179.5 | -178.4 | 0.2 | 111.9 | D18 G32 D33 | D18-R30 VanDerWaalsContact OD1-CA 3.3Å; D18-R30 WeakPolarHBondContact OD1-CA 3.26Å; R30-G32 PolarHBondContact O-N 3.12Å; R30-D33 PolarHBondContact N-OD2 3.07Å; R30-D33 WeakPolarHBondContact O-CB 3.23Å; R30-D33 VanDerWaalsContact O-CG 3.3Å; R30-D33 PolarHBondContact O-N 3.01Å; R30-D33 VanDerWaalsContact O-N 3.09Å | ||
| 31 | A | 90.2 | Very high | 88.2 | Confident | 53 Ų | 53 | 64 Ų | 64 | 44% | 0.438 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 131.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | G15 D18 | G15-A31 WeakPolarHBondContact O-CA 3.35Å; D18-A31 PolarHBondContact OD1-N 3.05Å |
| 32 | G | 89 | Confident | 87.7 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 49% | 0.485 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -14.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G15 R30 | G15-G32 PolarHBondContact O-N 3.07Å; R30-G32 PolarHBondContact O-N 3.12Å |
| 33 | D | 94 | Very high | 87.6 | Confident | 52 Ų | 52 | 69.6 Ų | 69.6 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | trans | -61.6 | 148.2 | 175 | -74.9 | -10.3 | 0 | 0 | 0 | 111.1 | V14 G15 F29 R30 F35 L49 | V14-D33 CarbonylContact C-O 3.55Å; V14-D33 WeakPolarHBondContact CA-O 3.27Å; G15-D33 PolarHBondContact N-O 3.01Å; F29-D33 HydrophobicContact CB-CB 4.31Å; R30-D33 PolarHBondContact N-OD2 3.07Å; R30-D33 WeakPolarHBondContact O-CB 3.23Å; R30-D33 VanDerWaalsContact O-CG 3.3Å; R30-D33 PolarHBondContact O-N 3.01Å; R30-D33 VanDerWaalsContact O-N 3.09Å; D33-F35 HydrophobicContact CB-CE2 4.02Å; D33-F35 HydrophobicContact CB-CZ 3.94Å; D33-F35 VanDerWaalsContact O-CE2 3.25Å; D33-F35 WeakPolarHBondContact O-CE2 3.22Å; D33-L49 HydrophobicContact CB-CD1 3.67Å | ||
| 34 | V | 94.3 | Very high | 88.1 | Confident | 29 Ų | 29 | 67.9 Ų | 67.9 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.6 | -172 | -175.7 | 0 | 0 | 0 | 0 | 111 | K12 Y13 L50 | K12-V34 HydrophobicContact CB-CG1 4.09Å; K12-V34 HydrophobicContact CD-CG1 4.17Å; K12-V34 HydrophobicContact CG-CG1 4.46Å; Y13-V34 CarbonylContact O-C 3.31Å; Y13-V34 VanDerWaalsContact O-CA 3.3Å; Y13-V34 WeakPolarHBondContact O-CA 3.11Å; Y13-V34 WeakPolarHBondContact O-CG1 3.39Å; V34-L50 HydrophobicContact CG1-CD1 4.25Å; V34-L50 WeakPolarHBondContact O-CB 3.4Å; V34-L50 PolarHBondContact O-N 2.8Å |
| 35 | F | 95.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 153.7 | -174.9 | -53.5 | -92.8 | 0 | 0 | 0 | 112.9 | K12 Y13 L27 F29 D33 A47 T48 L49 V62 L67 | K12-F35 WeakPolarHBondContact CA-O 3.22Å; Y13-F35 PolarHBondContact N-O 2.96Å; Y13-F35 PolarHBondContact O-N 3.07Å; L27-F35 HydrophobicContact CD2-CE1 4.29Å; F29-F35 HydrophobicContact CB-CE1 4.11Å; F29-F35 HydrophobicContact CB-CZ 3.55Å; F29-F35 HydrophobicContact CD1-CE1 4.15Å; F29-F35 AromaticContact CD1-CZ 3.81Å; F29-F35 HydrophobicContact CD1-CZ 3.81Å; F29-F35 HydrophobicContact CD2-CE2 4.18Å; F29-F35 AromaticContact CD2-CZ 3.7Å; F29-F35 HydrophobicContact CD2-CZ 3.7Å; F29-F35 HydrophobicContact CE1-CZ 4.4Å; F29-F35 HydrophobicContact CE2-CZ 4.3Å; F29-F35 HydrophobicContact CG-CE1 4.13Å; F29-F35 HydrophobicContact CG-CE2 4.34Å; F29-F35 AromaticContact CG-CZ 3.42Å; F29-F35 HydrophobicContact CG-CZ 3.42Å; F29-F35 VanDerWaalsContact CG-CZ 3.42Å; D33-F35 HydrophobicContact CB-CE2 4.02Å; D33-F35 HydrophobicContact CB-CZ 3.94Å; D33-F35 VanDerWaalsContact O-CE2 3.25Å; D33-F35 WeakPolarHBondContact O-CE2 3.22Å; F35-A47 HydrophobicContact CB-CB 4.29Å; F35-A47 HydrophobicContact CD1-CB 4.12Å; F35-T48 CarbonylContact C-O 3.48Å; F35-T48 VanDerWaalsContact CA-O 3.23Å; F35-T48 WeakPolarHBondContact CA-O 3.42Å; F35-L49 HydrophobicContact CD1-CB 4.18Å; F35-L49 HydrophobicContact CD1-CD1 4.22Å; F35-L49 HydrophobicContact CE1-CB 4.01Å; F35-L49 HydrophobicContact CE1-CD1 3.67Å; F35-L49 HydrophobicContact CE1-CG 4.42Å; F35-L49 HydrophobicContact CZ-CD1 3.9Å; F35-V62 HydrophobicContact CE1-CG1 4.45Å; F35-L67 HydrophobicContact CB-CD2 4.09Å; F35-L67 HydrophobicContact CD2-CD2 3.86Å; F35-L67 HydrophobicContact CD2-CG 4.35Å; F35-L67 HydrophobicContact CG-CD2 3.95Å |
| 36 | H | 94.1 | Very high | 89.1 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 13% | 0.125 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.4 | 154.2 | -168.2 | 73.4 | 0 | 0 | 0 | 109.5 | H8 A47 T48 L50 | H8-H36 AromaticContact CG-NE2 3.99Å; H36-A47 CarbonylContact O-C 3.6Å; H36-A47 WeakPolarHBondContact O-CA 3.18Å; H36-T48 PolarHBondContact N-O 3.12Å; H36-T48 PolarHBondContact O-N 2.88Å; H36-L50 HydrophobicContact CB-CD1 4.48Å |
| 37 | V | 92.1 | Very high | 89.4 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114.6 | 179.5 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | Y13 K40 W45 A47 L67 | Y13-V37 HydrophobicContact CD1-CG2 4.34Å; Y13-V37 HydrophobicContact CD2-CB 3.91Å; Y13-V37 HydrophobicContact CD2-CG2 3.37Å; Y13-V37 HydrophobicContact CE2-CB 3.9Å; Y13-V37 HydrophobicContact CE2-CG2 3.8Å; Y13-V37 HydrophobicContact CG-CG2 3.71Å; V37-K40 HydrophobicContact CG1-CG 3.69Å; V37-W45 HydrophobicContact CG1-CB 3.96Å; V37-W45 HydrophobicContact CG1-CD2 4.24Å; V37-W45 HydrophobicContact CG1-CE3 4.06Å; V37-W45 HydrophobicContact CG1-CG 4.26Å; V37-W45 HydrophobicContact CG2-CE3 3.91Å; V37-A47 HydrophobicContact CG2-CB 4.38Å; V37-L67 HydrophobicContact CG2-CD2 4.03Å |
| 38 | A | 88.1 | Confident | 89.5 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 50% | 0.496 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -36 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W46 | A38-W46 PolarHBondContact N-O 3.25Å |
| 39 | R | 87.3 | Confident | 89.6 | Confident | 162 Ų | 162 | 56.5 Ų | 56.5 | 61% | 0.611 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 139 | 177.2 | -57.6 | -178.3 | -178.1 | 175.5 | 1.8 | 110.6 | W45 W46 | R39-W45 CarbonylContact O-C 3.43Å; R39-W45 WeakPolarHBondContact O-CA 3.41Å; R39-W46 HydrophobicContact CB-CB 3.99Å; R39-W46 PolarHBondContact N-O 2.86Å; R39-W46 PolarHBondContact O-N 2.96Å |
| 40 | K | 86.7 | Confident | 89.7 | Confident | 116 Ų | 116 | 57.3 Ų | 57.3 | 50% | 0.504 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 100.6 | 176.7 | -65.6 | -175.7 | 177.3 | -179.6 | 0 | 109 | Y13 V37 W45 | Y13-K40 PolarHBondContact OH-NZ 2.88Å; V37-K40 HydrophobicContact CG1-CG 3.69Å; K40-W45 VanDerWaalsContact CA-CD1 3.46Å; K40-W45 HydrophobicContact CB-CD2 4.43Å; K40-W45 HydrophobicContact CB-CG 4.27Å; K40-W45 HydrophobicContact CD-CD2 4.42Å; K40-W45 HydrophobicContact CD-CH2 4.44Å; K40-W45 HydrophobicContact CD-CZ2 4.04Å; K40-W45 HydrophobicContact CG-CD2 3.9Å; K40-W45 HydrophobicContact CG-CG 4.07Å; K40-W45 HydrophobicContact CG-CZ2 4.32Å |
| 41 | E | 78.5 | Confident | 89.6 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 82.5 | -177.7 | -69.2 | 168.2 | -164.1 | 0 | 0 | 109.8 | Q43 W44 Y61 | E41-Q43 PolarHBondContact O-N 2.88Å; E41-W44 CarbonylContact C-O 3.58Å; E41-W44 VanDerWaalsContact C-O 3.25Å; E41-W44 WeakPolarHBondContact CA-O 3.4Å; E41-W44 WeakPolarHBondContact CB-O 3.3Å; E41-W44 PolarHBondContact N-O 3.37Å; E41-W44 VanDerWaalsContact N-O 3.09Å; E41-W44 CarbonylContact O-C 3.58Å; E41-W44 PolarHBondContact O-N 3.09Å; E41-Y61 VanDerWaalsContact OE2-CE1 3.28Å; E41-Y61 WeakPolarHBondContact OE2-CE1 3.21Å; E41-Y61 PolarHBondContact OE2-OH 3.33Å |
| 42 | E | 74.6 | Confident | 89.5 | Confident | 114 Ų | 114 | 60 Ų | 60 | 53% | 0.533 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | -107.8 | 179.4 | -57.5 | -171.1 | 166.6 | 0 | 0 | 113.7 | W44 W45 R243 | E42-W44 VanDerWaalsContact C-N 3.35Å; E42-W45 PolarHBondContact O-NE1 2.91Å; E42-R243 VanDerWaalsContact OE1-CD 3.24Å; E42-R243 WeakPolarHBondContact OE1-CD 3.34Å; E42-R243 IonicContact OE1-CZ 2.73Å; E42-R243 IonicContact OE1-NE 2.74Å; E42-R243 IonicContact OE1-NH1 3.77Å; E42-R243 PolarHBondContact OE1-NH1 2.88Å; E42-R243 IonicContact OE2-CZ 2.7Å; E42-R243 IonicContact OE2-NH1 3.17Å; E42-R243 PolarHBondContact OE2-NH1 2.87Å |
| 43 | Q | 75.7 | Confident | 89.3 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 49% | 0.486 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -17.1 | -176.1 | -64.4 | -63.9 | -31.3 | 0 | 0 | 113 | E41 H64 | E41-Q43 PolarHBondContact O-N 2.88Å; Q43-H64 WeakPolarHBondContact CA-ND1 3.41Å; Q43-H64 PolarHBondContact O-N 2.58Å; Q43-H64 PolarHBondContact O-ND1 3.15Å; Q43-H64 PolarHBondContact OE1-CE1 2.78Å; Q43-H64 PolarHBondContact OE1-ND1 3.26Å |
| 44 | W | 85.2 | Confident | 88.8 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125.8 | -172.5 | -75.9 | 96.4 | 0 | 0 | 0 | 110.8 | F19 R22 E26 E41 E42 Y61 V62 P63 P177 V178 H180 | F19-W44 HydrophobicContact CE1-CH2 4.33Å; F19-W44 HydrophobicContact CE1-CZ3 4.25Å; F19-W44 HydrophobicContact CE2-CH2 4.18Å; F19-W44 AromaticContact CZ-CH2 3.6Å; F19-W44 HydrophobicContact CZ-CH2 3.6Å; F19-W44 AromaticContact CZ-CZ3 3.97Å; F19-W44 HydrophobicContact CZ-CZ3 3.97Å; R22-W44 VanDerWaalsContact NH2-CH2 3.26Å; E26-W44 HydrophobicContact CG-CH2 3.71Å; E26-W44 HydrophobicContact CG-CZ3 3.72Å; E26-W44 WeakPolarHBondContact OE1-CH2 3.32Å; E26-W44 WeakPolarHBondContact OE1-CZ2 3.21Å; E41-W44 CarbonylContact C-O 3.58Å; E41-W44 VanDerWaalsContact C-O 3.25Å; E41-W44 WeakPolarHBondContact CA-O 3.4Å; E41-W44 WeakPolarHBondContact CB-O 3.3Å; E41-W44 PolarHBondContact N-O 3.37Å; E41-W44 VanDerWaalsContact N-O 3.09Å; E41-W44 CarbonylContact O-C 3.58Å; E41-W44 PolarHBondContact O-N 3.09Å; E42-W44 VanDerWaalsContact C-N 3.35Å; W44-Y61 HydrophobicContact CB-CD1 3.95Å; W44-V62 WeakPolarHBondContact CA-O 3.22Å; W44-P63 HydrophobicContact CE3-CG 4.27Å; W44-P63 HydrophobicContact CH2-CB 4.47Å; W44-P63 HydrophobicContact CH2-CG 3.7Å; W44-P63 HydrophobicContact CZ2-CG 4.31Å; W44-P63 HydrophobicContact CZ3-CB 4.38Å; W44-P63 VanDerWaalsContact CZ3-CD 3.48Å; W44-P63 HydrophobicContact CZ3-CG 3.68Å; W44-P177 HydrophobicContact CZ2-CB 4.35Å; W44-V178 VanDerWaalsContact CE2-O 3.23Å; W44-V178 WeakPolarHBondContact CZ2-O 3.45Å; W44-V178 PolarHBondContact NE1-O 3.22Å; W44-H180 VanDerWaalsContact CB-CD2 3.48Å; W44-H180 WeakPolarHBondContact CB-CD2 3.43Å; W44-H180 AromaticContact CD1-CD2 3.74Å; W44-H180 HydrophobicContact CD2-CB 3.88Å; W44-H180 HydrophobicContact CE3-CB 4.41Å; W44-H180 HydrophobicContact CG-CB 4.02Å; W44-H180 AromaticContact CG-CD2 3.54Å; W44-H180 HydrophobicContact CZ2-CB 4.25Å |
| 45 | W | 91.4 | Very high | 88.5 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.4 | -179.3 | -66.4 | -3.5 | 0 | 0 | 0 | 109.3 | Y13 V37 R39 K40 E42 A47 Y61 V62 H64 L67 | Y13-W45 AromaticContact CD1-CZ3 3.99Å; Y13-W45 HydrophobicContact CD1-CZ3 3.99Å; Y13-W45 HydrophobicContact CE1-CH2 4.42Å; Y13-W45 AromaticContact CE1-CZ3 3.84Å; Y13-W45 HydrophobicContact CE1-CZ3 3.84Å; V37-W45 HydrophobicContact CG1-CB 3.96Å; V37-W45 HydrophobicContact CG1-CD2 4.24Å; V37-W45 HydrophobicContact CG1-CE3 4.06Å; V37-W45 HydrophobicContact CG1-CG 4.26Å; V37-W45 HydrophobicContact CG2-CE3 3.91Å; R39-W45 CarbonylContact O-C 3.43Å; R39-W45 WeakPolarHBondContact O-CA 3.41Å; K40-W45 VanDerWaalsContact CA-CD1 3.46Å; K40-W45 HydrophobicContact CB-CD2 4.43Å; K40-W45 HydrophobicContact CB-CG 4.27Å; K40-W45 HydrophobicContact CD-CD2 4.42Å; K40-W45 HydrophobicContact CD-CH2 4.44Å; K40-W45 HydrophobicContact CD-CZ2 4.04Å; K40-W45 HydrophobicContact CG-CD2 3.9Å; K40-W45 HydrophobicContact CG-CG 4.07Å; K40-W45 HydrophobicContact CG-CZ2 4.32Å; E42-W45 PolarHBondContact O-NE1 2.91Å; W45-A47 PolarHBondContact O-N 2.78Å; W45-Y61 WeakPolarHBondContact O-CA 3.28Å; W45-V62 HydrophobicContact CB-CG2 4.35Å; W45-V62 PolarHBondContact N-O 2.76Å; W45-V62 WeakPolarHBondContact O-CG2 3.43Å; W45-V62 PolarHBondContact O-N 3.01Å; W45-H64 HydrophobicContact CD2-CB 3.59Å; W45-H64 HydrophobicContact CE3-CB 4.19Å; W45-H64 HydrophobicContact CG-CB 3.9Å; W45-H64 HydrophobicContact CH2-CB 4.24Å; W45-H64 HydrophobicContact CZ2-CB 3.67Å; W45-H64 HydrophobicContact CZ3-CB 4.48Å; W45-H64 VanDerWaalsContact NE1-CB 3.32Å; W45-L67 HydrophobicContact CE3-CB 4.47Å; W45-L67 HydrophobicContact CZ3-CB 4.3Å |
| 46 | W | 92 | Very high | 88.3 | Confident | 72 Ų | 72 | 65.4 Ų | 65.4 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 113.8 | 170.2 | -169.7 | -91.3 | 0 | 0 | 0 | 108.6 | A38 R39 Q59 Y61 | A38-W46 PolarHBondContact N-O 3.25Å; R39-W46 HydrophobicContact CB-CB 3.99Å; R39-W46 PolarHBondContact N-O 2.86Å; R39-W46 PolarHBondContact O-N 2.96Å; W46-Q59 HydrophobicContact CZ2-CB 4.18Å; W46-Y61 HydrophobicContact CB-CE1 4.4Å; W46-Y61 HydrophobicContact CE3-CD1 4.02Å; W46-Y61 AromaticContact CE3-CD2 3.5Å; W46-Y61 HydrophobicContact CE3-CD2 3.5Å; W46-Y61 AromaticContact CE3-CE1 4Å; W46-Y61 HydrophobicContact CE3-CE1 4Å; W46-Y61 AromaticContact CE3-CE2 3.45Å; W46-Y61 HydrophobicContact CE3-CE2 3.45Å; W46-Y61 VanDerWaalsContact CE3-CE2 3.45Å; W46-Y61 AromaticContact CE3-CG 3.79Å; W46-Y61 HydrophobicContact CE3-CG 3.79Å; W46-Y61 AromaticContact CE3-CZ 3.72Å; W46-Y61 AromaticContact CZ3-CD2 3.48Å; W46-Y61 HydrophobicContact CZ3-CD2 3.48Å; W46-Y61 VanDerWaalsContact CZ3-CD2 3.48Å; W46-Y61 AromaticContact CZ3-CE2 3.51Å; W46-Y61 HydrophobicContact CZ3-CE2 3.51Å; W46-Y61 HydrophobicContact CZ3-CG 4.17Å |
| 47 | A | 94.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 155.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F35 H36 V37 W45 Q59 G60 V62 | F35-A47 HydrophobicContact CB-CB 4.29Å; F35-A47 HydrophobicContact CD1-CB 4.12Å; H36-A47 CarbonylContact O-C 3.6Å; H36-A47 WeakPolarHBondContact O-CA 3.18Å; V37-A47 HydrophobicContact CG2-CB 4.38Å; W45-A47 PolarHBondContact O-N 2.78Å; A47-Q59 VanDerWaalsContact O-CA 3.3Å; A47-Q59 WeakPolarHBondContact O-CA 2.89Å; A47-G60 PolarHBondContact N-O 3.44Å; A47-G60 PolarHBondContact O-N 2.85Å; A47-G60 VanDerWaalsContact O-N 3.14Å; A47-V62 HydrophobicContact CB-CG1 4.32Å; A47-V62 HydrophobicContact CB-CG2 3.51Å |
| 48 | T | 95.8 | Very high | 88.3 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 5% | 0.049 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 117.5 | 171.5 | -52.6 | 0 | 0 | 0 | 0 | 108.5 | F35 H36 L50 A56 A58 Q59 | F35-T48 CarbonylContact C-O 3.48Å; F35-T48 VanDerWaalsContact CA-O 3.23Å; F35-T48 WeakPolarHBondContact CA-O 3.42Å; H36-T48 PolarHBondContact N-O 3.12Å; H36-T48 PolarHBondContact O-N 2.88Å; T48-L50 HydrophobicContact CG2-CD2 4.27Å; T48-A56 HydrophobicContact CG2-CB 3.53Å; T48-A58 CarbonylContact C-O 3.57Å; T48-A58 WeakPolarHBondContact CA-O 3.33Å; T48-Q59 HydrophobicContact CG2-CG 3.88Å; T48-Q59 WeakPolarHBondContact OG1-CG 3.23Å; T48-Q59 PolarHBondContact OG1-NE2 3.46Å |
| 49 | L | 95.6 | Very high | 88.7 | Confident | 23 Ų | 23 | 72 Ų | 72 | 12% | 0.12 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 135.6 | 172.1 | 175.8 | 65.3 | 0 | 0 | 0 | 109.7 | L27 D33 F35 V57 A58 | L27-L49 HydrophobicContact CD2-CB 3.98Å; D33-L49 HydrophobicContact CB-CD1 3.67Å; F35-L49 HydrophobicContact CD1-CB 4.18Å; F35-L49 HydrophobicContact CD1-CD1 4.22Å; F35-L49 HydrophobicContact CE1-CB 4.01Å; F35-L49 HydrophobicContact CE1-CD1 3.67Å; F35-L49 HydrophobicContact CE1-CG 4.42Å; F35-L49 HydrophobicContact CZ-CD1 3.9Å; L49-V57 HydrophobicContact CB-CB 4.49Å; L49-V57 HydrophobicContact CD2-CB 4.39Å; L49-V57 HydrophobicContact CD2-CG1 4.34Å; L49-V57 HydrophobicContact CG-CB 4.28Å; L49-V57 PolarHBondContact O-N 3.41Å; L49-A58 PolarHBondContact N-O 3.42Å |
| 50 | L | 95 | Very high | 88.9 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 145 | -177.4 | -53.4 | -179.1 | 0 | 0 | 0 | 111.4 | V34 H36 T48 G55 | V34-L50 HydrophobicContact CG1-CD1 4.25Å; V34-L50 WeakPolarHBondContact O-CB 3.4Å; V34-L50 PolarHBondContact O-N 2.8Å; H36-L50 HydrophobicContact CB-CD1 4.48Å; T48-L50 HydrophobicContact CG2-CD2 4.27Å; L50-G55 CarbonylContact C-O 3.56Å; L50-G55 VanDerWaalsContact CA-O 3.26Å; L50-G55 WeakPolarHBondContact CA-O 3.49Å |
| 51 | D | 92.1 | Very high | 89.1 | Confident | 75 Ų | 75 | 60 Ų | 60 | 40% | 0.401 | 34% | 0.339 | S | S | . | . | trans | -81.1 | 178.4 | 168.2 | 67.1 | 30.7 | 0 | 0 | 0 | 112.1 | A53 G54 G55 V57 | D51-A53 PolarHBondContact O-N 3.47Å; D51-A53 VanDerWaalsContact OD1-C 3.31Å; D51-A53 VanDerWaalsContact OD1-CA 3.3Å; D51-A53 WeakPolarHBondContact OD1-CA 3.36Å; D51-A53 WeakPolarHBondContact OD1-CB 3.37Å; D51-A53 PolarHBondContact OD1-N 2.92Å; D51-G54 PolarHBondContact O-N 2.84Å; D51-G54 PolarHBondContact OD1-N 2.81Å; D51-G55 PolarHBondContact N-O 3.22Å; D51-G55 PolarHBondContact OD1-N 3.26Å; D51-V57 HydrophobicContact CB-CG2 3.78Å | ||
| 52 | E | 87.4 | Confident | 89.7 | Confident | 213 Ų | 213 | 56.9 Ų | 56.9 | 100% | 0.995 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -28.2 | 179.1 | -65.4 | -173.6 | 172.1 | 0 | 0 | 113.5 | G54 | E52-G54 VanDerWaalsContact C-N 3.3Š|
| 53 | A | 86.1 | Confident | 90.4 | Very high | 101 Ų | 101 | 51.5 Ų | 51.5 | 84% | 0.835 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -5.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D51 | D51-A53 PolarHBondContact O-N 3.47Å; D51-A53 VanDerWaalsContact OD1-C 3.31Å; D51-A53 VanDerWaalsContact OD1-CA 3.3Å; D51-A53 WeakPolarHBondContact OD1-CA 3.36Å; D51-A53 WeakPolarHBondContact OD1-CB 3.37Å; D51-A53 PolarHBondContact OD1-N 2.92Å |
| 54 | G | 83.7 | Confident | 90.9 | Very high | 35 Ų | 35 | 49.1 Ų | 49.1 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 84.4 | 12.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D51 E52 | D51-G54 PolarHBondContact O-N 2.84Å; D51-G54 PolarHBondContact OD1-N 2.81Å; E52-G54 VanDerWaalsContact C-N 3.3Å |
| 55 | G | 87.5 | Confident | 90.8 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | trans | -75.1 | 145.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L50 D51 V57 | L50-G55 CarbonylContact C-O 3.56Å; L50-G55 VanDerWaalsContact CA-O 3.26Å; L50-G55 WeakPolarHBondContact CA-O 3.49Å; D51-G55 PolarHBondContact N-O 3.22Å; D51-G55 PolarHBondContact OD1-N 3.26Å; G55-V57 PolarHBondContact O-N 2.98Å | ||
| 56 | A | 91.1 | Very high | 90.7 | Very high | 77 Ų | 77 | 49 Ų | 49 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 124 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T48 | T48-A56 HydrophobicContact CG2-CB 3.53Å |
| 57 | V | 93.1 | Very high | 90.5 | Very high | 89 Ų | 89 | 46.2 Ų | 46.2 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -52.7 | -178.6 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | L49 D51 G55 | L49-V57 HydrophobicContact CB-CB 4.49Å; L49-V57 HydrophobicContact CD2-CB 4.39Å; L49-V57 HydrophobicContact CD2-CG1 4.34Å; L49-V57 HydrophobicContact CG-CB 4.28Å; L49-V57 PolarHBondContact O-N 3.41Å; D51-V57 HydrophobicContact CB-CG2 3.78Å; G55-V57 PolarHBondContact O-N 2.98Å |
| 58 | A | 93.9 | Very high | 90.2 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 31% | 0.306 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 161.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L27 T48 L49 | L27-A58 HydrophobicContact CD1-CB 3.59Å; T48-A58 CarbonylContact C-O 3.57Å; T48-A58 WeakPolarHBondContact CA-O 3.33Å; L49-A58 PolarHBondContact N-O 3.42Å |
| 59 | Q | 94.7 | Very high | 89.8 | Confident | 117 Ų | 117 | 49.1 Ų | 49.1 | 55% | 0.547 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 148.3 | 179.1 | -65.8 | -173.9 | -35.2 | 0 | 0 | 110.9 | W46 A47 T48 | W46-Q59 HydrophobicContact CZ2-CB 4.18Å; A47-Q59 VanDerWaalsContact O-CA 3.3Å; A47-Q59 WeakPolarHBondContact O-CA 2.89Å; T48-Q59 HydrophobicContact CG2-CG 3.88Å; T48-Q59 WeakPolarHBondContact OG1-CG 3.23Å; T48-Q59 PolarHBondContact OG1-NE2 3.46Å |
| 60 | G | 92.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169 | -177.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E25 A47 | E25-G60 CarbonylContact O-C 3.49Å; E25-G60 WeakPolarHBondContact O-CA 3.28Å; A47-G60 PolarHBondContact N-O 3.44Å; A47-G60 PolarHBondContact O-N 2.85Å; A47-G60 VanDerWaalsContact O-N 3.14Å |
| 61 | Y | 90.9 | Very high | 88.6 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 9% | 0.09 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 131.1 | 175.1 | -77.7 | -70.9 | 0 | 0 | 0 | 111.2 | E25 E26 L27 E41 W44 W45 W46 H180 | E25-Y61 HydrophobicContact CB-CD2 4.12Å; E25-Y61 PolarHBondContact O-N 2.89Å; E26-Y61 CarbonylContact C-O 3.49Å; E26-Y61 WeakPolarHBondContact CA-O 3.39Å; L27-Y61 PolarHBondContact N-O 3.41Å; E41-Y61 VanDerWaalsContact OE2-CE1 3.28Å; E41-Y61 WeakPolarHBondContact OE2-CE1 3.21Å; E41-Y61 PolarHBondContact OE2-OH 3.33Å; W44-Y61 HydrophobicContact CB-CD1 3.95Å; W45-Y61 WeakPolarHBondContact O-CA 3.28Å; W46-Y61 HydrophobicContact CB-CE1 4.4Å; W46-Y61 HydrophobicContact CE3-CD1 4.02Å; W46-Y61 AromaticContact CE3-CD2 3.5Å; W46-Y61 HydrophobicContact CE3-CD2 3.5Å; W46-Y61 AromaticContact CE3-CE1 4Å; W46-Y61 HydrophobicContact CE3-CE1 4Å; W46-Y61 AromaticContact CE3-CE2 3.45Å; W46-Y61 HydrophobicContact CE3-CE2 3.45Å; W46-Y61 VanDerWaalsContact CE3-CE2 3.45Å; W46-Y61 AromaticContact CE3-CG 3.79Å; W46-Y61 HydrophobicContact CE3-CG 3.79Å; W46-Y61 AromaticContact CE3-CZ 3.72Å; W46-Y61 AromaticContact CZ3-CD2 3.48Å; W46-Y61 HydrophobicContact CZ3-CD2 3.48Å; W46-Y61 VanDerWaalsContact CZ3-CD2 3.48Å; W46-Y61 AromaticContact CZ3-CE2 3.51Å; W46-Y61 HydrophobicContact CZ3-CE2 3.51Å; W46-Y61 HydrophobicContact CZ3-CG 4.17Å; Y61-H180 AromaticContact CD1-NE2 3.83Å; Y61-H180 AromaticContact CD2-CE1 3.62Å; Y61-H180 AromaticContact CD2-ND1 3.61Å; Y61-H180 AromaticContact CE1-CE1 3.8Å; Y61-H180 AromaticContact CE1-NE2 3.49Å; Y61-H180 WeakPolarHBondContact CE1-NE2 3.4Å; Y61-H180 AromaticContact CE2-CE1 3.23Å; Y61-H180 WeakPolarHBondContact CE2-CE1 3.37Å; Y61-H180 AromaticContact CE2-ND1 3.69Å; Y61-H180 AromaticContact CE2-NE2 3.82Å; Y61-H180 AromaticContact CZ-CE1 3.33Å; Y61-H180 AromaticContact CZ-NE2 3.49Å |
| 62 | V | 91.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 145 | 172.8 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | L27 F29 F35 W44 W45 A47 H64 L67 | L27-V62 HydrophobicContact CB-CG1 3.89Å; L27-V62 HydrophobicContact CD2-CG1 4.21Å; L27-V62 HydrophobicContact CG-CG1 4.36Å; F29-V62 HydrophobicContact CD1-CG1 3.9Å; F29-V62 HydrophobicContact CE1-CB 3.83Å; F29-V62 HydrophobicContact CE1-CG1 3.59Å; F35-V62 HydrophobicContact CE1-CG1 4.45Å; W44-V62 WeakPolarHBondContact CA-O 3.22Å; W45-V62 HydrophobicContact CB-CG2 4.35Å; W45-V62 PolarHBondContact N-O 2.76Å; W45-V62 WeakPolarHBondContact O-CG2 3.43Å; W45-V62 PolarHBondContact O-N 3.01Å; A47-V62 HydrophobicContact CB-CG1 4.32Å; A47-V62 HydrophobicContact CB-CG2 3.51Å; V62-H64 PolarHBondContact O-N 3.22Å; V62-L67 HydrophobicContact CB-CD1 3.82Å; V62-L67 HydrophobicContact CG2-CD1 3.45Å; V62-L67 VanDerWaalsContact CG2-CD1 3.45Å; V62-L67 HydrophobicContact CG2-CD2 3.82Å; V62-L67 HydrophobicContact CG2-CG 4.33Å |
| 63 | P | 88.1 | Confident | 88 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 127.5 | 179 | -11.9 | 24.8 | 0 | 0 | 0 | 109.6 | F19 W44 S65 Y66 L67 P177 | F19-P63 HydrophobicContact CD1-CG 4.47Å; F19-P63 HydrophobicContact CD2-CG 3.82Å; F19-P63 HydrophobicContact CE1-CG 4.37Å; F19-P63 HydrophobicContact CE2-CG 3.72Å; F19-P63 HydrophobicContact CG-CG 4.24Å; F19-P63 HydrophobicContact CZ-CG 4.03Å; W44-P63 HydrophobicContact CE3-CG 4.27Å; W44-P63 HydrophobicContact CH2-CB 4.47Å; W44-P63 HydrophobicContact CH2-CG 3.7Å; W44-P63 HydrophobicContact CZ2-CG 4.31Å; W44-P63 HydrophobicContact CZ3-CB 4.38Å; W44-P63 VanDerWaalsContact CZ3-CD 3.48Å; W44-P63 HydrophobicContact CZ3-CG 3.68Å; P63-S65 PolarHBondContact O-N 2.85Å; P63-S65 VanDerWaalsContact O-N 3.12Å; P63-Y66 HydrophobicContact CB-CD2 3.68Å; P63-Y66 HydrophobicContact CB-CE2 4.26Å; P63-Y66 HydrophobicContact CB-CG 4.27Å; P63-Y66 HydrophobicContact CG-CD2 3.91Å; P63-Y66 HydrophobicContact CG-CE2 4.26Å; P63-Y66 HydrophobicContact CG-CG 4.23Å; P63-Y66 WeakPolarHBondContact O-CB 3.38Å; P63-Y66 PolarHBondContact O-N 2.82Å; P63-L67 WeakPolarHBondContact O-CD1 3.46Å; P63-P177 HydrophobicContact CB-CB 3.74Å; P63-P177 HydrophobicContact CG-CB 3.58Å; P63-P177 HydrophobicContact CG-CG 4Å |
| 64 | H | 86.1 | Confident | 87.9 | Confident | 55 Ų | 55 | 48.8 Ų | 48.8 | 26% | 0.255 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -57.7 | -34.2 | -178.8 | 87 | -69.9 | 0 | 0 | 0 | 112.3 | Q43 W45 V62 Y66 L67 | Q43-H64 WeakPolarHBondContact CA-ND1 3.41Å; Q43-H64 PolarHBondContact O-N 2.58Å; Q43-H64 PolarHBondContact O-ND1 3.15Å; Q43-H64 PolarHBondContact OE1-CE1 2.78Å; Q43-H64 PolarHBondContact OE1-ND1 3.26Å; W45-H64 HydrophobicContact CD2-CB 3.59Å; W45-H64 HydrophobicContact CE3-CB 4.19Å; W45-H64 HydrophobicContact CG-CB 3.9Å; W45-H64 HydrophobicContact CH2-CB 4.24Å; W45-H64 HydrophobicContact CZ2-CB 3.67Å; W45-H64 HydrophobicContact CZ3-CB 4.48Å; W45-H64 VanDerWaalsContact NE1-CB 3.32Å; V62-H64 PolarHBondContact O-N 3.22Å; H64-Y66 PolarHBondContact O-N 2.79Å; H64-Y66 VanDerWaalsContact O-N 3.1Å; H64-L67 PolarHBondContact O-N 2.85Å; H64-L67 VanDerWaalsContact O-N 3.08Å |
| 65 | S | 83.6 | Confident | 87.8 | Confident | 39 Ų | 39 | 49 Ų | 49 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -67.4 | -10 | -178.6 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | W17 P63 | W17-S65 WeakPolarHBondContact CZ3-O 3.31Å; P63-S65 PolarHBondContact O-N 2.85Å; P63-S65 VanDerWaalsContact O-N 3.12Å |
| 66 | Y | 88.6 | Confident | 87.9 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -96.6 | -7.2 | 177.2 | -80.4 | -124.1 | 0 | 0 | 0 | 113.1 | L16 W17 D18 F19 F29 P63 H64 E174 P175 P177 | L16-Y66 WeakPolarHBondContact CB-O 3.3Å; L16-Y66 PolarHBondContact N-O 3.08Å; W17-Y66 HydrophobicContact CB-CD1 3.78Å; W17-Y66 HydrophobicContact CB-CE1 3.74Å; W17-Y66 HydrophobicContact CE3-CD1 4.35Å; W17-Y66 HydrophobicContact CE3-CG 4.19Å; D18-Y66 WeakPolarHBondContact O-CE1 3.49Å; F19-Y66 HydrophobicContact CB-CD1 3.81Å; F19-Y66 HydrophobicContact CB-CE1 3.87Å; F19-Y66 HydrophobicContact CD2-CD1 4.5Å; F19-Y66 HydrophobicContact CD2-CE1 4.12Å; F19-Y66 HydrophobicContact CG-CD1 4.46Å; F19-Y66 HydrophobicContact CG-CE1 4.41Å; F29-Y66 HydrophobicContact CE2-CD1 4.25Å; F29-Y66 AromaticContact CZ-CD1 3.98Å; F29-Y66 HydrophobicContact CZ-CD1 3.98Å; F29-Y66 HydrophobicContact CZ-CG 4.25Å; P63-Y66 HydrophobicContact CB-CD2 3.68Å; P63-Y66 HydrophobicContact CB-CE2 4.26Å; P63-Y66 HydrophobicContact CB-CG 4.27Å; P63-Y66 HydrophobicContact CG-CD2 3.91Å; P63-Y66 HydrophobicContact CG-CE2 4.26Å; P63-Y66 HydrophobicContact CG-CG 4.23Å; P63-Y66 WeakPolarHBondContact O-CB 3.38Å; P63-Y66 PolarHBondContact O-N 2.82Å; H64-Y66 PolarHBondContact O-N 2.79Å; H64-Y66 VanDerWaalsContact O-N 3.1Å; Y66-E174 HydrophobicContact CE1-CG 4.29Å; Y66-E174 WeakPolarHBondContact OH-CG 3.48Å; Y66-E174 PolarHBondContact OH-OE1 2.87Å; Y66-P175 HydrophobicContact CD2-CG 3.9Å; Y66-P175 HydrophobicContact CE2-CB 4.34Å; Y66-P175 HydrophobicContact CE2-CG 3.61Å; Y66-P175 WeakPolarHBondContact CE2-O 3.3Å; Y66-P175 PolarHBondContact OH-O 3.24Å; Y66-P177 HydrophobicContact CE2-CB 4.17Å; Y66-P177 HydrophobicContact CE2-CG 3.99Å; Y66-P177 WeakPolarHBondContact OH-CD 3.31Å |
| 67 | L | 88.8 | Confident | 87.7 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.2 | -175.5 | -74.5 | 82.8 | 0 | 0 | 0 | 110.1 | Y13 V14 F29 F35 V37 W45 V62 P63 H64 | Y13-L67 HydrophobicContact CD1-CB 4.4Å; V14-L67 WeakPolarHBondContact O-CA 3.5Å; F29-L67 HydrophobicContact CZ-CD1 4.25Å; F35-L67 HydrophobicContact CB-CD2 4.09Å; F35-L67 HydrophobicContact CD2-CD2 3.86Å; F35-L67 HydrophobicContact CD2-CG 4.35Å; F35-L67 HydrophobicContact CG-CD2 3.95Å; V37-L67 HydrophobicContact CG2-CD2 4.03Å; W45-L67 HydrophobicContact CE3-CB 4.47Å; W45-L67 HydrophobicContact CZ3-CB 4.3Å; V62-L67 HydrophobicContact CB-CD1 3.82Å; V62-L67 HydrophobicContact CG2-CD1 3.45Å; V62-L67 VanDerWaalsContact CG2-CD1 3.45Å; V62-L67 HydrophobicContact CG2-CD2 3.82Å; V62-L67 HydrophobicContact CG2-CG 4.33Å; P63-L67 WeakPolarHBondContact O-CD1 3.46Å; H64-L67 PolarHBondContact O-N 2.85Å; H64-L67 VanDerWaalsContact O-N 3.08Å |
| 68 | A | 87.9 | Confident | 87.7 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 147.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y13 V14 L16 R70 E74 | Y13-A68 CarbonylContact C-O 3.55Å; Y13-A68 WeakPolarHBondContact CA-O 3.22Å; Y13-A68 WeakPolarHBondContact CB-O 3.44Å; V14-A68 HydrophobicContact CG1-CB 4.33Å; V14-A68 PolarHBondContact N-O 3.45Å; V14-A68 PolarHBondContact O-N 2.95Å; V14-A68 VanDerWaalsContact O-N 3.08Å; L16-A68 HydrophobicContact CD1-CB 3.97Å; L16-A68 HydrophobicContact CD2-CB 3.84Å; L16-A68 HydrophobicContact CG-CB 4.03Å; A68-R70 PolarHBondContact O-N 3.05Å; A68-E74 HydrophobicContact CB-CB 3.83Å; A68-E74 WeakPolarHBondContact CB-O 3.26Å |
| 69 | E | 88.6 | Confident | 87.5 | Confident | 66 Ų | 66 | 45.1 Ų | 45.1 | 31% | 0.308 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 135.6 | 168.2 | -165.1 | 162.1 | 145.9 | 0 | 0 | 108.8 | P11 Y13 T72 | P11-E69 HydrophobicContact CB-CG 3.94Å; P11-E69 VanDerWaalsContact CB-OE1 3.26Å; P11-E69 WeakPolarHBondContact CB-OE1 3.42Å; Y13-E69 HydrophobicContact CD1-CB 4.08Å; Y13-E69 HydrophobicContact CE1-CB 3.67Å; Y13-E69 HydrophobicContact CE1-CG 4.13Å; Y13-E69 PolarHBondContact OH-OE2 2.9Å; E69-T72 HydrophobicContact CB-CG2 3.84Å; E69-T72 HydrophobicContact CG-CG2 3.79Å; E69-T72 PolarHBondContact O-OG1 3.16Å |
| 70 | R | 84 | Confident | 87.3 | Confident | 119 Ų | 119 | 40.4 Ų | 40.4 | 45% | 0.449 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 144 | -176.3 | -169.8 | -174.9 | 160.1 | 152.4 | 1.3 | 108.9 | K12 A68 T72 | K12-R70 HydrophobicContact CB-CB 4.34Å; K12-R70 VanDerWaalsContact O-CB 3.31Å; K12-R70 WeakPolarHBondContact O-CB 3.48Å; K12-R70 PolarHBondContact O-N 2.76Å; A68-R70 PolarHBondContact O-N 3.05Å; R70-T72 PolarHBondContact O-N 3.41Å |
| 71 | E | 81.1 | Confident | 87 | Confident | 166 Ų | 166 | 41.2 Ų | 41.2 | 78% | 0.776 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 16.6 | 179.2 | -66.6 | 156.5 | -152.2 | 0 | 0 | 114.1 | ||
| 72 | T | 83.8 | Confident | 86.6 | Confident | 39 Ų | 39 | 43.8 Ų | 43.8 | 24% | 0.239 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -112.6 | 168.9 | 171.6 | 74.3 | 0 | 0 | 0 | 0 | 111.1 | E69 R70 E74 S75 | E69-T72 HydrophobicContact CB-CG2 3.84Å; E69-T72 HydrophobicContact CG-CG2 3.79Å; E69-T72 PolarHBondContact O-OG1 3.16Å; R70-T72 PolarHBondContact O-N 3.41Å; T72-E74 WeakPolarHBondContact CB-OE2 3.45Å; T72-E74 PolarHBondContact O-N 3.03Å; T72-E74 PolarHBondContact OG1-OE2 2.83Å; T72-S75 PolarHBondContact O-N 3.26Å; T72-S75 VanDerWaalsContact O-N 3.14Å; T72-S75 PolarHBondContact O-OG 3.23Å |
| 73 | V | 83 | Confident | 86.2 | Confident | 27 Ų | 27 | 44.7 Ų | 44.7 | 16% | 0.164 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -63.2 | -24.5 | -178 | 71.8 | 0 | 0 | 0 | 0 | 112.9 | S75 E76 W78 F79 L148 | V73-S75 PolarHBondContact O-N 3.42Å; V73-E76 HydrophobicContact CG2-CG 4.35Å; V73-E76 VanDerWaalsContact O-CB 3.25Å; V73-E76 WeakPolarHBondContact O-CB 3.45Å; V73-E76 PolarHBondContact O-N 2.93Å; V73-W78 HydrophobicContact CG2-CH2 3.37Å; V73-W78 HydrophobicContact CG2-CZ2 4.29Å; V73-W78 HydrophobicContact CG2-CZ3 3.65Å; V73-F79 HydrophobicContact CB-CD2 4.46Å; V73-F79 HydrophobicContact CG1-CD1 4.47Å; V73-F79 HydrophobicContact CG1-CD2 4.07Å; V73-F79 HydrophobicContact CG1-CE1 4.28Å; V73-F79 HydrophobicContact CG1-CE2 3.88Å; V73-F79 HydrophobicContact CG1-CG 4.34Å; V73-F79 HydrophobicContact CG1-CZ 3.97Å; V73-F79 HydrophobicContact CG2-CB 4.08Å; V73-F79 HydrophobicContact CG2-CD2 3.63Å; V73-F79 HydrophobicContact CG2-CE2 4.21Å; V73-F79 HydrophobicContact CG2-CG 3.91Å; V73-F79 WeakPolarHBondContact O-CB 3.45Å; V73-F79 WeakPolarHBondContact O-CG 3.3Å; V73-L148 HydrophobicContact CB-CD1 4.47Å; V73-L148 HydrophobicContact CG1-CD1 4.45Å; V73-L148 HydrophobicContact CG2-CB 4.26Å; V73-L148 HydrophobicContact CG2-CD1 3.76Å |
| 74 | E | 82.9 | Confident | 85.9 | Confident | 83 Ų | 83 | 45.2 Ų | 45.2 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -58.8 | -29.5 | 176.7 | -68 | 76.7 | -174.8 | 0 | 0 | 112.4 | A68 T72 E76 F79 | A68-E74 HydrophobicContact CB-CB 3.83Å; A68-E74 WeakPolarHBondContact CB-O 3.26Å; T72-E74 WeakPolarHBondContact CB-OE2 3.45Å; T72-E74 PolarHBondContact O-N 3.03Å; T72-E74 PolarHBondContact OG1-OE2 2.83Å; E74-E76 VanDerWaalsContact C-N 3.3Å; E74-F79 HydrophobicContact CG-CE1 4.04Å |
| 75 | S | 83.1 | Confident | 85.9 | Confident | 40 Ų | 40 | 43.9 Ų | 43.9 | 28% | 0.28 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -78 | -12.8 | 177.4 | 70.7 | 0 | 0 | 0 | 0 | 113.6 | T72 V73 | T72-S75 PolarHBondContact O-N 3.26Å; T72-S75 VanDerWaalsContact O-N 3.14Å; T72-S75 PolarHBondContact O-OG 3.23Å; V73-S75 PolarHBondContact O-N 3.42Å |
| 76 | E | 87.9 | Confident | 85.8 | Confident | 58 Ų | 58 | 42.6 Ų | 42.6 | 27% | 0.271 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -74 | 139.7 | -176.5 | -68.8 | -75 | 162.6 | 0 | 0 | 112.1 | V73 E74 W78 F79 K172 | V73-E76 HydrophobicContact CG2-CG 4.35Å; V73-E76 VanDerWaalsContact O-CB 3.25Å; V73-E76 WeakPolarHBondContact O-CB 3.45Å; V73-E76 PolarHBondContact O-N 2.93Å; E74-E76 VanDerWaalsContact C-N 3.3Å; E76-W78 HydrophobicContact CB-CD2 4.04Å; E76-W78 HydrophobicContact CB-CG 4.47Å; E76-W78 HydrophobicContact CB-CH2 4.27Å; E76-W78 HydrophobicContact CB-CZ2 3.75Å; E76-W78 HydrophobicContact CG-CH2 4.17Å; E76-W78 HydrophobicContact CG-CZ2 3.53Å; E76-W78 PolarHBondContact O-N 3.29Å; E76-W78 PolarHBondContact OE2-NE1 3.41Å; E76-F79 HydrophobicContact CB-CB 4.16Å; E76-F79 PolarHBondContact O-N 3.31Å; E76-F79 VanDerWaalsContact O-N 3.15Å; E76-K172 PolarHBondContact O-NZ 2.81Å |
| 77 | P | 87.6 | Confident | 85.6 | Confident | 74 Ų | 74 | 43.2 Ų | 43.2 | 48% | 0.481 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -23.3 | -176.9 | 26.6 | -34.5 | 0 | 0 | 0 | 113.1 | P169 K172 | P77-P169 HydrophobicContact CG-CG 4.45Å; P77-K172 VanDerWaalsContact O-CE 3.23Å; P77-K172 WeakPolarHBondContact O-CE 3.39Å |
| 78 | W | 92.2 | Very high | 85.6 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -5.2 | 178.2 | 48.2 | -93.6 | 0 | 0 | 0 | 113.5 | V73 E76 F80 F102 L103 I104 L148 V152 P169 | V73-W78 HydrophobicContact CG2-CH2 3.37Å; V73-W78 HydrophobicContact CG2-CZ2 4.29Å; V73-W78 HydrophobicContact CG2-CZ3 3.65Å; E76-W78 HydrophobicContact CB-CD2 4.04Å; E76-W78 HydrophobicContact CB-CG 4.47Å; E76-W78 HydrophobicContact CB-CH2 4.27Å; E76-W78 HydrophobicContact CB-CZ2 3.75Å; E76-W78 HydrophobicContact CG-CH2 4.17Å; E76-W78 HydrophobicContact CG-CZ2 3.53Å; E76-W78 PolarHBondContact O-N 3.29Å; E76-W78 PolarHBondContact OE2-NE1 3.41Å; W78-F80 WeakPolarHBondContact O-CD2 3.35Å; W78-F102 HydrophobicContact CB-CD2 4.31Å; W78-F102 HydrophobicContact CB-CE2 3.59Å; W78-F102 HydrophobicContact CB-CZ 4Å; W78-F102 HydrophobicContact CD2-CE2 4.42Å; W78-F102 AromaticContact CG-CE2 3.89Å; W78-F102 HydrophobicContact CG-CE2 3.89Å; W78-F102 HydrophobicContact CG-CZ 4.22Å; W78-L103 CarbonylContact O-C 3.54Å; W78-L103 WeakPolarHBondContact O-CA 3.43Å; W78-I104 HydrophobicContact CE3-CB 3.78Å; W78-I104 HydrophobicContact CE3-CD1 3.79Å; W78-I104 HydrophobicContact CE3-CG1 3.72Å; W78-I104 HydrophobicContact CH2-CD1 4.43Å; W78-I104 HydrophobicContact CZ3-CB 3.88Å; W78-I104 HydrophobicContact CZ3-CD1 3.58Å; W78-I104 HydrophobicContact CZ3-CG1 3.93Å; W78-I104 HydrophobicContact CZ3-CG2 4.44Å; W78-I104 PolarHBondContact O-N 3.45Å; W78-L148 HydrophobicContact CH2-CB 3.57Å; W78-L148 HydrophobicContact CZ3-CB 4.06Å; W78-L148 HydrophobicContact CZ3-CD1 4.49Å; W78-V152 HydrophobicContact CD2-CG2 4.16Å; W78-V152 HydrophobicContact CE3-CG2 4.25Å; W78-V152 HydrophobicContact CH2-CG2 4.33Å; W78-V152 HydrophobicContact CZ2-CG2 4.24Å; W78-V152 HydrophobicContact CZ3-CG2 4.36Å; W78-P169 HydrophobicContact CB-CB 3.88Å; W78-P169 HydrophobicContact CB-CG 4.09Å |
| 79 | F | 91.6 | Very high | 85.7 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -95.4 | 118.1 | 179.9 | -173.9 | -97.4 | 0 | 0 | 0 | 111.6 | V73 E74 E76 I104 V106 Y114 K172 | V73-F79 HydrophobicContact CB-CD2 4.46Å; V73-F79 HydrophobicContact CG1-CD1 4.47Å; V73-F79 HydrophobicContact CG1-CD2 4.07Å; V73-F79 HydrophobicContact CG1-CE1 4.28Å; V73-F79 HydrophobicContact CG1-CE2 3.88Å; V73-F79 HydrophobicContact CG1-CG 4.34Å; V73-F79 HydrophobicContact CG1-CZ 3.97Å; V73-F79 HydrophobicContact CG2-CB 4.08Å; V73-F79 HydrophobicContact CG2-CD2 3.63Å; V73-F79 HydrophobicContact CG2-CE2 4.21Å; V73-F79 HydrophobicContact CG2-CG 3.91Å; V73-F79 WeakPolarHBondContact O-CB 3.45Å; V73-F79 WeakPolarHBondContact O-CG 3.3Å; E74-F79 HydrophobicContact CG-CE1 4.04Å; E76-F79 HydrophobicContact CB-CB 4.16Å; E76-F79 PolarHBondContact O-N 3.31Å; E76-F79 VanDerWaalsContact O-N 3.15Å; F79-I104 CarbonylContact C-O 3.57Å; F79-I104 WeakPolarHBondContact CA-O 3.42Å; F79-I104 HydrophobicContact CD2-CB 4.44Å; F79-I104 HydrophobicContact CD2-CG2 4.24Å; F79-V106 HydrophobicContact CE2-CG2 4.39Å; F79-V106 HydrophobicContact CZ-CG2 3.78Å; F79-Y114 AromaticContact CE2-CD1 3.87Å; F79-Y114 HydrophobicContact CE2-CD1 3.87Å; F79-Y114 AromaticContact CE2-CE1 3.71Å; F79-Y114 HydrophobicContact CE2-CE1 3.71Å; F79-Y114 HydrophobicContact CZ-CE1 4.13Å; F79-K172 WeakPolarHBondContact O-CE 3.39Å; F79-K172 PolarHBondContact O-NZ 2.88Å |
| 80 | F | 89.7 | Confident | 85.6 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | trans | -106.9 | 8.8 | -171.6 | -80 | -117.8 | 0 | 0 | 0 | 112.9 | W78 C82 I83 L103 I104 C170 K172 | W78-F80 WeakPolarHBondContact O-CD2 3.35Å; F80-C82 PolarHBondContact O-N 3.21Å; F80-I83 HydrophobicContact CB-CD1 3.65Å; F80-I83 HydrophobicContact CB-CG1 3.9Å; F80-I83 HydrophobicContact CB-CG2 4.41Å; F80-I83 HydrophobicContact CD1-CD1 3.95Å; F80-I83 HydrophobicContact CG-CD1 4.1Å; F80-L103 HydrophobicContact CD1-CD2 4.12Å; F80-L103 HydrophobicContact CD2-CB 3.5Å; F80-L103 HydrophobicContact CD2-CD2 4.34Å; F80-L103 HydrophobicContact CD2-CG 4.42Å; F80-L103 HydrophobicContact CE1-CD2 4.21Å; F80-L103 HydrophobicContact CE2-CB 3.68Å; F80-L103 HydrophobicContact CE2-CD2 4.45Å; F80-L103 HydrophobicContact CG-CB 4.08Å; F80-L103 HydrophobicContact CG-CD2 4.19Å; F80-L103 HydrophobicContact CZ-CB 4.37Å; F80-L103 HydrophobicContact CZ-CD2 4.38Å; F80-I104 PolarHBondContact N-O 2.91Å; F80-C170 HydrophobicContact CE2-CB 4.11Å; F80-C170 HydrophobicContact CZ-CB 3.72Å; F80-C170 WeakPolarHBondContact CZ-O 3.35Å; F80-K172 HydrophobicContact CD1-CG 4.43Å; F80-K172 HydrophobicContact CD2-CG 4.4Å; F80-K172 HydrophobicContact CE1-CG 3.83Å; F80-K172 HydrophobicContact CE2-CG 3.78Å; F80-K172 HydrophobicContact CZ-CB 4.35Å; F80-K172 HydrophobicContact CZ-CG 3.45Å; F80-K172 VanDerWaalsContact CZ-CG 3.45Å | ||
| 81 | G | 86.9 | Confident | 85.9 | Confident | 18 Ų | 18 | 42.4 Ų | 42.4 | 19% | 0.186 | 23% | 0.226 | C | C | . | . | trans | 56 | -138.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | I83 R105 V106 | G81-I83 PolarHBondContact O-N 3.32Å; G81-I83 VanDerWaalsContact O-N 3.15Å; G81-R105 CarbonylContact O-C 3.48Å; G81-R105 VanDerWaalsContact O-CA 3.3Å; G81-R105 WeakPolarHBondContact O-CA 3.25Å; G81-R105 WeakPolarHBondContact O-CB 3.23Å; G81-V106 PolarHBondContact O-N 2.97Å | ||
| 82 | C | 81.9 | Confident | 86.4 | Confident | 77 Ų | 77 | 34.5 Ų | 34.5 | 52% | 0.52 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -87.8 | 70.4 | -174.3 | -58.5 | 0 | 0 | 0 | 0 | 113.1 | F80 K245 | F80-C82 PolarHBondContact O-N 3.21Å; C82-K245 PolarHBondContact O-NZ 2.74Å |
| 83 | I | 83.8 | Confident | 86.7 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 9% | 0.092 | 20% | 0.2 | C | C | . | . | trans | -99.7 | 149.8 | 168.9 | 62 | 163.1 | 0 | 0 | 0 | 112.4 | F80 G81 E87 A88 L103 R105 | F80-I83 HydrophobicContact CB-CD1 3.65Å; F80-I83 HydrophobicContact CB-CG1 3.9Å; F80-I83 HydrophobicContact CB-CG2 4.41Å; F80-I83 HydrophobicContact CD1-CD1 3.95Å; F80-I83 HydrophobicContact CG-CD1 4.1Å; G81-I83 PolarHBondContact O-N 3.32Å; G81-I83 VanDerWaalsContact O-N 3.15Å; I83-E87 HydrophobicContact CB-CB 4.37Å; I83-E87 HydrophobicContact CB-CG 3.88Å; I83-E87 HydrophobicContact CD1-CG 4.3Å; I83-E87 HydrophobicContact CG2-CG 4.13Å; I83-A88 HydrophobicContact CD1-CB 4.01Å; I83-L103 HydrophobicContact CD1-CD1 3.86Å; I83-L103 HydrophobicContact CD1-CD2 3.92Å; I83-R105 HydrophobicContact CD1-CB 4.38Å; I83-R105 HydrophobicContact CG1-CB 3.62Å; I83-R105 HydrophobicContact CG1-CG 4.36Å; I83-R105 WeakPolarHBondContact O-CD 3.43Å | ||
| 84 | S | 80.9 | Confident | 86.9 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | trans | -71.6 | 167 | 179 | 73.7 | 0 | 0 | 0 | 0 | 111.9 | E87 A88 | S84-E87 PolarHBondContact O-N 2.92Å; S84-E87 VanDerWaalsContact OG-CB 3.28Å; S84-E87 WeakPolarHBondContact OG-CB 3.49Å; S84-E87 PolarHBondContact OG-N 3.47Å; S84-A88 PolarHBondContact O-N 3.45Å | ||
| 85 | R | 85.4 | Confident | 86.9 | Confident | 28 Ų | 28 | 43 Ų | 43 | 11% | 0.106 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 173.9 | -175.8 | -177.5 | 179.8 | 124.9 | -10.7 | 110.7 | E87 A88 V89 H126 S446 | R85-E87 VanDerWaalsContact C-N 3.3Å; R85-E87 PolarHBondContact O-N 3.32Å; R85-A88 WeakPolarHBondContact O-CB 3.01Å; R85-A88 PolarHBondContact O-N 3.39Å; R85-V89 VanDerWaalsContact O-CG2 3.31Å; R85-V89 WeakPolarHBondContact O-CG2 3.32Å; R85-V89 PolarHBondContact O-N 2.8Å; R85-H126 PolarHBondContact NE-CD2 2.78Å; R85-H126 VanDerWaalsContact NE-CD2 3.34Å; R85-H126 PolarHBondContact NE-NE2 3.25Å; R85-H126 PolarHBondContact NH2-CD2 3.21Å; R85-H126 VanDerWaalsContact NH2-CD2 3.26Å; R85-S446 PolarHBondContact NH1-O 3.11Å; R85-S446 PolarHBondContact NH2-O 2.88Å |
| 86 | S | 81.2 | Confident | 87 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 8% | 0.077 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | -179.7 | -51.4 | 0 | 0 | 0 | 0 | 112 | V89 H90 D291 T324 | S86-V89 WeakPolarHBondContact O-CB 3.34Å; S86-V89 PolarHBondContact O-N 2.93Å; S86-H90 PolarHBondContact O-N 3.12Å; S86-D291 PolarHBondContact OG-OD2 3.46Å; S86-T324 WeakPolarHBondContact CB-OG1 3.45Å; S86-T324 PolarHBondContact OG-OG1 2.91Å |
| 87 | E | 84.4 | Confident | 87.1 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -43.8 | 173.8 | 172.1 | 61.1 | 148.2 | 0 | 0 | 111.8 | I83 S84 R85 V89 H90 R91 N323 | I83-E87 HydrophobicContact CB-CB 4.37Å; I83-E87 HydrophobicContact CB-CG 3.88Å; I83-E87 HydrophobicContact CD1-CG 4.3Å; I83-E87 HydrophobicContact CG2-CG 4.13Å; S84-E87 PolarHBondContact O-N 2.92Å; S84-E87 VanDerWaalsContact OG-CB 3.28Å; S84-E87 WeakPolarHBondContact OG-CB 3.49Å; S84-E87 PolarHBondContact OG-N 3.47Å; R85-E87 VanDerWaalsContact C-N 3.3Å; R85-E87 PolarHBondContact O-N 3.32Å; E87-V89 VanDerWaalsContact C-N 3.26Å; E87-V89 PolarHBondContact O-N 2.94Å; E87-H90 PolarHBondContact O-N 2.76Å; E87-R91 HydrophobicContact CG-CG 4.47Å; E87-R91 WeakPolarHBondContact O-CB 3.08Å; E87-R91 WeakPolarHBondContact O-CG 3.34Å; E87-R91 PolarHBondContact O-N 2.66Å; E87-R91 IonicContact OE1-CZ 2.75Å; E87-R91 IonicContact OE1-NE 3.91Å; E87-R91 PolarHBondContact OE1-NE 3.45Å; E87-R91 IonicContact OE1-NH2 2.66Å; E87-R91 PolarHBondContact OE1-NH2 2.8Å; E87-R91 IonicContact OE2-NE 3.11Å; E87-N323 HydrophobicContact CB-CB 3.98Å; E87-N323 VanDerWaalsContact CD-CG 3.43Å; E87-N323 HydrophobicContact CG-CB 4.33Å; E87-N323 PolarHBondContact OE1-ND2 2.89Å; E87-N323 WeakPolarHBondContact OE2-CB 3.38Å; E87-N323 PolarHBondContact OE2-ND2 3.29Å; E87-N323 PolarHBondContact OE2-OD1 3.44Å |
| 88 | A | 89.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I83 S84 R85 L92 L103 | I83-A88 HydrophobicContact CD1-CB 4.01Å; S84-A88 PolarHBondContact O-N 3.45Å; R85-A88 WeakPolarHBondContact O-CB 3.01Å; R85-A88 PolarHBondContact O-N 3.39Å; A88-L92 VanDerWaalsContact O-CB 3.22Å; A88-L92 WeakPolarHBondContact O-CB 3.21Å; A88-L92 WeakPolarHBondContact O-CD1 3.49Å; A88-L92 WeakPolarHBondContact O-CG 3.36Å; A88-L92 PolarHBondContact O-N 2.86Å; A88-L103 HydrophobicContact CB-CD1 3.92Å; A88-L103 HydrophobicContact CB-CD2 4.28Å |
| 89 | V | 89.5 | Confident | 87.5 | Confident | 26 Ų | 26 | 45.8 Ų | 45.8 | 16% | 0.158 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -51.6 | 176.1 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | R85 S86 E87 L92 Q93 V124 | R85-V89 VanDerWaalsContact O-CG2 3.31Å; R85-V89 WeakPolarHBondContact O-CG2 3.32Å; R85-V89 PolarHBondContact O-N 2.8Å; S86-V89 WeakPolarHBondContact O-CB 3.34Å; S86-V89 PolarHBondContact O-N 2.93Å; E87-V89 VanDerWaalsContact C-N 3.26Å; E87-V89 PolarHBondContact O-N 2.94Å; V89-L92 PolarHBondContact O-N 3.2Å; V89-Q93 HydrophobicContact CG1-CG 4.27Å; V89-Q93 VanDerWaalsContact O-CB 3.28Å; V89-Q93 WeakPolarHBondContact O-CB 3.4Å; V89-Q93 VanDerWaalsContact O-CG 3.28Å; V89-Q93 WeakPolarHBondContact O-CG 3.17Å; V89-Q93 PolarHBondContact O-N 2.75Å; V89-V124 HydrophobicContact CG1-CG2 4.28Å; V89-V124 HydrophobicContact CG2-CB 4.06Å; V89-V124 HydrophobicContact CG2-CG1 4.28Å |
| 90 | H | 86.6 | Confident | 87.6 | Confident | 107 Ų | 107 | 45.4 Ų | 45.4 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.6 | -50.9 | -179 | -179.7 | -100.4 | 0 | 0 | 0 | 111.8 | S86 E87 L92 Q93 A94 N323 | S86-H90 PolarHBondContact O-N 3.12Å; E87-H90 PolarHBondContact O-N 2.76Å; H90-L92 PolarHBondContact O-N 2.85Å; H90-Q93 PolarHBondContact O-N 3.31Å; H90-A94 PolarHBondContact O-N 3.31Å; H90-N323 PolarHBondContact CE1-OD1 3.2Å; H90-N323 VanDerWaalsContact CE1-OD1 3.29Å; H90-N323 PolarHBondContact ND1-OD1 3.25Å |
| 91 | R | 89.9 | Confident | 88 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 19% | 0.192 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 177.9 | -68.6 | -172.3 | -174 | -149.4 | -0 | 111.9 | E87 Q93 A94 N97 | E87-R91 HydrophobicContact CG-CG 4.47Å; E87-R91 WeakPolarHBondContact O-CB 3.08Å; E87-R91 WeakPolarHBondContact O-CG 3.34Å; E87-R91 PolarHBondContact O-N 2.66Å; E87-R91 IonicContact OE1-CZ 2.75Å; E87-R91 IonicContact OE1-NE 3.91Å; E87-R91 PolarHBondContact OE1-NE 3.45Å; E87-R91 IonicContact OE1-NH2 2.66Å; E87-R91 PolarHBondContact OE1-NH2 2.8Å; E87-R91 IonicContact OE2-NE 3.11Å; R91-Q93 VanDerWaalsContact C-N 3.32Å; R91-Q93 PolarHBondContact O-N 2.92Å; R91-A94 VanDerWaalsContact O-CB 3.26Å; R91-A94 WeakPolarHBondContact O-CB 3.4Å; R91-A94 PolarHBondContact O-N 3.5Å; R91-N97 PolarHBondContact O-ND2 2.98Å |
| 92 | L | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.3 | -32.2 | -180 | -73.8 | 170.3 | 0 | 0 | 0 | 112.2 | A88 V89 H90 N97 T101 L103 S117 R119 V124 C170 | A88-L92 VanDerWaalsContact O-CB 3.22Å; A88-L92 WeakPolarHBondContact O-CB 3.21Å; A88-L92 WeakPolarHBondContact O-CD1 3.49Å; A88-L92 WeakPolarHBondContact O-CG 3.36Å; A88-L92 PolarHBondContact O-N 2.86Å; V89-L92 PolarHBondContact O-N 3.2Å; H90-L92 PolarHBondContact O-N 2.85Å; L92-N97 VanDerWaalsContact O-CB 3.31Å; L92-N97 WeakPolarHBondContact O-CB 3.34Å; L92-N97 PolarHBondContact O-ND2 3.5Å; L92-T101 HydrophobicContact CD2-CG2 3.81Å; L92-T101 WeakPolarHBondContact CD2-O 3.4Å; L92-L103 HydrophobicContact CD1-CD2 4.28Å; L92-L103 HydrophobicContact CD1-CG 4.16Å; L92-L103 HydrophobicContact CD2-CD2 4.37Å; L92-L103 HydrophobicContact CD2-CG 4.47Å; L92-L103 HydrophobicContact CG-CD2 4.01Å; L92-L103 HydrophobicContact CG-CG 4.32Å; L92-S117 WeakPolarHBondContact CD1-O 3.17Å; L92-R119 HydrophobicContact CB-CB 4.37Å; L92-R119 WeakPolarHBondContact O-CD 3.29Å; L92-R119 PolarHBondContact O-NH1 2.81Å; L92-V124 HydrophobicContact CB-CG1 4.47Å; L92-V124 HydrophobicContact CB-CG2 3.83Å; L92-V124 HydrophobicContact CD1-CG1 3.52Å; L92-V124 HydrophobicContact CD1-CG2 4.38Å; L92-C170 HydrophobicContact CD2-CB 3.83Å |
| 93 | Q | 90.3 | Very high | 89.2 | Confident | 99 Ų | 99 | 40.2 Ų | 40.2 | 46% | 0.463 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -82 | -11.1 | 177.7 | -71.8 | -179.2 | -21.4 | 0 | 0 | 114.1 | V89 H90 R91 R119 V124 | V89-Q93 HydrophobicContact CG1-CG 4.27Å; V89-Q93 VanDerWaalsContact O-CB 3.28Å; V89-Q93 WeakPolarHBondContact O-CB 3.4Å; V89-Q93 VanDerWaalsContact O-CG 3.28Å; V89-Q93 WeakPolarHBondContact O-CG 3.17Å; V89-Q93 PolarHBondContact O-N 2.75Å; H90-Q93 PolarHBondContact O-N 3.31Å; R91-Q93 VanDerWaalsContact C-N 3.32Å; R91-Q93 PolarHBondContact O-N 2.92Å; Q93-R119 VanDerWaalsContact C-NH1 3.3Å; Q93-R119 PolarHBondContact O-NH1 3.46Å; Q93-V124 HydrophobicContact CG-CG2 3.86Å |
| 94 | A | 87.2 | Confident | 89.7 | Confident | 34 Ų | 34 | 39.3 Ų | 39.3 | 28% | 0.281 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -53 | 153.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H90 R91 N97 R119 | H90-A94 PolarHBondContact O-N 3.31Å; R91-A94 VanDerWaalsContact O-CB 3.26Å; R91-A94 WeakPolarHBondContact O-CB 3.4Å; R91-A94 PolarHBondContact O-N 3.5Å; A94-N97 PolarHBondContact O-N 2.69Å; A94-R119 PolarHBondContact O-NH1 3.18Å |
| 95 | E | 83.8 | Confident | 90.3 | Very high | 195 Ų | 195 | 39.2 Ų | 39.2 | 91% | 0.911 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 139.8 | -179.4 | -160.5 | 173.4 | -173.5 | 0 | 0 | 111 | ||
| 96 | G | 84.6 | Confident | 90.5 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 57% | 0.567 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -9.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 97 | N | 90.4 | Very high | 90.8 | Very high | 18 Ų | 18 | 40 Ų | 40 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | trans | -87.3 | 145 | 169.7 | -70.4 | -33.2 | 0 | 0 | 0 | 110.9 | R91 L92 A94 T101 R119 | R91-N97 PolarHBondContact O-ND2 2.98Å; L92-N97 VanDerWaalsContact O-CB 3.31Å; L92-N97 WeakPolarHBondContact O-CB 3.34Å; L92-N97 PolarHBondContact O-ND2 3.5Å; A94-N97 PolarHBondContact O-N 2.69Å; N97-T101 HydrophobicContact CB-CG2 4.02Å; N97-R119 VanDerWaalsContact CB-NH1 3.3Å; N97-R119 PolarHBondContact O-NE 3.14Å; N97-R119 PolarHBondContact O-NH1 3.05Å; N97-R119 VanDerWaalsContact O-NH1 3.08Å; N97-R119 PolarHBondContact O-NH2 2.75Å | ||
| 98 | T | 92.8 | Very high | 90.4 | Very high | 89 Ų | 89 | 41.6 Ų | 41.6 | 55% | 0.546 | 23% | 0.231 | S | C | . | . | trans | -122.8 | 170.2 | -176.5 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | G100 T101 R119 | T98-G100 PolarHBondContact O-N 2.86Å; T98-T101 PolarHBondContact N-OG1 2.88Å; T98-T101 VanDerWaalsContact N-OG1 3.09Å; T98-T101 VanDerWaalsContact O-CB 3.32Å; T98-T101 WeakPolarHBondContact O-CB 3.34Å; T98-T101 PolarHBondContact O-N 2.82Å; T98-T101 PolarHBondContact O-OG1 3.47Å; T98-R119 WeakPolarHBondContact O-CD 3.28Å | ||
| 99 | T | 94.9 | Very high | 89.8 | Confident | 76 Ų | 76 | 42.2 Ų | 42.2 | 47% | 0.466 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 132.1 | 173.6 | -59.4 | 0 | 0 | 0 | 0 | 110.5 | R119 L164 | T99-R119 WeakPolarHBondContact CA-O 3.01Å; T99-L164 HydrophobicContact CG2-CD2 3.74Å |
| 100 | G | 94.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -6.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | T98 F102 R119 R165 A167 | T98-G100 PolarHBondContact O-N 2.86Å; G100-F102 PolarHBondContact O-N 2.9Å; G100-R119 PolarHBondContact N-O 3.08Å; G100-R165 WeakPolarHBondContact CA-O 3.26Å; G100-A167 PolarHBondContact O-N 3.31Å |
| 101 | T | 96.9 | Very high | 88.2 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | trans | -60.4 | 135.9 | 168 | -61.1 | 0 | 0 | 0 | 0 | 109.5 | L92 N97 T98 V118 R119 A168 C170 | L92-T101 HydrophobicContact CD2-CG2 3.81Å; L92-T101 WeakPolarHBondContact CD2-O 3.4Å; N97-T101 HydrophobicContact CB-CG2 4.02Å; T98-T101 PolarHBondContact N-OG1 2.88Å; T98-T101 VanDerWaalsContact N-OG1 3.09Å; T98-T101 VanDerWaalsContact O-CB 3.32Å; T98-T101 WeakPolarHBondContact O-CB 3.34Å; T98-T101 PolarHBondContact O-N 2.82Å; T98-T101 PolarHBondContact O-OG1 3.47Å; T101-V118 CarbonylContact O-C 3.58Å; T101-V118 WeakPolarHBondContact O-CA 3.29Å; T101-R119 PolarHBondContact O-N 3.08Å; T101-A168 CarbonylContact C-O 3.5Å; T101-A168 WeakPolarHBondContact CA-O 3.35Å; T101-C170 HydrophobicContact CG2-CB 4.09Å | ||
| 102 | F | 97.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 162.3 | -172 | 74.1 | -80.9 | 0 | 0 | 0 | 114.1 | W78 G100 L116 S117 V118 V152 L166 A168 P169 C170 | W78-F102 HydrophobicContact CB-CD2 4.31Å; W78-F102 HydrophobicContact CB-CE2 3.59Å; W78-F102 HydrophobicContact CB-CZ 4Å; W78-F102 HydrophobicContact CD2-CE2 4.42Å; W78-F102 AromaticContact CG-CE2 3.89Å; W78-F102 HydrophobicContact CG-CE2 3.89Å; W78-F102 HydrophobicContact CG-CZ 4.22Å; G100-F102 PolarHBondContact O-N 2.9Å; F102-L116 HydrophobicContact CB-CD1 4.14Å; F102-L116 HydrophobicContact CD2-CD1 3.8Å; F102-L116 HydrophobicContact CG-CD1 4.36Å; F102-S117 CarbonylContact C-O 3.55Å; F102-S117 VanDerWaalsContact CA-O 3.22Å; F102-S117 WeakPolarHBondContact CA-O 3.49Å; F102-S117 WeakPolarHBondContact CB-O 3.49Å; F102-V118 HydrophobicContact CB-CG1 4.41Å; F102-V118 HydrophobicContact CB-CG2 4.11Å; F102-V152 HydrophobicContact CE2-CG1 3.79Å; F102-V152 HydrophobicContact CE2-CG2 3.95Å; F102-V152 HydrophobicContact CZ-CG1 3.55Å; F102-L166 HydrophobicContact CB-CD2 3.76Å; F102-L166 HydrophobicContact CD1-CB 3.83Å; F102-L166 HydrophobicContact CD1-CD2 4.08Å; F102-L166 HydrophobicContact CD1-CG 4.36Å; F102-L166 HydrophobicContact CD2-CD1 4.21Å; F102-L166 HydrophobicContact CD2-CD2 4.3Å; F102-L166 HydrophobicContact CE1-CB 3.93Å; F102-L166 HydrophobicContact CE2-CD1 4.24Å; F102-L166 HydrophobicContact CG-CB 4.36Å; F102-L166 HydrophobicContact CG-CD1 4.38Å; F102-L166 HydrophobicContact CG-CD2 3.79Å; F102-L166 HydrophobicContact CG-CG 4.39Å; F102-L166 HydrophobicContact CZ-CD1 4.43Å; F102-A168 WeakPolarHBondContact CD1-O 3.38Å; F102-A168 PolarHBondContact N-O 2.97Å; F102-P169 HydrophobicContact CZ-CG 4.45Å; F102-P169 CarbonylContact O-C 3.56Å; F102-P169 WeakPolarHBondContact O-CA 3.4Å; F102-C170 PolarHBondContact O-N 3.39Å |
| 103 | L | 96.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 155.8 | 167.1 | 59.7 | 81.3 | 0 | 0 | 0 | 110.3 | W78 F80 I83 A88 L92 R105 S117 C170 | W78-L103 CarbonylContact O-C 3.54Å; W78-L103 WeakPolarHBondContact O-CA 3.43Å; F80-L103 HydrophobicContact CD1-CD2 4.12Å; F80-L103 HydrophobicContact CD2-CB 3.5Å; F80-L103 HydrophobicContact CD2-CD2 4.34Å; F80-L103 HydrophobicContact CD2-CG 4.42Å; F80-L103 HydrophobicContact CE1-CD2 4.21Å; F80-L103 HydrophobicContact CE2-CB 3.68Å; F80-L103 HydrophobicContact CE2-CD2 4.45Å; F80-L103 HydrophobicContact CG-CB 4.08Å; F80-L103 HydrophobicContact CG-CD2 4.19Å; F80-L103 HydrophobicContact CZ-CB 4.37Å; F80-L103 HydrophobicContact CZ-CD2 4.38Å; I83-L103 HydrophobicContact CD1-CD1 3.86Å; I83-L103 HydrophobicContact CD1-CD2 3.92Å; A88-L103 HydrophobicContact CB-CD1 3.92Å; A88-L103 HydrophobicContact CB-CD2 4.28Å; L92-L103 HydrophobicContact CD1-CD2 4.28Å; L92-L103 HydrophobicContact CD1-CG 4.16Å; L92-L103 HydrophobicContact CD2-CD2 4.37Å; L92-L103 HydrophobicContact CD2-CG 4.47Å; L92-L103 HydrophobicContact CG-CD2 4.01Å; L92-L103 HydrophobicContact CG-CG 4.32Å; L103-R105 HydrophobicContact CD1-CB 4.22Å; L103-R105 HydrophobicContact CD1-CG 4.28Å; L103-S117 PolarHBondContact N-O 2.94Å; L103-S117 PolarHBondContact O-N 2.86Å; L103-C170 HydrophobicContact CB-CB 4.11Å; L103-C170 HydrophobicContact CD2-CB 4.04Å |
| 104 | I | 96 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.5 | 168.3 | -58.4 | -166.4 | 0 | 0 | 0 | 108.2 | W78 F79 F80 Y114 I115 L116 I129 L148 V152 | W78-I104 HydrophobicContact CE3-CB 3.78Å; W78-I104 HydrophobicContact CE3-CD1 3.79Å; W78-I104 HydrophobicContact CE3-CG1 3.72Å; W78-I104 HydrophobicContact CH2-CD1 4.43Å; W78-I104 HydrophobicContact CZ3-CB 3.88Å; W78-I104 HydrophobicContact CZ3-CD1 3.58Å; W78-I104 HydrophobicContact CZ3-CG1 3.93Å; W78-I104 HydrophobicContact CZ3-CG2 4.44Å; W78-I104 PolarHBondContact O-N 3.45Å; F79-I104 CarbonylContact C-O 3.57Å; F79-I104 WeakPolarHBondContact CA-O 3.42Å; F79-I104 HydrophobicContact CD2-CB 4.44Å; F79-I104 HydrophobicContact CD2-CG2 4.24Å; F80-I104 PolarHBondContact N-O 2.91Å; I104-Y114 HydrophobicContact CG2-CD1 4.35Å; I104-Y114 HydrophobicContact CG2-CG 4.42Å; I104-I115 WeakPolarHBondContact CA-O 3.18Å; I104-L116 HydrophobicContact CD1-CD1 4.35Å; I104-L116 HydrophobicContact CG1-CB 4.49Å; I104-L116 HydrophobicContact CG1-CD1 3.87Å; I104-I129 HydrophobicContact CD1-CD1 3.98Å; I104-I129 HydrophobicContact CG2-CD1 4.22Å; I104-L148 HydrophobicContact CD1-CD2 4.08Å; I104-L148 HydrophobicContact CG2-CD1 4.38Å; I104-L148 HydrophobicContact CG2-CD2 4.44Å; I104-V152 HydrophobicContact CD1-CG2 3.68Å |
| 105 | R | 93 | Very high | 88 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 3% | 0.034 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 154 | 178.6 | 60.8 | -174.1 | -179.1 | 77.9 | -0.1 | 109.9 | G81 I83 L103 Y114 I115 S117 | G81-R105 CarbonylContact O-C 3.48Å; G81-R105 VanDerWaalsContact O-CA 3.3Å; G81-R105 WeakPolarHBondContact O-CA 3.25Å; G81-R105 WeakPolarHBondContact O-CB 3.23Å; I83-R105 HydrophobicContact CD1-CB 4.38Å; I83-R105 HydrophobicContact CG1-CB 3.62Å; I83-R105 HydrophobicContact CG1-CG 4.36Å; I83-R105 WeakPolarHBondContact O-CD 3.43Å; L103-R105 HydrophobicContact CD1-CB 4.22Å; L103-R105 HydrophobicContact CD1-CG 4.28Å; R105-Y114 CarbonylContact O-C 3.25Å; R105-Y114 VanDerWaalsContact O-CA 3.32Å; R105-Y114 WeakPolarHBondContact O-CA 3.38Å; R105-I115 HydrophobicContact CG-CB 3.96Å; R105-I115 PolarHBondContact N-O 3.05Å; R105-I115 PolarHBondContact O-N 3.29Å; R105-S117 PolarHBondContact NE-OG 3.1Å |
| 106 | V | 89.9 | Confident | 88.5 | Confident | 41 Ų | 41 | 29.9 Ų | 29.9 | 25% | 0.248 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 136.8 | 169.7 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | F79 G81 E108 D113 Y114 | F79-V106 HydrophobicContact CE2-CG2 4.39Å; F79-V106 HydrophobicContact CZ-CG2 3.78Å; G81-V106 PolarHBondContact O-N 2.97Å; V106-E108 PolarHBondContact O-N 3.12Å; V106-D113 WeakPolarHBondContact CA-O 3.3Å; V106-Y114 HydrophobicContact CG2-CD1 4.4Å; V106-Y114 HydrophobicContact CG2-CE1 4.29Å |
| 107 | S | 86.3 | Confident | 89.1 | Confident | 14 Ų | 14 | 27.3 Ų | 27.3 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | trans | -79.7 | 113.9 | 172.3 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | K109 A112 D113 | S107-K109 PolarHBondContact O-N 2.82Å; S107-K109 PolarHBondContact OG-N 3.03Å; S107-K109 PolarHBondContact OG-O 2.9Å; S107-A112 WeakPolarHBondContact CB-O 3.5Å; S107-A112 PolarHBondContact OG-O 2.7Å; S107-D113 PolarHBondContact N-O 2.82Å | ||
| 108 | E | 77 | Confident | 89.3 | Confident | 53 Ų | 53 | 26.4 Ų | 26.4 | 25% | 0.248 | 16% | 0.162 | C | C | . | . | trans | -76.2 | -6.2 | 169.3 | -57.5 | 178.2 | 117.2 | 0 | 0 | 111.5 | V106 K245 W294 | V106-E108 PolarHBondContact O-N 3.12Å; E108-K245 IonicContact OE1-NZ 2.98Å; E108-K245 PolarHBondContact OE1-NZ 3.36Å; E108-K245 IonicContact OE2-NZ 3.65Å; E108-K245 PolarHBondContact OE2-NZ 3.36Å; E108-W294 HydrophobicContact CB-CH2 3.57Å; E108-W294 HydrophobicContact CB-CZ2 4.21Å; E108-W294 HydrophobicContact CB-CZ3 4.42Å; E108-W294 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 109 | K | 76.6 | Confident | 89.5 | Confident | 14 Ų | 14 | 25 Ų | 25 | 6% | 0.061 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -100.2 | 136.5 | -176.8 | -78.3 | 176.7 | -174.8 | 169.4 | 0 | 110.7 | S107 D291 W294 S442 | S107-K109 PolarHBondContact O-N 2.82Å; S107-K109 PolarHBondContact OG-N 3.03Å; S107-K109 PolarHBondContact OG-O 2.9Å; K109-D291 IonicContact NZ-OD1 2.85Å; K109-D291 PolarHBondContact NZ-OD1 3.39Å; K109-D291 VanDerWaalsContact NZ-OD1 3.08Å; K109-W294 HydrophobicContact CG-CD2 4.45Å; K109-W294 HydrophobicContact CG-CZ2 3.91Å; K109-S442 VanDerWaalsContact CB-OG 3.29Å; K109-S442 WeakPolarHBondContact CB-OG 3.18Å; K109-S442 WeakPolarHBondContact CG-OG 3.47Å |
| 110 | P | 70.1 | Confident | 89.3 | Confident | 64 Ų | 64 | 22.7 Ų | 22.7 | 42% | 0.416 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 144.6 | 177.8 | -25.1 | 32.7 | 0 | 0 | 0 | 113.3 | E439 | P110-E439 HydrophobicContact CG-CG 4.33Š|
| 111 | G | 73.3 | Confident | 88.9 | Confident | 55 Ų | 55 | 26.5 Ų | 26.5 | 57% | 0.567 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | 12.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116 | W130 | G111-W130 PolarHBondContact O-NE1 3.19Š|
| 112 | A | 81.1 | Confident | 88.3 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 7% | 0.066 | 20% | 0.202 | C | C | . | . | trans | -159.7 | 154.5 | 162 | 0 | 0 | 0 | 0 | 0 | 107.8 | S107 I115 K128 | S107-A112 WeakPolarHBondContact CB-O 3.5Å; S107-A112 PolarHBondContact OG-O 2.7Å; A112-I115 HydrophobicContact CB-CD1 4.2Å; A112-K128 HydrophobicContact CB-CB 3.81Å; A112-K128 HydrophobicContact CB-CD 4.03Å; A112-K128 HydrophobicContact CB-CG 3.87Å | ||
| 113 | D | 85.6 | Confident | 87.9 | Confident | 82 Ų | 82 | 36.4 Ų | 36.4 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -96.9 | -33.4 | 178.7 | -74.2 | 9.5 | 0 | 0 | 0 | 111.3 | V106 S107 I129 W131 | V106-D113 WeakPolarHBondContact CA-O 3.3Å; S107-D113 PolarHBondContact N-O 2.82Å; D113-I129 PolarHBondContact N-O 2.98Å; D113-W131 PolarHBondContact OD2-NE1 2.71Å |
| 114 | Y | 92.9 | Very high | 87.7 | Confident | 44 Ų | 44 | 37.1 Ų | 37.1 | 17% | 0.173 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 153.4 | 177.8 | -51.6 | -78.2 | 0 | 0 | 0 | 111.2 | F79 I104 R105 V106 I129 W131 L137 L148 | F79-Y114 AromaticContact CE2-CD1 3.87Å; F79-Y114 HydrophobicContact CE2-CD1 3.87Å; F79-Y114 AromaticContact CE2-CE1 3.71Å; F79-Y114 HydrophobicContact CE2-CE1 3.71Å; F79-Y114 HydrophobicContact CZ-CE1 4.13Å; I104-Y114 HydrophobicContact CG2-CD1 4.35Å; I104-Y114 HydrophobicContact CG2-CG 4.42Å; R105-Y114 CarbonylContact O-C 3.25Å; R105-Y114 VanDerWaalsContact O-CA 3.32Å; R105-Y114 WeakPolarHBondContact O-CA 3.38Å; V106-Y114 HydrophobicContact CG2-CD1 4.4Å; V106-Y114 HydrophobicContact CG2-CE1 4.29Å; Y114-I129 WeakPolarHBondContact O-CG1 3.42Å; Y114-I129 PolarHBondContact O-N 2.96Å; Y114-W131 HydrophobicContact CE2-CZ2 4.1Å; Y114-L137 HydrophobicContact CD2-CD2 4.27Å; Y114-L137 HydrophobicContact CE2-CD2 4.4Å; Y114-L148 HydrophobicContact CD1-CD1 3.96Å; Y114-L148 HydrophobicContact CD2-CD1 3.92Å; Y114-L148 HydrophobicContact CD2-CD2 4.05Å; Y114-L148 HydrophobicContact CD2-CG 4.37Å; Y114-L148 HydrophobicContact CE1-CD1 3.9Å; Y114-L148 HydrophobicContact CE2-CD1 3.87Å; Y114-L148 HydrophobicContact CE2-CG 4.45Å; Y114-L148 HydrophobicContact CG-CD1 3.96Å; Y114-L148 HydrophobicContact CG-CD2 4.26Å |
| 115 | I | 94.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123.9 | 171.3 | -51.4 | -61.6 | 0 | 0 | 0 | 108.7 | I104 R105 A112 H126 Y127 K128 Y447 | I104-I115 WeakPolarHBondContact CA-O 3.18Å; R105-I115 HydrophobicContact CG-CB 3.96Å; R105-I115 PolarHBondContact N-O 3.05Å; R105-I115 PolarHBondContact O-N 3.29Å; A112-I115 HydrophobicContact CB-CD1 4.2Å; I115-H126 HydrophobicContact CG2-CB 4.03Å; I115-Y127 CarbonylContact C-O 3.53Å; I115-Y127 WeakPolarHBondContact CA-O 3.06Å; I115-K128 HydrophobicContact CD1-CB 4.32Å; I115-K128 HydrophobicContact CD1-CG 3.75Å; I115-Y447 HydrophobicContact CD1-CD1 4.35Å; I115-Y447 HydrophobicContact CD1-CE1 3.69Å; I115-Y447 HydrophobicContact CG1-CE1 4.43Å; I115-Y447 HydrophobicContact CG2-CE1 4.38Å |
| 116 | L | 95.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 121.4 | 165.7 | 171.7 | 64.4 | 0 | 0 | 0 | 108.6 | F102 I104 V118 H126 Y127 I129 L139 L160 L166 | F102-L116 HydrophobicContact CB-CD1 4.14Å; F102-L116 HydrophobicContact CD2-CD1 3.8Å; F102-L116 HydrophobicContact CG-CD1 4.36Å; I104-L116 HydrophobicContact CD1-CD1 4.35Å; I104-L116 HydrophobicContact CG1-CB 4.49Å; I104-L116 HydrophobicContact CG1-CD1 3.87Å; L116-V118 HydrophobicContact CD1-CG2 4.01Å; L116-V118 HydrophobicContact CD2-CG2 4.23Å; L116-V118 HydrophobicContact CG-CG2 3.78Å; L116-H126 CarbonylContact O-C 3.54Å; L116-H126 WeakPolarHBondContact O-CA 3.31Å; L116-Y127 HydrophobicContact CD2-CD2 4.48Å; L116-Y127 HydrophobicContact CG-CD2 4.43Å; L116-Y127 PolarHBondContact N-O 2.92Å; L116-Y127 PolarHBondContact O-N 3.42Å; L116-I129 HydrophobicContact CB-CD1 4.05Å; L116-I129 HydrophobicContact CB-CG1 4.38Å; L116-L139 HydrophobicContact CD2-CD1 4.03Å; L116-L160 HydrophobicContact CD2-CD1 4.11Å; L116-L160 HydrophobicContact CD2-CD2 4.48Å; L116-L166 HydrophobicContact CD1-CD1 4.39Å; L116-L166 HydrophobicContact CD1-CD2 4.13Å; L116-L166 HydrophobicContact CD2-CD1 4.38Å; L116-L166 HydrophobicContact CD2-CD2 4.25Å |
| 117 | S | 95.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.2 | 176.1 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | L92 F102 L103 R105 R125 H126 | L92-S117 WeakPolarHBondContact CD1-O 3.17Å; F102-S117 CarbonylContact C-O 3.55Å; F102-S117 VanDerWaalsContact CA-O 3.22Å; F102-S117 WeakPolarHBondContact CA-O 3.49Å; F102-S117 WeakPolarHBondContact CB-O 3.49Å; L103-S117 PolarHBondContact N-O 2.94Å; L103-S117 PolarHBondContact O-N 2.86Å; R105-S117 PolarHBondContact NE-OG 3.1Å; S117-R125 CarbonylContact C-O 3.56Å; S117-R125 VanDerWaalsContact CA-O 3.3Å; S117-R125 WeakPolarHBondContact CA-O 3.45Å; S117-H126 PolarHBondContact OG-ND1 2.94Å |
| 118 | V | 96.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.9 | -171.7 | -168.9 | 0 | 0 | 0 | 0 | 110.3 | T101 F102 L116 D120 V124 R125 Y127 L160 L166 | T101-V118 CarbonylContact O-C 3.58Å; T101-V118 WeakPolarHBondContact O-CA 3.29Å; F102-V118 HydrophobicContact CB-CG1 4.41Å; F102-V118 HydrophobicContact CB-CG2 4.11Å; L116-V118 HydrophobicContact CD1-CG2 4.01Å; L116-V118 HydrophobicContact CD2-CG2 4.23Å; L116-V118 HydrophobicContact CG-CG2 3.78Å; V118-D120 PolarHBondContact O-N 3.44Å; V118-V124 CarbonylContact O-C 3.52Å; V118-V124 WeakPolarHBondContact O-CA 3.31Å; V118-R125 PolarHBondContact N-O 3Å; V118-R125 PolarHBondContact O-N 2.73Å; V118-Y127 HydrophobicContact CG2-CD2 4.29Å; V118-Y127 HydrophobicContact CG2-CE2 4.1Å; V118-L160 HydrophobicContact CG2-CD1 4.01Å; V118-L166 HydrophobicContact CG1-CD2 4.15Å; V118-L166 HydrophobicContact CG2-CD2 3.68Å |
| 119 | R | 95.1 | Very high | 88.7 | Confident | 58 Ų | 58 | 36 Ų | 36 | 22% | 0.219 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 120 | 172.7 | -173.1 | -178.9 | -175.9 | 142.4 | -13.2 | 109.8 | L92 Q93 A94 N97 T98 T99 G100 T101 | L92-R119 HydrophobicContact CB-CB 4.37Å; L92-R119 WeakPolarHBondContact O-CD 3.29Å; L92-R119 PolarHBondContact O-NH1 2.81Å; Q93-R119 VanDerWaalsContact C-NH1 3.3Å; Q93-R119 PolarHBondContact O-NH1 3.46Å; A94-R119 PolarHBondContact O-NH1 3.18Å; N97-R119 VanDerWaalsContact CB-NH1 3.3Å; N97-R119 PolarHBondContact O-NE 3.14Å; N97-R119 PolarHBondContact O-NH1 3.05Å; N97-R119 VanDerWaalsContact O-NH1 3.08Å; N97-R119 PolarHBondContact O-NH2 2.75Å; T98-R119 WeakPolarHBondContact O-CD 3.28Å; T99-R119 WeakPolarHBondContact CA-O 3.01Å; G100-R119 PolarHBondContact N-O 3.08Å; T101-R119 PolarHBondContact O-N 3.08Å |
| 120 | D | 91.9 | Very high | 89.4 | Confident | 29 Ų | 29 | 39 Ų | 39 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | trans | -100.1 | 170.7 | 167.6 | -174.8 | 12.4 | 0 | 0 | 0 | 109.1 | V118 Q122 A123 R125 L164 | V118-D120 PolarHBondContact O-N 3.44Å; D120-Q122 PolarHBondContact O-N 2.74Å; D120-A123 CarbonylContact C-O 3.56Å; D120-A123 WeakPolarHBondContact CA-O 3.47Å; D120-A123 VanDerWaalsContact CB-O 3.31Å; D120-A123 WeakPolarHBondContact CB-O 3.3Å; D120-A123 PolarHBondContact N-O 3.34Å; D120-R125 HydrophobicContact CB-CG 3.93Å; D120-R125 IonicContact OD2-CZ 3.58Å; D120-R125 IonicContact OD2-NE 3.05Å; D120-R125 PolarHBondContact OD2-NE 3.27Å; D120-R125 IonicContact OD2-NH2 3.85Å; D120-R125 PolarHBondContact OD2-NH2 3.46Å; D120-R125 VanDerWaalsContact OD2-NH2 3.16Å; D120-L164 HydrophobicContact CB-CD1 3.98Å; D120-L164 HydrophobicContact CB-CD2 4.06Å | ||
| 121 | A | 86 | Confident | 90.2 | Very high | 82 Ų | 82 | 41.3 Ų | 41.3 | 68% | 0.678 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -59.3 | -33.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 122 | Q | 83.1 | Confident | 90.8 | Very high | 180 Ų | 180 | 45.2 Ų | 45.2 | 84% | 0.841 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -116.7 | -15 | -174.3 | -63.9 | -177.5 | -4.5 | 0 | 0 | 114.1 | D120 | D120-Q122 PolarHBondContact O-N 2.74Š|
| 123 | A | 88.9 | Confident | 90.6 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 26% | 0.264 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -155.1 | 179.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D120 | D120-A123 CarbonylContact C-O 3.56Å; D120-A123 WeakPolarHBondContact CA-O 3.47Å; D120-A123 VanDerWaalsContact CB-O 3.31Å; D120-A123 WeakPolarHBondContact CB-O 3.3Å; D120-A123 PolarHBondContact N-O 3.34Å |
| 124 | V | 91.9 | Very high | 90.2 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 9% | 0.085 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.4 | 165.8 | 173.7 | 0 | 0 | 0 | 0 | 107.9 | V89 L92 Q93 V118 H126 | V89-V124 HydrophobicContact CG1-CG2 4.28Å; V89-V124 HydrophobicContact CG2-CB 4.06Å; V89-V124 HydrophobicContact CG2-CG1 4.28Å; L92-V124 HydrophobicContact CB-CG1 4.47Å; L92-V124 HydrophobicContact CB-CG2 3.83Å; L92-V124 HydrophobicContact CD1-CG1 3.52Å; L92-V124 HydrophobicContact CD1-CG2 4.38Å; Q93-V124 HydrophobicContact CG-CG2 3.86Å; V118-V124 CarbonylContact O-C 3.52Å; V118-V124 WeakPolarHBondContact O-CA 3.31Å; V124-H126 PolarHBondContact O-CD2 3.14Å |
| 125 | R | 93.1 | Very high | 89.9 | Confident | 51 Ų | 51 | 49.2 Ų | 49.2 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 141 | -178.5 | -60 | -61.3 | 177 | 177.2 | 1 | 109.3 | S117 V118 D120 Y127 L164 E448 | S117-R125 CarbonylContact C-O 3.56Å; S117-R125 VanDerWaalsContact CA-O 3.3Å; S117-R125 WeakPolarHBondContact CA-O 3.45Å; V118-R125 PolarHBondContact N-O 3Å; V118-R125 PolarHBondContact O-N 2.73Å; D120-R125 HydrophobicContact CB-CG 3.93Å; D120-R125 IonicContact OD2-CZ 3.58Å; D120-R125 IonicContact OD2-NE 3.05Å; D120-R125 PolarHBondContact OD2-NE 3.27Å; D120-R125 IonicContact OD2-NH2 3.85Å; D120-R125 PolarHBondContact OD2-NH2 3.46Å; D120-R125 VanDerWaalsContact OD2-NH2 3.16Å; R125-Y127 HydrophobicContact CB-CE2 3.72Å; R125-L164 HydrophobicContact CB-CD1 4.23Å; R125-L164 HydrophobicContact CG-CD1 3.66Å; R125-E448 HydrophobicContact CB-CG 4Å; R125-E448 VanDerWaalsContact CD-OE1 3.23Å; R125-E448 WeakPolarHBondContact CD-OE1 3.41Å; R125-E448 HydrophobicContact CG-CG 4.45Å; R125-E448 IonicContact CZ-OE1 3.75Å; R125-E448 IonicContact NE-OE1 3.91Å; R125-E448 IonicContact NH1-OE1 3.75Å; R125-E448 PolarHBondContact NH1-OE1 3.46Å |
| 126 | H | 92.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.7 | -176.4 | -57.1 | -87.8 | 0 | 0 | 0 | 110.8 | R85 I115 L116 S117 V124 Y447 E448 | R85-H126 PolarHBondContact NE-CD2 2.78Å; R85-H126 VanDerWaalsContact NE-CD2 3.34Å; R85-H126 PolarHBondContact NE-NE2 3.25Å; R85-H126 PolarHBondContact NH2-CD2 3.21Å; R85-H126 VanDerWaalsContact NH2-CD2 3.26Å; I115-H126 HydrophobicContact CG2-CB 4.03Å; L116-H126 CarbonylContact O-C 3.54Å; L116-H126 WeakPolarHBondContact O-CA 3.31Å; S117-H126 PolarHBondContact OG-ND1 2.94Å; V124-H126 PolarHBondContact O-CD2 3.14Å; H126-Y447 HydrophobicContact CB-CD1 4.15Å; H126-Y447 HydrophobicContact CB-CE1 4.5Å; H126-Y447 WeakPolarHBondContact O-CA 3.34Å; H126-E448 PolarHBondContact O-N 2.72Å |
| 127 | Y | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.8 | -177 | -55.9 | -95.4 | 0 | 0 | 0 | 109.3 | I115 L116 V118 R125 L160 S161 E448 | I115-Y127 CarbonylContact C-O 3.53Å; I115-Y127 WeakPolarHBondContact CA-O 3.06Å; L116-Y127 HydrophobicContact CD2-CD2 4.48Å; L116-Y127 HydrophobicContact CG-CD2 4.43Å; L116-Y127 PolarHBondContact N-O 2.92Å; L116-Y127 PolarHBondContact O-N 3.42Å; V118-Y127 HydrophobicContact CG2-CD2 4.29Å; V118-Y127 HydrophobicContact CG2-CE2 4.1Å; R125-Y127 HydrophobicContact CB-CE2 3.72Å; Y127-L160 HydrophobicContact CD2-CD1 4.46Å; Y127-L160 HydrophobicContact CE1-CB 4.32Å; Y127-L160 HydrophobicContact CE2-CD1 4.01Å; Y127-S161 VanDerWaalsContact CE1-OG 3.23Å; Y127-S161 WeakPolarHBondContact CE1-OG 3.25Å; Y127-S161 PolarHBondContact OH-O 2.78Å; Y127-S161 PolarHBondContact OH-OG 2.97Å; Y127-E448 HydrophobicContact CD1-CB 3.95Å; Y127-E448 HydrophobicContact CE1-CB 3.59Å; Y127-E448 VanDerWaalsContact CE1-O 3.26Å; Y127-E448 WeakPolarHBondContact CE1-O 3.33Å; Y127-E448 HydrophobicContact CE2-CB 4.41Å |
| 128 | K | 92.4 | Very high | 89.3 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 138.9 | 170.1 | -70.6 | -176.9 | 172.2 | -174.7 | 0 | 110.1 | A112 I115 W130 L139 Y447 N449 | A112-K128 HydrophobicContact CB-CB 3.81Å; A112-K128 HydrophobicContact CB-CD 4.03Å; A112-K128 HydrophobicContact CB-CG 3.87Å; I115-K128 HydrophobicContact CD1-CB 4.32Å; I115-K128 HydrophobicContact CD1-CG 3.75Å; K128-W130 HydrophobicContact CB-CD2 4.2Å; K128-W130 HydrophobicContact CB-CH2 4.06Å; K128-W130 HydrophobicContact CB-CZ2 3.51Å; K128-W130 HydrophobicContact CD-CZ2 3.66Å; K128-W130 HydrophobicContact CG-CZ2 4.18Å; K128-L139 WeakPolarHBondContact O-CD2 3.23Å; K128-Y447 HydrophobicContact CD-CD1 4.42Å; K128-Y447 HydrophobicContact CD-CD2 4.2Å; K128-Y447 HydrophobicContact CD-CE2 4.44Å; K128-Y447 HydrophobicContact CD-CG 4.18Å; K128-Y447 HydrophobicContact CG-CD1 3.64Å; K128-Y447 HydrophobicContact CG-CD2 4.29Å; K128-Y447 HydrophobicContact CG-CE1 3.94Å; K128-Y447 HydrophobicContact CG-CG 3.83Å; K128-N449 WeakPolarHBondContact CB-OD1 3.46Å; K128-N449 PolarHBondContact N-ND2 2.94Å; K128-N449 PolarHBondContact N-OD1 3.21Å; K128-N449 PolarHBondContact O-ND2 3Å |
| 129 | I | 93 | Very high | 89 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122 | 170.9 | -39.5 | -170.5 | 0 | 0 | 0 | 107.4 | I104 D113 Y114 L116 L137 H138 L139 L148 L151 | I104-I129 HydrophobicContact CD1-CD1 3.98Å; I104-I129 HydrophobicContact CG2-CD1 4.22Å; D113-I129 PolarHBondContact N-O 2.98Å; Y114-I129 WeakPolarHBondContact O-CG1 3.42Å; Y114-I129 PolarHBondContact O-N 2.96Å; L116-I129 HydrophobicContact CB-CD1 4.05Å; L116-I129 HydrophobicContact CB-CG1 4.38Å; I129-L137 HydrophobicContact CG2-CB 4.16Å; I129-L137 HydrophobicContact CG2-CD2 3.95Å; I129-H138 WeakPolarHBondContact CA-O 3.42Å; I129-L139 HydrophobicContact CB-CD2 4.2Å; I129-L139 HydrophobicContact CD1-CD2 4.3Å; I129-L139 HydrophobicContact CG1-CD2 3.63Å; I129-L139 HydrophobicContact CG2-CD2 4.32Å; I129-L148 HydrophobicContact CD1-CD2 3.68Å; I129-L148 HydrophobicContact CG2-CD2 4.24Å; I129-L151 HydrophobicContact CD1-CD1 4.28Å; I129-L151 HydrophobicContact CD1-CD2 4.48Å; I129-L151 HydrophobicContact CG2-CD1 3.62Å |
| 130 | W | 90.4 | Very high | 88.5 | Confident | 78 Ų | 78 | 52.8 Ų | 52.8 | 30% | 0.295 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 155.9 | -176.6 | -62.1 | -72.1 | 0 | 0 | 0 | 111.9 | G111 K128 L137 H138 L139 N449 | G111-W130 PolarHBondContact O-NE1 3.19Å; K128-W130 HydrophobicContact CB-CD2 4.2Å; K128-W130 HydrophobicContact CB-CH2 4.06Å; K128-W130 HydrophobicContact CB-CZ2 3.51Å; K128-W130 HydrophobicContact CD-CZ2 3.66Å; K128-W130 HydrophobicContact CG-CZ2 4.18Å; W130-L137 CarbonylContact O-C 3.6Å; W130-L137 VanDerWaalsContact O-CA 3.27Å; W130-L137 WeakPolarHBondContact O-CA 3.46Å; W130-H138 VanDerWaalsContact CB-CE1 3.47Å; W130-H138 WeakPolarHBondContact CB-CE1 3.25Å; W130-H138 AromaticContact CE3-NE2 3.97Å; W130-H138 PolarHBondContact N-O 2.79Å; W130-H138 PolarHBondContact O-N 2.82Å; W130-H138 PolarHBondContact O-ND1 2.99Å; W130-H138 VanDerWaalsContact O-ND1 3.15Å; W130-L139 VanDerWaalsContact CZ3-O 3.3Å; W130-L139 WeakPolarHBondContact CZ3-O 3.3Å; W130-N449 HydrophobicContact CH2-CB 3.62Å; W130-N449 VanDerWaalsContact CH2-ND2 3.26Å; W130-N449 WeakPolarHBondContact CH2-ND2 3.47Å; W130-N449 HydrophobicContact CZ3-CB 4.08Å; W130-N449 WeakPolarHBondContact CZ3-ND2 3.32Å |
| 131 | W | 87.7 | Confident | 88.1 | Confident | 112 Ų | 112 | 59 Ų | 59 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 140.4 | 165.2 | -64.1 | 101.5 | 0 | 0 | 0 | 111 | D113 Y114 G135 Q136 L137 | D113-W131 PolarHBondContact OD2-NE1 2.71Å; Y114-W131 HydrophobicContact CE2-CZ2 4.1Å; W131-G135 VanDerWaalsContact CZ3-O 3.24Å; W131-G135 WeakPolarHBondContact CZ3-O 3.44Å; W131-Q136 CarbonylContact C-O 3.56Å; W131-Q136 WeakPolarHBondContact CA-O 3.41Å; W131-L137 HydrophobicContact CD2-CD2 3.64Å; W131-L137 HydrophobicContact CD2-CG 4.3Å; W131-L137 HydrophobicContact CE3-CD2 3.72Å; W131-L137 HydrophobicContact CE3-CG 3.84Å; W131-L137 HydrophobicContact CG-CD2 4.35Å; W131-L137 HydrophobicContact CH2-CD1 4.15Å; W131-L137 HydrophobicContact CH2-CD2 3.85Å; W131-L137 HydrophobicContact CH2-CG 3.93Å; W131-L137 HydrophobicContact CZ2-CD2 3.76Å; W131-L137 HydrophobicContact CZ2-CG 4.36Å; W131-L137 HydrophobicContact CZ3-CD1 4.24Å; W131-L137 HydrophobicContact CZ3-CD2 3.82Å; W131-L137 HydrophobicContact CZ3-CG 3.64Å |
| 132 | R | 85.8 | Confident | 88.1 | Confident | 137 Ų | 137 | 59.2 Ų | 59.2 | 52% | 0.517 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 157.3 | 166.8 | -162.7 | 172.4 | -171.5 | 157 | 7.5 | 109.7 | G134 G135 Q136 | R132-G134 PolarHBondContact O-N 3.37Å; R132-G134 VanDerWaalsContact O-N 3.1Å; R132-G135 PolarHBondContact O-N 3.48Å; R132-Q136 HydrophobicContact CB-CB 4.43Å; R132-Q136 PolarHBondContact N-O 3.26Å |
| 133 | A | 76.9 | Confident | 88.4 | Confident | 106 Ų | 106 | 52.9 Ų | 52.9 | 88% | 0.876 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 118.1 | 165 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 134 | G | 78.5 | Confident | 88.6 | Confident | 74 Ų | 74 | 53.4 Ų | 53.4 | 76% | 0.763 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.1 | 5.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R132 | R132-G134 PolarHBondContact O-N 3.37Å; R132-G134 VanDerWaalsContact O-N 3.1Å |
| 135 | G | 85.1 | Confident | 88.7 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 40% | 0.402 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 29.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | W131 R132 | W131-G135 VanDerWaalsContact CZ3-O 3.24Å; W131-G135 WeakPolarHBondContact CZ3-O 3.44Å; R132-G135 PolarHBondContact O-N 3.48Å |
| 136 | Q | 91.2 | Very high | 88.6 | Confident | 64 Ų | 64 | 53.9 Ų | 53.9 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 138.4 | 175.1 | -60.6 | -70.9 | -62 | 0 | 0 | 110.4 | W131 R132 F145 P146 | W131-Q136 CarbonylContact C-O 3.56Å; W131-Q136 WeakPolarHBondContact CA-O 3.41Å; R132-Q136 HydrophobicContact CB-CB 4.43Å; R132-Q136 PolarHBondContact N-O 3.26Å; Q136-F145 CarbonylContact C-O 3.53Å; Q136-F145 WeakPolarHBondContact CA-O 3.48Å; Q136-F145 PolarHBondContact OE1-O 3.47Å; Q136-P146 VanDerWaalsContact OE1-N 3.14Å |
| 137 | L | 91.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 144.8 | 179.4 | -68.2 | 160.9 | 0 | 0 | 0 | 111.4 | Y114 I129 W130 W131 S144 F145 L148 L151 | Y114-L137 HydrophobicContact CD2-CD2 4.27Å; Y114-L137 HydrophobicContact CE2-CD2 4.4Å; I129-L137 HydrophobicContact CG2-CB 4.16Å; I129-L137 HydrophobicContact CG2-CD2 3.95Å; W130-L137 CarbonylContact O-C 3.6Å; W130-L137 VanDerWaalsContact O-CA 3.27Å; W130-L137 WeakPolarHBondContact O-CA 3.46Å; W131-L137 HydrophobicContact CD2-CD2 3.64Å; W131-L137 HydrophobicContact CD2-CG 4.3Å; W131-L137 HydrophobicContact CE3-CD2 3.72Å; W131-L137 HydrophobicContact CE3-CG 3.84Å; W131-L137 HydrophobicContact CG-CD2 4.35Å; W131-L137 HydrophobicContact CH2-CD1 4.15Å; W131-L137 HydrophobicContact CH2-CD2 3.85Å; W131-L137 HydrophobicContact CH2-CG 3.93Å; W131-L137 HydrophobicContact CZ2-CD2 3.76Å; W131-L137 HydrophobicContact CZ2-CG 4.36Å; W131-L137 HydrophobicContact CZ3-CD1 4.24Å; W131-L137 HydrophobicContact CZ3-CD2 3.82Å; W131-L137 HydrophobicContact CZ3-CG 3.64Å; L137-S144 CarbonylContact O-C 3.49Å; L137-S144 WeakPolarHBondContact O-CA 3.33Å; L137-F145 PolarHBondContact N-O 2.9Å; L137-F145 WeakPolarHBondContact O-CD2 3.19Å; L137-F145 PolarHBondContact O-N 2.82Å; L137-L148 HydrophobicContact CD1-CB 4.41Å; L137-L148 HydrophobicContact CD1-CD2 3.9Å; L137-L148 HydrophobicContact CD1-CG 3.73Å; L137-L151 HydrophobicContact CB-CD1 4.4Å |
| 138 | H | 91.2 | Very high | 88.6 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 12% | 0.116 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 155 | 176.1 | 63.4 | -77.2 | 0 | 0 | 0 | 113 | I129 W130 N140 V143 | I129-H138 WeakPolarHBondContact CA-O 3.42Å; W130-H138 VanDerWaalsContact CB-CE1 3.47Å; W130-H138 WeakPolarHBondContact CB-CE1 3.25Å; W130-H138 AromaticContact CE3-NE2 3.97Å; W130-H138 PolarHBondContact N-O 2.79Å; W130-H138 PolarHBondContact O-N 2.82Å; W130-H138 PolarHBondContact O-ND1 2.99Å; W130-H138 VanDerWaalsContact O-ND1 3.15Å; H138-N140 WeakPolarHBondContact CB-O 3.15Å; H138-N140 PolarHBondContact CD2-O 3.34Å; H138-V143 WeakPolarHBondContact CB-O 3.41Å |
| 139 | L | 89.9 | Confident | 88.6 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -19.2 | 170.4 | -61.4 | -174.3 | 0 | 0 | 0 | 113 | L116 K128 I129 W130 L151 H155 L160 N449 | L116-L139 HydrophobicContact CD2-CD1 4.03Å; K128-L139 WeakPolarHBondContact O-CD2 3.23Å; I129-L139 HydrophobicContact CB-CD2 4.2Å; I129-L139 HydrophobicContact CD1-CD2 4.3Å; I129-L139 HydrophobicContact CG1-CD2 3.63Å; I129-L139 HydrophobicContact CG2-CD2 4.32Å; W130-L139 VanDerWaalsContact CZ3-O 3.3Å; W130-L139 WeakPolarHBondContact CZ3-O 3.3Å; L139-L151 HydrophobicContact CD1-CD2 4.42Å; L139-L151 HydrophobicContact CD2-CD1 4.22Å; L139-L151 HydrophobicContact CG-CD1 4.18Å; L139-L151 HydrophobicContact CG-CD2 4.5Å; L139-H155 WeakPolarHBondContact CD1-NE2 3.43Å; L139-L160 HydrophobicContact CD1-CD2 3.43Å; L139-L160 VanDerWaalsContact CD1-CD2 3.43Å; L139-N449 PolarHBondContact O-ND2 3.23Å |
| 140 | N | 85.1 | Confident | 88.6 | Confident | 37 Ų | 37 | 60.7 Ų | 60.7 | 20% | 0.198 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 170 | 178 | 63 | 46.1 | 0 | 0 | 0 | 109.7 | H138 A142 V143 P450 | H138-N140 WeakPolarHBondContact CB-O 3.15Å; H138-N140 PolarHBondContact CD2-O 3.34Å; N140-A142 PolarHBondContact O-N 2.82Å; N140-A142 WeakPolarHBondContact OD1-CB 3.4Å; N140-A142 PolarHBondContact OD1-N 2.92Å; N140-V143 PolarHBondContact OD1-N 2.86Å; N140-P450 HydrophobicContact CB-CG 4.09Å |
| 141 | E | 83.4 | Confident | 88.8 | Confident | 158 Ų | 158 | 57 Ų | 57 | 74% | 0.738 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -13.6 | -175.6 | -61.4 | -169.3 | 166.9 | 0 | 0 | 114.3 | ||
| 142 | A | 85.5 | Confident | 89.2 | Confident | 88 Ų | 88 | 51.7 Ų | 51.7 | 73% | 0.727 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -33.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114 | N140 | N140-A142 PolarHBondContact O-N 2.82Å; N140-A142 WeakPolarHBondContact OD1-CB 3.4Å; N140-A142 PolarHBondContact OD1-N 2.92Å |
| 143 | V | 89.4 | Confident | 89.5 | Confident | 46 Ų | 46 | 49.8 Ų | 49.8 | 28% | 0.279 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 136 | -175.4 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | H138 N140 F145 Y154 | H138-V143 WeakPolarHBondContact CB-O 3.41Å; N140-V143 PolarHBondContact OD1-N 2.86Å; V143-F145 HydrophobicContact CB-CZ 4.29Å; V143-F145 HydrophobicContact CG1-CE1 3.78Å; V143-F145 HydrophobicContact CG1-CE2 4.12Å; V143-F145 HydrophobicContact CG1-CZ 3.47Å; V143-F145 VanDerWaalsContact CG1-CZ 3.47Å; V143-Y154 HydrophobicContact CG1-CE1 4.49Å |
| 144 | S | 92.4 | Very high | 90.4 | Very high | 44 Ų | 44 | 49 Ų | 49 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 157 | 177.2 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | L137 | L137-S144 CarbonylContact O-C 3.49Å; L137-S144 WeakPolarHBondContact O-CA 3.33Å |
| 145 | F | 93.5 | Very high | 91.1 | Very high | 13 Ų | 13 | 46 Ų | 46 | 6% | 0.057 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 145.4 | -170.7 | -49.8 | -80.3 | 0 | 0 | 0 | 111.3 | Q136 L137 V143 S147 E150 L151 Y154 | Q136-F145 CarbonylContact C-O 3.53Å; Q136-F145 WeakPolarHBondContact CA-O 3.48Å; Q136-F145 PolarHBondContact OE1-O 3.47Å; L137-F145 PolarHBondContact N-O 2.9Å; L137-F145 WeakPolarHBondContact O-CD2 3.19Å; L137-F145 PolarHBondContact O-N 2.82Å; V143-F145 HydrophobicContact CB-CZ 4.29Å; V143-F145 HydrophobicContact CG1-CE1 3.78Å; V143-F145 HydrophobicContact CG1-CE2 4.12Å; V143-F145 HydrophobicContact CG1-CZ 3.47Å; V143-F145 VanDerWaalsContact CG1-CZ 3.47Å; F145-S147 VanDerWaalsContact C-N 3.33Å; F145-E150 HydrophobicContact CB-CB 4.36Å; F145-L151 HydrophobicContact CB-CB 4.09Å; F145-L151 HydrophobicContact CD1-CB 4.47Å; F145-L151 HydrophobicContact CD2-CB 3.6Å; F145-L151 HydrophobicContact CD2-CD1 3.81Å; F145-L151 HydrophobicContact CD2-CG 3.67Å; F145-L151 HydrophobicContact CE2-CB 4.14Å; F145-L151 HydrophobicContact CE2-CD1 4.19Å; F145-L151 HydrophobicContact CE2-CG 3.83Å; F145-L151 HydrophobicContact CG-CB 3.78Å; F145-L151 HydrophobicContact CG-CG 4.36Å; F145-Y154 VanDerWaalsContact CE1-CB 3.42Å; F145-Y154 AromaticContact CE1-CD1 3.81Å; F145-Y154 HydrophobicContact CE1-CD1 3.81Å; F145-Y154 AromaticContact CE1-CD2 3.94Å; F145-Y154 HydrophobicContact CE1-CD2 3.94Å; F145-Y154 AromaticContact CE1-CG 3.45Å; F145-Y154 HydrophobicContact CE1-CG 3.45Å; F145-Y154 VanDerWaalsContact CE1-CG 3.45Å; F145-Y154 AromaticContact CZ-CD1 3.47Å; F145-Y154 HydrophobicContact CZ-CD1 3.47Å; F145-Y154 VanDerWaalsContact CZ-CD1 3.47Å; F145-Y154 HydrophobicContact CZ-CD2 4.38Å; F145-Y154 HydrophobicContact CZ-CE1 4.06Å; F145-Y154 AromaticContact CZ-CG 3.66Å; F145-Y154 HydrophobicContact CZ-CG 3.66Å |
| 146 | P | 92.2 | Very high | 91.5 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -77.9 | -17.4 | 177.6 | 32.8 | -37.9 | 0 | 0 | 0 | 113.2 | Q136 E150 | Q136-P146 VanDerWaalsContact OE1-N 3.14Å; P146-E150 WeakPolarHBondContact CD-OE2 3.43Å; P146-E150 HydrophobicContact CG-CG 4.38Å; P146-E150 WeakPolarHBondContact CG-OE1 3.26Å; P146-E150 WeakPolarHBondContact CG-OE2 3.23Å |
| 147 | S | 92 | Very high | 91.5 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -147.5 | 159.4 | -180 | 70.7 | 0 | 0 | 0 | 0 | 112.6 | F145 S149 E150 L151 | F145-S147 VanDerWaalsContact C-N 3.33Å; S147-S149 VanDerWaalsContact C-N 3.25Å; S147-S149 PolarHBondContact O-N 3.32Å; S147-E150 PolarHBondContact O-N 3.34Å; S147-E150 WeakPolarHBondContact OG-CG 3.49Å; S147-E150 PolarHBondContact OG-N 3.14Å; S147-E150 VanDerWaalsContact OG-N 3.14Å; S147-L151 PolarHBondContact O-N 3.44Å; S147-L151 VanDerWaalsContact O-N 3.11Å |
| 148 | L | 92.8 | Very high | 91.4 | Very high | 11 Ų | 11 | 54 Ų | 54 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 173.1 | -74.9 | 172.4 | 0 | 0 | 0 | 111.4 | V73 W78 I104 Y114 I129 L137 L151 V152 | V73-L148 HydrophobicContact CB-CD1 4.47Å; V73-L148 HydrophobicContact CG1-CD1 4.45Å; V73-L148 HydrophobicContact CG2-CB 4.26Å; V73-L148 HydrophobicContact CG2-CD1 3.76Å; W78-L148 HydrophobicContact CH2-CB 3.57Å; W78-L148 HydrophobicContact CZ3-CB 4.06Å; W78-L148 HydrophobicContact CZ3-CD1 4.49Å; I104-L148 HydrophobicContact CD1-CD2 4.08Å; I104-L148 HydrophobicContact CG2-CD1 4.38Å; I104-L148 HydrophobicContact CG2-CD2 4.44Å; Y114-L148 HydrophobicContact CD1-CD1 3.96Å; Y114-L148 HydrophobicContact CD2-CD1 3.92Å; Y114-L148 HydrophobicContact CD2-CD2 4.05Å; Y114-L148 HydrophobicContact CD2-CG 4.37Å; Y114-L148 HydrophobicContact CE1-CD1 3.9Å; Y114-L148 HydrophobicContact CE2-CD1 3.87Å; Y114-L148 HydrophobicContact CE2-CG 4.45Å; Y114-L148 HydrophobicContact CG-CD1 3.96Å; Y114-L148 HydrophobicContact CG-CD2 4.26Å; I129-L148 HydrophobicContact CD1-CD2 3.68Å; I129-L148 HydrophobicContact CG2-CD2 4.24Å; L137-L148 HydrophobicContact CD1-CB 4.41Å; L137-L148 HydrophobicContact CD1-CD2 3.9Å; L137-L148 HydrophobicContact CD1-CG 3.73Å; L148-L151 WeakPolarHBondContact O-CB 3.45Å; L148-L151 PolarHBondContact O-N 3.35Å; L148-V152 WeakPolarHBondContact O-CG2 3.04Å; L148-V152 PolarHBondContact O-N 3.24Å |
| 149 | S | 92.9 | Very high | 91.4 | Very high | 37 Ų | 37 | 54.6 Ų | 54.6 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 177 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | S147 V152 N153 | S147-S149 VanDerWaalsContact C-N 3.25Å; S147-S149 PolarHBondContact O-N 3.32Å; S149-V152 PolarHBondContact O-N 3.11Å; S149-N153 WeakPolarHBondContact O-CB 3.01Å; S149-N153 PolarHBondContact O-N 3.16Å; S149-N153 PolarHBondContact O-ND2 3.06Å |
| 150 | E | 93.5 | Very high | 91.3 | Very high | 98 Ų | 98 | 55.2 Ų | 55.2 | 46% | 0.458 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 174.8 | -76 | -174.8 | -140 | 0 | 0 | 112.7 | F145 P146 S147 V152 N153 Y154 | F145-E150 HydrophobicContact CB-CB 4.36Å; P146-E150 WeakPolarHBondContact CD-OE2 3.43Å; P146-E150 HydrophobicContact CG-CG 4.38Å; P146-E150 WeakPolarHBondContact CG-OE1 3.26Å; P146-E150 WeakPolarHBondContact CG-OE2 3.23Å; S147-E150 PolarHBondContact O-N 3.34Å; S147-E150 WeakPolarHBondContact OG-CG 3.49Å; S147-E150 PolarHBondContact OG-N 3.14Å; S147-E150 VanDerWaalsContact OG-N 3.14Å; E150-V152 VanDerWaalsContact C-N 3.34Å; E150-V152 PolarHBondContact O-N 2.96Å; E150-N153 PolarHBondContact O-N 3.29Å; E150-Y154 WeakPolarHBondContact O-CB 3.23Å; E150-Y154 PolarHBondContact O-N 2.94Å |
| 151 | L | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 172.6 | -177.1 | 158.7 | 0 | 0 | 0 | 111.2 | I129 L137 L139 F145 S147 L148 Y154 H155 | I129-L151 HydrophobicContact CD1-CD1 4.28Å; I129-L151 HydrophobicContact CD1-CD2 4.48Å; I129-L151 HydrophobicContact CG2-CD1 3.62Å; L137-L151 HydrophobicContact CB-CD1 4.4Å; L139-L151 HydrophobicContact CD1-CD2 4.42Å; L139-L151 HydrophobicContact CD2-CD1 4.22Å; L139-L151 HydrophobicContact CG-CD1 4.18Å; L139-L151 HydrophobicContact CG-CD2 4.5Å; F145-L151 HydrophobicContact CB-CB 4.09Å; F145-L151 HydrophobicContact CD1-CB 4.47Å; F145-L151 HydrophobicContact CD2-CB 3.6Å; F145-L151 HydrophobicContact CD2-CD1 3.81Å; F145-L151 HydrophobicContact CD2-CG 3.67Å; F145-L151 HydrophobicContact CE2-CB 4.14Å; F145-L151 HydrophobicContact CE2-CD1 4.19Å; F145-L151 HydrophobicContact CE2-CG 3.83Å; F145-L151 HydrophobicContact CG-CB 3.78Å; F145-L151 HydrophobicContact CG-CG 4.36Å; S147-L151 PolarHBondContact O-N 3.44Å; S147-L151 VanDerWaalsContact O-N 3.11Å; L148-L151 WeakPolarHBondContact O-CB 3.45Å; L148-L151 PolarHBondContact O-N 3.35Å; L151-Y154 PolarHBondContact O-N 2.86Å; L151-H155 PolarHBondContact O-CD2 2.87Å; L151-H155 PolarHBondContact O-N 2.63Å; L151-H155 VanDerWaalsContact O-N 3.11Å |
| 152 | V | 94.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 177.2 | 167.2 | 0 | 0 | 0 | 0 | 110.7 | W78 F102 I104 L148 S149 E150 Y154 H155 R156 L166 | W78-V152 HydrophobicContact CD2-CG2 4.16Å; W78-V152 HydrophobicContact CE3-CG2 4.25Å; W78-V152 HydrophobicContact CH2-CG2 4.33Å; W78-V152 HydrophobicContact CZ2-CG2 4.24Å; W78-V152 HydrophobicContact CZ3-CG2 4.36Å; F102-V152 HydrophobicContact CE2-CG1 3.79Å; F102-V152 HydrophobicContact CE2-CG2 3.95Å; F102-V152 HydrophobicContact CZ-CG1 3.55Å; I104-V152 HydrophobicContact CD1-CG2 3.68Å; L148-V152 WeakPolarHBondContact O-CG2 3.04Å; L148-V152 PolarHBondContact O-N 3.24Å; S149-V152 PolarHBondContact O-N 3.11Å; E150-V152 VanDerWaalsContact C-N 3.34Å; E150-V152 PolarHBondContact O-N 2.96Å; V152-Y154 VanDerWaalsContact C-N 3.33Å; V152-Y154 PolarHBondContact O-N 3.32Å; V152-H155 PolarHBondContact O-N 3.31Å; V152-R156 WeakPolarHBondContact O-CG 3.48Å; V152-R156 PolarHBondContact O-N 2.98Å; V152-L166 HydrophobicContact CG1-CD1 4.32Å |
| 153 | N | 93.8 | Very high | 91 | Very high | 97 Ų | 97 | 51.3 Ų | 51.3 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | -179.1 | -73.4 | -24.3 | 0 | 0 | 0 | 112.2 | S149 E150 R156 | S149-N153 WeakPolarHBondContact O-CB 3.01Å; S149-N153 PolarHBondContact O-N 3.16Å; S149-N153 PolarHBondContact O-ND2 3.06Å; E150-N153 PolarHBondContact O-N 3.29Å; N153-R156 PolarHBondContact O-N 3.44Å |
| 154 | Y | 94.1 | Very high | 91.1 | Very high | 91 Ų | 91 | 49.5 Ų | 49.5 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 175 | 179.8 | -94 | 0 | 0 | 0 | 112 | V143 F145 E150 L151 V152 R156 A157 Q158 | V143-Y154 HydrophobicContact CG1-CE1 4.49Å; F145-Y154 VanDerWaalsContact CE1-CB 3.42Å; F145-Y154 AromaticContact CE1-CD1 3.81Å; F145-Y154 HydrophobicContact CE1-CD1 3.81Å; F145-Y154 AromaticContact CE1-CD2 3.94Å; F145-Y154 HydrophobicContact CE1-CD2 3.94Å; F145-Y154 AromaticContact CE1-CG 3.45Å; F145-Y154 HydrophobicContact CE1-CG 3.45Å; F145-Y154 VanDerWaalsContact CE1-CG 3.45Å; F145-Y154 AromaticContact CZ-CD1 3.47Å; F145-Y154 HydrophobicContact CZ-CD1 3.47Å; F145-Y154 VanDerWaalsContact CZ-CD1 3.47Å; F145-Y154 HydrophobicContact CZ-CD2 4.38Å; F145-Y154 HydrophobicContact CZ-CE1 4.06Å; F145-Y154 AromaticContact CZ-CG 3.66Å; F145-Y154 HydrophobicContact CZ-CG 3.66Å; E150-Y154 WeakPolarHBondContact O-CB 3.23Å; E150-Y154 PolarHBondContact O-N 2.94Å; L151-Y154 PolarHBondContact O-N 2.86Å; V152-Y154 VanDerWaalsContact C-N 3.33Å; V152-Y154 PolarHBondContact O-N 3.32Å; Y154-R156 VanDerWaalsContact C-N 3.26Å; Y154-R156 PolarHBondContact O-N 3.36Å; Y154-A157 PolarHBondContact O-N 3.12Å; Y154-Q158 HydrophobicContact CD1-CB 4.1Å; Y154-Q158 HydrophobicContact CE1-CB 3.66Å; Y154-Q158 HydrophobicContact CE1-CG 3.81Å; Y154-Q158 PolarHBondContact O-N 2.7Å |
| 155 | H | 94.2 | Very high | 91.1 | Very high | 11 Ų | 11 | 53.8 Ų | 53.8 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -78.9 | -2.6 | -177.7 | -73.4 | -63.1 | 0 | 0 | 0 | 115 | L139 L151 V152 Q158 L160 L166 | L139-H155 WeakPolarHBondContact CD1-NE2 3.43Å; L151-H155 PolarHBondContact O-CD2 2.87Å; L151-H155 PolarHBondContact O-N 2.63Å; L151-H155 VanDerWaalsContact O-N 3.11Å; V152-H155 PolarHBondContact O-N 3.31Å; H155-Q158 CarbonylContact C-O 3.57Å; H155-Q158 WeakPolarHBondContact CA-O 3.47Å; H155-L160 HydrophobicContact CB-CD2 4.48Å; H155-L160 WeakPolarHBondContact ND1-CD2 3.37Å; H155-L166 HydrophobicContact CB-CD1 3.65Å; H155-L166 HydrophobicContact CB-CG 3.84Å; H155-L166 PolarHBondContact O-N 2.83Å |
| 156 | R | 94.1 | Very high | 91.2 | Very high | 106 Ų | 106 | 53.4 Ų | 53.4 | 40% | 0.4 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.5 | -35.2 | 161 | -73.4 | 174.2 | 178 | -117 | 7.1 | 111.6 | V152 N153 Y154 L166 | V152-R156 WeakPolarHBondContact O-CG 3.48Å; V152-R156 PolarHBondContact O-N 2.98Å; N153-R156 PolarHBondContact O-N 3.44Å; Y154-R156 VanDerWaalsContact C-N 3.26Å; Y154-R156 PolarHBondContact O-N 3.36Å; R156-L166 WeakPolarHBondContact CA-O 3.36Å; R156-L166 HydrophobicContact CG-CB 3.97Å; R156-L166 WeakPolarHBondContact CG-O 3.48Å |
| 157 | A | 90.1 | Very high | 91.3 | Very high | 68 Ų | 68 | 53 Ų | 53 | 56% | 0.562 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -90.7 | -41.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y154 R165 | Y154-A157 PolarHBondContact O-N 3.12Å; A157-R165 PolarHBondContact O-NH1 2.92Å; A157-R165 VanDerWaalsContact O-NH1 3.07Å |
| 158 | Q | 90.9 | Very high | 91.4 | Very high | 98 Ų | 98 | 53.3 Ų | 53.3 | 46% | 0.458 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -101.4 | 137.6 | -174.8 | -170.8 | 61.6 | 18.4 | 0 | 0 | 112.2 | Y154 H155 | Y154-Q158 HydrophobicContact CD1-CB 4.1Å; Y154-Q158 HydrophobicContact CE1-CB 3.66Å; Y154-Q158 HydrophobicContact CE1-CG 3.81Å; Y154-Q158 PolarHBondContact O-N 2.7Å; H155-Q158 CarbonylContact C-O 3.57Å; H155-Q158 WeakPolarHBondContact CA-O 3.47Å |
| 159 | S | 89.8 | Confident | 91.5 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | trans | -69.8 | 139.4 | 178.5 | -70.5 | 0 | 0 | 0 | 0 | 113 | G163 L164 R165 | S159-G163 PolarHBondContact OG-O 2.81Å; S159-G163 VanDerWaalsContact OG-O 3.12Å; S159-L164 CarbonylContact C-O 3.6Å; S159-L164 VanDerWaalsContact CA-O 3.26Å; S159-L164 WeakPolarHBondContact CA-O 3.19Å; S159-R165 WeakPolarHBondContact OG-CG 3.35Å; S159-R165 PolarHBondContact OG-NE 3.4Å | ||
| 160 | L | 88.7 | Confident | 91.5 | Very high | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | trans | -75.4 | -176.4 | 162 | -65.5 | 166.7 | 0 | 0 | 0 | 110.4 | L116 V118 Y127 L139 H155 G163 L164 L166 | L116-L160 HydrophobicContact CD2-CD1 4.11Å; L116-L160 HydrophobicContact CD2-CD2 4.48Å; V118-L160 HydrophobicContact CG2-CD1 4.01Å; Y127-L160 HydrophobicContact CD2-CD1 4.46Å; Y127-L160 HydrophobicContact CE1-CB 4.32Å; Y127-L160 HydrophobicContact CE2-CD1 4.01Å; L139-L160 HydrophobicContact CD1-CD2 3.43Å; L139-L160 VanDerWaalsContact CD1-CD2 3.43Å; H155-L160 HydrophobicContact CB-CD2 4.48Å; H155-L160 WeakPolarHBondContact ND1-CD2 3.37Å; L160-G163 PolarHBondContact O-N 3.43Å; L160-L164 HydrophobicContact CB-CB 4.35Å; L160-L164 PolarHBondContact N-O 3.14Å; L160-L166 HydrophobicContact CD1-CD2 3.98Å | ||
| 161 | S | 83.6 | Confident | 91 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -54.8 | 152 | 169.4 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | Y127 G163 E448 | Y127-S161 VanDerWaalsContact CE1-OG 3.23Å; Y127-S161 WeakPolarHBondContact CE1-OG 3.25Å; Y127-S161 PolarHBondContact OH-O 2.78Å; Y127-S161 PolarHBondContact OH-OG 2.97Å; S161-G163 PolarHBondContact O-N 2.78Å; S161-E448 PolarHBondContact OG-O 2.82Å |
| 162 | H | 80.3 | Confident | 90.3 | Very high | 122 Ų | 122 | 59.5 Ų | 59.5 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | 63.1 | 17.5 | -177.5 | -47.9 | 84.2 | 0 | 0 | 0 | 114.7 | L164 E448 | H162-L164 PolarHBondContact O-N 2.92Å; H162-E448 IonicContact CE1-OE2 3.28Å; H162-E448 PolarHBondContact CE1-OE2 3.08Å |
| 163 | G | 84.5 | Confident | 89.3 | Confident | 53 Ų | 53 | 65.4 Ų | 65.4 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | 78.1 | 0 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S159 L160 S161 | S159-G163 PolarHBondContact OG-O 2.81Å; S159-G163 VanDerWaalsContact OG-O 3.12Å; L160-G163 PolarHBondContact O-N 3.43Å; S161-G163 PolarHBondContact O-N 2.78Å |
| 164 | L | 89.6 | Confident | 88.6 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | trans | -63.1 | 141.9 | -177.5 | -75 | 163.2 | 0 | 0 | 0 | 112.3 | T99 D120 R125 S159 L160 H162 | T99-L164 HydrophobicContact CG2-CD2 3.74Å; D120-L164 HydrophobicContact CB-CD1 3.98Å; D120-L164 HydrophobicContact CB-CD2 4.06Å; R125-L164 HydrophobicContact CB-CD1 4.23Å; R125-L164 HydrophobicContact CG-CD1 3.66Å; S159-L164 CarbonylContact C-O 3.6Å; S159-L164 VanDerWaalsContact CA-O 3.26Å; S159-L164 WeakPolarHBondContact CA-O 3.19Å; L160-L164 HydrophobicContact CB-CB 4.35Å; L160-L164 PolarHBondContact N-O 3.14Å; H162-L164 PolarHBondContact O-N 2.92Å | ||
| 165 | R | 92.9 | Very high | 87.5 | Confident | 134 Ų | 134 | 63.6 Ų | 63.6 | 51% | 0.506 | 34% | 0.335 | S | S | . | . | trans | -126.4 | 150.9 | 171.8 | -67.3 | -177.1 | -175.5 | -161.9 | 2.1 | 109.8 | G100 A157 S159 A167 | G100-R165 WeakPolarHBondContact CA-O 3.26Å; A157-R165 PolarHBondContact O-NH1 2.92Å; A157-R165 VanDerWaalsContact O-NH1 3.07Å; S159-R165 WeakPolarHBondContact OG-CG 3.35Å; S159-R165 PolarHBondContact OG-NE 3.4Å; R165-A167 PolarHBondContact O-N 2.86Å | ||
| 166 | L | 95.7 | Very high | 86.3 | Confident | 6 Ų | 6 | 71.7 Ų | 71.7 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | trans | -74.7 | 120.6 | 174.8 | -56.3 | -173.6 | 0 | 0 | 0 | 109.4 | F102 L116 V118 V152 H155 R156 L160 | F102-L166 HydrophobicContact CB-CD2 3.76Å; F102-L166 HydrophobicContact CD1-CB 3.83Å; F102-L166 HydrophobicContact CD1-CD2 4.08Å; F102-L166 HydrophobicContact CD1-CG 4.36Å; F102-L166 HydrophobicContact CD2-CD1 4.21Å; F102-L166 HydrophobicContact CD2-CD2 4.3Å; F102-L166 HydrophobicContact CE1-CB 3.93Å; F102-L166 HydrophobicContact CE2-CD1 4.24Å; F102-L166 HydrophobicContact CG-CB 4.36Å; F102-L166 HydrophobicContact CG-CD1 4.38Å; F102-L166 HydrophobicContact CG-CD2 3.79Å; F102-L166 HydrophobicContact CG-CG 4.39Å; F102-L166 HydrophobicContact CZ-CD1 4.43Å; L116-L166 HydrophobicContact CD1-CD1 4.39Å; L116-L166 HydrophobicContact CD1-CD2 4.13Å; L116-L166 HydrophobicContact CD2-CD1 4.38Å; L116-L166 HydrophobicContact CD2-CD2 4.25Å; V118-L166 HydrophobicContact CG1-CD2 4.15Å; V118-L166 HydrophobicContact CG2-CD2 3.68Å; V152-L166 HydrophobicContact CG1-CD1 4.32Å; H155-L166 HydrophobicContact CB-CD1 3.65Å; H155-L166 HydrophobicContact CB-CG 3.84Å; H155-L166 PolarHBondContact O-N 2.83Å; R156-L166 WeakPolarHBondContact CA-O 3.36Å; R156-L166 HydrophobicContact CG-CB 3.97Å; R156-L166 WeakPolarHBondContact CG-O 3.48Å; L160-L166 HydrophobicContact CD1-CD2 3.98Å | ||
| 167 | A | 93.9 | Very high | 84.9 | Confident | 53 Ų | 53 | 67.8 Ų | 67.8 | 44% | 0.438 | 36% | 0.361 | S | S | . | . | trans | -101.4 | -69.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | G100 R165 | G100-A167 PolarHBondContact O-N 3.31Å; R165-A167 PolarHBondContact O-N 2.86Å | ||
| 168 | A | 94.3 | Very high | 83.7 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | trans | -137.2 | 148.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | T101 F102 | T101-A168 CarbonylContact C-O 3.5Å; T101-A168 WeakPolarHBondContact CA-O 3.35Å; F102-A168 WeakPolarHBondContact CD1-O 3.38Å; F102-A168 PolarHBondContact N-O 2.97Å | ||
| 169 | P | 94.4 | Very high | 82.3 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 25% | 0.247 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -57 | 144.4 | 168.8 | -25.2 | 35.8 | 0 | 0 | 0 | 112.1 | P77 W78 F102 | P77-P169 HydrophobicContact CG-CG 4.45Å; W78-P169 HydrophobicContact CB-CB 3.88Å; W78-P169 HydrophobicContact CB-CG 4.09Å; F102-P169 HydrophobicContact CZ-CG 4.45Å; F102-P169 CarbonylContact O-C 3.56Å; F102-P169 WeakPolarHBondContact O-CA 3.4Å |
| 170 | C | 93.1 | Very high | 81 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.027 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -62 | 144.5 | 166.3 | -172 | 0 | 0 | 0 | 0 | 109.6 | F80 L92 T101 F102 L103 K172 | F80-C170 HydrophobicContact CE2-CB 4.11Å; F80-C170 HydrophobicContact CZ-CB 3.72Å; F80-C170 WeakPolarHBondContact CZ-O 3.35Å; L92-C170 HydrophobicContact CD2-CB 3.83Å; T101-C170 HydrophobicContact CG2-CB 4.09Å; F102-C170 PolarHBondContact O-N 3.39Å; L103-C170 HydrophobicContact CB-CB 4.11Å; L103-C170 HydrophobicContact CD2-CB 4.04Å; C170-K172 PolarHBondContact O-N 2.88Å |
| 171 | R | 83.8 | Confident | 79.8 | Confident | 177 Ų | 177 | 63.3 Ų | 63.3 | 67% | 0.668 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 132.5 | 174.4 | -66.6 | -177.4 | 178.4 | 171 | -0.5 | 110.2 | ||
| 172 | K | 80.6 | Confident | 78.6 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -87.4 | 130.3 | 169.6 | -71.9 | -178.8 | 172.5 | 178.8 | 0 | 108.7 | W17 E76 P77 F79 F80 C170 | W17-K172 HydrophobicContact CZ2-CB 4.1Å; W17-K172 HydrophobicContact CZ2-CD 4.35Å; E76-K172 PolarHBondContact O-NZ 2.81Å; P77-K172 VanDerWaalsContact O-CE 3.23Å; P77-K172 WeakPolarHBondContact O-CE 3.39Å; F79-K172 WeakPolarHBondContact O-CE 3.39Å; F79-K172 PolarHBondContact O-NZ 2.88Å; F80-K172 HydrophobicContact CD1-CG 4.43Å; F80-K172 HydrophobicContact CD2-CG 4.4Å; F80-K172 HydrophobicContact CE1-CG 3.83Å; F80-K172 HydrophobicContact CE2-CG 3.78Å; F80-K172 HydrophobicContact CZ-CB 4.35Å; F80-K172 HydrophobicContact CZ-CG 3.45Å; F80-K172 VanDerWaalsContact CZ-CG 3.45Å; C170-K172 PolarHBondContact O-N 2.88Å |
| 173 | H | 73.7 | Confident | 78.5 | Confident | 126 Ų | 126 | 67.4 Ų | 67.4 | 58% | 0.583 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -85.4 | 143.2 | 168.4 | -69.2 | -78.4 | 0 | 0 | 0 | 109.6 | ||
| 174 | E | 77.4 | Confident | 78.6 | Confident | 112 Ų | 112 | 67 Ų | 67 | 52% | 0.523 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 124 | 169.7 | -176 | 175.5 | 168.3 | 0 | 0 | 109 | W17 Y66 | W17-E174 HydrophobicContact CB-CG 4Å; W17-E174 HydrophobicContact CG-CB 4.13Å; W17-E174 HydrophobicContact CG-CG 3.85Å; Y66-E174 HydrophobicContact CE1-CG 4.29Å; Y66-E174 WeakPolarHBondContact OH-CG 3.48Å; Y66-E174 PolarHBondContact OH-OE1 2.87Å |
| 175 | P | 71.9 | Confident | 78.6 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 24% | 0.24 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 139 | 176.6 | 23.1 | -22.2 | 0 | 0 | 0 | 109.8 | W17 Y66 P177 | W17-P175 HydrophobicContact CE3-CG 4.23Å; W17-P175 HydrophobicContact CH2-CG 4.31Å; W17-P175 HydrophobicContact CZ3-CG 4.09Å; Y66-P175 HydrophobicContact CD2-CG 3.9Å; Y66-P175 HydrophobicContact CE2-CB 4.34Å; Y66-P175 HydrophobicContact CE2-CG 3.61Å; Y66-P175 WeakPolarHBondContact CE2-O 3.3Å; Y66-P175 PolarHBondContact OH-O 3.24Å; P175-P177 VanDerWaalsContact O-CD 3.29Å; P175-P177 WeakPolarHBondContact O-CD 3.03Å |
| 176 | E | 68.1 | Low | 78.5 | Confident | 182 Ų | 182 | 66.2 Ų | 66.2 | 85% | 0.85 | 33% | 0.332 | S | S | * | . | trans | -81 | 114.5 | 170.4 | -69.6 | -170.9 | 178 | 0 | 0 | 109.7 | ||||
| 177 | P | 65.7 | Low | 78.4 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 133.9 | -177.5 | 29 | -28.7 | 0 | 0 | 0 | 109.2 | F19 R22 W44 P63 Y66 P175 | F19-P177 HydrophobicContact CD2-CG 3.99Å; F19-P177 HydrophobicContact CE2-CB 4.45Å; F19-P177 HydrophobicContact CE2-CG 3.61Å; R22-P177 PolarHBondContact NH1-O 3.31Å; W44-P177 HydrophobicContact CZ2-CB 4.35Å; P63-P177 HydrophobicContact CB-CB 3.74Å; P63-P177 HydrophobicContact CG-CB 3.58Å; P63-P177 HydrophobicContact CG-CG 4Å; Y66-P177 HydrophobicContact CE2-CB 4.17Å; Y66-P177 HydrophobicContact CE2-CG 3.99Å; Y66-P177 WeakPolarHBondContact OH-CD 3.31Å; P175-P177 VanDerWaalsContact O-CD 3.29Å; P175-P177 WeakPolarHBondContact O-CD 3.03Å |
| 178 | V | 64.1 | Low | 78.4 | Confident | 38 Ų | 38 | 68.9 Ų | 68.9 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -71 | 142.5 | 168 | -67.9 | 0 | 0 | 0 | 0 | 109.7 | W44 Y251 | W44-V178 VanDerWaalsContact CE2-O 3.23Å; W44-V178 WeakPolarHBondContact CZ2-O 3.45Å; W44-V178 PolarHBondContact NE1-O 3.22Å; V178-Y251 HydrophobicContact CG1-CE2 4.31Å |
| 179 | P | 61.7 | Low | 78.4 | Confident | 16 Ų | 16 | 74.4 Ų | 74.4 | 10% | 0.104 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 142.4 | 177.4 | -26.6 | 34 | 0 | 0 | 0 | 112.6 | W181 W210 V214 | P179-W181 PolarHBondContact O-N 3.34Å; P179-W210 HydrophobicContact CB-CH2 4.38Å; P179-W210 HydrophobicContact CB-CZ3 4.36Å; P179-W210 HydrophobicContact CG-CE3 4.39Å; P179-W210 HydrophobicContact CG-CZ3 4.26Å; P179-V214 HydrophobicContact CG-CG2 3.78Å |
| 180 | H | 63 | Low | 78.3 | Confident | 25 Ų | 25 | 74.2 Ų | 74.2 | 12% | 0.116 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -63 | 128.6 | 168.4 | -174.7 | -111.3 | 0 | 0 | 0 | 109.3 | E25 W44 Y61 | E25-H180 IonicContact OE2-ND1 3.85Å; W44-H180 VanDerWaalsContact CB-CD2 3.48Å; W44-H180 WeakPolarHBondContact CB-CD2 3.43Å; W44-H180 AromaticContact CD1-CD2 3.74Å; W44-H180 HydrophobicContact CD2-CB 3.88Å; W44-H180 HydrophobicContact CE3-CB 4.41Å; W44-H180 HydrophobicContact CG-CB 4.02Å; W44-H180 AromaticContact CG-CD2 3.54Å; W44-H180 HydrophobicContact CZ2-CB 4.25Å; Y61-H180 AromaticContact CD1-NE2 3.83Å; Y61-H180 AromaticContact CD2-CE1 3.62Å; Y61-H180 AromaticContact CD2-ND1 3.61Å; Y61-H180 AromaticContact CE1-CE1 3.8Å; Y61-H180 AromaticContact CE1-NE2 3.49Å; Y61-H180 WeakPolarHBondContact CE1-NE2 3.4Å; Y61-H180 AromaticContact CE2-CE1 3.23Å; Y61-H180 WeakPolarHBondContact CE2-CE1 3.37Å; Y61-H180 AromaticContact CE2-ND1 3.69Å; Y61-H180 AromaticContact CE2-NE2 3.82Å; Y61-H180 AromaticContact CZ-CE1 3.33Å; Y61-H180 AromaticContact CZ-NE2 3.49Å |
| 181 | W | 63.3 | Low | 78.4 | Confident | 48 Ų | 48 | 74.8 Ų | 74.8 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | trans | -145.1 | 130 | 174.5 | 63.4 | -94.5 | 0 | 0 | 0 | 110.1 | P179 W184 W210 | P179-W181 PolarHBondContact O-N 3.34Å; W181-W184 HydrophobicContact CE3-CD2 4.47Å; W181-W184 HydrophobicContact CE3-CE3 4.36Å; W181-W184 AromaticContact CH2-CD2 3.62Å; W181-W184 HydrophobicContact CH2-CD2 3.62Å; W181-W184 AromaticContact CH2-CE2 3.68Å; W181-W184 AromaticContact CH2-CE3 3.26Å; W181-W184 HydrophobicContact CH2-CE3 3.26Å; W181-W184 AromaticContact CH2-CH2 3.23Å; W181-W184 HydrophobicContact CH2-CH2 3.23Å; W181-W184 AromaticContact CH2-CZ2 3.53Å; W181-W184 HydrophobicContact CH2-CZ2 3.53Å; W181-W184 AromaticContact CH2-CZ3 3.03Å; W181-W184 HydrophobicContact CH2-CZ3 3.03Å; W181-W184 HydrophobicContact CZ2-CE3 4Å; W181-W184 AromaticContact CZ2-CH2 3.97Å; W181-W184 HydrophobicContact CZ2-CH2 3.97Å; W181-W184 AromaticContact CZ2-CZ3 3.57Å; W181-W184 HydrophobicContact CZ2-CZ3 3.57Å; W181-W184 AromaticContact CZ3-CD2 3.42Å; W181-W184 HydrophobicContact CZ3-CD2 3.42Å; W181-W184 VanDerWaalsContact CZ3-CD2 3.42Å; W181-W184 AromaticContact CZ3-CE2 3.65Å; W181-W184 AromaticContact CZ3-CE3 3.43Å; W181-W184 HydrophobicContact CZ3-CE3 3.43Å; W181-W184 VanDerWaalsContact CZ3-CE3 3.43Å; W181-W184 HydrophobicContact CZ3-CG 4.03Å; W181-W184 HydrophobicContact CZ3-CH2 4.07Å; W181-W184 HydrophobicContact CZ3-CZ2 4.01Å; W181-W184 AromaticContact CZ3-CZ3 3.75Å; W181-W184 HydrophobicContact CZ3-CZ3 3.75Å; W181-W210 HydrophobicContact CB-CH2 4Å; W181-W210 AromaticContact CD1-CH2 3.55Å; W181-W210 AromaticContact CD1-CZ3 3.85Å; W181-W210 AromaticContact CG-CH2 3.89Å; W181-W210 HydrophobicContact CG-CH2 3.89Å | ||
| 182 | D | 59.3 | Low | 79 | Confident | 123 Ų | 123 | 69.1 Ų | 69.1 | 66% | 0.658 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -101.5 | -14.5 | 171.7 | -104.2 | -20.5 | 0 | 0 | 0 | 112.2 | ||
| 183 | D | 77.4 | Confident | 79.8 | Confident | 111 Ų | 111 | 69.5 Ų | 69.5 | 59% | 0.594 | 34% | 0.343 | S | S | * | . | trans | -109.6 | 116.2 | -177.8 | -74.5 | -37 | 0 | 0 | 0 | 113 | R186 | D183-R186 WeakPolarHBondContact O-CD 3.35Š| ||
| 184 | W | 86.2 | Confident | 80.9 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 17% | 0.174 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -65.8 | -36.1 | 176.3 | -65 | 104.3 | 0 | 0 | 0 | 113.6 | W181 K240 L250 A252 V253 | W181-W184 HydrophobicContact CE3-CD2 4.47Å; W181-W184 HydrophobicContact CE3-CE3 4.36Å; W181-W184 AromaticContact CH2-CD2 3.62Å; W181-W184 HydrophobicContact CH2-CD2 3.62Å; W181-W184 AromaticContact CH2-CE2 3.68Å; W181-W184 AromaticContact CH2-CE3 3.26Å; W181-W184 HydrophobicContact CH2-CE3 3.26Å; W181-W184 AromaticContact CH2-CH2 3.23Å; W181-W184 HydrophobicContact CH2-CH2 3.23Å; W181-W184 AromaticContact CH2-CZ2 3.53Å; W181-W184 HydrophobicContact CH2-CZ2 3.53Å; W181-W184 AromaticContact CH2-CZ3 3.03Å; W181-W184 HydrophobicContact CH2-CZ3 3.03Å; W181-W184 HydrophobicContact CZ2-CE3 4Å; W181-W184 AromaticContact CZ2-CH2 3.97Å; W181-W184 HydrophobicContact CZ2-CH2 3.97Å; W181-W184 AromaticContact CZ2-CZ3 3.57Å; W181-W184 HydrophobicContact CZ2-CZ3 3.57Å; W181-W184 AromaticContact CZ3-CD2 3.42Å; W181-W184 HydrophobicContact CZ3-CD2 3.42Å; W181-W184 VanDerWaalsContact CZ3-CD2 3.42Å; W181-W184 AromaticContact CZ3-CE2 3.65Å; W181-W184 AromaticContact CZ3-CE3 3.43Å; W181-W184 HydrophobicContact CZ3-CE3 3.43Å; W181-W184 VanDerWaalsContact CZ3-CE3 3.43Å; W181-W184 HydrophobicContact CZ3-CG 4.03Å; W181-W184 HydrophobicContact CZ3-CH2 4.07Å; W181-W184 HydrophobicContact CZ3-CZ2 4.01Å; W181-W184 AromaticContact CZ3-CZ3 3.75Å; W181-W184 HydrophobicContact CZ3-CZ3 3.75Å; W184-K240 HydrophobicContact CD2-CD 4.32Å; W184-K240 HydrophobicContact CD2-CG 3.86Å; W184-K240 HydrophobicContact CE3-CG 4.36Å; W184-K240 HydrophobicContact CG-CD 4.08Å; W184-K240 HydrophobicContact CG-CG 4.15Å; W184-K240 HydrophobicContact CH2-CG 4.43Å; W184-K240 HydrophobicContact CZ2-CB 4Å; W184-K240 HydrophobicContact CZ2-CG 3.99Å; W184-K240 WeakPolarHBondContact CZ2-O 3.25Å; W184-L250 HydrophobicContact CD2-CD2 4.32Å; W184-L250 HydrophobicContact CE3-CB 4.42Å; W184-L250 HydrophobicContact CE3-CD2 3.58Å; W184-L250 HydrophobicContact CE3-CG 3.83Å; W184-L250 HydrophobicContact CH2-CB 4.23Å; W184-L250 HydrophobicContact CH2-CD2 4.23Å; W184-L250 HydrophobicContact CH2-CG 4.47Å; W184-L250 HydrophobicContact CZ3-CB 3.63Å; W184-L250 HydrophobicContact CZ3-CD2 3.54Å; W184-L250 HydrophobicContact CZ3-CG 3.55Å; W184-L250 WeakPolarHBondContact CZ3-O 3.27Å; W184-A252 CarbonylContact O-C 3.56Å; W184-A252 WeakPolarHBondContact O-CA 3.45Å; W184-V253 PolarHBondContact O-N 2.68Å |
| 185 | E | 90.8 | Very high | 81.7 | Confident | 73 Ų | 73 | 68.6 Ų | 68.6 | 34% | 0.341 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -82.5 | 124.4 | -179.1 | -172.4 | 69.9 | -157.3 | 0 | 0 | 109.2 | V253 S255 V256 | E185-V253 WeakPolarHBondContact CA-O 3.48Å; E185-S255 WeakPolarHBondContact OE1-CA 3.49Å; E185-S255 PolarHBondContact OE1-N 2.92Å; E185-S255 PolarHBondContact OE1-OG 3.43Å; E185-S255 VanDerWaalsContact OE1-OG 3.1Å; E185-S255 WeakPolarHBondContact OE2-CB 3.23Å; E185-S255 PolarHBondContact OE2-N 2.79Å; E185-S255 PolarHBondContact OE2-OG 2.91Å; E185-V256 PolarHBondContact OE1-N 3.22Å |
| 186 | R | 91.1 | Very high | 82.8 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | trans | -126.7 | 152.3 | -175.6 | -61.7 | -56.7 | -60.4 | 175.1 | 1.8 | 111.7 | D183 E190 F191 A252 V253 | D183-R186 WeakPolarHBondContact O-CD 3.35Å; R186-E190 IonicContact CZ-OE1 3.64Å; R186-E190 IonicContact CZ-OE2 3.08Å; R186-E190 IonicContact NE-OE1 3.63Å; R186-E190 IonicContact NE-OE2 2.82Å; R186-E190 PolarHBondContact NE-OE2 3.18Å; R186-E190 VanDerWaalsContact NH2-CD 3.3Å; R186-E190 IonicContact NH2-OE1 2.87Å; R186-E190 PolarHBondContact NH2-OE1 3.48Å; R186-E190 IonicContact NH2-OE2 2.75Å; R186-E190 PolarHBondContact NH2-OE2 3.23Å; R186-F191 HydrophobicContact CB-CE2 3.63Å; R186-F191 HydrophobicContact CB-CZ 3.86Å; R186-F191 HydrophobicContact CG-CE2 4.48Å; R186-F191 HydrophobicContact CG-CZ 4.21Å; R186-A252 HydrophobicContact CB-CB 4.2Å; R186-A252 HydrophobicContact CG-CB 3.51Å; R186-V253 PolarHBondContact N-O 3.4Å | ||
| 187 | P | 92.3 | Very high | 83.9 | Confident | 60 Ų | 60 | 66.5 Ų | 66.5 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | trans | -63.6 | 143.3 | 172.5 | 3.2 | 3.7 | 0 | 0 | 0 | 111.1 | E189 E190 F191 | P187-E189 VanDerWaalsContact CB-OE2 3.23Å; P187-E189 WeakPolarHBondContact CB-OE2 3.49Å; P187-E189 PolarHBondContact O-N 3.02Å; P187-E190 HydrophobicContact CB-CG 4.34Å; P187-E190 HydrophobicContact CG-CG 3.86Å; P187-E190 PolarHBondContact O-N 3.19Å; P187-F191 WeakPolarHBondContact O-CD2 3.41Å; P187-F191 WeakPolarHBondContact O-CE2 3.19Å | ||
| 188 | R | 94.3 | Very high | 84.9 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -62.4 | -34.4 | -179.3 | -175.3 | 179.5 | -59.8 | -81.2 | -10 | 112 | E190 F191 V254 V256 P259 Y261 | R188-E190 PolarHBondContact O-N 3.05Å; R188-E190 VanDerWaalsContact O-N 3.16Å; R188-F191 PolarHBondContact O-N 2.82Å; R188-V254 HydrophobicContact CB-CG1 3.88Å; R188-V254 HydrophobicContact CG-CG1 4.42Å; R188-V256 PolarHBondContact NH2-O 2.85Å; R188-V256 VanDerWaalsContact NH2-O 3.14Å; R188-P259 PolarHBondContact NH1-O 2.98Å; R188-P259 PolarHBondContact NH2-O 2.65Å; R188-Y261 HydrophobicContact CG-CE2 3.89Å; R188-Y261 VanDerWaalsContact NH1-CE1 3.35Å; R188-Y261 PolarHBondContact NH1-OH 2.81Å |
| 189 | E | 94.1 | Very high | 85.7 | Confident | 160 Ų | 160 | 69.3 Ų | 69.3 | 75% | 0.748 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -65.7 | -15.9 | -175.3 | -56.9 | 70.4 | -151.1 | 0 | 0 | 112.1 | P187 F191 | P187-E189 VanDerWaalsContact CB-OE2 3.23Å; P187-E189 WeakPolarHBondContact CB-OE2 3.49Å; P187-E189 PolarHBondContact O-N 3.02Å; E189-F191 PolarHBondContact O-N 3.33Å |
| 190 | E | 93.3 | Very high | 86 | Confident | 35 Ų | 35 | 71 Ų | 71 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -76 | -9 | 172.4 | -61.4 | -168.8 | 165.7 | 0 | 0 | 113.1 | R186 P187 R188 W210 K211 | R186-E190 IonicContact CZ-OE1 3.64Å; R186-E190 IonicContact CZ-OE2 3.08Å; R186-E190 IonicContact NE-OE1 3.63Å; R186-E190 IonicContact NE-OE2 2.82Å; R186-E190 PolarHBondContact NE-OE2 3.18Å; R186-E190 VanDerWaalsContact NH2-CD 3.3Å; R186-E190 IonicContact NH2-OE1 2.87Å; R186-E190 PolarHBondContact NH2-OE1 3.48Å; R186-E190 IonicContact NH2-OE2 2.75Å; R186-E190 PolarHBondContact NH2-OE2 3.23Å; P187-E190 HydrophobicContact CB-CG 4.34Å; P187-E190 HydrophobicContact CG-CG 3.86Å; P187-E190 PolarHBondContact O-N 3.19Å; R188-E190 PolarHBondContact O-N 3.05Å; R188-E190 VanDerWaalsContact O-N 3.16Å; E190-W210 CarbonylContact O-C 3.48Å; E190-W210 WeakPolarHBondContact O-CA 3.19Å; E190-W210 PolarHBondContact OE2-NE1 3.35Å; E190-K211 HydrophobicContact CB-CG 4.17Å; E190-K211 HydrophobicContact CG-CG 4.34Å; E190-K211 PolarHBondContact O-N 2.85Å; E190-K211 WeakPolarHBondContact OE1-CE 3.12Å; E190-K211 IonicContact OE1-NZ 2.84Å; E190-K211 VanDerWaalsContact OE2-CE 3.25Å; E190-K211 WeakPolarHBondContact OE2-CE 3.49Å |
| 191 | F | 94.9 | Very high | 86.1 | Confident | 15 Ų | 15 | 76.9 Ų | 76.9 | 7% | 0.066 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.5 | -173.6 | -57.4 | -78.1 | 0 | 0 | 0 | 112.8 | R186 P187 R188 E189 L209 W210 I218 A252 V254 I263 | R186-F191 HydrophobicContact CB-CE2 3.63Å; R186-F191 HydrophobicContact CB-CZ 3.86Å; R186-F191 HydrophobicContact CG-CE2 4.48Å; R186-F191 HydrophobicContact CG-CZ 4.21Å; P187-F191 WeakPolarHBondContact O-CD2 3.41Å; P187-F191 WeakPolarHBondContact O-CE2 3.19Å; R188-F191 PolarHBondContact O-N 2.82Å; E189-F191 PolarHBondContact O-N 3.33Å; F191-L209 WeakPolarHBondContact CA-O 3.44Å; F191-W210 HydrophobicContact CD1-CB 3.97Å; F191-W210 AromaticContact CD1-CD1 3.91Å; F191-W210 HydrophobicContact CD1-CG 4.1Å; F191-W210 HydrophobicContact CE1-CB 3.78Å; F191-W210 AromaticContact CE1-CD1 3.37Å; F191-W210 HydrophobicContact CE1-CD2 4.09Å; F191-W210 AromaticContact CE1-CG 3.5Å; F191-W210 HydrophobicContact CE1-CG 3.5Å; F191-W210 AromaticContact CE1-NE1 3.93Å; F191-W210 AromaticContact CZ-CD1 3.75Å; F191-W210 HydrophobicContact CZ-CG 4.21Å; F191-W210 AromaticContact CZ-NE1 3.86Å; F191-I218 HydrophobicContact CB-CD1 3.96Å; F191-I218 HydrophobicContact CD1-CD1 4.39Å; F191-A252 HydrophobicContact CE1-CB 4.44Å; F191-A252 HydrophobicContact CZ-CB 3.74Å; F191-V254 HydrophobicContact CD2-CG2 3.75Å; F191-V254 HydrophobicContact CE2-CG2 3.65Å; F191-I263 HydrophobicContact CD1-CD1 4.5Å; F191-I263 HydrophobicContact CD1-CG1 3.89Å; F191-I263 HydrophobicContact CD1-CG2 4.4Å; F191-I263 HydrophobicContact CD2-CD1 4.42Å; F191-I263 HydrophobicContact CE1-CB 4.24Å; F191-I263 HydrophobicContact CE1-CD1 4.18Å; F191-I263 HydrophobicContact CE1-CG1 3.66Å; F191-I263 HydrophobicContact CE1-CG2 3.88Å; F191-I263 HydrophobicContact CE2-CD1 4.08Å; F191-I263 HydrophobicContact CE2-CG1 4.44Å; F191-I263 HydrophobicContact CG-CG1 4.38Å; F191-I263 HydrophobicContact CZ-CD1 3.95Å; F191-I263 HydrophobicContact CZ-CG1 3.96Å |
| 192 | T | 96.3 | Very high | 86.1 | Confident | 58 Ų | 58 | 76 Ų | 76 | 36% | 0.356 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.3 | 174.8 | -57.5 | 0 | 0 | 0 | 0 | 109.1 | G208 L209 D212 | T192-G208 CarbonylContact O-C 3.58Å; T192-G208 WeakPolarHBondContact O-CA 3.46Å; T192-L209 PolarHBondContact N-O 3.49Å; T192-L209 PolarHBondContact O-N 3.16Å; T192-D212 PolarHBondContact OG1-OD1 3.1Å |
| 193 | L | 96.9 | Very high | 87.1 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 129.1 | 170.3 | -64.5 | 174.5 | 0 | 0 | 0 | 109.2 | F206 I218 V220 | L193-F206 HydrophobicContact CD2-CB 3.79Å; L193-F206 HydrophobicContact CD2-CD2 4.18Å; L193-F206 HydrophobicContact CD2-CG 3.98Å; L193-I218 HydrophobicContact CD2-CB 3.89Å; L193-I218 HydrophobicContact CD2-CD1 3.94Å; L193-I218 HydrophobicContact CD2-CG1 4.48Å; L193-I218 HydrophobicContact CD2-CG2 3.78Å; L193-V220 HydrophobicContact CD1-CG2 4.35Å; L193-V220 HydrophobicContact CD2-CG2 3.96Å |
| 194 | C | 96.4 | Very high | 87.6 | Confident | 64 Ų | 64 | 69.8 Ų | 69.8 | 43% | 0.432 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -113.6 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 109.7 | E207 | C194-E207 WeakPolarHBondContact CA-O 3.31Å; C194-E207 VanDerWaalsContact CB-O 3.3Å; C194-E207 WeakPolarHBondContact CB-O 3.44Å; C194-E207 PolarHBondContact N-O 2.53Å |
| 195 | R | 95.4 | Very high | 87.9 | Confident | 155 Ų | 155 | 69.7 Ų | 69.7 | 59% | 0.585 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 145.4 | -179.5 | 65.8 | 172.5 | 175.5 | -176.1 | -6.1 | 111.8 | L197 F206 E207 | R195-L197 HydrophobicContact CG-CD2 4.45Å; R195-L197 PolarHBondContact O-N 2.89Å; R195-F206 CarbonylContact O-C 3.59Å; R195-F206 WeakPolarHBondContact O-CA 2.99Å; R195-E207 HydrophobicContact CG-CB 3.83Å; R195-E207 IonicContact CZ-OE2 2.63Å; R195-E207 IonicContact NE-OE2 3.16Å; R195-E207 PolarHBondContact NE-OE2 3.34Å; R195-E207 IonicContact NH2-OE2 3.72Å; R195-E207 PolarHBondContact NH2-OE2 2.67Å; R195-E207 PolarHBondContact O-N 3.33Å |
| 196 | K | 95.1 | Very high | 88.1 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 126.8 | 169.4 | -173.7 | 173.4 | 174.7 | 177.3 | 0 | 109.7 | G198 E204 F206 | K196-G198 WeakPolarHBondContact CE-O 3.4Å; K196-E204 WeakPolarHBondContact CE-OE1 3.31Å; K196-E204 IonicContact NZ-OE1 2.68Å; K196-E204 PolarHBondContact NZ-OE1 3.33Å; K196-F206 HydrophobicContact CB-CD1 3.94Å; K196-F206 HydrophobicContact CB-CE1 3.75Å; K196-F206 HydrophobicContact CB-CZ 4.39Å; K196-F206 HydrophobicContact CD-CZ 4.46Å; K196-F206 HydrophobicContact CG-CD1 4.5Å; K196-F206 HydrophobicContact CG-CE1 4.2Å; K196-F206 HydrophobicContact CG-CZ 4.36Å |
| 197 | L | 90.5 | Very high | 88.4 | Confident | 76 Ų | 76 | 66.3 Ų | 66.3 | 40% | 0.398 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -35.7 | 175.9 | -64.6 | 173.6 | 0 | 0 | 0 | 111.4 | R195 V205 E207 L266 | R195-L197 HydrophobicContact CG-CD2 4.45Å; R195-L197 PolarHBondContact O-N 2.89Å; L197-V205 HydrophobicContact CB-CG1 4.42Å; L197-V205 HydrophobicContact CD1-CG1 4.32Å; L197-V205 PolarHBondContact N-O 3.13Å; L197-E207 HydrophobicContact CD1-CB 4.03Å; L197-E207 HydrophobicContact CD2-CB 4.07Å; L197-E207 HydrophobicContact CG-CB 4.03Å; L197-L266 HydrophobicContact CD1-CD1 3.72Å |
| 198 | G | 85.9 | Confident | 88.6 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | -179.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K196 V205 | K196-G198 WeakPolarHBondContact CE-O 3.4Å; G198-V205 PolarHBondContact N-O 3.15Å; G198-V205 VanDerWaalsContact N-O 3.12Å; G198-V205 PolarHBondContact O-N 3.43Å |
| 199 | S | 82.3 | Confident | 88.5 | Confident | 92 Ų | 92 | 63.2 Ų | 63.2 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 126.2 | 172.2 | 51.3 | 0 | 0 | 0 | 0 | 109 | ||
| 200 | G | 67.7 | Low | 88.3 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 54% | 0.536 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -178.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F202 G203 | G200-F202 PolarHBondContact O-N 2.82Å; G200-G203 PolarHBondContact N-O 3.16Å; G200-G203 PolarHBondContact O-N 2.9Å |
| 201 | Y | 64.1 | Low | 88 | Confident | 149 Ų | 149 | 58.1 Ų | 58.1 | 58% | 0.584 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -32.6 | 178.5 | -174.3 | -97.9 | 0 | 0 | 0 | 112.9 | H228 | Y201-H228 AromaticContact CD1-NE2 3.94Å; Y201-H228 AromaticContact CE1-NE2 3.28Å; Y201-H228 VanDerWaalsContact CE1-NE2 3.28Å; Y201-H228 WeakPolarHBondContact CE1-NE2 3.5Å; Y201-H228 AromaticContact CZ-NE2 4Å |
| 202 | F | 64.1 | Low | 87.5 | Confident | 29 Ų | 29 | 62.7 Ų | 62.7 | 13% | 0.127 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -4.8 | -174.4 | -61.6 | -77.8 | 0 | 0 | 0 | 114.6 | G200 I221 H228 T231 | G200-F202 PolarHBondContact O-N 2.82Å; F202-I221 WeakPolarHBondContact O-CG1 3.43Å; F202-I221 WeakPolarHBondContact O-CG2 3.32Å; F202-H228 AromaticContact CD1-CD2 3.44Å; F202-H228 VanDerWaalsContact CD1-CD2 3.44Å; F202-H228 WeakPolarHBondContact CD1-CD2 3.39Å; F202-H228 AromaticContact CE1-CD2 3.57Å; F202-T231 HydrophobicContact CE1-CG2 3.68Å; F202-T231 HydrophobicContact CZ-CG2 4.08Å |
| 203 | G | 79.1 | Confident | 86.8 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.9 | -169.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G200 V220 | G200-G203 PolarHBondContact N-O 3.16Å; G200-G203 PolarHBondContact O-N 2.9Å; G203-V220 WeakPolarHBondContact CA-O 3.5Å |
| 204 | E | 89.6 | Confident | 86.2 | Confident | 81 Ų | 81 | 66.3 Ų | 66.3 | 38% | 0.379 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 145.2 | -178.4 | -62.8 | -178.6 | 119 | 0 | 0 | 110.2 | K196 F206 K219 V220 | K196-E204 WeakPolarHBondContact CE-OE1 3.31Å; K196-E204 IonicContact NZ-OE1 2.68Å; K196-E204 PolarHBondContact NZ-OE1 3.33Å; E204-F206 HydrophobicContact CB-CD2 4.26Å; E204-F206 HydrophobicContact CB-CE2 3.53Å; E204-F206 HydrophobicContact CB-CZ 4.26Å; E204-K219 CarbonylContact O-C 3.45Å; E204-K219 WeakPolarHBondContact O-CA 3.45Å; E204-V220 PolarHBondContact N-O 2.75Å; E204-V220 VanDerWaalsContact N-O 3.09Å; E204-V220 PolarHBondContact O-N 3.44Å |
| 205 | V | 92.1 | Very high | 85.9 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.4 | 176.8 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | L197 G198 A217 I218 K219 | L197-V205 HydrophobicContact CB-CG1 4.42Å; L197-V205 HydrophobicContact CD1-CG1 4.32Å; L197-V205 PolarHBondContact N-O 3.13Å; G198-V205 PolarHBondContact N-O 3.15Å; G198-V205 VanDerWaalsContact N-O 3.12Å; G198-V205 PolarHBondContact O-N 3.43Å; V205-A217 HydrophobicContact CG1-CB 4.46Å; V205-I218 WeakPolarHBondContact CA-O 3.33Å; V205-K219 HydrophobicContact CG2-CB 4.33Å; V205-K219 HydrophobicContact CG2-CG 4.19Å |
| 206 | F | 95.6 | Very high | 85.8 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 148.2 | 178.6 | -66.7 | -100.8 | 0 | 0 | 0 | 110.2 | L193 R195 K196 E204 A217 I218 V220 | L193-F206 HydrophobicContact CD2-CB 3.79Å; L193-F206 HydrophobicContact CD2-CD2 4.18Å; L193-F206 HydrophobicContact CD2-CG 3.98Å; R195-F206 CarbonylContact O-C 3.59Å; R195-F206 WeakPolarHBondContact O-CA 2.99Å; K196-F206 HydrophobicContact CB-CD1 3.94Å; K196-F206 HydrophobicContact CB-CE1 3.75Å; K196-F206 HydrophobicContact CB-CZ 4.39Å; K196-F206 HydrophobicContact CD-CZ 4.46Å; K196-F206 HydrophobicContact CG-CD1 4.5Å; K196-F206 HydrophobicContact CG-CE1 4.2Å; K196-F206 HydrophobicContact CG-CZ 4.36Å; E204-F206 HydrophobicContact CB-CD2 4.26Å; E204-F206 HydrophobicContact CB-CE2 3.53Å; E204-F206 HydrophobicContact CB-CZ 4.26Å; F206-A217 CarbonylContact O-C 3.53Å; F206-A217 WeakPolarHBondContact O-CA 3.43Å; F206-I218 PolarHBondContact N-O 2.94Å; F206-I218 PolarHBondContact O-N 3.43Å; F206-V220 HydrophobicContact CD2-CB 4.41Å; F206-V220 HydrophobicContact CD2-CG2 3.67Å; F206-V220 HydrophobicContact CE2-CB 4.31Å; F206-V220 HydrophobicContact CE2-CG2 3.93Å |
| 207 | E | 96.6 | Very high | 85.8 | Confident | 22 Ų | 22 | 56.7 Ų | 56.7 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 141.1 | 154.3 | -179.3 | 171.8 | 162.2 | 0 | 0 | 107.2 | C194 R195 L197 Q215 L266 | C194-E207 WeakPolarHBondContact CA-O 3.31Å; C194-E207 VanDerWaalsContact CB-O 3.3Å; C194-E207 WeakPolarHBondContact CB-O 3.44Å; C194-E207 PolarHBondContact N-O 2.53Å; R195-E207 HydrophobicContact CG-CB 3.83Å; R195-E207 IonicContact CZ-OE2 2.63Å; R195-E207 IonicContact NE-OE2 3.16Å; R195-E207 PolarHBondContact NE-OE2 3.34Å; R195-E207 IonicContact NH2-OE2 3.72Å; R195-E207 PolarHBondContact NH2-OE2 2.67Å; R195-E207 PolarHBondContact O-N 3.33Å; L197-E207 HydrophobicContact CD1-CB 4.03Å; L197-E207 HydrophobicContact CD2-CB 4.07Å; L197-E207 HydrophobicContact CG-CB 4.03Å; E207-Q215 PolarHBondContact OE1-NE2 3.23Å; E207-L266 HydrophobicContact CG-CD1 4.37Å; E207-L266 HydrophobicContact CG-CD2 3.93Å |
| 208 | G | 95.9 | Very high | 86 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 179.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T192 V216 | T192-G208 CarbonylContact O-C 3.58Å; T192-G208 WeakPolarHBondContact O-CA 3.46Å; G208-V216 PolarHBondContact N-O 2.78Å; G208-V216 WeakPolarHBondContact O-CG2 3.4Å; G208-V216 PolarHBondContact O-N 3.1Å |
| 209 | L | 92.7 | Very high | 86.3 | Confident | 47 Ų | 47 | 53.2 Ų | 53.2 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.3 | 176.3 | -64.2 | 169 | 0 | 0 | 0 | 109.8 | F191 T192 V214 Q215 | F191-L209 WeakPolarHBondContact CA-O 3.44Å; T192-L209 PolarHBondContact N-O 3.49Å; T192-L209 PolarHBondContact O-N 3.16Å; L209-V214 CarbonylContact C-O 3.53Å; L209-V214 WeakPolarHBondContact CA-O 3.3Å; L209-Q215 HydrophobicContact CD2-CG 4Å |
| 210 | W | 89.8 | Confident | 86.7 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.015 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.8 | 166.3 | -177.8 | 25.2 | 0 | 0 | 0 | 109.6 | P179 W181 E190 F191 D212 R213 V214 V216 | P179-W210 HydrophobicContact CB-CH2 4.38Å; P179-W210 HydrophobicContact CB-CZ3 4.36Å; P179-W210 HydrophobicContact CG-CE3 4.39Å; P179-W210 HydrophobicContact CG-CZ3 4.26Å; W181-W210 HydrophobicContact CB-CH2 4Å; W181-W210 AromaticContact CD1-CH2 3.55Å; W181-W210 AromaticContact CD1-CZ3 3.85Å; W181-W210 AromaticContact CG-CH2 3.89Å; W181-W210 HydrophobicContact CG-CH2 3.89Å; E190-W210 CarbonylContact O-C 3.48Å; E190-W210 WeakPolarHBondContact O-CA 3.19Å; E190-W210 PolarHBondContact OE2-NE1 3.35Å; F191-W210 HydrophobicContact CD1-CB 3.97Å; F191-W210 AromaticContact CD1-CD1 3.91Å; F191-W210 HydrophobicContact CD1-CG 4.1Å; F191-W210 HydrophobicContact CE1-CB 3.78Å; F191-W210 AromaticContact CE1-CD1 3.37Å; F191-W210 HydrophobicContact CE1-CD2 4.09Å; F191-W210 AromaticContact CE1-CG 3.5Å; F191-W210 HydrophobicContact CE1-CG 3.5Å; F191-W210 AromaticContact CE1-NE1 3.93Å; F191-W210 AromaticContact CZ-CD1 3.75Å; F191-W210 HydrophobicContact CZ-CG 4.21Å; F191-W210 AromaticContact CZ-NE1 3.86Å; W210-D212 PolarHBondContact O-N 2.9Å; W210-R213 PolarHBondContact O-N 3.41Å; W210-V214 HydrophobicContact CB-CB 4.31Å; W210-V214 PolarHBondContact N-O 3.34Å; W210-V214 PolarHBondContact O-N 3.07Å; W210-V214 VanDerWaalsContact O-N 3.12Å; W210-V216 HydrophobicContact CB-CG1 4.14Å; W210-V216 HydrophobicContact CB-CG2 4.49Å |
| 211 | K | 86.9 | Confident | 87.5 | Confident | 84 Ų | 84 | 47.7 Ų | 47.7 | 37% | 0.365 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 36.5 | -174.9 | -63.2 | 175.8 | -179.3 | 178.1 | 0 | 112.6 | E190 R213 | E190-K211 HydrophobicContact CB-CG 4.17Å; E190-K211 HydrophobicContact CG-CG 4.34Å; E190-K211 PolarHBondContact O-N 2.85Å; E190-K211 WeakPolarHBondContact OE1-CE 3.12Å; E190-K211 IonicContact OE1-NZ 2.84Å; E190-K211 VanDerWaalsContact OE2-CE 3.25Å; E190-K211 WeakPolarHBondContact OE2-CE 3.49Å; K211-R213 WeakPolarHBondContact O-CG 3.02Å; K211-R213 PolarHBondContact O-N 3.45Å; K211-R213 VanDerWaalsContact O-N 3.07Å |
| 212 | D | 84.9 | Confident | 88.5 | Confident | 112 Ų | 112 | 43.2 Ų | 43.2 | 60% | 0.599 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 23.7 | -176.7 | -56.8 | -44.1 | 0 | 0 | 0 | 115.1 | T192 W210 | T192-D212 PolarHBondContact OG1-OD1 3.1Å; W210-D212 PolarHBondContact O-N 2.9Å |
| 213 | R | 81.8 | Confident | 88.9 | Confident | 174 Ų | 174 | 46.1 Ų | 46.1 | 66% | 0.657 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | -47.7 | -174.7 | -71.1 | 175.4 | -168.8 | -162.4 | 5.3 | 113.2 | W210 K211 | W210-R213 PolarHBondContact O-N 3.41Å; K211-R213 WeakPolarHBondContact O-CG 3.02Å; K211-R213 PolarHBondContact O-N 3.45Å; K211-R213 VanDerWaalsContact O-N 3.07Å |
| 214 | V | 83.1 | Confident | 88.5 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 16% | 0.158 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.5 | -171.1 | -176 | 0 | 0 | 0 | 0 | 109.3 | P179 L209 W210 V216 | P179-V214 HydrophobicContact CG-CG2 3.78Å; L209-V214 CarbonylContact C-O 3.53Å; L209-V214 WeakPolarHBondContact CA-O 3.3Å; W210-V214 HydrophobicContact CB-CB 4.31Å; W210-V214 PolarHBondContact N-O 3.34Å; W210-V214 PolarHBondContact O-N 3.07Å; W210-V214 VanDerWaalsContact O-N 3.12Å; V214-V216 HydrophobicContact CG1-CG1 4.21Å; V214-V216 PolarHBondContact O-N 3.42Å |
| 215 | Q | 90 | Very high | 87.4 | Confident | 104 Ų | 104 | 51 Ų | 51 | 49% | 0.486 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 130.7 | 172.6 | -71.2 | -176.5 | -66.6 | 0 | 0 | 110.8 | E207 L209 L266 | E207-Q215 PolarHBondContact OE1-NE2 3.23Å; L209-Q215 HydrophobicContact CD2-CG 4Å; Q215-L266 HydrophobicContact CB-CD2 3.88Å |
| 216 | V | 93.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.9 | -177.3 | -65.3 | 0 | 0 | 0 | 0 | 110.9 | G208 W210 V214 I218 Y251 I263 | G208-V216 PolarHBondContact N-O 2.78Å; G208-V216 WeakPolarHBondContact O-CG2 3.4Å; G208-V216 PolarHBondContact O-N 3.1Å; W210-V216 HydrophobicContact CB-CG1 4.14Å; W210-V216 HydrophobicContact CB-CG2 4.49Å; V214-V216 HydrophobicContact CG1-CG1 4.21Å; V214-V216 PolarHBondContact O-N 3.42Å; V216-I218 HydrophobicContact CG2-CD1 4.01Å; V216-I218 HydrophobicContact CG2-CG1 3.8Å; V216-Y251 HydrophobicContact CG1-CD2 3.87Å; V216-Y251 HydrophobicContact CG1-CE2 4.29Å; V216-I263 HydrophobicContact CB-CG2 3.72Å; V216-I263 HydrophobicContact CG1-CG2 3.86Å; V216-I263 HydrophobicContact CG2-CG2 3.94Å |
| 217 | A | 95.1 | Very high | 83.7 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 131.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V205 F206 I263 T264 L266 | V205-A217 HydrophobicContact CG1-CB 4.46Å; F206-A217 CarbonylContact O-C 3.53Å; F206-A217 WeakPolarHBondContact O-CA 3.43Å; A217-I263 WeakPolarHBondContact O-CA 3.48Å; A217-T264 PolarHBondContact N-O 3.38Å; A217-T264 PolarHBondContact O-N 3.41Å; A217-L266 HydrophobicContact CB-CD1 4.18Å |
| 218 | I | 94.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 107.5 | -177.3 | -53 | 180 | 0 | 0 | 0 | 108.4 | F191 L193 V205 F206 V216 V220 Y261 I263 | F191-I218 HydrophobicContact CB-CD1 3.96Å; F191-I218 HydrophobicContact CD1-CD1 4.39Å; L193-I218 HydrophobicContact CD2-CB 3.89Å; L193-I218 HydrophobicContact CD2-CD1 3.94Å; L193-I218 HydrophobicContact CD2-CG1 4.48Å; L193-I218 HydrophobicContact CD2-CG2 3.78Å; V205-I218 WeakPolarHBondContact CA-O 3.33Å; F206-I218 PolarHBondContact N-O 2.94Å; F206-I218 PolarHBondContact O-N 3.43Å; V216-I218 HydrophobicContact CG2-CD1 4.01Å; V216-I218 HydrophobicContact CG2-CG1 3.8Å; I218-V220 HydrophobicContact CG2-CG2 4.13Å; I218-Y261 HydrophobicContact CG2-CD1 4.07Å; I218-Y261 HydrophobicContact CG2-CD2 3.94Å; I218-Y261 HydrophobicContact CG2-CE2 4.47Å; I218-Y261 HydrophobicContact CG2-CG 3.73Å; I218-I263 HydrophobicContact CG1-CG1 4.3Å |
| 219 | K | 91.6 | Very high | 80.8 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 14% | 0.139 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.8 | 171.5 | -173.9 | 178.2 | 180 | -174.7 | 0 | 108.6 | E204 V205 I221 E235 Y261 I262 | E204-K219 CarbonylContact O-C 3.45Å; E204-K219 WeakPolarHBondContact O-CA 3.45Å; V205-K219 HydrophobicContact CG2-CB 4.33Å; V205-K219 HydrophobicContact CG2-CG 4.19Å; K219-I221 HydrophobicContact CD-CD1 4.2Å; K219-I221 HydrophobicContact CG-CD1 4.16Å; K219-I221 HydrophobicContact CG-CG1 4.09Å; K219-E235 VanDerWaalsContact NZ-CD 3.26Å; K219-E235 IonicContact NZ-OE1 3.75Å; K219-E235 PolarHBondContact NZ-OE1 2.85Å; K219-E235 IonicContact NZ-OE2 3.5Å; K219-E235 PolarHBondContact NZ-OE2 3.18Å; K219-Y261 WeakPolarHBondContact O-CA 3.46Å; K219-I262 HydrophobicContact CB-CB 4.23Å; K219-I262 HydrophobicContact CD-CD1 4.24Å; K219-I262 PolarHBondContact N-O 2.82Å; K219-I262 PolarHBondContact O-N 3Å |
| 220 | V | 91.3 | Very high | 79.8 | Confident | 20 Ų | 20 | 70 Ų | 70 | 12% | 0.121 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120 | -176.9 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | L193 G203 E204 F206 I218 P259 Y261 | L193-V220 HydrophobicContact CD1-CG2 4.35Å; L193-V220 HydrophobicContact CD2-CG2 3.96Å; G203-V220 WeakPolarHBondContact CA-O 3.5Å; E204-V220 PolarHBondContact N-O 2.75Å; E204-V220 VanDerWaalsContact N-O 3.09Å; E204-V220 PolarHBondContact O-N 3.44Å; F206-V220 HydrophobicContact CD2-CB 4.41Å; F206-V220 HydrophobicContact CD2-CG2 3.67Å; F206-V220 HydrophobicContact CE2-CB 4.31Å; F206-V220 HydrophobicContact CE2-CG2 3.93Å; I218-V220 HydrophobicContact CG2-CG2 4.13Å; V220-P259 HydrophobicContact CG1-CB 3.67Å; V220-P259 HydrophobicContact CG1-CG 3.64Å; V220-Y261 HydrophobicContact CB-CD1 4.31Å; V220-Y261 HydrophobicContact CB-CE1 4.21Å; V220-Y261 HydrophobicContact CG1-CD1 4.25Å; V220-Y261 HydrophobicContact CG1-CE1 3.83Å; V220-Y261 HydrophobicContact CG2-CD1 3.85Å; V220-Y261 HydrophobicContact CG2-CE1 3.64Å |
| 221 | I | 85.6 | Confident | 78.9 | Confident | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.036 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 119.1 | -173.1 | -52.9 | 177 | 0 | 0 | 0 | 109 | F202 K219 L232 P259 V260 I262 | F202-I221 WeakPolarHBondContact O-CG1 3.43Å; F202-I221 WeakPolarHBondContact O-CG2 3.32Å; K219-I221 HydrophobicContact CD-CD1 4.2Å; K219-I221 HydrophobicContact CG-CD1 4.16Å; K219-I221 HydrophobicContact CG-CG1 4.09Å; I221-L232 HydrophobicContact CD1-CD1 3.5Å; I221-L232 VanDerWaalsContact CD1-CD1 3.5Å; I221-L232 HydrophobicContact CD1-CD2 4.31Å; I221-L232 HydrophobicContact CD1-CG 4.46Å; I221-L232 HydrophobicContact CG2-CD2 4.34Å; I221-P259 CarbonylContact O-C 3.52Å; I221-P259 WeakPolarHBondContact O-CB 3.33Å; I221-V260 HydrophobicContact CB-CB 4.5Å; I221-V260 PolarHBondContact N-O 3.43Å; I221-V260 PolarHBondContact O-N 3.4Å; I221-I262 HydrophobicContact CD1-CD1 3.98Å; I221-I262 HydrophobicContact CD1-CG1 4.28Å |
| 222 | S | 83.3 | Confident | 78.4 | Confident | 56 Ų | 56 | 68.2 Ų | 68.2 | 39% | 0.392 | 34% | 0.339 | S | S | . | . | trans | -69.4 | 136.4 | 173.9 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | D224 | S222-D224 VanDerWaalsContact C-N 3.31Å; S222-D224 PolarHBondContact O-N 2.82Å; S222-D224 PolarHBondContact OG-N 2.8Å | ||
| 223 | R | 74.3 | Confident | 78.1 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 34% | 0.336 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -27.8 | 176.8 | -78.6 | -172.4 | -170.5 | -114.2 | -0.2 | 114.2 | N225 S255 G257 D258 V260 | R223-N225 PolarHBondContact O-N 2.86Å; R223-S255 PolarHBondContact NH2-O 2.82Å; R223-G257 PolarHBondContact NE-O 2.8Å; R223-G257 PolarHBondContact NH2-O 2.74Å; R223-D258 HydrophobicContact CB-CB 4.44Å; R223-D258 VanDerWaalsContact CB-OD1 3.28Å; R223-D258 WeakPolarHBondContact CB-OD1 3.28Å; R223-D258 HydrophobicContact CG-CB 4.15Å; R223-D258 VanDerWaalsContact CG-OD1 3.31Å; R223-D258 WeakPolarHBondContact CG-OD1 3.3Å; R223-D258 PolarHBondContact N-OD1 2.87Å; R223-V260 HydrophobicContact CG-CG2 4.15Å |
| 224 | D | 70.6 | Confident | 77.9 | Confident | 139 Ų | 139 | 62.7 Ų | 62.7 | 74% | 0.743 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.1 | -177.7 | -69.6 | -21.1 | 0 | 0 | 0 | 112.3 | S222 L226 | S222-D224 VanDerWaalsContact C-N 3.31Å; S222-D224 PolarHBondContact O-N 2.82Å; S222-D224 PolarHBondContact OG-N 2.8Å; D224-L226 PolarHBondContact O-N 3.37Å |
| 225 | N | 66.3 | Low | 77.8 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | trans | -79.1 | 60.9 | 172.4 | -136.6 | -12.2 | 0 | 0 | 0 | 110.9 | R223 L227 H228 | R223-N225 PolarHBondContact O-N 2.86Å; N225-L227 PolarHBondContact O-N 2.79Å; N225-H228 PolarHBondContact ND2-CE1 3.41Å; N225-H228 PolarHBondContact ND2-ND1 2.72Å; N225-H228 WeakPolarHBondContact O-CB 3.47Å; N225-H228 PolarHBondContact O-N 3.48Å; N225-H228 PolarHBondContact O-ND1 2.96Å; N225-H228 PolarHBondContact OD1-CE1 3.25Å; N225-H228 PolarHBondContact OD1-ND1 2.75Å | ||
| 226 | L | 52.5 | Low | 77.5 | Confident | 128 Ų | 128 | 57.1 Ų | 57.1 | 67% | 0.67 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -53.7 | -27.3 | -172.7 | -71.9 | 167.6 | 0 | 0 | 0 | 114.8 | D224 H228 | D224-L226 PolarHBondContact O-N 3.37Å; L226-H228 PolarHBondContact O-N 2.98Å |
| 227 | L | 56.4 | Low | 77.1 | Confident | 154 Ų | 154 | 61.2 Ų | 61.2 | 81% | 0.806 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -64.7 | -19 | 174 | -77.6 | 159.3 | 0 | 0 | 0 | 113.3 | N225 | N225-L227 PolarHBondContact O-N 2.79Š|
| 228 | H | 63.1 | Low | 76.6 | Confident | 18 Ų | 18 | 60.8 Ų | 60.8 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -100.4 | -6.2 | -173.8 | -59.3 | 87.9 | 0 | 0 | 0 | 113.7 | Y201 F202 N225 L226 Q230 T231 L232 | Y201-H228 AromaticContact CD1-NE2 3.94Å; Y201-H228 AromaticContact CE1-NE2 3.28Å; Y201-H228 VanDerWaalsContact CE1-NE2 3.28Å; Y201-H228 WeakPolarHBondContact CE1-NE2 3.5Å; Y201-H228 AromaticContact CZ-NE2 4Å; F202-H228 AromaticContact CD1-CD2 3.44Å; F202-H228 VanDerWaalsContact CD1-CD2 3.44Å; F202-H228 WeakPolarHBondContact CD1-CD2 3.39Å; F202-H228 AromaticContact CE1-CD2 3.57Å; N225-H228 PolarHBondContact ND2-CE1 3.41Å; N225-H228 PolarHBondContact ND2-ND1 2.72Å; N225-H228 WeakPolarHBondContact O-CB 3.47Å; N225-H228 PolarHBondContact O-N 3.48Å; N225-H228 PolarHBondContact O-ND1 2.96Å; N225-H228 PolarHBondContact OD1-CE1 3.25Å; N225-H228 PolarHBondContact OD1-ND1 2.75Å; L226-H228 PolarHBondContact O-N 2.98Å; H228-Q230 PolarHBondContact O-N 3.25Å; H228-T231 PolarHBondContact O-N 3.14Å; H228-L232 WeakPolarHBondContact O-CB 3.19Å; H228-L232 PolarHBondContact O-N 3.47Å |
| 229 | Q | 68.4 | Low | 76.1 | Confident | 85 Ų | 85 | 61 Ų | 61 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | -177.8 | -72.1 | -168.4 | -13.3 | 0 | 0 | 112.5 | Q233 | Q229-Q233 WeakPolarHBondContact O-CB 3.18Å; Q229-Q233 VanDerWaalsContact O-CG 3.24Å; Q229-Q233 WeakPolarHBondContact O-CG 3.26Å; Q229-Q233 PolarHBondContact O-N 3.09Å |
| 230 | Q | 71.6 | Confident | 75.9 | Confident | 161 Ų | 161 | 62.2 Ų | 62.2 | 75% | 0.752 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.4 | -44.5 | 176.2 | -69.6 | -177.3 | -1.1 | 0 | 0 | 111.3 | H228 L232 Q233 L234 | H228-Q230 PolarHBondContact O-N 3.25Å; Q230-L232 PolarHBondContact O-N 2.9Å; Q230-Q233 PolarHBondContact O-N 2.9Å; Q230-L234 VanDerWaalsContact O-CG 3.27Å; Q230-L234 WeakPolarHBondContact O-CG 3.3Å; Q230-L234 PolarHBondContact O-N 2.69Å |
| 231 | T | 70.9 | Confident | 75.6 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 177.4 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | F202 H228 L234 E235 G332 | F202-T231 HydrophobicContact CE1-CG2 3.68Å; F202-T231 HydrophobicContact CZ-CG2 4.08Å; H228-T231 PolarHBondContact O-N 3.14Å; T231-L234 PolarHBondContact O-N 2.99Å; T231-E235 WeakPolarHBondContact O-CB 3.37Å; T231-E235 PolarHBondContact O-N 2.73Å; T231-G332 WeakPolarHBondContact CG2-O 3.48Å |
| 232 | L | 76.7 | Confident | 75.7 | Confident | 13 Ų | 13 | 67 Ų | 67 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 175.4 | 174.3 | 56.2 | 0 | 0 | 0 | 112 | I221 H228 Q230 L234 E235 I236 V260 I262 | I221-L232 HydrophobicContact CD1-CD1 3.5Å; I221-L232 VanDerWaalsContact CD1-CD1 3.5Å; I221-L232 HydrophobicContact CD1-CD2 4.31Å; I221-L232 HydrophobicContact CD1-CG 4.46Å; I221-L232 HydrophobicContact CG2-CD2 4.34Å; H228-L232 WeakPolarHBondContact O-CB 3.19Å; H228-L232 PolarHBondContact O-N 3.47Å; Q230-L232 PolarHBondContact O-N 2.9Å; L232-L234 VanDerWaalsContact C-N 3.31Å; L232-L234 PolarHBondContact O-N 2.98Å; L232-E235 PolarHBondContact O-N 2.9Å; L232-I236 HydrophobicContact CD1-CD1 3.74Å; L232-I236 HydrophobicContact CD1-CG1 4.17Å; L232-I236 HydrophobicContact CG-CD1 3.95Å; L232-I236 WeakPolarHBondContact O-CB 3.36Å; L232-I236 VanDerWaalsContact O-CG1 3.3Å; L232-I236 WeakPolarHBondContact O-CG1 3.36Å; L232-I236 PolarHBondContact O-N 2.96Å; L232-V260 HydrophobicContact CD2-CB 4.25Å; L232-V260 HydrophobicContact CD2-CG1 3.95Å; L232-V260 HydrophobicContact CD2-CG2 4.4Å; L232-I262 HydrophobicContact CD1-CD1 3.42Å; L232-I262 VanDerWaalsContact CD1-CD1 3.42Å; L232-I262 HydrophobicContact CD1-CG1 3.94Å |
| 233 | Q | 80 | Confident | 75.8 | Confident | 97 Ų | 97 | 69.2 Ų | 69.2 | 45% | 0.453 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 175.6 | -71.8 | -64.3 | -33.1 | 0 | 0 | 111.2 | Q229 Q230 I236 Q237 | Q229-Q233 WeakPolarHBondContact O-CB 3.18Å; Q229-Q233 VanDerWaalsContact O-CG 3.24Å; Q229-Q233 WeakPolarHBondContact O-CG 3.26Å; Q229-Q233 PolarHBondContact O-N 3.09Å; Q230-Q233 PolarHBondContact O-N 2.9Å; Q233-I236 PolarHBondContact O-N 2.75Å; Q233-Q237 VanDerWaalsContact O-CB 3.31Å; Q233-Q237 WeakPolarHBondContact O-CB 3.39Å; Q233-Q237 WeakPolarHBondContact O-CG 3.4Å; Q233-Q237 PolarHBondContact O-N 2.83Å |
| 234 | L | 76.8 | Confident | 76.4 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 39% | 0.387 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 175.4 | -69.5 | 167.9 | 0 | 0 | 0 | 112.2 | Q230 T231 L232 Q237 A238 | Q230-L234 VanDerWaalsContact O-CG 3.27Å; Q230-L234 WeakPolarHBondContact O-CG 3.3Å; Q230-L234 PolarHBondContact O-N 2.69Å; T231-L234 PolarHBondContact O-N 2.99Å; L232-L234 VanDerWaalsContact C-N 3.31Å; L232-L234 PolarHBondContact O-N 2.98Å; L234-Q237 PolarHBondContact O-N 3.19Å; L234-A238 WeakPolarHBondContact O-CB 3.19Å; L234-A238 PolarHBondContact O-N 2.72Å |
| 235 | E | 80.8 | Confident | 77.2 | Confident | 9 Ų | 9 | 64 Ų | 64 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58 | -51 | 175.6 | -173.3 | 176 | -174.6 | 0 | 0 | 110.2 | K219 T231 L232 Q237 A238 M239 F331 | K219-E235 VanDerWaalsContact NZ-CD 3.26Å; K219-E235 IonicContact NZ-OE1 3.75Å; K219-E235 PolarHBondContact NZ-OE1 2.85Å; K219-E235 IonicContact NZ-OE2 3.5Å; K219-E235 PolarHBondContact NZ-OE2 3.18Å; T231-E235 WeakPolarHBondContact O-CB 3.37Å; T231-E235 PolarHBondContact O-N 2.73Å; L232-E235 PolarHBondContact O-N 2.9Å; E235-Q237 PolarHBondContact O-N 2.79Å; E235-A238 PolarHBondContact O-N 3.5Å; E235-M239 HydrophobicContact CG-SD 4.17Å; E235-M239 VanDerWaalsContact O-CG 3.29Å; E235-M239 WeakPolarHBondContact O-CG 3.49Å; E235-M239 PolarHBondContact O-N 2.9Å; E235-F331 HydrophobicContact CG-CB 4.13Å |
| 236 | I | 83.8 | Confident | 78.5 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60 | -46.8 | 177.5 | -68.9 | 164.1 | 0 | 0 | 0 | 111.1 | L232 Q233 A238 M239 K240 V253 I262 | L232-I236 HydrophobicContact CD1-CD1 3.74Å; L232-I236 HydrophobicContact CD1-CG1 4.17Å; L232-I236 HydrophobicContact CG-CD1 3.95Å; L232-I236 WeakPolarHBondContact O-CB 3.36Å; L232-I236 VanDerWaalsContact O-CG1 3.3Å; L232-I236 WeakPolarHBondContact O-CG1 3.36Å; L232-I236 PolarHBondContact O-N 2.96Å; Q233-I236 PolarHBondContact O-N 2.75Å; I236-A238 VanDerWaalsContact C-N 3.33Å; I236-A238 PolarHBondContact O-N 3.21Å; I236-M239 PolarHBondContact O-N 2.75Å; I236-K240 HydrophobicContact CG2-CD 4.03Å; I236-K240 HydrophobicContact CG2-CG 4.28Å; I236-K240 WeakPolarHBondContact O-CB 3.44Å; I236-K240 VanDerWaalsContact O-CG 3.28Å; I236-K240 WeakPolarHBondContact O-CG 3.45Å; I236-K240 PolarHBondContact O-N 2.83Å; I236-V253 HydrophobicContact CD1-CG1 3.91Å; I236-V253 HydrophobicContact CD1-CG2 4.46Å; I236-V253 HydrophobicContact CG1-CG2 4.31Å; I236-V253 HydrophobicContact CG2-CG2 3.96Å; I236-I262 HydrophobicContact CG1-CD1 4.21Å; I236-I262 HydrophobicContact CG1-CG1 4.38Å |
| 237 | Q | 85.1 | Confident | 80.4 | Confident | 85 Ų | 85 | 54.8 Ų | 54.8 | 40% | 0.397 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.1 | -35 | -178.6 | -70.8 | -65.7 | -27.7 | 0 | 0 | 112.6 | Q233 L234 E235 K241 | Q233-Q237 VanDerWaalsContact O-CB 3.31Å; Q233-Q237 WeakPolarHBondContact O-CB 3.39Å; Q233-Q237 WeakPolarHBondContact O-CG 3.4Å; Q233-Q237 PolarHBondContact O-N 2.83Å; L234-Q237 PolarHBondContact O-N 3.19Å; E235-Q237 PolarHBondContact O-N 2.79Å; Q237-K241 WeakPolarHBondContact O-CG 3.37Å |
| 238 | A | 84 | Confident | 82.2 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -54.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | L234 E235 I236 K240 K241 L242 Y308 | L234-A238 WeakPolarHBondContact O-CB 3.19Å; L234-A238 PolarHBondContact O-N 2.72Å; E235-A238 PolarHBondContact O-N 3.5Å; I236-A238 VanDerWaalsContact C-N 3.33Å; I236-A238 PolarHBondContact O-N 3.21Å; A238-K240 VanDerWaalsContact C-N 3.28Å; A238-K240 PolarHBondContact O-N 3.21Å; A238-K241 PolarHBondContact O-N 2.97Å; A238-L242 HydrophobicContact CB-CD1 4.13Å; A238-L242 WeakPolarHBondContact O-CB 3.41Å; A238-L242 VanDerWaalsContact O-CG 3.24Å; A238-L242 WeakPolarHBondContact O-CG 3.44Å; A238-L242 PolarHBondContact O-N 3.09Å; A238-Y308 HydrophobicContact CB-CD1 4.47Å; A238-Y308 HydrophobicContact CB-CE1 3.68Å |
| 239 | M | 85.8 | Confident | 83.4 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -28.4 | -176.8 | -63.3 | -177.7 | 72.2 | 0 | 0 | 113.8 | E235 I236 K241 L248 L250 I262 T264 F331 | E235-M239 HydrophobicContact CG-SD 4.17Å; E235-M239 VanDerWaalsContact O-CG 3.29Å; E235-M239 WeakPolarHBondContact O-CG 3.49Å; E235-M239 PolarHBondContact O-N 2.9Å; I236-M239 PolarHBondContact O-N 2.75Å; M239-K241 VanDerWaalsContact C-N 3.29Å; M239-K241 PolarHBondContact O-N 3.23Å; M239-L248 HydrophobicContact CE-CD2 4.26Å; M239-L248 HydrophobicContact CE-CG 4.41Å; M239-L250 HydrophobicContact CB-CB 3.89Å; M239-L250 HydrophobicContact CB-CD2 4.17Å; M239-L250 HydrophobicContact CE-CB 4.06Å; M239-L250 HydrophobicContact CE-CD1 4.37Å; M239-I262 HydrophobicContact SD-CG2 4.45Å; M239-T264 HydrophobicContact CE-CG2 3.51Å; M239-F331 HydrophobicContact CG-CB 4.4Å; M239-F331 HydrophobicContact CG-CD2 3.66Å; M239-F331 HydrophobicContact CG-CE2 4.4Å; M239-F331 HydrophobicContact CG-CG 4.28Å; M239-F331 HydrophobicContact SD-CD2 4.22Å |
| 240 | K | 86.1 | Confident | 84.4 | Confident | 57 Ų | 57 | 45 Ų | 45 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -31.9 | 172.6 | -77.6 | -176.8 | 176.2 | -173.2 | 0 | 113.1 | W184 I236 A238 L250 | W184-K240 HydrophobicContact CD2-CD 4.32Å; W184-K240 HydrophobicContact CD2-CG 3.86Å; W184-K240 HydrophobicContact CE3-CG 4.36Å; W184-K240 HydrophobicContact CG-CD 4.08Å; W184-K240 HydrophobicContact CG-CG 4.15Å; W184-K240 HydrophobicContact CH2-CG 4.43Å; W184-K240 HydrophobicContact CZ2-CB 4Å; W184-K240 HydrophobicContact CZ2-CG 3.99Å; W184-K240 WeakPolarHBondContact CZ2-O 3.25Å; I236-K240 HydrophobicContact CG2-CD 4.03Å; I236-K240 HydrophobicContact CG2-CG 4.28Å; I236-K240 WeakPolarHBondContact O-CB 3.44Å; I236-K240 VanDerWaalsContact O-CG 3.28Å; I236-K240 WeakPolarHBondContact O-CG 3.45Å; I236-K240 PolarHBondContact O-N 2.83Å; A238-K240 VanDerWaalsContact C-N 3.28Å; A238-K240 PolarHBondContact O-N 3.21Å; K240-L250 HydrophobicContact CG-CD2 3.7Å |
| 241 | K | 85.5 | Confident | 85.2 | Confident | 124 Ų | 124 | 39.2 Ų | 39.2 | 54% | 0.539 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -94.9 | -32.5 | -175.5 | -68.6 | 178.9 | 179.5 | -178.9 | 0 | 113 | Q237 A238 M239 R243 | Q237-K241 WeakPolarHBondContact O-CG 3.37Å; A238-K241 PolarHBondContact O-N 2.97Å; M239-K241 VanDerWaalsContact C-N 3.29Å; M239-K241 PolarHBondContact O-N 3.23Å; K241-R243 PolarHBondContact O-N 2.98Å |
| 242 | L | 87.1 | Confident | 86.1 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | trans | -84.7 | 111.2 | -174.4 | -63.9 | 172.1 | 0 | 0 | 0 | 109.7 | A238 I247 Y302 L303 Q306 Y308 F331 | A238-L242 HydrophobicContact CB-CD1 4.13Å; A238-L242 WeakPolarHBondContact O-CB 3.41Å; A238-L242 VanDerWaalsContact O-CG 3.24Å; A238-L242 WeakPolarHBondContact O-CG 3.44Å; A238-L242 PolarHBondContact O-N 3.09Å; L242-I247 HydrophobicContact CB-CG2 4.13Å; L242-Y302 HydrophobicContact CB-CE1 4.21Å; L242-Y302 HydrophobicContact CD2-CE1 3.88Å; L242-L303 HydrophobicContact CD1-CD2 3.56Å; L242-L303 HydrophobicContact CD2-CD2 3.72Å; L242-L303 HydrophobicContact CG-CD2 4.16Å; L242-Q306 HydrophobicContact CD2-CB 3.94Å; L242-Q306 HydrophobicContact CD2-CG 4.04Å; L242-Y308 HydrophobicContact CD1-CD1 4.25Å; L242-Y308 HydrophobicContact CD1-CE1 4.41Å; L242-Y308 HydrophobicContact CD1-CG 4.31Å; L242-Y308 HydrophobicContact CD2-CD2 3.76Å; L242-Y308 HydrophobicContact CD2-CE2 3.98Å; L242-Y308 HydrophobicContact CD2-CG 4.24Å; L242-Y308 HydrophobicContact CG-CD2 4.48Å; L242-Y308 HydrophobicContact CG-CE2 4.41Å; L242-F331 HydrophobicContact CD1-CD1 4.16Å; L242-F331 HydrophobicContact CD1-CE1 4.03Å | ||
| 243 | R | 85.5 | Confident | 86.9 | Confident | 103 Ų | 103 | 37 Ų | 37 | 39% | 0.389 | 17% | 0.17 | S | C | . | . | trans | -128.9 | 106.6 | -179 | -65.6 | -173.5 | 176.8 | -169 | -9.4 | 109.5 | E42 K241 Y302 | E42-R243 VanDerWaalsContact OE1-CD 3.24Å; E42-R243 WeakPolarHBondContact OE1-CD 3.34Å; E42-R243 IonicContact OE1-CZ 2.73Å; E42-R243 IonicContact OE1-NE 2.74Å; E42-R243 IonicContact OE1-NH1 3.77Å; E42-R243 PolarHBondContact OE1-NH1 2.88Å; E42-R243 IonicContact OE2-CZ 2.7Å; E42-R243 IonicContact OE2-NH1 3.17Å; E42-R243 PolarHBondContact OE2-NH1 2.87Å; K241-R243 PolarHBondContact O-N 2.98Å; R243-Y302 PolarHBondContact N-OH 3.21Å; R243-Y302 VanDerWaalsContact O-CZ 3.27Å; R243-Y302 PolarHBondContact O-OH 3.24Å | ||
| 244 | H | 86.8 | Confident | 87.5 | Confident | 44 Ų | 44 | 32.5 Ų | 32.5 | 20% | 0.204 | 15% | 0.149 | C | C | . | . | trans | -161.4 | 147.8 | 179.6 | 179.1 | -97.7 | 0 | 0 | 0 | 111.4 | H246 I247 Y302 | H244-H246 AromaticContact CE1-CD2 3.77Å; H244-H246 PolarHBondContact ND1-N 3.47Å; H244-H246 PolarHBondContact O-N 2.75Å; H244-H246 VanDerWaalsContact O-N 3.1Å; H244-I247 HydrophobicContact CB-CB 4.1Å; H244-I247 HydrophobicContact CB-CG1 3.81Å; H244-I247 PolarHBondContact O-N 3.19Å; H244-I247 VanDerWaalsContact O-O 3.09Å; H244-Y302 HydrophobicContact CB-CD1 3.45Å; H244-Y302 VanDerWaalsContact CB-CD1 3.45Å; H244-Y302 HydrophobicContact CB-CD2 3.99Å; H244-Y302 HydrophobicContact CB-CE1 3.67Å; H244-Y302 HydrophobicContact CB-CE2 4.2Å; H244-Y302 HydrophobicContact CB-CG 3.6Å; H244-Y302 AromaticContact CD2-CG 3.91Å; H244-Y302 AromaticContact CG-CD1 3.97Å; H244-Y302 AromaticContact CG-CG 3.69Å | ||
| 245 | K | 87.1 | Confident | 88 | Confident | 73 Ų | 73 | 30.9 Ų | 30.9 | 32% | 0.317 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -28.7 | -176 | -179.3 | 177.2 | 170.4 | -172.5 | 0 | 114.1 | C82 E108 L325 K327 | C82-K245 PolarHBondContact O-NZ 2.74Å; E108-K245 IonicContact OE1-NZ 2.98Å; E108-K245 PolarHBondContact OE1-NZ 3.36Å; E108-K245 IonicContact OE2-NZ 3.65Å; E108-K245 PolarHBondContact OE2-NZ 3.36Å; K245-L325 HydrophobicContact CG-CD1 4.32Å; K245-K327 WeakPolarHBondContact O-CE 3.38Å |
| 246 | H | 93.9 | Very high | 88.2 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 19.5 | 178.4 | -61.2 | -59.8 | 0 | 0 | 0 | 113.7 | H244 Q295 C326 K327 V328 | H244-H246 AromaticContact CE1-CD2 3.77Å; H244-H246 PolarHBondContact ND1-N 3.47Å; H244-H246 PolarHBondContact O-N 2.75Å; H244-H246 VanDerWaalsContact O-N 3.1Å; H246-Q295 WeakPolarHBondContact CB-O 3.38Å; H246-Q295 VanDerWaalsContact CE1-CG 3.45Å; H246-Q295 WeakPolarHBondContact CE1-CG 3.42Å; H246-Q295 PolarHBondContact CE1-OE1 2.74Å; H246-Q295 VanDerWaalsContact CE1-OE1 3.27Å; H246-C326 PolarHBondContact ND1-O 2.88Å; H246-K327 WeakPolarHBondContact O-CA 3.44Å; H246-V328 PolarHBondContact O-N 3.05Å |
| 247 | I | 93.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -119.5 | 134.2 | 172.9 | -64.1 | -57.2 | 0 | 0 | 0 | 108.3 | L242 H244 S249 Y302 L303 V328 F331 | L242-I247 HydrophobicContact CB-CG2 4.13Å; H244-I247 HydrophobicContact CB-CB 4.1Å; H244-I247 HydrophobicContact CB-CG1 3.81Å; H244-I247 PolarHBondContact O-N 3.19Å; H244-I247 VanDerWaalsContact O-O 3.09Å; I247-S249 PolarHBondContact O-N 2.88Å; I247-Y302 HydrophobicContact CG1-CD1 3.84Å; I247-Y302 HydrophobicContact CG1-CE1 4.34Å; I247-L303 HydrophobicContact CD1-CD1 4.05Å; I247-L303 HydrophobicContact CD1-CD2 3.89Å; I247-L303 HydrophobicContact CD1-CG 3.79Å; I247-L303 HydrophobicContact CG1-CD2 4.38Å; I247-V328 HydrophobicContact CD1-CB 3.89Å; I247-V328 HydrophobicContact CD1-CG2 4.27Å; I247-F331 HydrophobicContact CD1-CZ 4.31Å; I247-F331 HydrophobicContact CG2-CE2 4.05Å; I247-F331 HydrophobicContact CG2-CZ 3.62Å |
| 248 | L | 92.6 | Very high | 88.3 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 123.4 | -179.5 | -173.9 | 69.7 | 0 | 0 | 0 | 110.3 | M239 T264 E265 M267 L319 V328 F331 | M239-L248 HydrophobicContact CE-CD2 4.26Å; M239-L248 HydrophobicContact CE-CG 4.41Å; L248-T264 HydrophobicContact CD2-CG2 4.01Å; L248-T264 HydrophobicContact CG-CG2 4.35Å; L248-E265 HydrophobicContact CD1-CG 3.55Å; L248-M267 HydrophobicContact CD1-CG 3.84Å; L248-M267 HydrophobicContact CD1-SD 4.45Å; L248-L319 HydrophobicContact CD1-CD1 3.82Å; L248-L319 HydrophobicContact CD2-CD1 3.75Å; L248-L319 HydrophobicContact CG-CD1 4.35Å; L248-V328 PolarHBondContact N-O 3.4Å; L248-F331 HydrophobicContact CB-CE2 4.41Å |
| 249 | S | 89.3 | Confident | 88.5 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 25% | 0.245 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -85.5 | 129.3 | -176 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | I247 T264 E265 | I247-S249 PolarHBondContact O-N 2.88Å; S249-T264 VanDerWaalsContact O-CA 3.27Å; S249-T264 WeakPolarHBondContact O-CA 3.05Å; S249-T264 VanDerWaalsContact O-CB 3.28Å; S249-T264 WeakPolarHBondContact O-CB 3.38Å; S249-E265 VanDerWaalsContact CB-OE1 3.3Å; S249-E265 WeakPolarHBondContact CB-OE1 3.28Å; S249-E265 PolarHBondContact N-OE1 3.49Å; S249-E265 PolarHBondContact O-N 3.13Å; S249-E265 PolarHBondContact OG-OE1 2.92Å |
| 250 | L | 89.5 | Confident | 88.7 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 137.6 | 163.7 | -174.8 | 69.6 | 0 | 0 | 0 | 108.6 | W184 M239 K240 A252 V253 I262 I263 | W184-L250 HydrophobicContact CD2-CD2 4.32Å; W184-L250 HydrophobicContact CE3-CB 4.42Å; W184-L250 HydrophobicContact CE3-CD2 3.58Å; W184-L250 HydrophobicContact CE3-CG 3.83Å; W184-L250 HydrophobicContact CH2-CB 4.23Å; W184-L250 HydrophobicContact CH2-CD2 4.23Å; W184-L250 HydrophobicContact CH2-CG 4.47Å; W184-L250 HydrophobicContact CZ3-CB 3.63Å; W184-L250 HydrophobicContact CZ3-CD2 3.54Å; W184-L250 HydrophobicContact CZ3-CG 3.55Å; W184-L250 WeakPolarHBondContact CZ3-O 3.27Å; M239-L250 HydrophobicContact CB-CB 3.89Å; M239-L250 HydrophobicContact CB-CD2 4.17Å; M239-L250 HydrophobicContact CE-CB 4.06Å; M239-L250 HydrophobicContact CE-CD1 4.37Å; K240-L250 HydrophobicContact CG-CD2 3.7Å; L250-A252 WeakPolarHBondContact CD1-O 3.35Å; L250-V253 HydrophobicContact CD1-CG2 4.11Å; L250-V253 HydrophobicContact CD2-CG2 4.01Å; L250-V253 HydrophobicContact CG-CG2 4.49Å; L250-I262 HydrophobicContact CD1-CG2 3.37Å; L250-I263 WeakPolarHBondContact CD1-O 3.08Å |
| 251 | Y | 87.9 | Confident | 89 | Confident | 38 Ų | 38 | 37.5 Ų | 37.5 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -42.6 | 170.8 | -69.2 | -13.8 | 0 | 0 | 0 | 111.3 | V178 V216 I263 E265 | V178-Y251 HydrophobicContact CG1-CE2 4.31Å; V216-Y251 HydrophobicContact CG1-CD2 3.87Å; V216-Y251 HydrophobicContact CG1-CE2 4.29Å; Y251-I263 PolarHBondContact N-O 3.48Å; Y251-E265 HydrophobicContact CE1-CB 4.15Å; Y251-E265 HydrophobicContact CE2-CB 3.91Å; Y251-E265 VanDerWaalsContact OH-CB 3.31Å; Y251-E265 WeakPolarHBondContact OH-CB 3.28Å |
| 252 | A | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 166.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W184 R186 F191 L250 I263 | W184-A252 CarbonylContact O-C 3.56Å; W184-A252 WeakPolarHBondContact O-CA 3.45Å; R186-A252 HydrophobicContact CB-CB 4.2Å; R186-A252 HydrophobicContact CG-CB 3.51Å; F191-A252 HydrophobicContact CE1-CB 4.44Å; F191-A252 HydrophobicContact CZ-CB 3.74Å; L250-A252 WeakPolarHBondContact CD1-O 3.35Å; A252-I263 HydrophobicContact CB-CB 4.03Å; A252-I263 HydrophobicContact CB-CD1 4.12Å; A252-I263 HydrophobicContact CB-CG1 4.42Å; A252-I263 PolarHBondContact N-O 2.79Å; A252-I263 WeakPolarHBondContact O-CB 3.35Å; A252-I263 PolarHBondContact O-N 3.38Å |
| 253 | V | 92 | Very high | 89.6 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 139.3 | 172.5 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | W184 E185 R186 I236 L250 Y261 | W184-V253 PolarHBondContact O-N 2.68Å; E185-V253 WeakPolarHBondContact CA-O 3.48Å; R186-V253 PolarHBondContact N-O 3.4Å; I236-V253 HydrophobicContact CD1-CG1 3.91Å; I236-V253 HydrophobicContact CD1-CG2 4.46Å; I236-V253 HydrophobicContact CG1-CG2 4.31Å; I236-V253 HydrophobicContact CG2-CG2 3.96Å; L250-V253 HydrophobicContact CD1-CG2 4.11Å; L250-V253 HydrophobicContact CD2-CG2 4.01Å; L250-V253 HydrophobicContact CG-CG2 4.49Å; V253-Y261 WeakPolarHBondContact CA-O 3.4Å |
| 254 | V | 92.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 89.3 | 165.4 | -174.9 | 0 | 0 | 0 | 0 | 106.6 | R188 F191 V260 Y261 I263 | R188-V254 HydrophobicContact CB-CG1 3.88Å; R188-V254 HydrophobicContact CG-CG1 4.42Å; F191-V254 HydrophobicContact CD2-CG2 3.75Å; F191-V254 HydrophobicContact CE2-CG2 3.65Å; V254-V260 WeakPolarHBondContact O-CA 3.33Å; V254-V260 WeakPolarHBondContact O-CG1 3.33Å; V254-Y261 HydrophobicContact CB-CD2 4.22Å; V254-Y261 HydrophobicContact CB-CG 4.26Å; V254-Y261 HydrophobicContact CG2-CD2 4.02Å; V254-Y261 HydrophobicContact CG2-CG 4.43Å; V254-Y261 PolarHBondContact N-O 3.12Å; V254-Y261 PolarHBondContact O-N 2.6Å; V254-I263 HydrophobicContact CG2-CD1 3.94Å |
| 255 | S | 88.3 | Confident | 90.1 | Very high | 40 Ų | 40 | 26.1 Ų | 26.1 | 28% | 0.28 | 15% | 0.153 | S | C | . | . | trans | -97.8 | -7.7 | -177 | 73.6 | 0 | 0 | 0 | 0 | 113.2 | E185 R223 | E185-S255 WeakPolarHBondContact OE1-CA 3.49Å; E185-S255 PolarHBondContact OE1-N 2.92Å; E185-S255 PolarHBondContact OE1-OG 3.43Å; E185-S255 VanDerWaalsContact OE1-OG 3.1Å; E185-S255 WeakPolarHBondContact OE2-CB 3.23Å; E185-S255 PolarHBondContact OE2-N 2.79Å; E185-S255 PolarHBondContact OE2-OG 2.91Å; R223-S255 PolarHBondContact NH2-O 2.82Å | ||
| 256 | V | 85.9 | Confident | 90.3 | Very high | 109 Ų | 109 | 23.9 Ų | 23.9 | 66% | 0.661 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -90.5 | 133.3 | 171.7 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | E185 R188 | E185-V256 PolarHBondContact OE1-N 3.22Å; R188-V256 PolarHBondContact NH2-O 2.85Å; R188-V256 VanDerWaalsContact NH2-O 3.14Å |
| 257 | G | 84.5 | Confident | 90.3 | Very high | 37 Ų | 37 | 24.4 Ų | 24.4 | 38% | 0.381 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 76.7 | 175.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R223 | R223-G257 PolarHBondContact NE-O 2.8Å; R223-G257 PolarHBondContact NH2-O 2.74Å |
| 258 | D | 85.3 | Confident | 90.2 | Very high | 84 Ų | 84 | 27.6 Ų | 27.6 | 45% | 0.449 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -118 | 135.4 | 178.1 | -173.5 | 49.9 | 0 | 0 | 0 | 108.6 | R223 | R223-D258 HydrophobicContact CB-CB 4.44Å; R223-D258 VanDerWaalsContact CB-OD1 3.28Å; R223-D258 WeakPolarHBondContact CB-OD1 3.28Å; R223-D258 HydrophobicContact CG-CB 4.15Å; R223-D258 VanDerWaalsContact CG-OD1 3.31Å; R223-D258 WeakPolarHBondContact CG-OD1 3.3Å; R223-D258 PolarHBondContact N-OD1 2.87Å |
| 259 | P | 89.5 | Confident | 90.1 | Very high | 38 Ų | 38 | 30.8 Ų | 30.8 | 25% | 0.247 | 18% | 0.179 | C | C | . | . | S | Bend | cis | -79.9 | 156.8 | -0.3 | 33.2 | -37.7 | 0 | 0 | 0 | 115.2 | R188 V220 I221 Y261 | R188-P259 PolarHBondContact NH1-O 2.98Å; R188-P259 PolarHBondContact NH2-O 2.65Å; V220-P259 HydrophobicContact CG1-CB 3.67Å; V220-P259 HydrophobicContact CG1-CG 3.64Å; I221-P259 CarbonylContact O-C 3.52Å; I221-P259 WeakPolarHBondContact O-CB 3.33Å; P259-Y261 HydrophobicContact CB-CE1 4.44Å; P259-Y261 HydrophobicContact CG-CD1 4.44Å; P259-Y261 HydrophobicContact CG-CE1 3.66Å |
| 260 | V | 89.4 | Confident | 90.3 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 137.7 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | I221 R223 L232 V254 | I221-V260 HydrophobicContact CB-CB 4.5Å; I221-V260 PolarHBondContact N-O 3.43Å; I221-V260 PolarHBondContact O-N 3.4Å; R223-V260 HydrophobicContact CG-CG2 4.15Å; L232-V260 HydrophobicContact CD2-CB 4.25Å; L232-V260 HydrophobicContact CD2-CG1 3.95Å; L232-V260 HydrophobicContact CD2-CG2 4.4Å; V254-V260 WeakPolarHBondContact O-CA 3.33Å; V254-V260 WeakPolarHBondContact O-CG1 3.33Å |
| 261 | Y | 92.7 | Very high | 90.5 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 9% | 0.086 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.7 | 172.3 | -59 | -18.3 | 0 | 0 | 0 | 112 | R188 I218 K219 V220 V253 V254 P259 | R188-Y261 HydrophobicContact CG-CE2 3.89Å; R188-Y261 VanDerWaalsContact NH1-CE1 3.35Å; R188-Y261 PolarHBondContact NH1-OH 2.81Å; I218-Y261 HydrophobicContact CG2-CD1 4.07Å; I218-Y261 HydrophobicContact CG2-CD2 3.94Å; I218-Y261 HydrophobicContact CG2-CE2 4.47Å; I218-Y261 HydrophobicContact CG2-CG 3.73Å; K219-Y261 WeakPolarHBondContact O-CA 3.46Å; V220-Y261 HydrophobicContact CB-CD1 4.31Å; V220-Y261 HydrophobicContact CB-CE1 4.21Å; V220-Y261 HydrophobicContact CG1-CD1 4.25Å; V220-Y261 HydrophobicContact CG1-CE1 3.83Å; V220-Y261 HydrophobicContact CG2-CD1 3.85Å; V220-Y261 HydrophobicContact CG2-CE1 3.64Å; V253-Y261 WeakPolarHBondContact CA-O 3.4Å; V254-Y261 HydrophobicContact CB-CD2 4.22Å; V254-Y261 HydrophobicContact CB-CG 4.26Å; V254-Y261 HydrophobicContact CG2-CD2 4.02Å; V254-Y261 HydrophobicContact CG2-CG 4.43Å; V254-Y261 PolarHBondContact N-O 3.12Å; V254-Y261 PolarHBondContact O-N 2.6Å; P259-Y261 HydrophobicContact CB-CE1 4.44Å; P259-Y261 HydrophobicContact CG-CD1 4.44Å; P259-Y261 HydrophobicContact CG-CE1 3.66Å |
| 262 | I | 91.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.3 | 161.2 | -48 | -179 | 0 | 0 | 0 | 107.2 | K219 I221 L232 I236 M239 L250 T264 | K219-I262 HydrophobicContact CB-CB 4.23Å; K219-I262 HydrophobicContact CD-CD1 4.24Å; K219-I262 PolarHBondContact N-O 2.82Å; K219-I262 PolarHBondContact O-N 3Å; I221-I262 HydrophobicContact CD1-CD1 3.98Å; I221-I262 HydrophobicContact CD1-CG1 4.28Å; L232-I262 HydrophobicContact CD1-CD1 3.42Å; L232-I262 VanDerWaalsContact CD1-CD1 3.42Å; L232-I262 HydrophobicContact CD1-CG1 3.94Å; I236-I262 HydrophobicContact CG1-CD1 4.21Å; I236-I262 HydrophobicContact CG1-CG1 4.38Å; M239-I262 HydrophobicContact SD-CG2 4.45Å; L250-I262 HydrophobicContact CD1-CG2 3.37Å; I262-T264 HydrophobicContact CG2-CG2 4.28Å |
| 263 | I | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.3 | -176.7 | -61.4 | 88.2 | 0 | 0 | 0 | 108.6 | F191 V216 A217 I218 L250 Y251 A252 V254 | F191-I263 HydrophobicContact CD1-CD1 4.5Å; F191-I263 HydrophobicContact CD1-CG1 3.89Å; F191-I263 HydrophobicContact CD1-CG2 4.4Å; F191-I263 HydrophobicContact CD2-CD1 4.42Å; F191-I263 HydrophobicContact CE1-CB 4.24Å; F191-I263 HydrophobicContact CE1-CD1 4.18Å; F191-I263 HydrophobicContact CE1-CG1 3.66Å; F191-I263 HydrophobicContact CE1-CG2 3.88Å; F191-I263 HydrophobicContact CE2-CD1 4.08Å; F191-I263 HydrophobicContact CE2-CG1 4.44Å; F191-I263 HydrophobicContact CG-CG1 4.38Å; F191-I263 HydrophobicContact CZ-CD1 3.95Å; F191-I263 HydrophobicContact CZ-CG1 3.96Å; V216-I263 HydrophobicContact CB-CG2 3.72Å; V216-I263 HydrophobicContact CG1-CG2 3.86Å; V216-I263 HydrophobicContact CG2-CG2 3.94Å; A217-I263 WeakPolarHBondContact O-CA 3.48Å; I218-I263 HydrophobicContact CG1-CG1 4.3Å; L250-I263 WeakPolarHBondContact CD1-O 3.08Å; Y251-I263 PolarHBondContact N-O 3.48Å; A252-I263 HydrophobicContact CB-CB 4.03Å; A252-I263 HydrophobicContact CB-CD1 4.12Å; A252-I263 HydrophobicContact CB-CG1 4.42Å; A252-I263 PolarHBondContact N-O 2.79Å; A252-I263 WeakPolarHBondContact O-CB 3.35Å; A252-I263 PolarHBondContact O-N 3.38Å; V254-I263 HydrophobicContact CG2-CD1 3.94Å |
| 264 | T | 92.8 | Very high | 91.3 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 170.7 | 178.3 | 68.7 | 0 | 0 | 0 | 0 | 110.6 | A217 M239 L248 S249 I262 | A217-T264 PolarHBondContact N-O 3.38Å; A217-T264 PolarHBondContact O-N 3.41Å; M239-T264 HydrophobicContact CE-CG2 3.51Å; L248-T264 HydrophobicContact CD2-CG2 4.01Å; L248-T264 HydrophobicContact CG-CG2 4.35Å; S249-T264 VanDerWaalsContact O-CA 3.27Å; S249-T264 WeakPolarHBondContact O-CA 3.05Å; S249-T264 VanDerWaalsContact O-CB 3.28Å; S249-T264 WeakPolarHBondContact O-CB 3.38Å; I262-T264 HydrophobicContact CG2-CG2 4.28Å |
| 265 | E | 89.6 | Confident | 91.3 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 146.5 | 164.2 | 67.2 | -172.4 | 120.5 | 0 | 0 | 111.7 | L248 S249 Y251 M267 K327 | L248-E265 HydrophobicContact CD1-CG 3.55Å; S249-E265 VanDerWaalsContact CB-OE1 3.3Å; S249-E265 WeakPolarHBondContact CB-OE1 3.28Å; S249-E265 PolarHBondContact N-OE1 3.49Å; S249-E265 PolarHBondContact O-N 3.13Å; S249-E265 PolarHBondContact OG-OE1 2.92Å; Y251-E265 HydrophobicContact CE1-CB 4.15Å; Y251-E265 HydrophobicContact CE2-CB 3.91Å; Y251-E265 VanDerWaalsContact OH-CB 3.31Å; Y251-E265 WeakPolarHBondContact OH-CB 3.28Å; E265-M267 HydrophobicContact CG-CG 4.41Å; E265-M267 HydrophobicContact CG-SD 4.03Å; E265-K327 VanDerWaalsContact CD-CD 3.48Å; E265-K327 WeakPolarHBondContact OE1-CD 3.5Å; E265-K327 WeakPolarHBondContact OE1-CE 3.37Å; E265-K327 IonicContact OE1-NZ 3.04Å; E265-K327 PolarHBondContact OE1-NZ 3.43Å; E265-K327 WeakPolarHBondContact OE2-CD 3.34Å; E265-K327 WeakPolarHBondContact OE2-CE 3.5Å; E265-K327 IonicContact OE2-NZ 3.6Å; E265-K327 PolarHBondContact OE2-NZ 2.88Å |
| 266 | L | 92.4 | Very high | 91.6 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | trans | -84.9 | 118.6 | 175.7 | -179.3 | 64.8 | 0 | 0 | 0 | 110.5 | L197 E207 Q215 A217 V268 | L197-L266 HydrophobicContact CD1-CD1 3.72Å; E207-L266 HydrophobicContact CG-CD1 4.37Å; E207-L266 HydrophobicContact CG-CD2 3.93Å; Q215-L266 HydrophobicContact CB-CD2 3.88Å; A217-L266 HydrophobicContact CB-CD1 4.18Å; L266-V268 HydrophobicContact CD2-CG1 4.04Å; L266-V268 HydrophobicContact CG-CG1 4.07Å; L266-V268 PolarHBondContact O-N 3.29Å | ||
| 267 | M | 93.6 | Very high | 92 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | trans | -95.2 | 89.5 | 175.6 | -60.4 | -62 | -74.8 | 0 | 0 | 109.4 | L248 E265 K269 G270 L319 V320 K327 | L248-M267 HydrophobicContact CD1-CG 3.84Å; L248-M267 HydrophobicContact CD1-SD 4.45Å; E265-M267 HydrophobicContact CG-CG 4.41Å; E265-M267 HydrophobicContact CG-SD 4.03Å; M267-K269 PolarHBondContact O-N 3.4Å; M267-G270 PolarHBondContact O-N 3.46Å; M267-L319 HydrophobicContact CB-CB 3.65Å; M267-L319 HydrophobicContact CB-CD1 4.42Å; M267-L319 HydrophobicContact CE-CB 4.14Å; M267-L319 WeakPolarHBondContact CE-O 3.29Å; M267-L319 HydrophobicContact CG-CB 3.56Å; M267-L319 HydrophobicContact CG-CD1 4.06Å; M267-L319 HydrophobicContact CG-CG 4.44Å; M267-V320 CarbonylContact C-O 3.55Å; M267-V320 VanDerWaalsContact C-O 3.31Å; M267-K327 HydrophobicContact CE-CB 3.93Å; M267-K327 HydrophobicContact CE-CD 4.01Å; M267-K327 HydrophobicContact CE-CG 3.69Å; M267-K327 HydrophobicContact SD-CD 4.07Å; M267-K327 HydrophobicContact SD-CG 4.41Å | ||
| 268 | V | 90.6 | Very high | 92.1 | Very high | 68 Ų | 68 | 36.8 Ų | 36.8 | 41% | 0.412 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18 | -163.9 | -61.8 | 0 | 0 | 0 | 0 | 116 | L266 E322 | L266-V268 HydrophobicContact CD2-CG1 4.04Å; L266-V268 HydrophobicContact CG-CG1 4.07Å; L266-V268 PolarHBondContact O-N 3.29Å; V268-E322 HydrophobicContact CG2-CG 3.73Å |
| 269 | K | 91.1 | Very high | 91.3 | Very high | 77 Ų | 77 | 38 Ų | 38 | 34% | 0.335 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 8 | 177.4 | -57.9 | -172.6 | -176.1 | -176.7 | 0 | 113.2 | M267 V320 G321 | M267-K269 PolarHBondContact O-N 3.4Å; K269-V320 WeakPolarHBondContact CA-O 3.45Å; K269-V320 HydrophobicContact CB-CB 4.02Å; K269-V320 HydrophobicContact CB-CG1 4.16Å; K269-V320 WeakPolarHBondContact CB-O 3.26Å; K269-V320 HydrophobicContact CD-CG1 4.17Å; K269-V320 PolarHBondContact N-O 3.47Å; K269-G321 WeakPolarHBondContact CD-O 3.27Å; K269-G321 WeakPolarHBondContact CE-O 3.37Å |
| 270 | G | 92.9 | Very high | 90.6 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 25% | 0.247 | 23% | 0.231 | C | C | . | . | trans | 71.1 | -147.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M267 L319 V320 | M267-G270 PolarHBondContact O-N 3.46Å; G270-L319 WeakPolarHBondContact O-CA 3.42Å; G270-V320 PolarHBondContact O-N 2.99Å | ||
| 271 | S | 95 | Very high | 89.8 | Confident | 13 Ų | 13 | 48 Ų | 48 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -79.8 | 153.9 | 178 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | L273 E274 L275 I318 | S271-L273 PolarHBondContact O-N 3.04Å; S271-E274 PolarHBondContact N-OE2 3.18Å; S271-E274 PolarHBondContact O-N 3.25Å; S271-E274 VanDerWaalsContact OG-CG 3.25Å; S271-E274 WeakPolarHBondContact OG-CG 3.34Å; S271-E274 PolarHBondContact OG-N 2.86Å; S271-E274 PolarHBondContact OG-OE2 2.86Å; S271-L275 PolarHBondContact O-N 3.36Å; S271-I318 CarbonylContact C-O 3.56Å; S271-I318 WeakPolarHBondContact CA-O 3.41Å |
| 272 | L | 96.6 | Very high | 89 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -33.8 | 173.4 | 176 | 61.5 | 0 | 0 | 0 | 111 | L275 L276 I292 A315 I318 V320 L376 I380 | L272-L275 HydrophobicContact CD1-CD2 4.36Å; L272-L275 PolarHBondContact O-N 3.27Å; L272-L276 HydrophobicContact CD1-CD1 4.11Å; L272-L276 HydrophobicContact CD1-CD2 4.39Å; L272-L276 HydrophobicContact CD1-CG 3.93Å; L272-L276 HydrophobicContact CG-CD1 3.85Å; L272-L276 HydrophobicContact CG-CG 4.18Å; L272-L276 WeakPolarHBondContact O-CB 3.34Å; L272-L276 WeakPolarHBondContact O-CG 3.28Å; L272-L276 PolarHBondContact O-N 2.86Å; L272-I292 HydrophobicContact CD1-CD1 4Å; L272-I292 HydrophobicContact CD1-CG2 3.84Å; L272-I292 HydrophobicContact CD2-CG2 3.59Å; L272-I292 HydrophobicContact CG-CG2 4.38Å; L272-A315 WeakPolarHBondContact CB-O 3.46Å; L272-A315 PolarHBondContact N-O 3.44Å; L272-I318 HydrophobicContact CB-CB 3.8Å; L272-I318 HydrophobicContact CB-CG2 4.04Å; L272-I318 HydrophobicContact CD2-CB 3.99Å; L272-I318 HydrophobicContact CD2-CG1 4.26Å; L272-I318 HydrophobicContact CD2-CG2 3.98Å; L272-I318 PolarHBondContact N-O 2.96Å; L272-V320 HydrophobicContact CB-CG2 3.89Å; L272-V320 HydrophobicContact CD1-CG2 4.2Å; L272-L376 HydrophobicContact CD2-CD1 4.36Å; L272-I380 HydrophobicContact CD2-CD1 4.25Å; L272-I380 HydrophobicContact CD2-CG1 3.98Å |
| 273 | L | 95.9 | Very high | 88.7 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.8 | -176.7 | 62.7 | 0 | 0 | 0 | 112.1 | S271 L276 R277 A315 R316 | S271-L273 PolarHBondContact O-N 3.04Å; L273-L276 PolarHBondContact O-N 3.28Å; L273-R277 WeakPolarHBondContact O-CG 3.39Å; L273-R277 PolarHBondContact O-N 3Å; L273-A315 HydrophobicContact CB-CB 4.03Å; L273-A315 HydrophobicContact CD1-CB 4.36Å; L273-A315 PolarHBondContact N-O 3.04Å; L273-R316 HydrophobicContact CB-CB 4.4Å; L273-R316 HydrophobicContact CD2-CB 4.05Å |
| 274 | E | 93.9 | Very high | 88.4 | Confident | 118 Ų | 118 | 61.8 Ų | 61.8 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.7 | -46.3 | 175.3 | -71.9 | 159.2 | 158.5 | 0 | 0 | 110.6 | S271 L276 R277 D278 | S271-E274 PolarHBondContact N-OE2 3.18Å; S271-E274 PolarHBondContact O-N 3.25Å; S271-E274 VanDerWaalsContact OG-CG 3.25Å; S271-E274 WeakPolarHBondContact OG-CG 3.34Å; S271-E274 PolarHBondContact OG-N 2.86Å; S271-E274 PolarHBondContact OG-OE2 2.86Å; E274-L276 VanDerWaalsContact C-N 3.32Å; E274-L276 PolarHBondContact O-N 2.75Å; E274-R277 PolarHBondContact O-N 2.95Å; E274-D278 WeakPolarHBondContact O-CB 3.29Å; E274-D278 PolarHBondContact O-N 3.08Å |
| 275 | L | 93.6 | Very high | 88.3 | Confident | 16 Ų | 16 | 63.6 Ų | 63.6 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 177.9 | -177.1 | 69.1 | 0 | 0 | 0 | 112.8 | S271 L272 R277 K281 L284 V320 | S271-L275 PolarHBondContact O-N 3.36Å; L272-L275 HydrophobicContact CD1-CD2 4.36Å; L272-L275 PolarHBondContact O-N 3.27Å; L275-R277 VanDerWaalsContact C-N 3.3Å; L275-R277 PolarHBondContact O-N 2.92Å; L275-K281 HydrophobicContact CD1-CD 4.22Å; L275-L284 HydrophobicContact CD2-CD1 4.1Å; L275-L284 HydrophobicContact CG-CD1 4.3Å; L275-V320 HydrophobicContact CD2-CB 4.37Å; L275-V320 HydrophobicContact CD2-CG1 3.96Å; L275-V320 HydrophobicContact CD2-CG2 4.09Å |
| 276 | L | 94.1 | Very high | 88.3 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 9% | 0.089 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.8 | -28 | -179.4 | -72.2 | 169.8 | 0 | 0 | 0 | 112.9 | L272 L273 E274 L284 L289 I380 | L272-L276 HydrophobicContact CD1-CD1 4.11Å; L272-L276 HydrophobicContact CD1-CD2 4.39Å; L272-L276 HydrophobicContact CD1-CG 3.93Å; L272-L276 HydrophobicContact CG-CD1 3.85Å; L272-L276 HydrophobicContact CG-CG 4.18Å; L272-L276 WeakPolarHBondContact O-CB 3.34Å; L272-L276 WeakPolarHBondContact O-CG 3.28Å; L272-L276 PolarHBondContact O-N 2.86Å; L273-L276 PolarHBondContact O-N 3.28Å; E274-L276 VanDerWaalsContact C-N 3.32Å; E274-L276 PolarHBondContact O-N 2.75Å; L276-L284 HydrophobicContact CD2-CD1 4.46Å; L276-L289 HydrophobicContact CD2-CD2 3.79Å; L276-I380 HydrophobicContact CD1-CG1 4.47Å |
| 277 | R | 93.3 | Very high | 88 | Confident | 129 Ų | 129 | 66.3 Ų | 66.3 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -95 | -8.9 | -178.8 | -71.3 | -178.8 | 174.6 | 175.7 | 2.4 | 113.9 | L273 E274 L275 S279 G384 | L273-R277 WeakPolarHBondContact O-CG 3.39Å; L273-R277 PolarHBondContact O-N 3Å; E274-R277 PolarHBondContact O-N 2.95Å; L275-R277 VanDerWaalsContact C-N 3.3Å; L275-R277 PolarHBondContact O-N 2.92Å; R277-S279 PolarHBondContact O-N 3.36Å; R277-G384 VanDerWaalsContact CZ-O 3.22Å; R277-G384 PolarHBondContact NE-O 2.93Å; R277-G384 PolarHBondContact NH2-O 3.19Å |
| 278 | D | 86.7 | Confident | 87.8 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | trans | -67.2 | 101.4 | -179.3 | -169.1 | -21 | 0 | 0 | 0 | 110.4 | E274 D280 K281 | E274-D278 WeakPolarHBondContact O-CB 3.29Å; E274-D278 PolarHBondContact O-N 3.08Å; D278-D280 VanDerWaalsContact C-N 3.29Å; D278-D280 PolarHBondContact OD1-N 2.85Å; D278-D280 VanDerWaalsContact OD1-N 3.12Å; D278-K281 HydrophobicContact CB-CB 4.47Å; D278-K281 HydrophobicContact CB-CD 4.43Å; D278-K281 PolarHBondContact OD1-N 3.27Å; D278-K281 WeakPolarHBondContact OD2-CD 3.11Å; D278-K281 WeakPolarHBondContact OD2-CE 3.36Å; D278-K281 WeakPolarHBondContact OD2-CG 3.47Å; D278-K281 IonicContact OD2-NZ 2.68Å; D278-K281 PolarHBondContact OD2-NZ 3.3Å | ||
| 279 | S | 70.1 | Confident | 87.9 | Confident | 108 Ų | 108 | 64.7 Ų | 64.7 | 76% | 0.755 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -19.8 | -179 | 53 | 0 | 0 | 0 | 0 | 113.6 | R277 K281 | R277-S279 PolarHBondContact O-N 3.36Å; S279-K281 VanDerWaalsContact C-N 3.33Å |
| 280 | D | 74.4 | Confident | 88 | Confident | 154 Ų | 154 | 61.5 Ų | 61.5 | 82% | 0.824 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -15.3 | -176 | -62.7 | -23 | 0 | 0 | 0 | 111.4 | D278 | D278-D280 VanDerWaalsContact C-N 3.29Å; D278-D280 PolarHBondContact OD1-N 2.85Å; D278-D280 VanDerWaalsContact OD1-N 3.12Å |
| 281 | K | 71.2 | Confident | 87.9 | Confident | 106 Ų | 106 | 60.6 Ų | 60.6 | 46% | 0.461 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -91.3 | 154.1 | 175.5 | -72.4 | -175.5 | -176.5 | 126.7 | 0 | 112.5 | L275 D278 S279 V283 | L275-K281 HydrophobicContact CD1-CD 4.22Å; D278-K281 HydrophobicContact CB-CB 4.47Å; D278-K281 HydrophobicContact CB-CD 4.43Å; D278-K281 PolarHBondContact OD1-N 3.27Å; D278-K281 WeakPolarHBondContact OD2-CD 3.11Å; D278-K281 WeakPolarHBondContact OD2-CE 3.36Å; D278-K281 WeakPolarHBondContact OD2-CG 3.47Å; D278-K281 IonicContact OD2-NZ 2.68Å; D278-K281 PolarHBondContact OD2-NZ 3.3Å; S279-K281 VanDerWaalsContact C-N 3.33Å; K281-V283 PolarHBondContact O-N 3.1Å |
| 282 | K | 76.8 | Confident | 87.9 | Confident | 195 Ų | 195 | 60 Ų | 60 | 85% | 0.848 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 128.1 | 171.8 | -173.3 | 177.5 | 179 | -178.6 | 0 | 109.4 | L284 | K282-L284 PolarHBondContact O-N 3.12Š|
| 283 | V | 84.3 | Confident | 88 | Confident | 92 Ų | 92 | 60 Ų | 60 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -49.2 | 120.4 | 172.6 | 158.6 | 0 | 0 | 0 | 0 | 110.5 | K281 R383 | K281-V283 PolarHBondContact O-N 3.1Å; V283-R383 VanDerWaalsContact CG1-CZ 3.44Å; V283-R383 VanDerWaalsContact CG1-NH1 3.33Å |
| 284 | L | 88.4 | Confident | 87.9 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 129.8 | 175.5 | -61.3 | 176.9 | 0 | 0 | 0 | 109.8 | L275 L276 K282 E288 L289 I292 | L275-L284 HydrophobicContact CD2-CD1 4.1Å; L275-L284 HydrophobicContact CG-CD1 4.3Å; L276-L284 HydrophobicContact CD2-CD1 4.46Å; K282-L284 PolarHBondContact O-N 3.12Å; L284-E288 VanDerWaalsContact CD2-OE2 3.29Å; L284-E288 WeakPolarHBondContact CD2-OE2 3.38Å; L284-L289 HydrophobicContact CB-CD2 3.97Å; L284-L289 HydrophobicContact CB-CG 4.45Å; L284-L289 HydrophobicContact CD1-CD2 4.07Å; L284-I292 HydrophobicContact CD1-CD1 4.01Å |
| 285 | P | 88.9 | Confident | 88 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -70 | 155.8 | 174.8 | 29.9 | -34.6 | 0 | 0 | 0 | 110.8 | S287 E288 L289 | P285-S287 PolarHBondContact O-N 2.68Å; P285-S287 VanDerWaalsContact O-N 3.07Å; P285-E288 VanDerWaalsContact CD-OE1 3.3Å; P285-E288 WeakPolarHBondContact CD-OE1 3.27Å; P285-E288 HydrophobicContact CG-CB 4.09Å; P285-E288 HydrophobicContact CG-CG 3.79Å; P285-E288 VanDerWaalsContact CG-OE1 3.31Å; P285-E288 WeakPolarHBondContact CG-OE1 3.43Å; P285-E288 PolarHBondContact O-N 3.45Å; P285-L289 PolarHBondContact O-N 2.8Å; P285-L289 VanDerWaalsContact O-N 3.16Å |
| 286 | V | 89.9 | Confident | 88.2 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -52.5 | -34.6 | 178.9 | 173 | 0 | 0 | 0 | 0 | 112.6 | E288 L289 L290 F381 P413 | V286-E288 VanDerWaalsContact C-N 3.33Å; V286-E288 PolarHBondContact O-N 3.4Å; V286-L289 PolarHBondContact O-N 3.15Å; V286-L290 HydrophobicContact CG1-CD1 4.19Å; V286-L290 WeakPolarHBondContact O-CB 3.24Å; V286-L290 WeakPolarHBondContact O-CG 3.47Å; V286-L290 PolarHBondContact O-N 2.91Å; V286-F381 HydrophobicContact CG1-CE1 4.28Å; V286-P413 HydrophobicContact CG1-CG 3.68Å |
| 287 | S | 86.9 | Confident | 88.4 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 36% | 0.357 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63 | -36.1 | 176.6 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | P285 D291 | P285-S287 PolarHBondContact O-N 2.68Å; P285-S287 VanDerWaalsContact O-N 3.07Å; S287-D291 PolarHBondContact O-N 3.47Å; S287-D291 VanDerWaalsContact O-N 3.1Å |
| 288 | E | 88.9 | Confident | 88.5 | Confident | 45 Ų | 45 | 47 Ų | 47 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -75.4 | -38.8 | 176.1 | -75 | -179.2 | -132.9 | 0 | 0 | 110.8 | L284 P285 V286 L290 D291 I292 | L284-E288 VanDerWaalsContact CD2-OE2 3.29Å; L284-E288 WeakPolarHBondContact CD2-OE2 3.38Å; P285-E288 VanDerWaalsContact CD-OE1 3.3Å; P285-E288 WeakPolarHBondContact CD-OE1 3.27Å; P285-E288 HydrophobicContact CG-CB 4.09Å; P285-E288 HydrophobicContact CG-CG 3.79Å; P285-E288 VanDerWaalsContact CG-OE1 3.31Å; P285-E288 WeakPolarHBondContact CG-OE1 3.43Å; P285-E288 PolarHBondContact O-N 3.45Å; V286-E288 VanDerWaalsContact C-N 3.33Å; V286-E288 PolarHBondContact O-N 3.4Å; E288-L290 VanDerWaalsContact C-N 3.31Å; E288-L290 PolarHBondContact O-N 2.83Å; E288-D291 PolarHBondContact O-N 2.67Å; E288-D291 VanDerWaalsContact O-N 3.1Å; E288-I292 VanDerWaalsContact O-CG1 3.31Å; E288-I292 WeakPolarHBondContact O-CG1 3.47Å; E288-I292 PolarHBondContact O-N 2.79Å |
| 289 | L | 93.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.5 | -41.4 | 173 | -60.7 | -177.1 | 0 | 0 | 0 | 112 | L276 L284 P285 V286 A293 I380 F381 | L276-L289 HydrophobicContact CD2-CD2 3.79Å; L284-L289 HydrophobicContact CB-CD2 3.97Å; L284-L289 HydrophobicContact CB-CG 4.45Å; L284-L289 HydrophobicContact CD1-CD2 4.07Å; P285-L289 PolarHBondContact O-N 2.8Å; P285-L289 VanDerWaalsContact O-N 3.16Å; V286-L289 PolarHBondContact O-N 3.15Å; L289-A293 WeakPolarHBondContact O-CB 3.31Å; L289-A293 PolarHBondContact O-N 2.6Å; L289-I380 HydrophobicContact CB-CG2 3.77Å; L289-I380 HydrophobicContact CD2-CG2 4.02Å; L289-I380 HydrophobicContact CG-CG2 4.36Å; L289-F381 HydrophobicContact CB-CD1 4.46Å; L289-F381 HydrophobicContact CB-CE1 3.96Å; L289-F381 HydrophobicContact CB-CZ 4.12Å; L289-F381 HydrophobicContact CD1-CD1 4.23Å; L289-F381 HydrophobicContact CD1-CE1 4.45Å |
| 290 | L | 92.7 | Very high | 90.3 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 172.9 | -79.6 | 169 | 0 | 0 | 0 | 112.4 | V286 E288 W294 F381 V416 L441 F444 | V286-L290 HydrophobicContact CG1-CD1 4.19Å; V286-L290 WeakPolarHBondContact O-CB 3.24Å; V286-L290 WeakPolarHBondContact O-CG 3.47Å; V286-L290 PolarHBondContact O-N 2.91Å; E288-L290 VanDerWaalsContact C-N 3.31Å; E288-L290 PolarHBondContact O-N 2.83Å; L290-W294 WeakPolarHBondContact O-CB 3.28Å; L290-W294 PolarHBondContact O-N 2.97Å; L290-F381 HydrophobicContact CD2-CZ 3.87Å; L290-F381 HydrophobicContact CG-CE1 4.46Å; L290-F381 HydrophobicContact CG-CZ 4.01Å; L290-V416 HydrophobicContact CD2-CG2 3.74Å; L290-L441 HydrophobicContact CD2-CD2 4.32Å; L290-F444 HydrophobicContact CD1-CB 4.14Å; L290-F444 HydrophobicContact CD2-CB 3.93Å; L290-F444 HydrophobicContact CD2-CD2 4.07Å |
| 291 | D | 91.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.5 | -44.2 | 178.1 | -158.8 | 70.8 | 0 | 0 | 0 | 111.4 | S86 K109 S287 E288 A293 W294 Q295 | S86-D291 PolarHBondContact OG-OD2 3.46Å; K109-D291 IonicContact NZ-OD1 2.85Å; K109-D291 PolarHBondContact NZ-OD1 3.39Å; K109-D291 VanDerWaalsContact NZ-OD1 3.08Å; S287-D291 PolarHBondContact O-N 3.47Å; S287-D291 VanDerWaalsContact O-N 3.1Å; E288-D291 PolarHBondContact O-N 2.67Å; E288-D291 VanDerWaalsContact O-N 3.1Å; D291-A293 PolarHBondContact O-N 2.82Å; D291-W294 WeakPolarHBondContact O-CB 3.44Å; D291-W294 PolarHBondContact O-N 3.18Å; D291-Q295 VanDerWaalsContact O-CG 3.29Å; D291-Q295 WeakPolarHBondContact O-CG 3.38Å; D291-Q295 PolarHBondContact O-N 2.75Å; D291-Q295 PolarHBondContact OD2-NE2 3.49Å |
| 292 | I | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56 | -50.4 | 172.9 | -69.3 | 167.7 | 0 | 0 | 0 | 110.6 | L272 L284 E288 W294 Q295 V296 I380 | L272-I292 HydrophobicContact CD1-CD1 4Å; L272-I292 HydrophobicContact CD1-CG2 3.84Å; L272-I292 HydrophobicContact CD2-CG2 3.59Å; L272-I292 HydrophobicContact CG-CG2 4.38Å; L284-I292 HydrophobicContact CD1-CD1 4.01Å; E288-I292 VanDerWaalsContact O-CG1 3.31Å; E288-I292 WeakPolarHBondContact O-CG1 3.47Å; E288-I292 PolarHBondContact O-N 2.79Å; I292-W294 VanDerWaalsContact C-N 3.29Å; I292-W294 PolarHBondContact O-N 2.79Å; I292-Q295 PolarHBondContact O-N 2.73Å; I292-V296 WeakPolarHBondContact O-CG2 3.42Å; I292-V296 PolarHBondContact O-N 3.25Å; I292-I380 HydrophobicContact CG2-CD1 4.11Å |
| 293 | A | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.5 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L289 D291 A297 L377 I380 L441 | L289-A293 WeakPolarHBondContact O-CB 3.31Å; L289-A293 PolarHBondContact O-N 2.6Å; D291-A293 PolarHBondContact O-N 2.82Å; A293-A297 WeakPolarHBondContact O-CB 3.4Å; A293-A297 PolarHBondContact O-N 3.22Å; A293-L377 HydrophobicContact CB-CD2 3.53Å; A293-I380 HydrophobicContact CB-CD1 4.12Å; A293-L441 HydrophobicContact CB-CD1 4.25Å; A293-L441 HydrophobicContact CB-CD2 4.14Å |
| 294 | W | 95.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 177.3 | 179.6 | 88.7 | 0 | 0 | 0 | 112.1 | E108 K109 L290 D291 I292 V296 A297 E298 R438 L441 | E108-W294 HydrophobicContact CB-CH2 3.57Å; E108-W294 HydrophobicContact CB-CZ2 4.21Å; E108-W294 HydrophobicContact CB-CZ3 4.42Å; E108-W294 WeakPolarHBondContact O-CZ2 3.49Å; K109-W294 HydrophobicContact CG-CD2 4.45Å; K109-W294 HydrophobicContact CG-CZ2 3.91Å; L290-W294 WeakPolarHBondContact O-CB 3.28Å; L290-W294 PolarHBondContact O-N 2.97Å; D291-W294 WeakPolarHBondContact O-CB 3.44Å; D291-W294 PolarHBondContact O-N 3.18Å; I292-W294 VanDerWaalsContact C-N 3.29Å; I292-W294 PolarHBondContact O-N 2.79Å; W294-V296 VanDerWaalsContact C-N 3.35Å; W294-V296 PolarHBondContact O-N 2.63Å; W294-A297 PolarHBondContact O-N 3.32Å; W294-E298 HydrophobicContact CH2-CB 4.45Å; W294-E298 HydrophobicContact CH2-CG 4.38Å; W294-E298 PolarHBondContact O-N 2.82Å; W294-R438 VanDerWaalsContact CD1-O 3.32Å; W294-R438 HydrophobicContact CZ2-CG 4.41Å; W294-L441 HydrophobicContact CB-CB 4.21Å |
| 295 | Q | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 177.4 | -71.6 | -178.7 | 55.6 | 0 | 0 | 111.6 | H246 D291 I292 E298 G299 T324 C326 | H246-Q295 WeakPolarHBondContact CB-O 3.38Å; H246-Q295 VanDerWaalsContact CE1-CG 3.45Å; H246-Q295 WeakPolarHBondContact CE1-CG 3.42Å; H246-Q295 PolarHBondContact CE1-OE1 2.74Å; H246-Q295 VanDerWaalsContact CE1-OE1 3.27Å; D291-Q295 VanDerWaalsContact O-CG 3.29Å; D291-Q295 WeakPolarHBondContact O-CG 3.38Å; D291-Q295 PolarHBondContact O-N 2.75Å; D291-Q295 PolarHBondContact OD2-NE2 3.49Å; I292-Q295 PolarHBondContact O-N 2.73Å; Q295-E298 PolarHBondContact O-N 2.87Å; Q295-G299 PolarHBondContact O-N 2.68Å; Q295-T324 PolarHBondContact NE2-O 3.01Å; Q295-T324 VanDerWaalsContact NE2-O 3.13Å; Q295-T324 PolarHBondContact OE1-O 3.1Å; Q295-C326 HydrophobicContact CB-CB 4.2Å |
| 296 | V | 98 | Very high | 94.5 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.1 | -42.5 | 175.5 | 178 | 0 | 0 | 0 | 0 | 111.3 | I292 W294 E298 G299 M300 L313 I318 C326 V328 F373 L376 | I292-V296 WeakPolarHBondContact O-CG2 3.42Å; I292-V296 PolarHBondContact O-N 3.25Å; W294-V296 VanDerWaalsContact C-N 3.35Å; W294-V296 PolarHBondContact O-N 2.63Å; V296-E298 VanDerWaalsContact C-N 3.26Å; V296-E298 PolarHBondContact O-N 3.1Å; V296-G299 PolarHBondContact O-N 3.14Å; V296-M300 HydrophobicContact CG1-CG 4.27Å; V296-M300 WeakPolarHBondContact O-CG 3.48Å; V296-M300 PolarHBondContact O-N 2.77Å; V296-L313 HydrophobicContact CG1-CD1 4.14Å; V296-I318 HydrophobicContact CG1-CD1 3.84Å; V296-I318 HydrophobicContact CG2-CD1 3.88Å; V296-I318 HydrophobicContact CG2-CG1 4Å; V296-I318 HydrophobicContact CG2-CG2 3.78Å; V296-C326 HydrophobicContact CG2-CB 4.47Å; V296-V328 HydrophobicContact CG1-CG2 4.04Å; V296-F373 HydrophobicContact CB-CE2 4.2Å; V296-F373 HydrophobicContact CG1-CD2 4.18Å; V296-F373 HydrophobicContact CG1-CE2 3.98Å; V296-L376 HydrophobicContact CB-CD2 4.35Å; V296-L376 HydrophobicContact CG1-CD2 3.63Å; V296-L376 HydrophobicContact CG2-CD2 4.44Å |
| 297 | A | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.5 | -36.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A293 W294 M300 C301 F373 R438 L441 | A293-A297 WeakPolarHBondContact O-CB 3.4Å; A293-A297 PolarHBondContact O-N 3.22Å; W294-A297 PolarHBondContact O-N 3.32Å; A297-M300 PolarHBondContact O-N 2.91Å; A297-C301 VanDerWaalsContact O-CB 3.26Å; A297-C301 WeakPolarHBondContact O-CB 3.34Å; A297-C301 PolarHBondContact O-N 2.93Å; A297-F373 HydrophobicContact CB-CE1 4.49Å; A297-F373 HydrophobicContact CB-CE2 4.11Å; A297-F373 HydrophobicContact CB-CZ 3.75Å; A297-R438 HydrophobicContact CB-CB 4.14Å; A297-L441 HydrophobicContact CB-CD1 3.87Å |
| 298 | E | 95.4 | Very high | 94.9 | Very high | 33 Ų | 33 | 22.3 Ų | 22.3 | 15% | 0.154 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.7 | -45.1 | 175 | -178.8 | 68.4 | 151.4 | 0 | 0 | 111.7 | W294 Q295 V296 M300 C301 Y302 R438 | W294-E298 HydrophobicContact CH2-CB 4.45Å; W294-E298 HydrophobicContact CH2-CG 4.38Å; W294-E298 PolarHBondContact O-N 2.82Å; Q295-E298 PolarHBondContact O-N 2.87Å; V296-E298 VanDerWaalsContact C-N 3.26Å; V296-E298 PolarHBondContact O-N 3.1Å; E298-M300 VanDerWaalsContact C-N 3.35Å; E298-M300 PolarHBondContact O-N 3.03Å; E298-C301 WeakPolarHBondContact O-CB 3.45Å; E298-C301 PolarHBondContact O-N 2.96Å; E298-Y302 PolarHBondContact O-N 3.1Å; E298-R438 VanDerWaalsContact CD-NH1 3.29Å; E298-R438 IonicContact OE1-NH1 3.23Å; E298-R438 PolarHBondContact OE1-NH1 3.3Å; E298-R438 WeakPolarHBondContact OE2-CD 3.24Å; E298-R438 IonicContact OE2-CZ 3.92Å; E298-R438 IonicContact OE2-NE 3.48Å; E298-R438 PolarHBondContact OE2-NE 3.44Å; E298-R438 IonicContact OE2-NH1 2.6Å; E298-R438 PolarHBondContact OE2-NH1 2.84Å |
| 299 | G | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.8 | -45.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q295 V296 Y302 L303 | Q295-G299 PolarHBondContact O-N 2.68Å; V296-G299 PolarHBondContact O-N 3.14Å; G299-Y302 WeakPolarHBondContact O-CB 3.33Å; G299-Y302 PolarHBondContact O-N 3.39Å; G299-L303 PolarHBondContact O-N 3.46Å |
| 300 | M | 98.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.5 | -32.3 | 178 | -68.1 | -57.9 | -55.8 | 0 | 0 | 113.1 | V296 A297 E298 Y302 L303 E304 H310 L313 V328 D369 F434 | V296-M300 HydrophobicContact CG1-CG 4.27Å; V296-M300 WeakPolarHBondContact O-CG 3.48Å; V296-M300 PolarHBondContact O-N 2.77Å; A297-M300 PolarHBondContact O-N 2.91Å; E298-M300 VanDerWaalsContact C-N 3.35Å; E298-M300 PolarHBondContact O-N 3.03Å; M300-Y302 VanDerWaalsContact C-N 3.28Å; M300-Y302 PolarHBondContact O-N 2.87Å; M300-L303 HydrophobicContact CE-CD1 4.2Å; M300-L303 PolarHBondContact O-N 3.01Å; M300-L303 HydrophobicContact SD-CD1 3.76Å; M300-E304 WeakPolarHBondContact O-CB 3.37Å; M300-E304 PolarHBondContact O-N 2.89Å; M300-H310 HydrophobicContact CE-CB 3.93Å; M300-H310 HydrophobicContact SD-CB 4.35Å; M300-L313 HydrophobicContact CE-CD2 4.07Å; M300-L313 HydrophobicContact CG-CD1 4.26Å; M300-L313 HydrophobicContact CG-CD2 3.83Å; M300-L313 HydrophobicContact SD-CD1 3.83Å; M300-L313 HydrophobicContact SD-CD2 3.89Å; M300-L313 HydrophobicContact SD-CG 4.41Å; M300-V328 HydrophobicContact CG-CG2 4.47Å; M300-V328 HydrophobicContact SD-CG1 4.18Å; M300-V328 HydrophobicContact SD-CG2 4.35Å; M300-D369 HydrophobicContact CE-CB 3.87Å; M300-F434 HydrophobicContact CB-CB 4.44Å; M300-F434 HydrophobicContact CB-CD1 3.38Å; M300-F434 HydrophobicContact CB-CD2 3.91Å; M300-F434 HydrophobicContact CB-CE1 3.38Å; M300-F434 HydrophobicContact CB-CE2 3.91Å; M300-F434 HydrophobicContact CB-CG 3.65Å; M300-F434 HydrophobicContact CB-CZ 3.65Å; M300-F434 HydrophobicContact CE-CE2 3.8Å; M300-F434 HydrophobicContact CE-CZ 3.73Å; M300-F434 HydrophobicContact CG-CD1 4.28Å; M300-F434 HydrophobicContact CG-CE1 3.81Å; M300-F434 HydrophobicContact CG-CZ 3.96Å |
| 301 | C | 96.7 | Very high | 95.3 | Very high | 21 Ų | 21 | 20.2 Ų | 20.2 | 14% | 0.142 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 171.5 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | A297 E298 S305 F434 | A297-C301 VanDerWaalsContact O-CB 3.26Å; A297-C301 WeakPolarHBondContact O-CB 3.34Å; A297-C301 PolarHBondContact O-N 2.93Å; E298-C301 WeakPolarHBondContact O-CB 3.45Å; E298-C301 PolarHBondContact O-N 2.96Å; C301-S305 PolarHBondContact O-N 3.06Å; C301-F434 HydrophobicContact CB-CB 3.93Å |
| 302 | Y | 96 | Very high | 95.4 | Very high | 40 Ų | 40 | 20.9 Ų | 20.9 | 16% | 0.157 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.8 | -48.9 | 172.2 | 171.8 | -98.7 | 0 | 0 | 0 | 111.4 | L242 R243 H244 I247 E298 G299 M300 E304 S305 Q306 | L242-Y302 HydrophobicContact CB-CE1 4.21Å; L242-Y302 HydrophobicContact CD2-CE1 3.88Å; R243-Y302 PolarHBondContact N-OH 3.21Å; R243-Y302 VanDerWaalsContact O-CZ 3.27Å; R243-Y302 PolarHBondContact O-OH 3.24Å; H244-Y302 HydrophobicContact CB-CD1 3.45Å; H244-Y302 VanDerWaalsContact CB-CD1 3.45Å; H244-Y302 HydrophobicContact CB-CD2 3.99Å; H244-Y302 HydrophobicContact CB-CE1 3.67Å; H244-Y302 HydrophobicContact CB-CE2 4.2Å; H244-Y302 HydrophobicContact CB-CG 3.6Å; H244-Y302 AromaticContact CD2-CG 3.91Å; H244-Y302 AromaticContact CG-CD1 3.97Å; H244-Y302 AromaticContact CG-CG 3.69Å; I247-Y302 HydrophobicContact CG1-CD1 3.84Å; I247-Y302 HydrophobicContact CG1-CE1 4.34Å; E298-Y302 PolarHBondContact O-N 3.1Å; G299-Y302 WeakPolarHBondContact O-CB 3.33Å; G299-Y302 PolarHBondContact O-N 3.39Å; M300-Y302 VanDerWaalsContact C-N 3.28Å; M300-Y302 PolarHBondContact O-N 2.87Å; Y302-E304 VanDerWaalsContact C-N 3.32Å; Y302-E304 PolarHBondContact O-N 3.24Å; Y302-S305 WeakPolarHBondContact O-CB 3.37Å; Y302-S305 PolarHBondContact O-N 3.11Å; Y302-S305 PolarHBondContact O-OG 2.94Å; Y302-Q306 HydrophobicContact CD1-CG 4.36Å; Y302-Q306 HydrophobicContact CD2-CG 4.28Å; Y302-Q306 HydrophobicContact CE1-CG 3.91Å; Y302-Q306 HydrophobicContact CE2-CG 3.81Å; Y302-Q306 WeakPolarHBondContact O-CG 3.16Å; Y302-Q306 PolarHBondContact O-N 3.47Å; Y302-Q306 VanDerWaalsContact O-N 3.08Å |
| 303 | L | 95.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.3 | -43.9 | 177.5 | -66.8 | -176.7 | 0 | 0 | 0 | 112.6 | L242 I247 G299 M300 S305 Q306 N307 Y308 F331 | L242-L303 HydrophobicContact CD1-CD2 3.56Å; L242-L303 HydrophobicContact CD2-CD2 3.72Å; L242-L303 HydrophobicContact CG-CD2 4.16Å; I247-L303 HydrophobicContact CD1-CD1 4.05Å; I247-L303 HydrophobicContact CD1-CD2 3.89Å; I247-L303 HydrophobicContact CD1-CG 3.79Å; I247-L303 HydrophobicContact CG1-CD2 4.38Å; G299-L303 PolarHBondContact O-N 3.46Å; M300-L303 HydrophobicContact CE-CD1 4.2Å; M300-L303 PolarHBondContact O-N 3.01Å; M300-L303 HydrophobicContact SD-CD1 3.76Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 2.76Å; L303-Q306 CarbonylContact O-C 3.49Å; L303-Q306 WeakPolarHBondContact O-CA 3.41Å; L303-Q306 PolarHBondContact O-N 3.02Å; L303-N307 PolarHBondContact O-N 3.39Å; L303-Y308 PolarHBondContact O-N 3.08Å; L303-F331 HydrophobicContact CD1-CE1 4.01Å; L303-F331 HydrophobicContact CD2-CE1 4.14Å |
| 304 | E | 95.4 | Very high | 95.5 | Very high | 41 Ų | 41 | 20.9 Ų | 20.9 | 19% | 0.192 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.1 | -44.7 | 174.6 | 180 | 173.6 | -118.1 | 0 | 0 | 110.9 | M300 Y302 Q306 N307 T366 F434 | M300-E304 WeakPolarHBondContact O-CB 3.37Å; M300-E304 PolarHBondContact O-N 2.89Å; Y302-E304 VanDerWaalsContact C-N 3.32Å; Y302-E304 PolarHBondContact O-N 3.24Å; E304-Q306 PolarHBondContact O-N 2.85Å; E304-N307 PolarHBondContact O-N 3.38Å; E304-T366 HydrophobicContact CB-CG2 4.46Å; E304-T366 HydrophobicContact CG-CG2 4.12Å; E304-F434 HydrophobicContact CB-CD2 4.37Å; E304-F434 PolarHBondContact OE2-N 3.44Å; E304-F434 VanDerWaalsContact OE2-N 3.12Å |
| 305 | S | 95.3 | Very high | 95.7 | Very high | 71 Ų | 71 | 20.7 Ų | 20.7 | 50% | 0.497 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -64 | -24.7 | 176.6 | 81.8 | 0 | 0 | 0 | 0 | 113.9 | C301 Y302 L303 N307 | C301-S305 PolarHBondContact O-N 3.06Å; Y302-S305 WeakPolarHBondContact O-CB 3.37Å; Y302-S305 PolarHBondContact O-N 3.11Å; Y302-S305 PolarHBondContact O-OG 2.94Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 2.76Å; S305-N307 VanDerWaalsContact C-N 3.34Å |
| 306 | Q | 93.9 | Very high | 95.7 | Very high | 78 Ų | 78 | 24.6 Ų | 24.6 | 36% | 0.364 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 6.1 | 177.3 | -59.2 | -51.1 | -66.6 | 0 | 0 | 112.7 | L242 Y302 L303 E304 Y308 L336 | L242-Q306 HydrophobicContact CD2-CB 3.94Å; L242-Q306 HydrophobicContact CD2-CG 4.04Å; Y302-Q306 HydrophobicContact CD1-CG 4.36Å; Y302-Q306 HydrophobicContact CD2-CG 4.28Å; Y302-Q306 HydrophobicContact CE1-CG 3.91Å; Y302-Q306 HydrophobicContact CE2-CG 3.81Å; Y302-Q306 WeakPolarHBondContact O-CG 3.16Å; Y302-Q306 PolarHBondContact O-N 3.47Å; Y302-Q306 VanDerWaalsContact O-N 3.08Å; L303-Q306 CarbonylContact O-C 3.49Å; L303-Q306 WeakPolarHBondContact O-CA 3.41Å; L303-Q306 PolarHBondContact O-N 3.02Å; E304-Q306 PolarHBondContact O-N 2.85Å; Q306-Y308 VanDerWaalsContact C-N 3.25Å; Q306-Y308 HydrophobicContact CB-CD2 3.98Å; Q306-Y308 WeakPolarHBondContact O-CD2 3.31Å; Q306-Y308 PolarHBondContact O-N 3.14Å; Q306-L336 WeakPolarHBondContact O-CD1 3.46Å |
| 307 | N | 92.9 | Very high | 95.6 | Very high | 94 Ų | 94 | 25.1 Ų | 25.1 | 50% | 0.503 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 35.5 | -174.5 | -53.4 | -70.4 | 0 | 0 | 0 | 113.2 | L303 E304 S305 L336 I337 | L303-N307 PolarHBondContact O-N 3.39Å; E304-N307 PolarHBondContact O-N 3.38Å; S305-N307 VanDerWaalsContact C-N 3.34Å; N307-L336 HydrophobicContact CB-CD1 4.13Å; N307-L336 WeakPolarHBondContact O-CA 3.28Å; N307-I337 HydrophobicContact CB-CG1 4.44Å; N307-I337 VanDerWaalsContact O-CG1 3.25Å; N307-I337 WeakPolarHBondContact O-CG1 3.42Å; N307-I337 PolarHBondContact O-N 3.31Å |
| 308 | Y | 93.7 | Very high | 95.6 | Very high | 18 Ų | 18 | 25.1 Ų | 25.1 | 7% | 0.071 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 140 | 172.5 | -87.2 | -96.7 | 0 | 0 | 0 | 111.6 | A238 L242 L303 Q306 R335 L336 | A238-Y308 HydrophobicContact CB-CD1 4.47Å; A238-Y308 HydrophobicContact CB-CE1 3.68Å; L242-Y308 HydrophobicContact CD1-CD1 4.25Å; L242-Y308 HydrophobicContact CD1-CE1 4.41Å; L242-Y308 HydrophobicContact CD1-CG 4.31Å; L242-Y308 HydrophobicContact CD2-CD2 3.76Å; L242-Y308 HydrophobicContact CD2-CE2 3.98Å; L242-Y308 HydrophobicContact CD2-CG 4.24Å; L242-Y308 HydrophobicContact CG-CD2 4.48Å; L242-Y308 HydrophobicContact CG-CE2 4.41Å; L303-Y308 PolarHBondContact O-N 3.08Å; Q306-Y308 VanDerWaalsContact C-N 3.25Å; Q306-Y308 HydrophobicContact CB-CD2 3.98Å; Q306-Y308 WeakPolarHBondContact O-CD2 3.31Å; Q306-Y308 PolarHBondContact O-N 3.14Å; Y308-R335 WeakPolarHBondContact CA-O 3.45Å; Y308-L336 HydrophobicContact CD1-CB 4.49Å; Y308-L336 HydrophobicContact CD2-CD1 3.95Å; Y308-L336 HydrophobicContact CE1-CB 4Å; Y308-L336 HydrophobicContact CE2-CB 4.05Å; Y308-L336 HydrophobicContact CE2-CD1 3.7Å; Y308-L336 HydrophobicContact CE2-CG 4.41Å |
| 309 | I | 94.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 139.8 | 164.4 | 59.4 | 175.2 | 0 | 0 | 0 | 109.5 | R311 A334 R335 I337 Y342 S365 T366 D369 | I309-R311 HydrophobicContact CB-CG 4.36Å; I309-R311 HydrophobicContact CD1-CG 3.79Å; I309-R311 HydrophobicContact CG1-CG 3.94Å; I309-A334 CarbonylContact O-C 3.59Å; I309-A334 WeakPolarHBondContact O-CA 2.93Å; I309-R335 HydrophobicContact CD1-CB 4.33Å; I309-R335 HydrophobicContact CG1-CB 3.95Å; I309-R335 WeakPolarHBondContact CG1-O 3.29Å; I309-R335 PolarHBondContact N-O 2.84Å; I309-R335 PolarHBondContact O-N 3.33Å; I309-I337 HydrophobicContact CD1-CG2 3.74Å; I309-I337 HydrophobicContact CG1-CG2 3.9Å; I309-I337 HydrophobicContact CG2-CD1 3.76Å; I309-I337 HydrophobicContact CG2-CG1 4.34Å; I309-I337 HydrophobicContact CG2-CG2 4.3Å; I309-Y342 HydrophobicContact CD1-CD1 3.86Å; I309-Y342 HydrophobicContact CD1-CG 4.12Å; I309-S365 VanDerWaalsContact CG2-C 3.47Å; I309-T366 HydrophobicContact CG2-CG2 4.05Å; I309-D369 VanDerWaalsContact CA-OD2 3.28Å; I309-D369 WeakPolarHBondContact CA-OD2 3.45Å |
| 310 | H | 94.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -86 | -42.8 | -178.3 | -169 | -72.4 | 0 | 0 | 0 | 112.1 | M300 D312 L313 V328 G329 D330 D369 | M300-H310 HydrophobicContact CE-CB 3.93Å; M300-H310 HydrophobicContact SD-CB 4.35Å; H310-D312 PolarHBondContact CE1-O 3.36Å; H310-D312 PolarHBondContact ND1-N 3Å; H310-D312 PolarHBondContact ND1-O 3.22Å; H310-D312 PolarHBondContact O-N 3.43Å; H310-L313 PolarHBondContact ND1-N 2.74Å; H310-V328 WeakPolarHBondContact CD2-CG1 3.28Å; H310-V328 VanDerWaalsContact NE2-CG1 3.33Å; H310-V328 WeakPolarHBondContact NE2-CG1 3.44Å; H310-G329 PolarHBondContact NE2-O 2.97Å; H310-D330 PolarHBondContact CE1-O 2.79Å; H310-D369 PolarHBondContact N-OD2 3.46Å | ||
| 311 | R | 93.9 | Very high | 95.2 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 6% | 0.057 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 67.3 | -18.3 | 178.9 | -59 | 175.2 | 53.2 | -147.7 | 3.4 | 116.7 | I309 L333 S344 D346 Y364 D369 | I309-R311 HydrophobicContact CB-CG 4.36Å; I309-R311 HydrophobicContact CD1-CG 3.79Å; I309-R311 HydrophobicContact CG1-CG 3.94Å; R311-L333 HydrophobicContact CB-CB 4.16Å; R311-L333 WeakPolarHBondContact CD-O 3.46Å; R311-L333 PolarHBondContact NH1-O 2.92Å; R311-L333 VanDerWaalsContact NH1-O 3.13Å; R311-S344 PolarHBondContact NH2-OG 3.44Å; R311-D346 IonicContact CZ-OD2 3.65Å; R311-D346 IonicContact NH1-OD2 3.69Å; R311-D346 IonicContact NH2-OD2 2.8Å; R311-D346 PolarHBondContact NH2-OD2 2.94Å; R311-Y364 HydrophobicContact CB-CD1 4.1Å; R311-Y364 HydrophobicContact CB-CE1 4.27Å; R311-Y364 HydrophobicContact CG-CD1 3.67Å; R311-Y364 HydrophobicContact CG-CE1 4.3Å; R311-Y364 HydrophobicContact CG-CG 4.09Å; R311-D369 PolarHBondContact N-OD1 2.82Å |
| 312 | D | 93.3 | Very high | 94.6 | Very high | 19 Ų | 19 | 31 Ų | 31 | 10% | 0.102 | 15% | 0.153 | C | C | . | . | trans | -132.2 | 51.9 | 171.7 | -165.9 | 18 | 0 | 0 | 0 | 114.3 | H310 A314 R316 N317 L333 P350 | H310-D312 PolarHBondContact CE1-O 3.36Å; H310-D312 PolarHBondContact ND1-N 3Å; H310-D312 PolarHBondContact ND1-O 3.22Å; H310-D312 PolarHBondContact O-N 3.43Å; D312-A314 PolarHBondContact O-N 3.45Å; D312-R316 IonicContact OD1-CZ 2.82Å; D312-R316 IonicContact OD1-NH2 3.35Å; D312-R316 PolarHBondContact OD1-NH2 3.34Å; D312-R316 IonicContact OD2-CZ 3.68Å; D312-R316 IonicContact OD2-NE 2.78Å; D312-R316 IonicContact OD2-NH2 2.96Å; D312-R316 PolarHBondContact OD2-NH2 3.32Å; D312-N317 PolarHBondContact O-ND2 3.37Å; D312-N317 PolarHBondContact OD2-ND2 2.91Å; D312-L333 HydrophobicContact CB-CD1 4.19Å; D312-P350 HydrophobicContact CB-CG 4.27Å; D312-P350 VanDerWaalsContact OD1-CB 3.24Å; D312-P350 WeakPolarHBondContact OD1-CB 3.46Å; D312-P350 WeakPolarHBondContact OD1-CG 3.38Å | ||
| 313 | L | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -77.1 | 111 | 178.4 | -177 | 65.7 | 0 | 0 | 0 | 110.6 | V296 M300 H310 I318 V328 F373 L376 F434 | V296-L313 HydrophobicContact CG1-CD1 4.14Å; M300-L313 HydrophobicContact CE-CD2 4.07Å; M300-L313 HydrophobicContact CG-CD1 4.26Å; M300-L313 HydrophobicContact CG-CD2 3.83Å; M300-L313 HydrophobicContact SD-CD1 3.83Å; M300-L313 HydrophobicContact SD-CD2 3.89Å; M300-L313 HydrophobicContact SD-CG 4.41Å; H310-L313 PolarHBondContact ND1-N 2.74Å; L313-I318 HydrophobicContact CD1-CD1 3.85Å; L313-V328 HydrophobicContact CD1-CG1 4.13Å; L313-F373 HydrophobicContact CD2-CB 3.78Å; L313-F373 HydrophobicContact CD2-CD2 4.08Å; L313-F373 HydrophobicContact CD2-CG 4.45Å; L313-L376 HydrophobicContact CD1-CD2 4.21Å; L313-L376 HydrophobicContact CG-CD2 4.19Å; L313-F434 HydrophobicContact CD2-CZ 4.37Å | ||
| 314 | A | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -155.5 | 162.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D312 R316 N317 I318 W353 | D312-A314 PolarHBondContact O-N 3.45Å; A314-R316 HydrophobicContact CB-CG 4.13Å; A314-R316 VanDerWaalsContact CB-NH1 3.3Å; A314-R316 PolarHBondContact O-N 3.37Å; A314-R316 VanDerWaalsContact O-N 3.14Å; A314-N317 PolarHBondContact O-N 3.17Å; A314-I318 PolarHBondContact O-N 3.15Å; A314-W353 HydrophobicContact CB-CD2 4.23Å; A314-W353 HydrophobicContact CB-CG 4.07Å |
| 315 | A | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -60.8 | -29.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | L272 L273 N317 I318 L376 E379 | L272-A315 WeakPolarHBondContact CB-O 3.46Å; L272-A315 PolarHBondContact N-O 3.44Å; L273-A315 HydrophobicContact CB-CB 4.03Å; L273-A315 HydrophobicContact CD1-CB 4.36Å; L273-A315 PolarHBondContact N-O 3.04Å; A315-N317 PolarHBondContact O-N 3.5Å; A315-I318 PolarHBondContact O-N 2.98Å; A315-L376 HydrophobicContact CB-CD1 3.76Å; A315-E379 HydrophobicContact CB-CB 4.07Å; A315-E379 HydrophobicContact CB-CG 4.49Å; A315-E379 PolarHBondContact N-OE2 3.16Å |
| 316 | R | 95.6 | Very high | 93.2 | Very high | 82 Ų | 82 | 27.5 Ų | 27.5 | 31% | 0.309 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -66.2 | -23.2 | 174.6 | 64.3 | 177.5 | -175.3 | -76.9 | -3.7 | 113.9 | L273 D312 A314 | L273-R316 HydrophobicContact CB-CB 4.4Å; L273-R316 HydrophobicContact CD2-CB 4.05Å; D312-R316 IonicContact OD1-CZ 2.82Å; D312-R316 IonicContact OD1-NH2 3.35Å; D312-R316 PolarHBondContact OD1-NH2 3.34Å; D312-R316 IonicContact OD2-CZ 3.68Å; D312-R316 IonicContact OD2-NE 2.78Å; D312-R316 IonicContact OD2-NH2 2.96Å; D312-R316 PolarHBondContact OD2-NH2 3.32Å; A314-R316 HydrophobicContact CB-CG 4.13Å; A314-R316 VanDerWaalsContact CB-NH1 3.3Å; A314-R316 PolarHBondContact O-N 3.37Å; A314-R316 VanDerWaalsContact O-N 3.14Å |
| 317 | N | 95.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -103.4 | 5.9 | -178.5 | -65.5 | -14.3 | 0 | 0 | 0 | 112.2 | D312 A314 A315 G329 D330 | D312-N317 PolarHBondContact O-ND2 3.37Å; D312-N317 PolarHBondContact OD2-ND2 2.91Å; A314-N317 PolarHBondContact O-N 3.17Å; A315-N317 PolarHBondContact O-N 3.5Å; N317-G329 PolarHBondContact O-N 3.33Å; N317-D330 HydrophobicContact CB-CB 4.24Å |
| 318 | I | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.8 | 166.7 | -52.4 | -52.4 | 0 | 0 | 0 | 107.2 | S271 L272 V296 L313 A314 A315 C326 V328 L376 | S271-I318 CarbonylContact C-O 3.56Å; S271-I318 WeakPolarHBondContact CA-O 3.41Å; L272-I318 HydrophobicContact CB-CB 3.8Å; L272-I318 HydrophobicContact CB-CG2 4.04Å; L272-I318 HydrophobicContact CD2-CB 3.99Å; L272-I318 HydrophobicContact CD2-CG1 4.26Å; L272-I318 HydrophobicContact CD2-CG2 3.98Å; L272-I318 PolarHBondContact N-O 2.96Å; V296-I318 HydrophobicContact CG1-CD1 3.84Å; V296-I318 HydrophobicContact CG2-CD1 3.88Å; V296-I318 HydrophobicContact CG2-CG1 4Å; V296-I318 HydrophobicContact CG2-CG2 3.78Å; L313-I318 HydrophobicContact CD1-CD1 3.85Å; A314-I318 PolarHBondContact O-N 3.15Å; A315-I318 PolarHBondContact O-N 2.98Å; I318-C326 HydrophobicContact CG2-CB 3.92Å; I318-V328 HydrophobicContact CD1-CB 4.31Å; I318-V328 HydrophobicContact CD1-CG1 4.27Å; I318-V328 HydrophobicContact CD1-CG2 3.97Å; I318-L376 HydrophobicContact CD1-CD2 4.3Å; I318-L376 HydrophobicContact CG1-CD1 4.28Å; I318-L376 HydrophobicContact CG1-CD2 4.1Å |
| 319 | L | 96.4 | Very high | 93.4 | Very high | 45 Ų | 45 | 19.3 Ų | 19.3 | 24% | 0.236 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 143.9 | 177.9 | -62.4 | 175.3 | 0 | 0 | 0 | 110.2 | L248 M267 G270 C326 K327 | L248-L319 HydrophobicContact CD1-CD1 3.82Å; L248-L319 HydrophobicContact CD2-CD1 3.75Å; L248-L319 HydrophobicContact CG-CD1 4.35Å; M267-L319 HydrophobicContact CB-CB 3.65Å; M267-L319 HydrophobicContact CB-CD1 4.42Å; M267-L319 HydrophobicContact CE-CB 4.14Å; M267-L319 WeakPolarHBondContact CE-O 3.29Å; M267-L319 HydrophobicContact CG-CB 3.56Å; M267-L319 HydrophobicContact CG-CD1 4.06Å; M267-L319 HydrophobicContact CG-CG 4.44Å; G270-L319 WeakPolarHBondContact O-CA 3.42Å; L319-C326 WeakPolarHBondContact O-CA 2.72Å; L319-K327 PolarHBondContact N-O 3.26Å; L319-K327 PolarHBondContact O-N 3.45Å |
| 320 | V | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.2 | -174.9 | -168.1 | 0 | 0 | 0 | 0 | 110.6 | M267 K269 G270 L272 L275 L325 | M267-V320 CarbonylContact C-O 3.55Å; M267-V320 VanDerWaalsContact C-O 3.31Å; K269-V320 WeakPolarHBondContact CA-O 3.45Å; K269-V320 HydrophobicContact CB-CB 4.02Å; K269-V320 HydrophobicContact CB-CG1 4.16Å; K269-V320 WeakPolarHBondContact CB-O 3.26Å; K269-V320 HydrophobicContact CD-CG1 4.17Å; K269-V320 PolarHBondContact N-O 3.47Å; G270-V320 PolarHBondContact O-N 2.99Å; L272-V320 HydrophobicContact CB-CG2 3.89Å; L272-V320 HydrophobicContact CD1-CG2 4.2Å; L275-V320 HydrophobicContact CD2-CB 4.37Å; L275-V320 HydrophobicContact CD2-CG1 3.96Å; L275-V320 HydrophobicContact CD2-CG2 4.09Å; V320-L325 WeakPolarHBondContact CA-O 3.44Å |
| 321 | G | 90.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 5% | 0.052 | 11% | 0.106 | C | C | . | . | trans | -96.1 | -161 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K269 L325 | K269-G321 WeakPolarHBondContact CD-O 3.27Å; K269-G321 WeakPolarHBondContact CE-O 3.37Å; G321-L325 PolarHBondContact N-O 3.3Å | ||
| 322 | E | 84.2 | Confident | 90.7 | Very high | 129 Ų | 129 | 21.4 Ų | 21.4 | 60% | 0.603 | 11% | 0.106 | S | C | * | . | G | 310 helix | trans | -59.2 | 151.2 | 170.9 | -63.6 | -167.1 | 167.4 | 0 | 0 | 111.3 | V268 T324 L325 | V268-E322 HydrophobicContact CG2-CG 3.73Å; E322-T324 PolarHBondContact O-N 3.36Å; E322-L325 WeakPolarHBondContact O-CB 3.5Å; E322-L325 PolarHBondContact O-N 3.48Å |
| 323 | N | 80.3 | Confident | 89.6 | Confident | 27 Ų | 27 | 22.4 Ų | 22.4 | 14% | 0.144 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | 56.5 | 27.7 | 171.2 | -47.6 | -36.6 | 0 | 0 | 0 | 114.3 | E87 H90 L325 | E87-N323 HydrophobicContact CB-CB 3.98Å; E87-N323 VanDerWaalsContact CD-CG 3.43Å; E87-N323 HydrophobicContact CG-CB 4.33Å; E87-N323 PolarHBondContact OE1-ND2 2.89Å; E87-N323 WeakPolarHBondContact OE2-CB 3.38Å; E87-N323 PolarHBondContact OE2-ND2 3.29Å; E87-N323 PolarHBondContact OE2-OD1 3.44Å; H90-N323 PolarHBondContact CE1-OD1 3.2Å; H90-N323 VanDerWaalsContact CE1-OD1 3.29Å; H90-N323 PolarHBondContact ND1-OD1 3.25Å; N323-L325 PolarHBondContact O-N 3.06Å |
| 324 | T | 87.1 | Confident | 88.6 | Confident | 9 Ų | 9 | 22.8 Ų | 22.8 | 6% | 0.055 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | 61.7 | 26.6 | -179.2 | 66.2 | 0 | 0 | 0 | 0 | 114 | S86 Q295 E322 C326 | S86-T324 WeakPolarHBondContact CB-OG1 3.45Å; S86-T324 PolarHBondContact OG-OG1 2.91Å; Q295-T324 PolarHBondContact NE2-O 3.01Å; Q295-T324 VanDerWaalsContact NE2-O 3.13Å; Q295-T324 PolarHBondContact OE1-O 3.1Å; E322-T324 PolarHBondContact O-N 3.36Å; T324-C326 PolarHBondContact O-N 3.05Å; T324-C326 PolarHBondContact O-SG 3.36Å |
| 325 | L | 89.3 | Confident | 87.8 | Confident | 44 Ų | 44 | 27 Ų | 27 | 23% | 0.23 | 13% | 0.13 | C | C | . | . | trans | -63.1 | 118 | 168.4 | 179.5 | 66.7 | 0 | 0 | 0 | 109.3 | K245 V320 G321 E322 N323 | K245-L325 HydrophobicContact CG-CD1 4.32Å; V320-L325 WeakPolarHBondContact CA-O 3.44Å; G321-L325 PolarHBondContact N-O 3.3Å; E322-L325 WeakPolarHBondContact O-CB 3.5Å; E322-L325 PolarHBondContact O-N 3.48Å; N323-L325 PolarHBondContact O-N 3.06Å | ||
| 326 | C | 95.1 | Very high | 87 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 136.4 | 179.2 | -65.9 | 0 | 0 | 0 | 0 | 110.3 | H246 Q295 V296 I318 L319 T324 | H246-C326 PolarHBondContact ND1-O 2.88Å; Q295-C326 HydrophobicContact CB-CB 4.2Å; V296-C326 HydrophobicContact CG2-CB 4.47Å; I318-C326 HydrophobicContact CG2-CB 3.92Å; L319-C326 WeakPolarHBondContact O-CA 2.72Å; T324-C326 PolarHBondContact O-N 3.05Å; T324-C326 PolarHBondContact O-SG 3.36Å |
| 327 | K | 96.6 | Very high | 86.5 | Confident | 16 Ų | 16 | 27.9 Ų | 27.9 | 7% | 0.07 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.1 | 173.9 | -58.6 | -169.2 | 176.6 | -158.7 | 0 | 110.3 | K245 H246 E265 M267 L319 G329 | K245-K327 WeakPolarHBondContact O-CE 3.38Å; H246-K327 WeakPolarHBondContact O-CA 3.44Å; E265-K327 VanDerWaalsContact CD-CD 3.48Å; E265-K327 WeakPolarHBondContact OE1-CD 3.5Å; E265-K327 WeakPolarHBondContact OE1-CE 3.37Å; E265-K327 IonicContact OE1-NZ 3.04Å; E265-K327 PolarHBondContact OE1-NZ 3.43Å; E265-K327 WeakPolarHBondContact OE2-CD 3.34Å; E265-K327 WeakPolarHBondContact OE2-CE 3.5Å; E265-K327 IonicContact OE2-NZ 3.6Å; E265-K327 PolarHBondContact OE2-NZ 2.88Å; M267-K327 HydrophobicContact CE-CB 3.93Å; M267-K327 HydrophobicContact CE-CD 4.01Å; M267-K327 HydrophobicContact CE-CG 3.69Å; M267-K327 HydrophobicContact SD-CD 4.07Å; M267-K327 HydrophobicContact SD-CG 4.41Å; L319-K327 PolarHBondContact N-O 3.26Å; L319-K327 PolarHBondContact O-N 3.45Å; K327-G329 PolarHBondContact O-N 2.86Å |
| 328 | V | 97 | Very high | 85.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 126.4 | 171.3 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | H246 I247 L248 V296 M300 H310 L313 I318 F331 | H246-V328 PolarHBondContact O-N 3.05Å; I247-V328 HydrophobicContact CD1-CB 3.89Å; I247-V328 HydrophobicContact CD1-CG2 4.27Å; L248-V328 PolarHBondContact N-O 3.4Å; V296-V328 HydrophobicContact CG1-CG2 4.04Å; M300-V328 HydrophobicContact CG-CG2 4.47Å; M300-V328 HydrophobicContact SD-CG1 4.18Å; M300-V328 HydrophobicContact SD-CG2 4.35Å; H310-V328 WeakPolarHBondContact CD2-CG1 3.28Å; H310-V328 VanDerWaalsContact NE2-CG1 3.33Å; H310-V328 WeakPolarHBondContact NE2-CG1 3.44Å; L313-V328 HydrophobicContact CD1-CG1 4.13Å; I318-V328 HydrophobicContact CD1-CB 4.31Å; I318-V328 HydrophobicContact CD1-CG1 4.27Å; I318-V328 HydrophobicContact CD1-CG2 3.97Å; V328-F331 WeakPolarHBondContact O-CZ 3.3Å |
| 329 | G | 91.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | trans | -130.8 | -174.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H310 N317 K327 | H310-G329 PolarHBondContact NE2-O 2.97Å; N317-G329 PolarHBondContact O-N 3.33Å; K327-G329 PolarHBondContact O-N 2.86Å | ||
| 330 | D | 81.8 | Confident | 84.6 | Confident | 54 Ų | 54 | 48.9 Ų | 48.9 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | trans | 57.7 | 74.7 | -174 | -160.4 | -2.2 | 0 | 0 | 0 | 114 | H310 N317 G332 | H310-D330 PolarHBondContact CE1-O 2.79Å; N317-D330 HydrophobicContact CB-CB 4.24Å; D330-G332 PolarHBondContact O-N 3.44Å; D330-G332 PolarHBondContact OD1-N 3.49Å | ||
| 331 | F | 75.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -83.2 | 14.3 | 176.3 | -62.8 | -79.2 | 0 | 0 | 0 | 112.8 | E235 M239 L242 I247 L248 L303 V328 L333 A334 | E235-F331 HydrophobicContact CG-CB 4.13Å; M239-F331 HydrophobicContact CG-CB 4.4Å; M239-F331 HydrophobicContact CG-CD2 3.66Å; M239-F331 HydrophobicContact CG-CE2 4.4Å; M239-F331 HydrophobicContact CG-CG 4.28Å; M239-F331 HydrophobicContact SD-CD2 4.22Å; L242-F331 HydrophobicContact CD1-CD1 4.16Å; L242-F331 HydrophobicContact CD1-CE1 4.03Å; I247-F331 HydrophobicContact CD1-CZ 4.31Å; I247-F331 HydrophobicContact CG2-CE2 4.05Å; I247-F331 HydrophobicContact CG2-CZ 3.62Å; L248-F331 HydrophobicContact CB-CE2 4.41Å; L303-F331 HydrophobicContact CD1-CE1 4.01Å; L303-F331 HydrophobicContact CD2-CE1 4.14Å; V328-F331 WeakPolarHBondContact O-CZ 3.3Å; F331-L333 PolarHBondContact O-N 3.45Å; F331-L333 VanDerWaalsContact O-N 3.07Å; F331-A334 HydrophobicContact CB-CB 3.84Å; F331-A334 HydrophobicContact CD1-CB 3.71Å; F331-A334 HydrophobicContact CG-CB 4.28Å; F331-A334 WeakPolarHBondContact O-CB 3.09Å; F331-A334 PolarHBondContact O-N 3.33Å |
| 332 | G | 68.6 | Low | 84.1 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -59.2 | -22.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | T231 D330 | T231-G332 WeakPolarHBondContact CG2-O 3.48Å; D330-G332 PolarHBondContact O-N 3.44Å; D330-G332 PolarHBondContact OD1-N 3.49Å |
| 333 | L | 70.6 | Confident | 84.2 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -111.4 | -3.1 | 173.3 | -63.6 | 179.4 | 0 | 0 | 0 | 113.5 | R311 D312 F331 | R311-L333 HydrophobicContact CB-CB 4.16Å; R311-L333 WeakPolarHBondContact CD-O 3.46Å; R311-L333 PolarHBondContact NH1-O 2.92Å; R311-L333 VanDerWaalsContact NH1-O 3.13Å; D312-L333 HydrophobicContact CB-CD1 4.19Å; F331-L333 PolarHBondContact O-N 3.45Å; F331-L333 VanDerWaalsContact O-N 3.07Å |
| 334 | A | 77.3 | Confident | 84.4 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | trans | -67.6 | 147.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I309 F331 | I309-A334 CarbonylContact O-C 3.59Å; I309-A334 WeakPolarHBondContact O-CA 2.93Å; F331-A334 HydrophobicContact CB-CB 3.84Å; F331-A334 HydrophobicContact CD1-CB 3.71Å; F331-A334 HydrophobicContact CG-CB 4.28Å; F331-A334 WeakPolarHBondContact O-CB 3.09Å; F331-A334 PolarHBondContact O-N 3.33Å | ||
| 335 | R | 80.3 | Confident | 84 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 34% | 0.34 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 133 | -172.7 | -166.6 | 69.9 | -179.9 | -160.5 | -1.7 | 111.7 | Y308 I309 Y342 | Y308-R335 WeakPolarHBondContact CA-O 3.45Å; I309-R335 HydrophobicContact CD1-CB 4.33Å; I309-R335 HydrophobicContact CG1-CB 3.95Å; I309-R335 WeakPolarHBondContact CG1-O 3.29Å; I309-R335 PolarHBondContact N-O 2.84Å; I309-R335 PolarHBondContact O-N 3.33Å; R335-Y342 HydrophobicContact CG-CD2 4.46Å; R335-Y342 HydrophobicContact CG-CE1 4.4Å; R335-Y342 HydrophobicContact CG-CE2 4.34Å |
| 336 | L | 81.7 | Confident | 83.4 | Confident | 80 Ų | 80 | 61.6 Ų | 61.6 | 42% | 0.419 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 123.3 | 163.4 | 179.9 | 70.3 | 0 | 0 | 0 | 108.7 | Q306 N307 Y308 | Q306-L336 WeakPolarHBondContact O-CD1 3.46Å; N307-L336 HydrophobicContact CB-CD1 4.13Å; N307-L336 WeakPolarHBondContact O-CA 3.28Å; Y308-L336 HydrophobicContact CD1-CB 4.49Å; Y308-L336 HydrophobicContact CD2-CD1 3.95Å; Y308-L336 HydrophobicContact CE1-CB 4Å; Y308-L336 HydrophobicContact CE2-CB 4.05Å; Y308-L336 HydrophobicContact CE2-CD1 3.7Å; Y308-L336 HydrophobicContact CE2-CG 4.41Å |
| 337 | I | 84 | Confident | 82.3 | Confident | 20 Ų | 20 | 72.9 Ų | 72.9 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | trans | -105 | 143 | 176.8 | 58.9 | 167.9 | 0 | 0 | 0 | 110.2 | N307 I309 E339 Y342 T366 | N307-I337 HydrophobicContact CB-CG1 4.44Å; N307-I337 VanDerWaalsContact O-CG1 3.25Å; N307-I337 WeakPolarHBondContact O-CG1 3.42Å; N307-I337 PolarHBondContact O-N 3.31Å; I309-I337 HydrophobicContact CD1-CG2 3.74Å; I309-I337 HydrophobicContact CG1-CG2 3.9Å; I309-I337 HydrophobicContact CG2-CD1 3.76Å; I309-I337 HydrophobicContact CG2-CG1 4.34Å; I309-I337 HydrophobicContact CG2-CG2 4.3Å; I337-E339 WeakPolarHBondContact CB-O 3.47Å; I337-E339 WeakPolarHBondContact CD1-O 3.24Å; I337-Y342 HydrophobicContact CG2-CG 4.43Å; I337-T366 HydrophobicContact CD1-CG2 4.48Å | ||
| 338 | K | 80.8 | Confident | 81.4 | Confident | 208 Ų | 208 | 76.5 Ų | 76.5 | 90% | 0.904 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -102.1 | -19.3 | 174.7 | -65.4 | -174.9 | 179.6 | -177.5 | 0 | 112.5 | ||
| 339 | E | 84.7 | Confident | 80.8 | Confident | 150 Ų | 150 | 77.9 Ų | 77.9 | 70% | 0.701 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -126.7 | 161.9 | 179.7 | -63.7 | 177.7 | -173.2 | 0 | 0 | 107.5 | I337 V341 | I337-E339 WeakPolarHBondContact CB-O 3.47Å; I337-E339 WeakPolarHBondContact CD1-O 3.24Å; E339-V341 PolarHBondContact O-N 2.88Å; E339-V341 VanDerWaalsContact O-N 3.16Å |
| 340 | D | 84.2 | Confident | 80.8 | Confident | 140 Ų | 140 | 78.7 Ų | 78.7 | 75% | 0.749 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -65 | -22 | -174 | -61.9 | -33.5 | 0 | 0 | 0 | 113.6 | S365 | D340-S365 WeakPolarHBondContact O-CB 3.47Š|
| 341 | V | 87.7 | Confident | 81.4 | Confident | 68 Ų | 68 | 81 Ų | 81 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | trans | -124.3 | 128.7 | -178.6 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | E339 H363 | E339-V341 PolarHBondContact O-N 2.88Å; E339-V341 VanDerWaalsContact O-N 3.16Å; V341-H363 HydrophobicContact CG1-CB 3.78Å | ||
| 342 | Y | 87.7 | Confident | 82.4 | Confident | 58 Ų | 58 | 82 Ų | 82 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.3 | 169.7 | 175.8 | -115.5 | 0 | 0 | 0 | 110.5 | I309 R335 I337 G362 Y364 | I309-Y342 HydrophobicContact CD1-CD1 3.86Å; I309-Y342 HydrophobicContact CD1-CG 4.12Å; R335-Y342 HydrophobicContact CG-CD2 4.46Å; R335-Y342 HydrophobicContact CG-CE1 4.4Å; R335-Y342 HydrophobicContact CG-CE2 4.34Å; I337-Y342 HydrophobicContact CG2-CG 4.43Å; Y342-G362 VanDerWaalsContact O-O 3.07Å; Y342-Y364 PolarHBondContact N-O 3.11Å; Y342-Y364 PolarHBondContact O-N 3.45Å |
| 343 | L | 86.1 | Confident | 83.8 | Confident | 102 Ų | 102 | 83.4 Ų | 83.4 | 53% | 0.534 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 121.6 | 173.5 | -81.8 | 159 | 0 | 0 | 0 | 110.6 | G362 H363 | L343-G362 WeakPolarHBondContact CA-O 3.45Å; L343-H363 WeakPolarHBondContact CD2-CD2 3.21Å |
| 344 | S | 84.9 | Confident | 85.1 | Confident | 8 Ų | 8 | 81.9 Ų | 81.9 | 6% | 0.056 | 38% | 0.382 | C | S | . | . | trans | -127.4 | 145.8 | 172.4 | 171.6 | 0 | 0 | 0 | 0 | 112 | R311 D346 G362 | R311-S344 PolarHBondContact NH2-OG 3.44Å; S344-D346 VanDerWaalsContact OG-CG 3.26Å; S344-D346 PolarHBondContact OG-N 3.34Å; S344-D346 VanDerWaalsContact OG-N 3.16Å; S344-D346 PolarHBondContact OG-OD2 2.89Å; S344-G362 PolarHBondContact N-O 3.44Å; S344-G362 WeakPolarHBondContact O-CA 3.24Å | ||
| 345 | H | 79.9 | Confident | 86 | Confident | 170 Ų | 170 | 81.6 Ų | 81.6 | 79% | 0.787 | 38% | 0.379 | S | S | * | . | trans | -115.6 | 17.8 | 175.6 | -56.2 | -56.9 | 0 | 0 | 0 | 112.4 | ||||
| 346 | D | 76.5 | Confident | 86.8 | Confident | 76 Ų | 76 | 78.1 Ų | 78.1 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | trans | -63.6 | 140.2 | -179.6 | -65.8 | -34.9 | 0 | 0 | 0 | 111.2 | R311 S344 I349 | R311-D346 IonicContact CZ-OD2 3.65Å; R311-D346 IonicContact NH1-OD2 3.69Å; R311-D346 IonicContact NH2-OD2 2.8Å; R311-D346 PolarHBondContact NH2-OD2 2.94Å; S344-D346 VanDerWaalsContact OG-CG 3.26Å; S344-D346 PolarHBondContact OG-N 3.34Å; S344-D346 VanDerWaalsContact OG-N 3.16Å; S344-D346 PolarHBondContact OG-OD2 2.89Å; D346-I349 WeakPolarHBondContact O-CD1 3.35Å; D346-I349 WeakPolarHBondContact O-CG1 3.3Å | ||
| 347 | R | 71.9 | Confident | 87.5 | Confident | 237 Ų | 237 | 75.4 Ų | 75.4 | 89% | 0.894 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -92.1 | -15 | 179.6 | -62.8 | -173.2 | -178.4 | -168 | 1.1 | 113.8 | I349 | R347-I349 PolarHBondContact O-N 3.26Š|
| 348 | N | 76.9 | Confident | 88 | Confident | 91 Ų | 91 | 74.5 Ų | 74.5 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | trans | -91.8 | 84.6 | -179.8 | -161.8 | 13 | 0 | 0 | 0 | 109.5 | ||||
| 349 | I | 85 | Confident | 88.6 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | trans | -115.1 | 133 | -172.6 | -56.9 | 175 | 0 | 0 | 0 | 109.9 | D346 R347 Y351 T354 L359 | D346-I349 WeakPolarHBondContact O-CD1 3.35Å; D346-I349 WeakPolarHBondContact O-CG1 3.3Å; R347-I349 PolarHBondContact O-N 3.26Å; I349-Y351 HydrophobicContact CB-CD2 4.4Å; I349-Y351 HydrophobicContact CB-CE2 4.31Å; I349-Y351 WeakPolarHBondContact O-CD2 3.34Å; I349-Y351 PolarHBondContact O-N 3.32Å; I349-T354 HydrophobicContact CG2-CG2 3.79Å; I349-T354 WeakPolarHBondContact CG2-OG1 3.41Å; I349-L359 HydrophobicContact CG2-CD2 3.73Å | ||
| 350 | P | 91.5 | Very high | 88.9 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | trans | -74.9 | 69 | 173 | 34.2 | -38.4 | 0 | 0 | 0 | 111.2 | D312 K352 W353 T354 | D312-P350 HydrophobicContact CB-CG 4.27Å; D312-P350 VanDerWaalsContact OD1-CB 3.24Å; D312-P350 WeakPolarHBondContact OD1-CB 3.46Å; D312-P350 WeakPolarHBondContact OD1-CG 3.38Å; P350-K352 VanDerWaalsContact C-N 3.28Å; P350-K352 PolarHBondContact O-N 2.85Å; P350-W353 HydrophobicContact CB-CE3 4.34Å; P350-W353 PolarHBondContact O-N 2.96Å; P350-T354 PolarHBondContact O-N 3.07Å; P350-T354 PolarHBondContact O-OG1 3.29Å | ||
| 351 | Y | 93.8 | Very high | 89.3 | Confident | 103 Ų | 103 | 64.3 Ų | 64.3 | 40% | 0.404 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.2 | -45.9 | -166.8 | -86.4 | -91.6 | 0 | 0 | 0 | 116.4 | I349 W353 T354 L359 N393 | I349-Y351 HydrophobicContact CB-CD2 4.4Å; I349-Y351 HydrophobicContact CB-CE2 4.31Å; I349-Y351 WeakPolarHBondContact O-CD2 3.34Å; I349-Y351 PolarHBondContact O-N 3.32Å; Y351-W353 VanDerWaalsContact C-N 3.29Å; Y351-W353 PolarHBondContact O-N 3.49Å; Y351-T354 PolarHBondContact O-N 2.96Å; Y351-L359 HydrophobicContact CD1-CD2 3.58Å; Y351-L359 HydrophobicContact CE1-CD2 3.85Å; Y351-L359 HydrophobicContact CG-CD2 4.22Å; Y351-N393 HydrophobicContact CD1-CB 4.2Å; Y351-N393 HydrophobicContact CD2-CB 4.42Å; Y351-N393 HydrophobicContact CG-CB 3.9Å |
| 352 | K | 96.9 | Very high | 89.6 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 10% | 0.1 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -14.9 | -175.9 | -68.7 | -177.6 | 166.5 | -160.5 | 0 | 114.2 | P350 P387 Y388 M391 | P350-K352 VanDerWaalsContact C-N 3.28Å; P350-K352 PolarHBondContact O-N 2.85Å; K352-P387 HydrophobicContact CB-CB 4.24Å; K352-P387 VanDerWaalsContact CD-O 3.3Å; K352-P387 WeakPolarHBondContact CD-O 3.49Å; K352-P387 PolarHBondContact NZ-O 2.86Å; K352-Y388 HydrophobicContact CB-CD2 4.07Å; K352-Y388 HydrophobicContact CB-CE2 4.42Å; K352-Y388 HydrophobicContact CD-CD2 4.44Å; K352-Y388 HydrophobicContact CG-CD2 4.16Å; K352-Y388 PolarHBondContact NZ-O 2.95Å; K352-Y388 VanDerWaalsContact NZ-O 3.11Å; K352-Y388 WeakPolarHBondContact O-CE2 3.43Å; K352-M391 WeakPolarHBondContact CE-O 3.38Å; K352-M391 PolarHBondContact NZ-O 3.27Å |
| 353 | W | 97.9 | Very high | 90 | Very high | 34 Ų | 34 | 61.6 Ų | 61.6 | 13% | 0.129 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -21.1 | 175.2 | -68.7 | -101.4 | 0 | 0 | 0 | 112 | A314 P350 Y351 W371 S372 V375 E379 P387 | A314-W353 HydrophobicContact CB-CD2 4.23Å; A314-W353 HydrophobicContact CB-CG 4.07Å; P350-W353 HydrophobicContact CB-CE3 4.34Å; P350-W353 PolarHBondContact O-N 2.96Å; Y351-W353 VanDerWaalsContact C-N 3.29Å; Y351-W353 PolarHBondContact O-N 3.49Å; W353-W371 VanDerWaalsContact O-CD1 3.26Å; W353-S372 WeakPolarHBondContact O-CA 3.27Å; W353-S372 PolarHBondContact O-OG 2.94Å; W353-V375 VanDerWaalsContact CD1-CG1 3.46Å; W353-V375 HydrophobicContact CD2-CG1 4.37Å; W353-V375 HydrophobicContact CG-CB 4.41Å; W353-V375 HydrophobicContact CG-CG1 3.94Å; W353-E379 WeakPolarHBondContact CZ2-OE1 3.38Å; W353-E379 VanDerWaalsContact NE1-CD 3.28Å; W353-E379 PolarHBondContact NE1-OE2 3.02Å; W353-P387 HydrophobicContact CH2-CG 4.11Å; W353-P387 HydrophobicContact CZ2-CG 3.58Å |
| 354 | T | 96.9 | Very high | 90.4 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -76.4 | 136.4 | -173.4 | -49.4 | 0 | 0 | 0 | 0 | 112.7 | I349 P350 Y351 A358 L359 Y364 | I349-T354 HydrophobicContact CG2-CG2 3.79Å; I349-T354 WeakPolarHBondContact CG2-OG1 3.41Å; P350-T354 PolarHBondContact O-N 3.07Å; P350-T354 PolarHBondContact O-OG1 3.29Å; Y351-T354 PolarHBondContact O-N 2.96Å; T354-A358 HydrophobicContact CG2-CB 3.54Å; T354-L359 HydrophobicContact CG2-CD2 3.86Å; T354-L359 HydrophobicContact CG2-CG 3.73Å; T354-Y364 HydrophobicContact CG2-CE1 4.14Å |
| 355 | A | 97.6 | Very high | 91 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -64.1 | 151.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E357 A358 L359 W371 | A355-E357 VanDerWaalsContact C-N 3.33Å; A355-E357 WeakPolarHBondContact CB-OE1 3.4Å; A355-E357 WeakPolarHBondContact CB-OE2 3.14Å; A355-E357 PolarHBondContact O-N 3.01Å; A355-A358 HydrophobicContact CB-CB 4.47Å; A355-A358 PolarHBondContact O-N 3.29Å; A355-A358 VanDerWaalsContact O-N 3.1Å; A355-L359 PolarHBondContact O-N 3.31Å; A355-W371 HydrophobicContact CB-CB 3.69Å; A355-W371 HydrophobicContact CB-CD2 4.11Å; A355-W371 HydrophobicContact CB-CG 3.7Å | ||
| 356 | P | 96.2 | Very high | 91.8 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.9 | -37.7 | -176.8 | -25.9 | 35.3 | 0 | 0 | 0 | 114.6 | L359 S360 W371 V400 | P356-L359 PolarHBondContact O-N 2.96Å; P356-S360 WeakPolarHBondContact O-CB 3.46Å; P356-S360 PolarHBondContact O-N 3.29Å; P356-S360 PolarHBondContact O-OG 2.91Å; P356-W371 HydrophobicContact CG-CE3 4.47Å; P356-W371 HydrophobicContact CG-CH2 3.67Å; P356-W371 HydrophobicContact CG-CZ2 4.02Å; P356-W371 HydrophobicContact CG-CZ3 3.92Å; P356-V400 HydrophobicContact CG-CG1 3.8Å |
| 357 | E | 95.9 | Very high | 92.8 | Very high | 23 Ų | 23 | 48.3 Ų | 48.3 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.1 | -33.9 | 177.2 | 70.8 | -74.8 | -179.9 | 0 | 0 | 112.7 | A355 R361 G362 H363 P428 R431 | A355-E357 VanDerWaalsContact C-N 3.33Å; A355-E357 WeakPolarHBondContact CB-OE1 3.4Å; A355-E357 WeakPolarHBondContact CB-OE2 3.14Å; A355-E357 PolarHBondContact O-N 3.01Å; E357-R361 WeakPolarHBondContact O-CB 3.26Å; E357-R361 PolarHBondContact O-N 2.91Å; E357-G362 PolarHBondContact O-N 3.16Å; E357-H363 HydrophobicContact CG-CB 4.39Å; E357-H363 PolarHBondContact O-N 3.11Å; E357-P428 HydrophobicContact CG-CG 4.02Å; E357-R431 IonicContact OE1-CZ 3.29Å; E357-R431 IonicContact OE1-NH1 3.62Å; E357-R431 PolarHBondContact OE1-NH1 3.43Å; E357-R431 IonicContact OE1-NH2 2.82Å; E357-R431 PolarHBondContact OE1-NH2 2.6Å; E357-R431 IonicContact OE2-CZ 3.42Å; E357-R431 IonicContact OE2-NH1 2.69Å; E357-R431 IonicContact OE2-NH2 3.67Å; E357-R431 PolarHBondContact OE2-NH2 3.28Å |
| 358 | A | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.1 | -38.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T354 A355 G362 H363 Y364 | T354-A358 HydrophobicContact CG2-CB 3.54Å; A355-A358 HydrophobicContact CB-CB 4.47Å; A355-A358 PolarHBondContact O-N 3.29Å; A355-A358 VanDerWaalsContact O-N 3.1Å; A358-G362 WeakPolarHBondContact O-CA 3.44Å; A358-G362 PolarHBondContact O-N 3.19Å; A358-H363 WeakPolarHBondContact CA-O 3.43Å; A358-H363 WeakPolarHBondContact CB-O 3.38Å; A358-H363 PolarHBondContact N-O 3.42Å; A358-Y364 HydrophobicContact CB-CD1 3.88Å; A358-Y364 HydrophobicContact CB-CD2 4.4Å; A358-Y364 HydrophobicContact CB-CE1 3.78Å; A358-Y364 HydrophobicContact CB-CE2 4.27Å; A358-Y364 HydrophobicContact CB-CG 4.2Å |
| 359 | L | 93.1 | Very high | 95.1 | Very high | 37 Ų | 37 | 33 Ų | 33 | 19% | 0.194 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.6 | -43.6 | 175.7 | -73.3 | 174 | 0 | 0 | 0 | 113.4 | I349 Y351 T354 A355 P356 F397 | I349-L359 HydrophobicContact CG2-CD2 3.73Å; Y351-L359 HydrophobicContact CD1-CD2 3.58Å; Y351-L359 HydrophobicContact CE1-CD2 3.85Å; Y351-L359 HydrophobicContact CG-CD2 4.22Å; T354-L359 HydrophobicContact CG2-CD2 3.86Å; T354-L359 HydrophobicContact CG2-CG 3.73Å; A355-L359 PolarHBondContact O-N 3.31Å; P356-L359 PolarHBondContact O-N 2.96Å; L359-F397 HydrophobicContact CB-CD2 4.14Å; L359-F397 HydrophobicContact CB-CE2 4.07Å; L359-F397 HydrophobicContact CD1-CD2 3.73Å; L359-F397 HydrophobicContact CD1-CE2 4.44Å |
| 360 | S | 91.9 | Very high | 95.8 | Very high | 73 Ų | 73 | 31.6 Ų | 31.6 | 51% | 0.51 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -84.7 | -33.9 | -172.8 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | P356 | P356-S360 WeakPolarHBondContact O-CB 3.46Å; P356-S360 PolarHBondContact O-N 3.29Å; P356-S360 PolarHBondContact O-OG 2.91Å |
| 361 | R | 92.4 | Very high | 96.1 | Very high | 173 Ų | 173 | 30.9 Ų | 30.9 | 65% | 0.653 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -124 | -4.6 | -172.5 | -56.3 | 176.5 | -166.5 | 176.6 | 2.6 | 113.5 | E357 H363 | E357-R361 WeakPolarHBondContact O-CB 3.26Å; E357-R361 PolarHBondContact O-N 2.91Å; R361-H363 PolarHBondContact O-CD2 3.33Å; R361-H363 PolarHBondContact O-N 2.93Å |
| 362 | G | 93.1 | Very high | 96.3 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 9% | 0.093 | 13% | 0.13 | C | C | . | . | trans | 69.6 | 16.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y342 L343 S344 E357 A358 Y364 | Y342-G362 VanDerWaalsContact O-O 3.07Å; L343-G362 WeakPolarHBondContact CA-O 3.45Å; S344-G362 PolarHBondContact N-O 3.44Å; S344-G362 WeakPolarHBondContact O-CA 3.24Å; E357-G362 PolarHBondContact O-N 3.16Å; A358-G362 WeakPolarHBondContact O-CA 3.44Å; A358-G362 PolarHBondContact O-N 3.19Å; G362-Y364 WeakPolarHBondContact O-CD2 3.49Å; G362-Y364 PolarHBondContact O-N 2.86Å | ||
| 363 | H | 95.5 | Very high | 96.4 | Very high | 61 Ų | 61 | 25 Ų | 25 | 28% | 0.282 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 98 | -180 | -68.8 | 178.3 | 0 | 0 | 0 | 110.7 | V341 L343 E357 A358 R361 | V341-H363 HydrophobicContact CG1-CB 3.78Å; L343-H363 WeakPolarHBondContact CD2-CD2 3.21Å; E357-H363 HydrophobicContact CG-CB 4.39Å; E357-H363 PolarHBondContact O-N 3.11Å; A358-H363 WeakPolarHBondContact CA-O 3.43Å; A358-H363 WeakPolarHBondContact CB-O 3.38Å; A358-H363 PolarHBondContact N-O 3.42Å; R361-H363 PolarHBondContact O-CD2 3.33Å; R361-H363 PolarHBondContact O-N 2.93Å |
| 364 | Y | 95.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 3% | 0.027 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 142.2 | 172.6 | -66.4 | -93.2 | 0 | 0 | 0 | 110.7 | R311 Y342 T354 A358 G362 | R311-Y364 HydrophobicContact CB-CD1 4.1Å; R311-Y364 HydrophobicContact CB-CE1 4.27Å; R311-Y364 HydrophobicContact CG-CD1 3.67Å; R311-Y364 HydrophobicContact CG-CE1 4.3Å; R311-Y364 HydrophobicContact CG-CG 4.09Å; Y342-Y364 PolarHBondContact N-O 3.11Å; Y342-Y364 PolarHBondContact O-N 3.45Å; T354-Y364 HydrophobicContact CG2-CE1 4.14Å; A358-Y364 HydrophobicContact CB-CD1 3.88Å; A358-Y364 HydrophobicContact CB-CD2 4.4Å; A358-Y364 HydrophobicContact CB-CE1 3.78Å; A358-Y364 HydrophobicContact CB-CE2 4.27Å; A358-Y364 HydrophobicContact CB-CG 4.2Å; G362-Y364 WeakPolarHBondContact O-CD2 3.49Å; G362-Y364 PolarHBondContact O-N 2.86Å |
| 365 | S | 96.9 | Very high | 96.6 | Very high | 10 Ų | 10 | 23 Ų | 23 | 7% | 0.07 | 12% | 0.116 | C | C | . | . | trans | -156.6 | 175.1 | 177.1 | 65.3 | 0 | 0 | 0 | 0 | 110 | I309 D340 K367 S368 D369 | I309-S365 VanDerWaalsContact CG2-C 3.47Å; D340-S365 WeakPolarHBondContact O-CB 3.47Å; S365-K367 PolarHBondContact O-N 2.9Å; S365-K367 WeakPolarHBondContact OG-CB 3.35Å; S365-K367 PolarHBondContact OG-N 3.48Å; S365-S368 PolarHBondContact N-OG 3.03Å; S365-S368 WeakPolarHBondContact O-CB 3.38Å; S365-S368 PolarHBondContact O-N 3.49Å; S365-S368 PolarHBondContact O-OG 3.35Å; S365-S368 PolarHBondContact OG-N 2.9Å; S365-D369 PolarHBondContact O-N 3.23Å | ||
| 366 | T | 96.8 | Very high | 96.6 | Very high | 27 Ų | 27 | 23 Ų | 23 | 17% | 0.166 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.4 | -31.9 | 170.6 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | E304 I309 I337 S368 D369 V370 | E304-T366 HydrophobicContact CB-CG2 4.46Å; E304-T366 HydrophobicContact CG-CG2 4.12Å; I309-T366 HydrophobicContact CG2-CG2 4.05Å; I337-T366 HydrophobicContact CD1-CG2 4.48Å; T366-S368 VanDerWaalsContact C-N 3.34Å; T366-S368 PolarHBondContact O-N 3.27Å; T366-D369 WeakPolarHBondContact O-CB 3.48Å; T366-D369 PolarHBondContact O-N 3.15Å; T366-V370 WeakPolarHBondContact O-CG2 3.5Å; T366-V370 PolarHBondContact O-N 3.05Å |
| 367 | K | 98.4 | Very high | 96.7 | Very high | 33 Ų | 33 | 22.2 Ų | 22.2 | 14% | 0.143 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.3 | -29.3 | 174.5 | -56.8 | -59.7 | -167.8 | 172.2 | 0 | 113.4 | S365 V370 W371 P428 R431 | S365-K367 PolarHBondContact O-N 2.9Å; S365-K367 WeakPolarHBondContact OG-CB 3.35Å; S365-K367 PolarHBondContact OG-N 3.48Å; K367-V370 WeakPolarHBondContact O-CB 3.22Å; K367-V370 PolarHBondContact O-N 3.01Å; K367-W371 PolarHBondContact O-N 3.33Å; K367-P428 HydrophobicContact CB-CB 3.82Å; K367-P428 WeakPolarHBondContact CD-O 3.47Å; K367-P428 HydrophobicContact CG-CB 4.32Å; K367-P428 WeakPolarHBondContact CG-O 3.25Å; K367-R431 HydrophobicContact CD-CB 4.36Å; K367-R431 PolarHBondContact NZ-O 3.43Å; K367-R431 WeakPolarHBondContact O-CD 3.47Å; K367-R431 PolarHBondContact O-NH1 3.5Å |
| 368 | S | 98.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -72.2 | -31.3 | 171.8 | 74 | 0 | 0 | 0 | 0 | 111.9 | S365 T366 W371 S372 | S365-S368 PolarHBondContact N-OG 3.03Å; S365-S368 WeakPolarHBondContact O-CB 3.38Å; S365-S368 PolarHBondContact O-N 3.49Å; S365-S368 PolarHBondContact O-OG 3.35Å; S365-S368 PolarHBondContact OG-N 2.9Å; T366-S368 VanDerWaalsContact C-N 3.34Å; T366-S368 PolarHBondContact O-N 3.27Å; S368-W371 WeakPolarHBondContact O-CB 3.33Å; S368-W371 PolarHBondContact O-N 3.25Å; S368-S372 PolarHBondContact O-N 3.37Å; S368-S372 PolarHBondContact O-OG 3.07Å |
| 369 | D | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.011 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.8 | -34.1 | 170.4 | -71.8 | -27.9 | 0 | 0 | 0 | 111.7 | M300 I309 H310 R311 S365 T366 W371 S372 F373 F434 | M300-D369 HydrophobicContact CE-CB 3.87Å; I309-D369 VanDerWaalsContact CA-OD2 3.28Å; I309-D369 WeakPolarHBondContact CA-OD2 3.45Å; H310-D369 PolarHBondContact N-OD2 3.46Å; R311-D369 PolarHBondContact N-OD1 2.82Å; S365-D369 PolarHBondContact O-N 3.23Å; T366-D369 WeakPolarHBondContact O-CB 3.48Å; T366-D369 PolarHBondContact O-N 3.15Å; D369-W371 VanDerWaalsContact C-N 3.29Å; D369-W371 PolarHBondContact O-N 3.43Å; D369-S372 CarbonylContact O-C 3.49Å; D369-S372 WeakPolarHBondContact O-CB 3.24Å; D369-S372 PolarHBondContact O-N 3.27Å; D369-S372 VanDerWaalsContact O-N 3.14Å; D369-F373 PolarHBondContact O-N 3.05Å; D369-F434 HydrophobicContact CB-CE2 3.99Å; D369-F434 HydrophobicContact CB-CZ 4.04Å |
| 370 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 172.4 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | T366 K367 F373 G374 C423 R431 P432 F434 L437 | T366-V370 WeakPolarHBondContact O-CG2 3.5Å; T366-V370 PolarHBondContact O-N 3.05Å; K367-V370 WeakPolarHBondContact O-CB 3.22Å; K367-V370 PolarHBondContact O-N 3.01Å; V370-F373 WeakPolarHBondContact O-CB 3.31Å; V370-F373 PolarHBondContact O-N 3.3Å; V370-G374 PolarHBondContact O-N 2.67Å; V370-C423 HydrophobicContact CG1-CB 4.07Å; V370-C423 WeakPolarHBondContact O-CB 3.39Å; V370-R431 HydrophobicContact CG1-CB 3.84Å; V370-P432 HydrophobicContact CG1-CG 4.41Å; V370-P432 VanDerWaalsContact CG2-O 3.3Å; V370-P432 WeakPolarHBondContact CG2-O 3.31Å; V370-F434 HydrophobicContact CG2-CD2 4.04Å; V370-F434 HydrophobicContact CG2-CE1 4.47Å; V370-F434 HydrophobicContact CG2-CE2 3.72Å; V370-F434 HydrophobicContact CG2-CZ 3.96Å; V370-L437 HydrophobicContact CG1-CD1 4.06Å; V370-L437 HydrophobicContact CG2-CD1 4.27Å |
| 371 | W | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 1% | 0.011 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 172.7 | 178.6 | -74.4 | 0 | 0 | 0 | 111.3 | W353 A355 P356 K367 S368 D369 F373 G374 V375 V400 W424 | W353-W371 VanDerWaalsContact O-CD1 3.26Å; A355-W371 HydrophobicContact CB-CB 3.69Å; A355-W371 HydrophobicContact CB-CD2 4.11Å; A355-W371 HydrophobicContact CB-CG 3.7Å; P356-W371 HydrophobicContact CG-CE3 4.47Å; P356-W371 HydrophobicContact CG-CH2 3.67Å; P356-W371 HydrophobicContact CG-CZ2 4.02Å; P356-W371 HydrophobicContact CG-CZ3 3.92Å; K367-W371 PolarHBondContact O-N 3.33Å; S368-W371 WeakPolarHBondContact O-CB 3.33Å; S368-W371 PolarHBondContact O-N 3.25Å; D369-W371 VanDerWaalsContact C-N 3.29Å; D369-W371 PolarHBondContact O-N 3.43Å; W371-F373 VanDerWaalsContact C-N 3.26Å; W371-F373 PolarHBondContact O-N 3.18Å; W371-G374 WeakPolarHBondContact O-CA 3.37Å; W371-G374 PolarHBondContact O-N 3.1Å; W371-V375 PolarHBondContact O-N 3.39Å; W371-V375 VanDerWaalsContact O-N 3.15Å; W371-V400 HydrophobicContact CH2-CG1 3.54Å; W371-V400 HydrophobicContact CZ2-CG1 3.53Å; W371-W424 AromaticContact CD2-CD1 3.72Å; W371-W424 AromaticContact CE2-CD1 3.74Å; W371-W424 HydrophobicContact CE3-CB 4.15Å; W371-W424 HydrophobicContact CH2-CB 4.01Å; W371-W424 HydrophobicContact CH2-CG 4.49Å; W371-W424 HydrophobicContact CZ2-CB 4.44Å; W371-W424 HydrophobicContact CZ2-CG 4.45Å; W371-W424 HydrophobicContact CZ3-CB 3.86Å; W371-W424 WeakPolarHBondContact CZ3-O 3.48Å; W371-W424 PolarHBondContact O-NE1 2.95Å |
| 372 | S | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 8.8 Ų | 8.8 | 3% | 0.028 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.1 | -39.2 | 178.3 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | W353 S368 D369 G374 V375 L376 | W353-S372 WeakPolarHBondContact O-CA 3.27Å; W353-S372 PolarHBondContact O-OG 2.94Å; S368-S372 PolarHBondContact O-N 3.37Å; S368-S372 PolarHBondContact O-OG 3.07Å; D369-S372 CarbonylContact O-C 3.49Å; D369-S372 WeakPolarHBondContact O-CB 3.24Å; D369-S372 PolarHBondContact O-N 3.27Å; D369-S372 VanDerWaalsContact O-N 3.14Å; S372-G374 VanDerWaalsContact C-N 3.34Å; S372-G374 PolarHBondContact O-N 2.84Å; S372-V375 WeakPolarHBondContact O-CB 3.47Å; S372-V375 PolarHBondContact O-N 3.14Å; S372-V375 VanDerWaalsContact O-N 3.11Å; S372-L376 PolarHBondContact O-N 2.95Å |
| 373 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.9 | -39 | 173.1 | -176.3 | -103.5 | 0 | 0 | 0 | 112.3 | V296 A297 L313 D369 V370 W371 V375 L376 L377 F434 L437 L441 | V296-F373 HydrophobicContact CB-CE2 4.2Å; V296-F373 HydrophobicContact CG1-CD2 4.18Å; V296-F373 HydrophobicContact CG1-CE2 3.98Å; A297-F373 HydrophobicContact CB-CE1 4.49Å; A297-F373 HydrophobicContact CB-CE2 4.11Å; A297-F373 HydrophobicContact CB-CZ 3.75Å; L313-F373 HydrophobicContact CD2-CB 3.78Å; L313-F373 HydrophobicContact CD2-CD2 4.08Å; L313-F373 HydrophobicContact CD2-CG 4.45Å; D369-F373 PolarHBondContact O-N 3.05Å; V370-F373 WeakPolarHBondContact O-CB 3.31Å; V370-F373 PolarHBondContact O-N 3.3Å; W371-F373 VanDerWaalsContact C-N 3.26Å; W371-F373 PolarHBondContact O-N 3.18Å; F373-V375 VanDerWaalsContact C-N 3.3Å; F373-V375 PolarHBondContact O-N 2.91Å; F373-L376 HydrophobicContact CD2-CD2 4.14Å; F373-L376 HydrophobicContact CE2-CD2 4.45Å; F373-L376 WeakPolarHBondContact O-CB 3.43Å; F373-L376 PolarHBondContact O-N 3.46Å; F373-L377 HydrophobicContact CD1-CD1 4.03Å; F373-L377 HydrophobicContact CD1-CG 4.09Å; F373-L377 HydrophobicContact CE1-CD1 3.66Å; F373-L377 HydrophobicContact CE1-CD2 3.92Å; F373-L377 HydrophobicContact CE1-CG 3.74Å; F373-L377 HydrophobicContact CE2-CD2 4.49Å; F373-L377 HydrophobicContact CZ-CD1 4.39Å; F373-L377 HydrophobicContact CZ-CD2 3.79Å; F373-L377 HydrophobicContact CZ-CG 4.05Å; F373-L377 WeakPolarHBondContact O-CG 3.11Å; F373-L377 PolarHBondContact O-N 3.06Å; F373-F434 HydrophobicContact CB-CE1 3.75Å; F373-F434 HydrophobicContact CB-CZ 4.12Å; F373-F434 HydrophobicContact CD1-CE1 4.35Å; F373-F434 HydrophobicContact CD2-CE1 4.06Å; F373-F434 AromaticContact CG-CE1 3.8Å; F373-F434 HydrophobicContact CG-CE1 3.8Å; F373-L437 HydrophobicContact CD1-CD1 3.74Å; F373-L437 HydrophobicContact CE1-CB 4.39Å; F373-L437 HydrophobicContact CE1-CD1 4.1Å; F373-L441 HydrophobicContact CE1-CD1 4.1Å; F373-L441 HydrophobicContact CZ-CD1 3.75Å |
| 374 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -58.9 | -41.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V370 W371 S372 L377 H378 W424 | V370-G374 PolarHBondContact O-N 2.67Å; W371-G374 WeakPolarHBondContact O-CA 3.37Å; W371-G374 PolarHBondContact O-N 3.1Å; S372-G374 VanDerWaalsContact C-N 3.34Å; S372-G374 PolarHBondContact O-N 2.84Å; G374-L377 PolarHBondContact O-N 3.44Å; G374-H378 PolarHBondContact O-N 3.46Å; G374-H378 VanDerWaalsContact O-N 3.14Å; G374-W424 WeakPolarHBondContact O-CZ2 3.21Å |
| 375 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.8 | -42.1 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | W353 W371 S372 F373 L377 H378 E379 P387 M406 W424 | W353-V375 VanDerWaalsContact CD1-CG1 3.46Å; W353-V375 HydrophobicContact CD2-CG1 4.37Å; W353-V375 HydrophobicContact CG-CB 4.41Å; W353-V375 HydrophobicContact CG-CG1 3.94Å; W371-V375 PolarHBondContact O-N 3.39Å; W371-V375 VanDerWaalsContact O-N 3.15Å; S372-V375 WeakPolarHBondContact O-CB 3.47Å; S372-V375 PolarHBondContact O-N 3.14Å; S372-V375 VanDerWaalsContact O-N 3.11Å; F373-V375 VanDerWaalsContact C-N 3.3Å; F373-V375 PolarHBondContact O-N 2.91Å; V375-L377 PolarHBondContact O-N 3.28Å; V375-H378 WeakPolarHBondContact O-CA 3.18Å; V375-H378 VanDerWaalsContact O-CB 3.31Å; V375-H378 WeakPolarHBondContact O-CB 3.46Å; V375-H378 PolarHBondContact O-N 2.89Å; V375-H378 VanDerWaalsContact O-N 3.08Å; V375-E379 PolarHBondContact O-N 2.94Å; V375-P387 HydrophobicContact CG1-CB 3.84Å; V375-P387 HydrophobicContact CG1-CG 3.54Å; V375-M406 HydrophobicContact CG1-CE 4.38Å; V375-W424 HydrophobicContact CG2-CZ2 4.34Å |
| 376 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.8 | -42.7 | 173.8 | 171.1 | 63.8 | 0 | 0 | 0 | 112.2 | L272 V296 L313 A315 I318 S372 F373 H378 E379 I380 | L272-L376 HydrophobicContact CD2-CD1 4.36Å; V296-L376 HydrophobicContact CB-CD2 4.35Å; V296-L376 HydrophobicContact CG1-CD2 3.63Å; V296-L376 HydrophobicContact CG2-CD2 4.44Å; L313-L376 HydrophobicContact CD1-CD2 4.21Å; L313-L376 HydrophobicContact CG-CD2 4.19Å; A315-L376 HydrophobicContact CB-CD1 3.76Å; I318-L376 HydrophobicContact CD1-CD2 4.3Å; I318-L376 HydrophobicContact CG1-CD1 4.28Å; I318-L376 HydrophobicContact CG1-CD2 4.1Å; S372-L376 PolarHBondContact O-N 2.95Å; F373-L376 HydrophobicContact CD2-CD2 4.14Å; F373-L376 HydrophobicContact CE2-CD2 4.45Å; F373-L376 WeakPolarHBondContact O-CB 3.43Å; F373-L376 PolarHBondContact O-N 3.46Å; L376-H378 VanDerWaalsContact C-N 3.26Å; L376-H378 PolarHBondContact O-N 3.24Å; L376-E379 WeakPolarHBondContact O-CB 3.28Å; L376-E379 PolarHBondContact O-N 3.4Å; L376-E379 VanDerWaalsContact O-N 3.11Å; L376-I380 HydrophobicContact CD1-CD1 4.12Å; L376-I380 HydrophobicContact CD1-CG1 4.18Å; L376-I380 HydrophobicContact CG-CD1 3.96Å; L376-I380 HydrophobicContact CG-CG1 4.46Å; L376-I380 WeakPolarHBondContact O-CG1 3.37Å; L376-I380 PolarHBondContact O-N 3.27Å |
| 377 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.7 | -43.4 | 173.4 | -72 | 179.5 | 0 | 0 | 0 | 110.3 | A293 F373 G374 V375 E379 I380 F381 L419 M420 L441 | A293-L377 HydrophobicContact CB-CD2 3.53Å; F373-L377 HydrophobicContact CD1-CD1 4.03Å; F373-L377 HydrophobicContact CD1-CG 4.09Å; F373-L377 HydrophobicContact CE1-CD1 3.66Å; F373-L377 HydrophobicContact CE1-CD2 3.92Å; F373-L377 HydrophobicContact CE1-CG 3.74Å; F373-L377 HydrophobicContact CE2-CD2 4.49Å; F373-L377 HydrophobicContact CZ-CD1 4.39Å; F373-L377 HydrophobicContact CZ-CD2 3.79Å; F373-L377 HydrophobicContact CZ-CG 4.05Å; F373-L377 WeakPolarHBondContact O-CG 3.11Å; F373-L377 PolarHBondContact O-N 3.06Å; G374-L377 PolarHBondContact O-N 3.44Å; V375-L377 PolarHBondContact O-N 3.28Å; L377-E379 PolarHBondContact O-N 2.97Å; L377-I380 PolarHBondContact O-N 2.95Å; L377-F381 HydrophobicContact CD2-CE2 4.44Å; L377-F381 VanDerWaalsContact O-CD2 3.27Å; L377-F381 WeakPolarHBondContact O-CD2 3.35Å; L377-F381 PolarHBondContact O-N 2.89Å; L377-L419 HydrophobicContact CD1-CD2 4.33Å; L377-M420 HydrophobicContact CB-CE 3.93Å; L377-M420 HydrophobicContact CB-CG 3.79Å; L377-M420 HydrophobicContact CB-SD 4.33Å; L377-M420 HydrophobicContact CD1-CG 4.03Å; L377-L441 HydrophobicContact CD2-CD2 4.47Å |
| 378 | H | 98.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 14.1 Ų | 14.1 | 5% | 0.046 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 174.1 | -176.9 | -74.6 | 0 | 0 | 0 | 111.4 | G374 V375 L376 I380 F381 S382 M406 M420 W424 | G374-H378 PolarHBondContact O-N 3.46Å; G374-H378 VanDerWaalsContact O-N 3.14Å; V375-H378 WeakPolarHBondContact O-CA 3.18Å; V375-H378 VanDerWaalsContact O-CB 3.31Å; V375-H378 WeakPolarHBondContact O-CB 3.46Å; V375-H378 PolarHBondContact O-N 2.89Å; V375-H378 VanDerWaalsContact O-N 3.08Å; L376-H378 VanDerWaalsContact C-N 3.26Å; L376-H378 PolarHBondContact O-N 3.24Å; H378-I380 PolarHBondContact O-N 3.26Å; H378-F381 PolarHBondContact O-N 3.06Å; H378-S382 PolarHBondContact ND1-OG 3.29Å; H378-S382 WeakPolarHBondContact O-CB 3.11Å; H378-S382 PolarHBondContact O-N 3.4Å; H378-S382 PolarHBondContact O-OG 2.84Å; H378-M406 HydrophobicContact CB-CE 3.88Å; H378-M420 HydrophobicContact CB-SD 4.13Å; H378-W424 HydrophobicContact CB-CH2 4.14Å; H378-W424 HydrophobicContact CB-CZ2 4.23Å |
| 379 | E | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 18 Ų | 18 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.1 | -47.5 | 175.1 | -65.7 | -179.3 | 99.5 | 0 | 0 | 111.9 | A315 W353 V375 L376 L377 F381 S382 R383 G384 P387 | A315-E379 HydrophobicContact CB-CB 4.07Å; A315-E379 HydrophobicContact CB-CG 4.49Å; A315-E379 PolarHBondContact N-OE2 3.16Å; W353-E379 WeakPolarHBondContact CZ2-OE1 3.38Å; W353-E379 VanDerWaalsContact NE1-CD 3.28Å; W353-E379 PolarHBondContact NE1-OE2 3.02Å; V375-E379 PolarHBondContact O-N 2.94Å; L376-E379 WeakPolarHBondContact O-CB 3.28Å; L376-E379 PolarHBondContact O-N 3.4Å; L376-E379 VanDerWaalsContact O-N 3.11Å; L377-E379 PolarHBondContact O-N 2.97Å; E379-F381 PolarHBondContact O-N 3.31Å; E379-S382 PolarHBondContact O-N 2.99Å; E379-S382 PolarHBondContact O-OG 2.95Å; E379-R383 PolarHBondContact O-N 3.13Å; E379-R383 VanDerWaalsContact O-N 3.13Å; E379-G384 PolarHBondContact O-N 2.82Å; E379-P387 HydrophobicContact CG-CG 4.08Å |
| 380 | I | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.8 | -52.4 | 179.1 | -70.2 | 167.7 | 0 | 0 | 0 | 110.9 | L272 L276 L289 I292 A293 L376 L377 H378 R383 | L272-I380 HydrophobicContact CD2-CD1 4.25Å; L272-I380 HydrophobicContact CD2-CG1 3.98Å; L276-I380 HydrophobicContact CD1-CG1 4.47Å; L289-I380 HydrophobicContact CB-CG2 3.77Å; L289-I380 HydrophobicContact CD2-CG2 4.02Å; L289-I380 HydrophobicContact CG-CG2 4.36Å; I292-I380 HydrophobicContact CG2-CD1 4.11Å; A293-I380 HydrophobicContact CB-CD1 4.12Å; L376-I380 HydrophobicContact CD1-CD1 4.12Å; L376-I380 HydrophobicContact CD1-CG1 4.18Å; L376-I380 HydrophobicContact CG-CD1 3.96Å; L376-I380 HydrophobicContact CG-CG1 4.46Å; L376-I380 WeakPolarHBondContact O-CG1 3.37Å; L376-I380 PolarHBondContact O-N 3.27Å; L377-I380 PolarHBondContact O-N 2.95Å; H378-I380 PolarHBondContact O-N 3.26Å; I380-R383 PolarHBondContact O-N 3.16Å |
| 381 | F | 96.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 2% | 0.022 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -83.8 | -10.6 | -174.3 | -73.1 | -82.7 | 0 | 0 | 0 | 114.2 | V286 L289 L290 L377 H378 E379 P409 C412 V416 M420 | V286-F381 HydrophobicContact CG1-CE1 4.28Å; L289-F381 HydrophobicContact CB-CD1 4.46Å; L289-F381 HydrophobicContact CB-CE1 3.96Å; L289-F381 HydrophobicContact CB-CZ 4.12Å; L289-F381 HydrophobicContact CD1-CD1 4.23Å; L289-F381 HydrophobicContact CD1-CE1 4.45Å; L290-F381 HydrophobicContact CD2-CZ 3.87Å; L290-F381 HydrophobicContact CG-CE1 4.46Å; L290-F381 HydrophobicContact CG-CZ 4.01Å; L377-F381 HydrophobicContact CD2-CE2 4.44Å; L377-F381 VanDerWaalsContact O-CD2 3.27Å; L377-F381 WeakPolarHBondContact O-CD2 3.35Å; L377-F381 PolarHBondContact O-N 2.89Å; H378-F381 PolarHBondContact O-N 3.06Å; E379-F381 PolarHBondContact O-N 3.31Å; F381-P409 HydrophobicContact CB-CG 4.31Å; F381-P409 WeakPolarHBondContact O-CB 3.46Å; F381-C412 HydrophobicContact CB-CB 3.86Å; F381-C412 HydrophobicContact CD1-CB 4.33Å; F381-C412 HydrophobicContact CG-CB 4.29Å; F381-V416 HydrophobicContact CD2-CG1 3.8Å; F381-V416 HydrophobicContact CE2-CG1 3.5Å; F381-V416 VanDerWaalsContact CE2-CG1 3.5Å; F381-V416 HydrophobicContact CG-CG1 4.48Å; F381-V416 HydrophobicContact CZ-CG1 3.9Å; F381-V416 HydrophobicContact CZ-CG2 4.21Å; F381-M420 HydrophobicContact CB-CE 4.12Å; F381-M420 HydrophobicContact CD2-CE 3.93Å; F381-M420 HydrophobicContact CG-CE 4.29Å |
| 382 | S | 95.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 9.5 | 170.4 | 65.9 | 0 | 0 | 0 | 0 | 113 | H378 E379 G384 Q385 | H378-S382 PolarHBondContact ND1-OG 3.29Å; H378-S382 WeakPolarHBondContact O-CB 3.11Å; H378-S382 PolarHBondContact O-N 3.4Å; H378-S382 PolarHBondContact O-OG 2.84Å; E379-S382 PolarHBondContact O-N 2.99Å; E379-S382 PolarHBondContact O-OG 2.95Å; S382-G384 PolarHBondContact O-N 3.5Å; S382-Q385 VanDerWaalsContact O-CG 3.28Å; S382-Q385 WeakPolarHBondContact O-CG 3.39Å; S382-Q385 PolarHBondContact O-N 3.01Å |
| 383 | R | 95.1 | Very high | 97 | Very high | 67 Ų | 67 | 29.9 Ų | 29.9 | 25% | 0.253 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 45.8 | 178.3 | -52.4 | -177.8 | 171.4 | -74.9 | -4.4 | 112.5 | V283 E379 I380 Q385 E411 | V283-R383 VanDerWaalsContact CG1-CZ 3.44Å; V283-R383 VanDerWaalsContact CG1-NH1 3.33Å; E379-R383 PolarHBondContact O-N 3.13Å; E379-R383 VanDerWaalsContact O-N 3.13Å; I380-R383 PolarHBondContact O-N 3.16Å; R383-Q385 VanDerWaalsContact C-N 3.33Å; R383-Q385 PolarHBondContact O-N 3.34Å; R383-E411 IonicContact CZ-OE2 3.44Å; R383-E411 IonicContact NE-OE2 3.44Å; R383-E411 PolarHBondContact NE-OE2 2.86Å; R383-E411 IonicContact NH2-OE1 3.14Å; R383-E411 IonicContact NH2-OE2 2.74Å; R383-E411 PolarHBondContact NH2-OE2 3.29Å |
| 384 | G | 95.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 73.9 | 19.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R277 E379 S382 | R277-G384 VanDerWaalsContact CZ-O 3.22Å; R277-G384 PolarHBondContact NE-O 2.93Å; R277-G384 PolarHBondContact NH2-O 3.19Å; E379-G384 PolarHBondContact O-N 2.82Å; S382-G384 PolarHBondContact O-N 3.5Å |
| 385 | Q | 95.5 | Very high | 96.6 | Very high | 114 Ų | 114 | 39.2 Ų | 39.2 | 53% | 0.533 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -59.5 | 143.2 | 171.1 | -76.7 | 177.1 | 12.7 | 0 | 0 | 110.7 | S382 R383 | S382-Q385 VanDerWaalsContact O-CG 3.28Å; S382-Q385 WeakPolarHBondContact O-CG 3.39Å; S382-Q385 PolarHBondContact O-N 3.01Å; R383-Q385 VanDerWaalsContact C-N 3.33Å; R383-Q385 PolarHBondContact O-N 3.34Å |
| 386 | V | 95.1 | Very high | 96.4 | Very high | 74 Ų | 74 | 39.4 Ų | 39.4 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -62.6 | 129.5 | 176.4 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 387 | P | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -56.9 | 145.8 | 175.8 | -26.6 | 35.3 | 0 | 0 | 0 | 112.1 | K352 W353 V375 E379 M406 | K352-P387 HydrophobicContact CB-CB 4.24Å; K352-P387 VanDerWaalsContact CD-O 3.3Å; K352-P387 WeakPolarHBondContact CD-O 3.49Å; K352-P387 PolarHBondContact NZ-O 2.86Å; W353-P387 HydrophobicContact CH2-CG 4.11Å; W353-P387 HydrophobicContact CZ2-CG 3.58Å; V375-P387 HydrophobicContact CG1-CB 3.84Å; V375-P387 HydrophobicContact CG1-CG 3.54Å; E379-P387 HydrophobicContact CG-CG 4.08Å; P387-M406 HydrophobicContact CB-CE 4.32Å; P387-M406 HydrophobicContact CB-SD 4.1Å |
| 388 | Y | 97.3 | Very high | 96 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 50.1 | 62.3 | -178.8 | -49.4 | -84.3 | 0 | 0 | 0 | 111.8 | K352 G390 M391 A396 V400 Y404 M406 | K352-Y388 HydrophobicContact CB-CD2 4.07Å; K352-Y388 HydrophobicContact CB-CE2 4.42Å; K352-Y388 HydrophobicContact CD-CD2 4.44Å; K352-Y388 HydrophobicContact CG-CD2 4.16Å; K352-Y388 PolarHBondContact NZ-O 2.95Å; K352-Y388 VanDerWaalsContact NZ-O 3.11Å; K352-Y388 WeakPolarHBondContact O-CE2 3.43Å; Y388-G390 PolarHBondContact O-N 3.38Å; Y388-M391 HydrophobicContact CD1-SD 4.33Å; Y388-M391 PolarHBondContact O-N 3.05Å; Y388-M391 VanDerWaalsContact O-N 3.16Å; Y388-A396 HydrophobicContact CD1-CB 4.42Å; Y388-A396 HydrophobicContact CD2-CB 4.28Å; Y388-A396 HydrophobicContact CG-CB 4Å; Y388-V400 HydrophobicContact CD1-CG2 4.47Å; Y388-V400 HydrophobicContact CE1-CG2 3.57Å; Y388-Y404 HydrophobicContact CD1-CD1 4.29Å; Y388-Y404 AromaticContact CD1-CE1 3.78Å; Y388-Y404 HydrophobicContact CD1-CE1 3.78Å; Y388-Y404 HydrophobicContact CE1-CD1 4.18Å; Y388-Y404 AromaticContact CE1-CE1 3.93Å; Y388-Y404 HydrophobicContact CE1-CE1 3.93Å; Y388-M406 HydrophobicContact CD1-CG 3.76Å; Y388-M406 HydrophobicContact CD1-SD 4.12Å; Y388-M406 HydrophobicContact CD2-SD 4.17Å; Y388-M406 HydrophobicContact CE1-CE 4.46Å; Y388-M406 HydrophobicContact CE1-CG 3.63Å; Y388-M406 HydrophobicContact CE1-SD 4.13Å; Y388-M406 HydrophobicContact CE2-CE 4.11Å; Y388-M406 HydrophobicContact CE2-SD 4.17Å; Y388-M406 HydrophobicContact CG-CG 4.36Å; Y388-M406 HydrophobicContact CG-SD 4.13Å; Y388-M406 PolarHBondContact N-SD 2.74Å |
| 389 | P | 95.3 | Very high | 96 | Very high | 85 Ų | 85 | 51.2 Ų | 51.2 | 55% | 0.552 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 137.6 | -175.4 | 25.6 | -34.4 | 0 | 0 | 0 | 110.8 | M391 | P389-M391 PolarHBondContact O-N 3.23Š|
| 390 | G | 95.4 | Very high | 95.9 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 91% | 0.907 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -6.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y388 | Y388-G390 PolarHBondContact O-N 3.38Š|
| 391 | M | 97.1 | Very high | 95.7 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | trans | -100.4 | 138.5 | 179.3 | -58.1 | 177.2 | -169 | 0 | 0 | 111.7 | K352 Y388 P389 E395 A396 R399 Y404 | K352-M391 WeakPolarHBondContact CE-O 3.38Å; K352-M391 PolarHBondContact NZ-O 3.27Å; Y388-M391 HydrophobicContact CD1-SD 4.33Å; Y388-M391 PolarHBondContact O-N 3.05Å; Y388-M391 VanDerWaalsContact O-N 3.16Å; P389-M391 PolarHBondContact O-N 3.23Å; M391-E395 HydrophobicContact CB-CB 4.35Å; M391-E395 HydrophobicContact CB-CG 4.41Å; M391-E395 HydrophobicContact CG-CG 4.4Å; M391-A396 HydrophobicContact CB-CB 4.26Å; M391-R399 VanDerWaalsContact SD-CD 3.56Å; M391-Y404 HydrophobicContact CE-CE1 4.18Å | ||
| 392 | S | 96.8 | Very high | 95.7 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | trans | -68.5 | 164.9 | 165.4 | 71.7 | 0 | 0 | 0 | 0 | 111.2 | H394 E395 A396 | S392-H394 VanDerWaalsContact C-N 3.27Å; S392-H394 PolarHBondContact O-N 3.4Å; S392-E395 PolarHBondContact O-N 3.13Å; S392-E395 WeakPolarHBondContact OG-CB 3.42Å; S392-E395 PolarHBondContact OG-N 2.96Å; S392-E395 VanDerWaalsContact OG-N 3.16Å; S392-A396 WeakPolarHBondContact O-CB 3.43Å; S392-A396 PolarHBondContact O-N 3.04Å | ||
| 393 | N | 94.8 | Very high | 95.7 | Very high | 76 Ų | 76 | 60.7 Ų | 60.7 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.5 | -41.6 | 176.4 | -71.4 | -7.5 | 0 | 0 | 0 | 112.1 | Y351 F397 | Y351-N393 HydrophobicContact CD1-CB 4.2Å; Y351-N393 HydrophobicContact CD2-CB 4.42Å; Y351-N393 HydrophobicContact CG-CB 3.9Å; N393-F397 PolarHBondContact O-N 3.2Å; N393-F397 VanDerWaalsContact O-N 3.13Å |
| 394 | H | 92.9 | Very high | 95.8 | Very high | 130 Ų | 130 | 61 Ų | 61 | 60% | 0.602 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.9 | -44 | 179.3 | -175.5 | 65.6 | 0 | 0 | 0 | 112 | S392 F397 L398 | S392-H394 VanDerWaalsContact C-N 3.27Å; S392-H394 PolarHBondContact O-N 3.4Å; H394-F397 PolarHBondContact O-N 3.41Å; H394-L398 WeakPolarHBondContact NE2-CD1 3.44Å; H394-L398 WeakPolarHBondContact O-CG 3.41Å; H394-L398 PolarHBondContact O-N 3.31Å; H394-L398 VanDerWaalsContact O-N 3.09Å |
| 395 | E | 96.3 | Very high | 95.9 | Very high | 67 Ų | 67 | 63.4 Ų | 63.4 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.4 | -175.1 | -175.6 | 177.5 | 0 | 0 | 111.9 | M391 S392 F397 L398 R399 | M391-E395 HydrophobicContact CB-CB 4.35Å; M391-E395 HydrophobicContact CB-CG 4.41Å; M391-E395 HydrophobicContact CG-CG 4.4Å; S392-E395 PolarHBondContact O-N 3.13Å; S392-E395 WeakPolarHBondContact OG-CB 3.42Å; S392-E395 PolarHBondContact OG-N 2.96Å; S392-E395 VanDerWaalsContact OG-N 3.16Å; E395-F397 VanDerWaalsContact C-N 3.3Å; E395-F397 PolarHBondContact O-N 3.39Å; E395-L398 PolarHBondContact O-N 2.93Å; E395-R399 HydrophobicContact CG-CG 4.41Å; E395-R399 PolarHBondContact O-N 3.46Å; E395-R399 IonicContact OE1-CZ 3.06Å; E395-R399 IonicContact OE1-NE 2.94Å; E395-R399 PolarHBondContact OE1-NE 2.96Å; E395-R399 IonicContact OE1-NH2 3.42Å; E395-R399 PolarHBondContact OE1-NH2 3.35Å |
| 396 | A | 95.9 | Very high | 96 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.033 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | Y388 M391 S392 R399 V400 | Y388-A396 HydrophobicContact CD1-CB 4.42Å; Y388-A396 HydrophobicContact CD2-CB 4.28Å; Y388-A396 HydrophobicContact CG-CB 4Å; M391-A396 HydrophobicContact CB-CB 4.26Å; S392-A396 WeakPolarHBondContact O-CB 3.43Å; S392-A396 PolarHBondContact O-N 3.04Å; A396-R399 PolarHBondContact O-N 3.03Å; A396-V400 WeakPolarHBondContact O-CB 3.43Å; A396-V400 WeakPolarHBondContact O-CG2 3.33Å; A396-V400 PolarHBondContact O-N 3.14Å |
| 397 | F | 93.7 | Very high | 96.1 | Very high | 55 Ų | 55 | 58.7 Ų | 58.7 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.4 | -52.5 | 175.3 | 170.1 | -103.9 | 0 | 0 | 0 | 112.2 | L359 N393 H394 E395 R399 V400 D401 | L359-F397 HydrophobicContact CB-CD2 4.14Å; L359-F397 HydrophobicContact CB-CE2 4.07Å; L359-F397 HydrophobicContact CD1-CD2 3.73Å; L359-F397 HydrophobicContact CD1-CE2 4.44Å; N393-F397 PolarHBondContact O-N 3.2Å; N393-F397 VanDerWaalsContact O-N 3.13Å; H394-F397 PolarHBondContact O-N 3.41Å; E395-F397 VanDerWaalsContact C-N 3.3Å; E395-F397 PolarHBondContact O-N 3.39Å; F397-R399 PolarHBondContact O-N 2.78Å; F397-V400 PolarHBondContact O-N 3.22Å; F397-D401 PolarHBondContact O-N 3.17Å |
| 398 | L | 95.3 | Very high | 96.1 | Very high | 89 Ų | 89 | 61.3 Ų | 61.3 | 47% | 0.466 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | -178.5 | -70.2 | 178.7 | 0 | 0 | 0 | 112.3 | H394 E395 D401 A402 | H394-L398 WeakPolarHBondContact NE2-CD1 3.44Å; H394-L398 WeakPolarHBondContact O-CG 3.41Å; H394-L398 PolarHBondContact O-N 3.31Å; H394-L398 VanDerWaalsContact O-N 3.09Å; E395-L398 PolarHBondContact O-N 2.93Å; L398-D401 PolarHBondContact O-N 3.24Å; L398-A402 WeakPolarHBondContact O-CB 3.21Å; L398-A402 PolarHBondContact O-N 3.06Å |
| 399 | R | 97.1 | Very high | 96.1 | Very high | 113 Ų | 113 | 61.8 Ų | 61.8 | 43% | 0.426 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 177.9 | -75.4 | -176.6 | 175.1 | -118.9 | 2 | 111.6 | M391 E395 A396 F397 D401 A402 G403 Y404 | M391-R399 VanDerWaalsContact SD-CD 3.56Å; E395-R399 HydrophobicContact CG-CG 4.41Å; E395-R399 PolarHBondContact O-N 3.46Å; E395-R399 IonicContact OE1-CZ 3.06Å; E395-R399 IonicContact OE1-NE 2.94Å; E395-R399 PolarHBondContact OE1-NE 2.96Å; E395-R399 IonicContact OE1-NH2 3.42Å; E395-R399 PolarHBondContact OE1-NH2 3.35Å; A396-R399 PolarHBondContact O-N 3.03Å; F397-R399 PolarHBondContact O-N 2.78Å; R399-D401 VanDerWaalsContact C-N 3.33Å; R399-D401 PolarHBondContact O-N 3.08Å; R399-A402 CarbonylContact O-C 3.58Å; R399-A402 PolarHBondContact O-N 3.23Å; R399-G403 PolarHBondContact O-N 3.39Å; R399-Y404 HydrophobicContact CB-CD1 4.31Å; R399-Y404 HydrophobicContact CB-CG 4.25Å; R399-Y404 WeakPolarHBondContact O-CB 3.49Å; R399-Y404 PolarHBondContact O-N 3.46Å |
| 400 | V | 96.7 | Very high | 95.7 | Very high | 11 Ų | 11 | 66.2 Ų | 66.2 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 178.6 | 166.2 | 0 | 0 | 0 | 0 | 111.3 | P356 W371 Y388 A396 F397 A402 G403 R405 | P356-V400 HydrophobicContact CG-CG1 3.8Å; W371-V400 HydrophobicContact CH2-CG1 3.54Å; W371-V400 HydrophobicContact CZ2-CG1 3.53Å; Y388-V400 HydrophobicContact CD1-CG2 4.47Å; Y388-V400 HydrophobicContact CE1-CG2 3.57Å; A396-V400 WeakPolarHBondContact O-CB 3.43Å; A396-V400 WeakPolarHBondContact O-CG2 3.33Å; A396-V400 PolarHBondContact O-N 3.14Å; F397-V400 PolarHBondContact O-N 3.22Å; V400-A402 VanDerWaalsContact C-N 3.31Å; V400-A402 PolarHBondContact O-N 2.96Å; V400-G403 PolarHBondContact O-N 3.04Å; V400-R405 PolarHBondContact O-NH1 3.43Å |
| 401 | D | 93.3 | Very high | 95.3 | Very high | 68 Ų | 68 | 67 Ų | 67 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.1 | -33.8 | 176.1 | -172.5 | 47 | 0 | 0 | 0 | 112.2 | F397 L398 R399 G403 R426 | F397-D401 PolarHBondContact O-N 3.17Å; L398-D401 PolarHBondContact O-N 3.24Å; R399-D401 VanDerWaalsContact C-N 3.33Å; R399-D401 PolarHBondContact O-N 3.08Å; D401-G403 PolarHBondContact O-N 2.65Å; D401-R426 PolarHBondContact O-NH1 3.05Å; D401-R426 IonicContact OD1-CZ 2.7Å; D401-R426 IonicContact OD1-NH1 3.89Å; D401-R426 IonicContact OD1-NH2 3.64Å; D401-R426 PolarHBondContact OD1-NH2 3.35Å |
| 402 | A | 96.3 | Very high | 95.2 | Very high | 89 Ų | 89 | 66.2 Ų | 66.2 | 74% | 0.736 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -0.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L398 R399 V400 | L398-A402 WeakPolarHBondContact O-CB 3.21Å; L398-A402 PolarHBondContact O-N 3.06Å; R399-A402 CarbonylContact O-C 3.58Å; R399-A402 PolarHBondContact O-N 3.23Å; V400-A402 VanDerWaalsContact C-N 3.31Å; V400-A402 PolarHBondContact O-N 2.96Å |
| 403 | G | 95.9 | Very high | 95 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 50% | 0.495 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | 0.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R399 V400 D401 | R399-G403 PolarHBondContact O-N 3.39Å; V400-G403 PolarHBondContact O-N 3.04Å; D401-G403 PolarHBondContact O-N 2.65Å |
| 404 | Y | 97.9 | Very high | 95.1 | Very high | 73 Ų | 73 | 65.9 Ų | 65.9 | 29% | 0.286 | 36% | 0.363 | S | S | . | . | trans | -62.4 | 140.9 | 174.7 | 173.6 | -95 | 0 | 0 | 0 | 111.6 | Y388 M391 R399 M406 P407 | Y388-Y404 HydrophobicContact CD1-CD1 4.29Å; Y388-Y404 AromaticContact CD1-CE1 3.78Å; Y388-Y404 HydrophobicContact CD1-CE1 3.78Å; Y388-Y404 HydrophobicContact CE1-CD1 4.18Å; Y388-Y404 AromaticContact CE1-CE1 3.93Å; Y388-Y404 HydrophobicContact CE1-CE1 3.93Å; M391-Y404 HydrophobicContact CE-CE1 4.18Å; R399-Y404 HydrophobicContact CB-CD1 4.31Å; R399-Y404 HydrophobicContact CB-CG 4.25Å; R399-Y404 WeakPolarHBondContact O-CB 3.49Å; R399-Y404 PolarHBondContact O-N 3.46Å; Y404-M406 HydrophobicContact CE1-CG 4.31Å; Y404-P407 WeakPolarHBondContact OH-CD 3.3Å | ||
| 405 | R | 97.9 | Very high | 95.2 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 19% | 0.192 | 35% | 0.352 | C | S | . | . | trans | -133.3 | 149.6 | 169.7 | -61.3 | -62.7 | 179.8 | -93.4 | 5 | 109.3 | V400 L421 W424 | V400-R405 PolarHBondContact O-NH1 3.43Å; R405-L421 HydrophobicContact CB-CD2 3.94Å; R405-L421 HydrophobicContact CG-CD2 4.27Å; R405-W424 HydrophobicContact CB-CE3 4.24Å; R405-W424 VanDerWaalsContact CZ-O 3.32Å; R405-W424 PolarHBondContact NE-O 2.95Å; R405-W424 PolarHBondContact NH2-O 3.47Å | ||
| 406 | M | 97.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 141.1 | -179.6 | -70 | -177 | -70.1 | 0 | 0 | 111 | V375 H378 P387 Y388 Y404 H417 W424 | V375-M406 HydrophobicContact CG1-CE 4.38Å; H378-M406 HydrophobicContact CB-CE 3.88Å; P387-M406 HydrophobicContact CB-CE 4.32Å; P387-M406 HydrophobicContact CB-SD 4.1Å; Y388-M406 HydrophobicContact CD1-CG 3.76Å; Y388-M406 HydrophobicContact CD1-SD 4.12Å; Y388-M406 HydrophobicContact CD2-SD 4.17Å; Y388-M406 HydrophobicContact CE1-CE 4.46Å; Y388-M406 HydrophobicContact CE1-CG 3.63Å; Y388-M406 HydrophobicContact CE1-SD 4.13Å; Y388-M406 HydrophobicContact CE2-CE 4.11Å; Y388-M406 HydrophobicContact CE2-SD 4.17Å; Y388-M406 HydrophobicContact CG-CG 4.36Å; Y388-M406 HydrophobicContact CG-SD 4.13Å; Y388-M406 PolarHBondContact N-SD 2.74Å; Y404-M406 HydrophobicContact CE1-CG 4.31Å; M406-H417 PolarHBondContact O-NE2 3.35Å; M406-H417 VanDerWaalsContact O-NE2 3.14Å; M406-W424 HydrophobicContact CB-CH2 4.21Å; M406-W424 HydrophobicContact CB-CZ3 4.4Å; M406-W424 HydrophobicContact CE-CH2 3.72Å; M406-W424 HydrophobicContact CE-CZ2 3.58Å |
| 407 | P | 97.2 | Very high | 95.3 | Very high | 87 Ų | 87 | 60.3 Ų | 60.3 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 165.8 | 177.1 | 30.2 | -36 | 0 | 0 | 0 | 111.5 | Y404 P409 | Y404-P407 WeakPolarHBondContact OH-CD 3.3Å; P407-P409 WeakPolarHBondContact O-CD 3.42Å |
| 408 | C | 97.7 | Very high | 95.5 | Very high | 54 Ų | 54 | 65 Ų | 65 | 37% | 0.365 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 126.8 | 174.6 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | H417 | C408-H417 VanDerWaalsContact CA-CD2 3.45Å; C408-H417 WeakPolarHBondContact CA-CD2 3.27Å; C408-H417 HydrophobicContact CB-CB 4.04Å; C408-H417 PolarHBondContact N-NE2 3.24Å; C408-H417 VanDerWaalsContact SG-CB 3.6Å |
| 409 | P | 95.6 | Very high | 95.7 | Very high | 15 Ų | 15 | 61 Ų | 61 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 152.5 | 170.7 | -20.6 | 31.2 | 0 | 0 | 0 | 111.6 | F381 P407 E411 C412 | F381-P409 HydrophobicContact CB-CG 4.31Å; F381-P409 WeakPolarHBondContact O-CB 3.46Å; P407-P409 WeakPolarHBondContact O-CD 3.42Å; P409-E411 PolarHBondContact O-N 3.12Å; P409-C412 HydrophobicContact CB-CB 3.89Å; P409-C412 HydrophobicContact CG-CB 4.04Å; P409-C412 VanDerWaalsContact O-CB 3.28Å; P409-C412 WeakPolarHBondContact O-CB 3.49Å; P409-C412 PolarHBondContact O-N 3.43Å; P409-C412 VanDerWaalsContact O-N 3.1Å |
| 410 | L | 88.7 | Confident | 95.8 | Very high | 178 Ų | 178 | 55.6 Ų | 55.6 | 93% | 0.932 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -42.8 | -170.1 | -176.4 | 65.4 | 0 | 0 | 0 | 113.9 | ||
| 411 | E | 85.8 | Confident | 95.8 | Very high | 103 Ų | 103 | 58.7 Ų | 58.7 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 8.9 | -177.4 | -60.5 | -177.9 | 138.6 | 0 | 0 | 112.6 | R383 P409 | R383-E411 IonicContact CZ-OE2 3.44Å; R383-E411 IonicContact NE-OE2 3.44Å; R383-E411 PolarHBondContact NE-OE2 2.86Å; R383-E411 IonicContact NH2-OE1 3.14Å; R383-E411 IonicContact NH2-OE2 2.74Å; R383-E411 PolarHBondContact NH2-OE2 3.29Å; P409-E411 PolarHBondContact O-N 3.12Å |
| 412 | C | 94.5 | Very high | 96.1 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -79.3 | 127.3 | 179.6 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | F381 P409 | F381-C412 HydrophobicContact CB-CB 3.86Å; F381-C412 HydrophobicContact CD1-CB 4.33Å; F381-C412 HydrophobicContact CG-CB 4.29Å; P409-C412 HydrophobicContact CB-CB 3.89Å; P409-C412 HydrophobicContact CG-CB 4.04Å; P409-C412 VanDerWaalsContact O-CB 3.28Å; P409-C412 WeakPolarHBondContact O-CB 3.49Å; P409-C412 PolarHBondContact O-N 3.43Å; P409-C412 VanDerWaalsContact O-N 3.1Å |
| 413 | P | 94.5 | Very high | 96.2 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 21% | 0.214 | 30% | 0.297 | C | S | . | . | trans | -58.4 | 136.5 | 170.2 | -23 | 33.4 | 0 | 0 | 0 | 111 | V286 S415 V416 H417 | V286-P413 HydrophobicContact CG1-CG 3.68Å; P413-S415 PolarHBondContact O-N 3.06Å; P413-S415 VanDerWaalsContact O-N 3.15Å; P413-V416 HydrophobicContact CB-CB 4.5Å; P413-V416 HydrophobicContact CB-CG2 3.99Å; P413-V416 HydrophobicContact CG-CG2 4.1Å; P413-V416 WeakPolarHBondContact O-CB 3.24Å; P413-V416 PolarHBondContact O-N 3.3Å; P413-H417 PolarHBondContact O-N 3.4Å | ||
| 414 | P | 95.5 | Very high | 96.3 | Very high | 105 Ų | 105 | 51 Ų | 51 | 68% | 0.682 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58 | -31.7 | -179.5 | -28.2 | 35.3 | 0 | 0 | 0 | 114 | V416 H417 K418 | P414-V416 VanDerWaalsContact C-N 3.3Å; P414-V416 PolarHBondContact O-N 2.99Å; P414-H417 PolarHBondContact O-N 3.14Å; P414-K418 WeakPolarHBondContact O-CB 3.49Å; P414-K418 PolarHBondContact O-N 3.22Å |
| 415 | S | 95.6 | Very high | 96.4 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.8 | -36 | 175.1 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | P413 L419 | P413-S415 PolarHBondContact O-N 3.06Å; P413-S415 VanDerWaalsContact O-N 3.15Å; S415-L419 PolarHBondContact O-N 2.94Å; S415-L419 VanDerWaalsContact O-N 3.16Å |
| 416 | V | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.9 | -42 | 176.7 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | L290 F381 P413 P414 K418 L419 M420 F444 | L290-V416 HydrophobicContact CD2-CG2 3.74Å; F381-V416 HydrophobicContact CD2-CG1 3.8Å; F381-V416 HydrophobicContact CE2-CG1 3.5Å; F381-V416 VanDerWaalsContact CE2-CG1 3.5Å; F381-V416 HydrophobicContact CG-CG1 4.48Å; F381-V416 HydrophobicContact CZ-CG1 3.9Å; F381-V416 HydrophobicContact CZ-CG2 4.21Å; P413-V416 HydrophobicContact CB-CB 4.5Å; P413-V416 HydrophobicContact CB-CG2 3.99Å; P413-V416 HydrophobicContact CG-CG2 4.1Å; P413-V416 WeakPolarHBondContact O-CB 3.24Å; P413-V416 PolarHBondContact O-N 3.3Å; P414-V416 VanDerWaalsContact C-N 3.3Å; P414-V416 PolarHBondContact O-N 2.99Å; V416-K418 VanDerWaalsContact C-N 3.3Å; V416-K418 PolarHBondContact O-N 3.16Å; V416-L419 WeakPolarHBondContact O-CA 3.5Å; V416-L419 WeakPolarHBondContact O-CB 3.38Å; V416-L419 PolarHBondContact O-N 2.78Å; V416-M420 HydrophobicContact CG1-CE 3.96Å; V416-M420 WeakPolarHBondContact O-CG 3.16Å; V416-M420 PolarHBondContact O-N 3.01Å; V416-F444 HydrophobicContact CG2-CD2 3.76Å; V416-F444 HydrophobicContact CG2-CE2 3.98Å |
| 417 | H | 98.1 | Very high | 96.3 | Very high | 31 Ų | 31 | 58.1 Ų | 58.1 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 174.9 | -178.2 | -109.6 | 0 | 0 | 0 | 111.8 | M406 C408 P413 P414 L419 M420 L421 | M406-H417 PolarHBondContact O-NE2 3.35Å; M406-H417 VanDerWaalsContact O-NE2 3.14Å; C408-H417 VanDerWaalsContact CA-CD2 3.45Å; C408-H417 WeakPolarHBondContact CA-CD2 3.27Å; C408-H417 HydrophobicContact CB-CB 4.04Å; C408-H417 PolarHBondContact N-NE2 3.24Å; C408-H417 VanDerWaalsContact SG-CB 3.6Å; P413-H417 PolarHBondContact O-N 3.4Å; P414-H417 PolarHBondContact O-N 3.14Å; H417-L419 PolarHBondContact O-N 3.35Å; H417-M420 WeakPolarHBondContact O-CB 3.5Å; H417-M420 PolarHBondContact O-N 2.75Å; H417-L421 WeakPolarHBondContact O-CG 3.38Å; H417-L421 PolarHBondContact O-N 3.41Å |
| 418 | K | 98.1 | Very high | 96.3 | Very high | 154 Ų | 154 | 55.4 Ų | 55.4 | 67% | 0.67 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -57.6 | -38.4 | 171.1 | -171.8 | 176.4 | -178.6 | 178 | 0 | 111.9 | P414 V416 L421 T422 | P414-K418 WeakPolarHBondContact O-CB 3.49Å; P414-K418 PolarHBondContact O-N 3.22Å; V416-K418 VanDerWaalsContact C-N 3.3Å; V416-K418 PolarHBondContact O-N 3.16Å; K418-L421 PolarHBondContact O-N 3.26Å; K418-T422 WeakPolarHBondContact O-CG2 3.37Å; K418-T422 PolarHBondContact O-N 3.4Å |
| 419 | L | 98.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 173.4 | -170.8 | 65 | 0 | 0 | 0 | 111.8 | L377 S415 V416 H417 L421 T422 C423 L437 R440 L441 F444 | L377-L419 HydrophobicContact CD1-CD2 4.33Å; S415-L419 PolarHBondContact O-N 2.94Å; S415-L419 VanDerWaalsContact O-N 3.16Å; V416-L419 WeakPolarHBondContact O-CA 3.5Å; V416-L419 WeakPolarHBondContact O-CB 3.38Å; V416-L419 PolarHBondContact O-N 2.78Å; H417-L419 PolarHBondContact O-N 3.35Å; L419-L421 VanDerWaalsContact C-N 3.3Å; L419-L421 PolarHBondContact O-N 3.01Å; L419-T422 PolarHBondContact O-N 2.87Å; L419-T422 VanDerWaalsContact O-N 3.1Å; L419-T422 PolarHBondContact O-OG1 2.96Å; L419-C423 PolarHBondContact O-N 2.99Å; L419-C423 PolarHBondContact O-SG 3.43Å; L419-L437 HydrophobicContact CD1-CD2 3.63Å; L419-L437 HydrophobicContact CD2-CD2 4.29Å; L419-L437 HydrophobicContact CG-CD2 3.94Å; L419-R440 HydrophobicContact CD1-CB 4.07Å; L419-R440 VanDerWaalsContact CD1-CD 3.43Å; L419-R440 HydrophobicContact CD1-CG 4.41Å; L419-R440 HydrophobicContact CD2-CB 4.42Å; L419-L441 HydrophobicContact CD2-CD2 3.79Å; L419-L441 HydrophobicContact CD2-CG 3.81Å; L419-F444 HydrophobicContact CD2-CE2 4.16Å |
| 420 | M | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.5 | -44.9 | 174.9 | -57.9 | 177 | -165.9 | 0 | 0 | 111.3 | L377 H378 F381 V416 H417 T422 C423 W424 | L377-M420 HydrophobicContact CB-CE 3.93Å; L377-M420 HydrophobicContact CB-CG 3.79Å; L377-M420 HydrophobicContact CB-SD 4.33Å; L377-M420 HydrophobicContact CD1-CG 4.03Å; H378-M420 HydrophobicContact CB-SD 4.13Å; F381-M420 HydrophobicContact CB-CE 4.12Å; F381-M420 HydrophobicContact CD2-CE 3.93Å; F381-M420 HydrophobicContact CG-CE 4.29Å; V416-M420 HydrophobicContact CG1-CE 3.96Å; V416-M420 WeakPolarHBondContact O-CG 3.16Å; V416-M420 PolarHBondContact O-N 3.01Å; H417-M420 WeakPolarHBondContact O-CB 3.5Å; H417-M420 PolarHBondContact O-N 2.75Å; M420-T422 VanDerWaalsContact C-N 3.27Å; M420-T422 PolarHBondContact O-N 3.09Å; M420-C423 WeakPolarHBondContact O-CA 3.39Å; M420-C423 VanDerWaalsContact O-CB 3.27Å; M420-C423 WeakPolarHBondContact O-CB 3.49Å; M420-C423 PolarHBondContact O-N 2.93Å; M420-W424 HydrophobicContact CB-CE3 4.19Å; M420-W424 HydrophobicContact CB-CH2 3.83Å; M420-W424 HydrophobicContact CB-CZ2 4.25Å; M420-W424 HydrophobicContact CB-CZ3 3.8Å; M420-W424 HydrophobicContact CG-CH2 4.45Å; M420-W424 PolarHBondContact O-N 2.8Å; M420-W424 HydrophobicContact SD-CH2 4.08Å |
| 421 | L | 98.7 | Very high | 96.8 | Very high | 75 Ų | 75 | 56.5 Ų | 56.5 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.4 | -34.9 | 177.6 | -66.5 | 175.8 | 0 | 0 | 0 | 112.7 | R405 H417 K418 L419 C423 W424 | R405-L421 HydrophobicContact CB-CD2 3.94Å; R405-L421 HydrophobicContact CG-CD2 4.27Å; H417-L421 WeakPolarHBondContact O-CG 3.38Å; H417-L421 PolarHBondContact O-N 3.41Å; K418-L421 PolarHBondContact O-N 3.26Å; L419-L421 VanDerWaalsContact C-N 3.3Å; L419-L421 PolarHBondContact O-N 3.01Å; L421-C423 VanDerWaalsContact C-N 3.32Å; L421-W424 HydrophobicContact CD2-CE3 4.19Å; L421-W424 HydrophobicContact CD2-CZ3 4.47Å; L421-W424 CarbonylContact O-C 3.53Å; L421-W424 PolarHBondContact O-N 3.28Å |
| 422 | T | 98.6 | Very high | 97.4 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.9 | -30.5 | 173.8 | 65 | 0 | 0 | 0 | 0 | 113 | K418 L419 M420 W424 P432 | K418-T422 WeakPolarHBondContact O-CG2 3.37Å; K418-T422 PolarHBondContact O-N 3.4Å; L419-T422 PolarHBondContact O-N 2.87Å; L419-T422 VanDerWaalsContact O-N 3.1Å; L419-T422 PolarHBondContact O-OG1 2.96Å; M420-T422 VanDerWaalsContact C-N 3.27Å; M420-T422 PolarHBondContact O-N 3.09Å; T422-W424 VanDerWaalsContact C-N 3.33Å; T422-P432 WeakPolarHBondContact O-CD 3.42Å |
| 423 | C | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.5 | -33.6 | 173.6 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | V370 L419 M420 L421 C425 R431 | V370-C423 HydrophobicContact CG1-CB 4.07Å; V370-C423 WeakPolarHBondContact O-CB 3.39Å; L419-C423 PolarHBondContact O-N 2.99Å; L419-C423 PolarHBondContact O-SG 3.43Å; M420-C423 WeakPolarHBondContact O-CA 3.39Å; M420-C423 VanDerWaalsContact O-CB 3.27Å; M420-C423 WeakPolarHBondContact O-CB 3.49Å; M420-C423 PolarHBondContact O-N 2.93Å; L421-C423 VanDerWaalsContact C-N 3.32Å; C423-C425 VanDerWaalsContact C-N 3.31Å; C423-C425 PolarHBondContact O-N 3.1Å; C423-R431 VanDerWaalsContact O-CD 3.23Å; C423-R431 WeakPolarHBondContact O-CD 3.48Å; C423-R431 WeakPolarHBondContact O-CG 3.34Å |
| 424 | W | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 26.6 | -179.1 | -54.9 | -39.7 | 0 | 0 | 0 | 114.3 | W371 G374 V375 H378 R405 M406 M420 L421 T422 | W371-W424 AromaticContact CD2-CD1 3.72Å; W371-W424 AromaticContact CE2-CD1 3.74Å; W371-W424 HydrophobicContact CE3-CB 4.15Å; W371-W424 HydrophobicContact CH2-CB 4.01Å; W371-W424 HydrophobicContact CH2-CG 4.49Å; W371-W424 HydrophobicContact CZ2-CB 4.44Å; W371-W424 HydrophobicContact CZ2-CG 4.45Å; W371-W424 HydrophobicContact CZ3-CB 3.86Å; W371-W424 WeakPolarHBondContact CZ3-O 3.48Å; W371-W424 PolarHBondContact O-NE1 2.95Å; G374-W424 WeakPolarHBondContact O-CZ2 3.21Å; V375-W424 HydrophobicContact CG2-CZ2 4.34Å; H378-W424 HydrophobicContact CB-CH2 4.14Å; H378-W424 HydrophobicContact CB-CZ2 4.23Å; R405-W424 HydrophobicContact CB-CE3 4.24Å; R405-W424 VanDerWaalsContact CZ-O 3.32Å; R405-W424 PolarHBondContact NE-O 2.95Å; R405-W424 PolarHBondContact NH2-O 3.47Å; M406-W424 HydrophobicContact CB-CH2 4.21Å; M406-W424 HydrophobicContact CB-CZ3 4.4Å; M406-W424 HydrophobicContact CE-CH2 3.72Å; M406-W424 HydrophobicContact CE-CZ2 3.58Å; M420-W424 HydrophobicContact CB-CE3 4.19Å; M420-W424 HydrophobicContact CB-CH2 3.83Å; M420-W424 HydrophobicContact CB-CZ2 4.25Å; M420-W424 HydrophobicContact CB-CZ3 3.8Å; M420-W424 HydrophobicContact CG-CH2 4.45Å; M420-W424 PolarHBondContact O-N 2.8Å; M420-W424 HydrophobicContact SD-CH2 4.08Å; L421-W424 HydrophobicContact CD2-CE3 4.19Å; L421-W424 HydrophobicContact CD2-CZ3 4.47Å; L421-W424 CarbonylContact O-C 3.53Å; L421-W424 PolarHBondContact O-N 3.28Å; T422-W424 VanDerWaalsContact C-N 3.33Å |
| 425 | C | 98.3 | Very high | 97.8 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 30% | 0.297 | 26% | 0.262 | S | S | . | . | trans | -63.7 | 138.8 | 172.1 | -161 | 0 | 0 | 0 | 0 | 110.1 | C423 D427 Q430 R431 | C423-C425 VanDerWaalsContact C-N 3.31Å; C423-C425 PolarHBondContact O-N 3.1Å; C425-D427 VanDerWaalsContact C-N 3.33Å; C425-D427 PolarHBondContact O-N 2.64Å; C425-Q430 HydrophobicContact CB-CB 4.26Å; C425-R431 HydrophobicContact CB-CG 4.03Å; C425-R431 PolarHBondContact O-NE 2.99Å; C425-R431 PolarHBondContact O-NH2 3.48Å | ||
| 426 | R | 96.3 | Very high | 97.8 | Very high | 158 Ų | 158 | 51.5 Ų | 51.5 | 60% | 0.596 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -62.6 | -43.5 | -177.9 | -175.1 | 178.6 | -174.3 | 120.4 | 14.8 | 111 | D401 P428 | D401-R426 PolarHBondContact O-NH1 3.05Å; D401-R426 IonicContact OD1-CZ 2.7Å; D401-R426 IonicContact OD1-NH1 3.89Å; D401-R426 IonicContact OD1-NH2 3.64Å; D401-R426 PolarHBondContact OD1-NH2 3.35Å; R426-P428 WeakPolarHBondContact O-CD 3.42Å |
| 427 | D | 97.3 | Very high | 97.9 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -78.3 | 117.1 | 173.7 | -177.6 | 0.4 | 0 | 0 | 0 | 109.8 | C425 E429 Q430 | C425-D427 VanDerWaalsContact C-N 3.33Å; C425-D427 PolarHBondContact O-N 2.64Å; D427-E429 PolarHBondContact O-N 3.29Å; D427-E429 PolarHBondContact OD1-N 3.26Å; D427-E429 VanDerWaalsContact OD1-N 3.08Å; D427-Q430 HydrophobicContact CB-CB 4.32Å; D427-Q430 HydrophobicContact CB-CG 3.86Å; D427-Q430 PolarHBondContact O-N 3.21Å; D427-Q430 WeakPolarHBondContact OD2-CG 3.2Å |
| 428 | P | 97.8 | Very high | 97.7 | Very high | 29 Ų | 29 | 52.1 Ų | 52.1 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -56 | -34.2 | 177.7 | -24 | 34.7 | 0 | 0 | 0 | 113.6 | E357 K367 R426 Q430 R431 | E357-P428 HydrophobicContact CG-CG 4.02Å; K367-P428 HydrophobicContact CB-CB 3.82Å; K367-P428 WeakPolarHBondContact CD-O 3.47Å; K367-P428 HydrophobicContact CG-CB 4.32Å; K367-P428 WeakPolarHBondContact CG-O 3.25Å; R426-P428 WeakPolarHBondContact O-CD 3.42Å; P428-Q430 VanDerWaalsContact C-N 3.27Å; P428-Q430 PolarHBondContact O-N 2.97Å; P428-R431 VanDerWaalsContact O-CB 3.31Å; P428-R431 WeakPolarHBondContact O-CB 3.47Å; P428-R431 WeakPolarHBondContact O-CG 3.45Å; P428-R431 PolarHBondContact O-N 2.69Å; P428-R431 VanDerWaalsContact O-N 3.1Å |
| 429 | E | 96.9 | Very high | 97.3 | Very high | 133 Ų | 133 | 48.8 Ų | 48.8 | 62% | 0.621 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -70.9 | -25.2 | -176.4 | -65.2 | -50.2 | 120.3 | 0 | 0 | 112.8 | D427 R431 | D427-E429 PolarHBondContact O-N 3.29Å; D427-E429 PolarHBondContact OD1-N 3.26Å; D427-E429 VanDerWaalsContact OD1-N 3.08Å; E429-R431 VanDerWaalsContact C-N 3.26Å; E429-R431 PolarHBondContact O-N 3.21Å |
| 430 | Q | 98.1 | Very high | 97.1 | Very high | 134 Ų | 134 | 53.8 Ų | 53.8 | 63% | 0.626 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -80.1 | -8.2 | 175.3 | -59.8 | -57.5 | -40.5 | 0 | 0 | 113.1 | C425 D427 P428 | C425-Q430 HydrophobicContact CB-CB 4.26Å; D427-Q430 HydrophobicContact CB-CB 4.32Å; D427-Q430 HydrophobicContact CB-CG 3.86Å; D427-Q430 PolarHBondContact O-N 3.21Å; D427-Q430 WeakPolarHBondContact OD2-CG 3.2Å; P428-Q430 VanDerWaalsContact C-N 3.27Å; P428-Q430 PolarHBondContact O-N 2.97Å |
| 431 | R | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -75.7 | 139.3 | 176.8 | -56.7 | 175.4 | -167.7 | 153.9 | 10.2 | 109.4 | E357 K367 V370 C423 C425 P428 E429 | E357-R431 IonicContact OE1-CZ 3.29Å; E357-R431 IonicContact OE1-NH1 3.62Å; E357-R431 PolarHBondContact OE1-NH1 3.43Å; E357-R431 IonicContact OE1-NH2 2.82Å; E357-R431 PolarHBondContact OE1-NH2 2.6Å; E357-R431 IonicContact OE2-CZ 3.42Å; E357-R431 IonicContact OE2-NH1 2.69Å; E357-R431 IonicContact OE2-NH2 3.67Å; E357-R431 PolarHBondContact OE2-NH2 3.28Å; K367-R431 HydrophobicContact CD-CB 4.36Å; K367-R431 PolarHBondContact NZ-O 3.43Å; K367-R431 WeakPolarHBondContact O-CD 3.47Å; K367-R431 PolarHBondContact O-NH1 3.5Å; V370-R431 HydrophobicContact CG1-CB 3.84Å; C423-R431 VanDerWaalsContact O-CD 3.23Å; C423-R431 WeakPolarHBondContact O-CD 3.48Å; C423-R431 WeakPolarHBondContact O-CG 3.34Å; C425-R431 HydrophobicContact CB-CG 4.03Å; C425-R431 PolarHBondContact O-NE 2.99Å; C425-R431 PolarHBondContact O-NH2 3.48Å; P428-R431 VanDerWaalsContact O-CB 3.31Å; P428-R431 WeakPolarHBondContact O-CB 3.47Å; P428-R431 WeakPolarHBondContact O-CG 3.45Å; P428-R431 PolarHBondContact O-N 2.69Å; P428-R431 VanDerWaalsContact O-N 3.1Å; E429-R431 VanDerWaalsContact C-N 3.26Å; E429-R431 PolarHBondContact O-N 3.21Å |
| 432 | P | 98.3 | Very high | 96.2 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 152.5 | 177 | 29.1 | -36.3 | 0 | 0 | 0 | 111.2 | V370 T422 A436 L437 | V370-P432 HydrophobicContact CG1-CG 4.41Å; V370-P432 VanDerWaalsContact CG2-O 3.3Å; V370-P432 WeakPolarHBondContact CG2-O 3.31Å; T422-P432 WeakPolarHBondContact O-CD 3.42Å; P432-A436 HydrophobicContact CB-CB 4.23Å; P432-L437 HydrophobicContact CB-CD2 4.15Å; P432-L437 HydrophobicContact CB-CG 4.15Å; P432-L437 HydrophobicContact CG-CD1 4.35Å; P432-L437 HydrophobicContact CG-CD2 3.42Å; P432-L437 VanDerWaalsContact CG-CD2 3.42Å; P432-L437 HydrophobicContact CG-CG 3.79Å |
| 433 | C | 98 | Very high | 95.6 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 31% | 0.311 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 165.9 | 165.9 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | K435 A436 L437 | C433-K435 VanDerWaalsContact C-N 3.29Å; C433-K435 PolarHBondContact O-N 3.2Å; C433-A436 PolarHBondContact O-N 2.9Å; C433-A436 VanDerWaalsContact O-N 3.14Å; C433-L437 WeakPolarHBondContact O-CG 3.38Å; C433-L437 PolarHBondContact O-N 3.04Å |
| 434 | F | 98.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.2 | -33 | -177.8 | -81.2 | -72.3 | 0 | 0 | 0 | 112.9 | M300 C301 E304 L313 D369 V370 F373 A436 L437 R438 | M300-F434 HydrophobicContact CB-CB 4.44Å; M300-F434 HydrophobicContact CB-CD1 3.38Å; M300-F434 HydrophobicContact CB-CD2 3.91Å; M300-F434 HydrophobicContact CB-CE1 3.38Å; M300-F434 HydrophobicContact CB-CE2 3.91Å; M300-F434 HydrophobicContact CB-CG 3.65Å; M300-F434 HydrophobicContact CB-CZ 3.65Å; M300-F434 HydrophobicContact CE-CE2 3.8Å; M300-F434 HydrophobicContact CE-CZ 3.73Å; M300-F434 HydrophobicContact CG-CD1 4.28Å; M300-F434 HydrophobicContact CG-CE1 3.81Å; M300-F434 HydrophobicContact CG-CZ 3.96Å; C301-F434 HydrophobicContact CB-CB 3.93Å; E304-F434 HydrophobicContact CB-CD2 4.37Å; E304-F434 PolarHBondContact OE2-N 3.44Å; E304-F434 VanDerWaalsContact OE2-N 3.12Å; L313-F434 HydrophobicContact CD2-CZ 4.37Å; D369-F434 HydrophobicContact CB-CE2 3.99Å; D369-F434 HydrophobicContact CB-CZ 4.04Å; V370-F434 HydrophobicContact CG2-CD2 4.04Å; V370-F434 HydrophobicContact CG2-CE1 4.47Å; V370-F434 HydrophobicContact CG2-CE2 3.72Å; V370-F434 HydrophobicContact CG2-CZ 3.96Å; F373-F434 HydrophobicContact CB-CE1 3.75Å; F373-F434 HydrophobicContact CB-CZ 4.12Å; F373-F434 HydrophobicContact CD1-CE1 4.35Å; F373-F434 HydrophobicContact CD2-CE1 4.06Å; F373-F434 AromaticContact CG-CE1 3.8Å; F373-F434 HydrophobicContact CG-CE1 3.8Å; F434-A436 VanDerWaalsContact C-N 3.33Å; F434-A436 PolarHBondContact O-N 2.92Å; F434-L437 HydrophobicContact CD1-CD1 3.85Å; F434-L437 HydrophobicContact CE1-CD1 4.12Å; F434-L437 PolarHBondContact O-N 3.29Å; F434-R438 WeakPolarHBondContact O-CB 3.39Å; F434-R438 PolarHBondContact O-N 3.1Å |
| 435 | K | 95.9 | Very high | 94 | Very high | 112 Ų | 112 | 56.4 Ų | 56.4 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.3 | -47.7 | 171.7 | -177 | 178.9 | 176.1 | -178.8 | 0 | 112 | C433 R438 E439 | C433-K435 VanDerWaalsContact C-N 3.29Å; C433-K435 PolarHBondContact O-N 3.2Å; K435-R438 PolarHBondContact O-N 2.77Å; K435-E439 VanDerWaalsContact CE-OE1 3.24Å; K435-E439 WeakPolarHBondContact CE-OE1 3.16Å; K435-E439 WeakPolarHBondContact O-CG 3.03Å; K435-E439 PolarHBondContact O-N 2.95Å |
| 436 | A | 96.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 58 Ų | 58 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69 | -36.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P432 C433 F434 E439 R440 | P432-A436 HydrophobicContact CB-CB 4.23Å; C433-A436 PolarHBondContact O-N 2.9Å; C433-A436 VanDerWaalsContact O-N 3.14Å; F434-A436 VanDerWaalsContact C-N 3.33Å; F434-A436 PolarHBondContact O-N 2.92Å; A436-E439 PolarHBondContact O-N 2.93Å; A436-R440 VanDerWaalsContact O-CG 3.31Å; A436-R440 WeakPolarHBondContact O-CG 3.23Å; A436-R440 PolarHBondContact O-N 3.36Å |
| 437 | L | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 174.3 | -71 | 172.3 | 0 | 0 | 0 | 111.6 | V370 F373 L419 P432 C433 F434 E439 R440 L441 | V370-L437 HydrophobicContact CG1-CD1 4.06Å; V370-L437 HydrophobicContact CG2-CD1 4.27Å; F373-L437 HydrophobicContact CD1-CD1 3.74Å; F373-L437 HydrophobicContact CE1-CB 4.39Å; F373-L437 HydrophobicContact CE1-CD1 4.1Å; L419-L437 HydrophobicContact CD1-CD2 3.63Å; L419-L437 HydrophobicContact CD2-CD2 4.29Å; L419-L437 HydrophobicContact CG-CD2 3.94Å; P432-L437 HydrophobicContact CB-CD2 4.15Å; P432-L437 HydrophobicContact CB-CG 4.15Å; P432-L437 HydrophobicContact CG-CD1 4.35Å; P432-L437 HydrophobicContact CG-CD2 3.42Å; P432-L437 VanDerWaalsContact CG-CD2 3.42Å; P432-L437 HydrophobicContact CG-CG 3.79Å; C433-L437 WeakPolarHBondContact O-CG 3.38Å; C433-L437 PolarHBondContact O-N 3.04Å; F434-L437 HydrophobicContact CD1-CD1 3.85Å; F434-L437 HydrophobicContact CE1-CD1 4.12Å; F434-L437 PolarHBondContact O-N 3.29Å; L437-E439 PolarHBondContact O-N 2.84Å; L437-R440 PolarHBondContact O-N 2.93Å; L437-L441 WeakPolarHBondContact O-CG 3.47Å; L437-L441 PolarHBondContact O-N 3.35Å |
| 438 | R | 93.8 | Very high | 91.8 | Very high | 43 Ų | 43 | 51.1 Ų | 51.1 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 175.7 | 179 | -168.6 | 73.6 | 155.4 | 1.3 | 112.2 | W294 A297 E298 F434 K435 R440 L441 S442 | W294-R438 VanDerWaalsContact CD1-O 3.32Å; W294-R438 HydrophobicContact CZ2-CG 4.41Å; A297-R438 HydrophobicContact CB-CB 4.14Å; E298-R438 VanDerWaalsContact CD-NH1 3.29Å; E298-R438 IonicContact OE1-NH1 3.23Å; E298-R438 PolarHBondContact OE1-NH1 3.3Å; E298-R438 WeakPolarHBondContact OE2-CD 3.24Å; E298-R438 IonicContact OE2-CZ 3.92Å; E298-R438 IonicContact OE2-NE 3.48Å; E298-R438 PolarHBondContact OE2-NE 3.44Å; E298-R438 IonicContact OE2-NH1 2.6Å; E298-R438 PolarHBondContact OE2-NH1 2.84Å; F434-R438 WeakPolarHBondContact O-CB 3.39Å; F434-R438 PolarHBondContact O-N 3.1Å; K435-R438 PolarHBondContact O-N 2.77Å; R438-R440 PolarHBondContact O-N 2.9Å; R438-L441 PolarHBondContact O-N 3.5Å; R438-S442 WeakPolarHBondContact O-CB 3.42Å; R438-S442 PolarHBondContact O-N 3.45Å |
| 439 | E | 91.3 | Very high | 91.1 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 178.3 | -74.7 | 168.2 | -174.7 | 0 | 0 | 111.8 | P110 K435 A436 L437 S442 S443 | P110-E439 HydrophobicContact CG-CG 4.33Å; K435-E439 VanDerWaalsContact CE-OE1 3.24Å; K435-E439 WeakPolarHBondContact CE-OE1 3.16Å; K435-E439 WeakPolarHBondContact O-CG 3.03Å; K435-E439 PolarHBondContact O-N 2.95Å; A436-E439 PolarHBondContact O-N 2.93Å; L437-E439 PolarHBondContact O-N 2.84Å; E439-S442 WeakPolarHBondContact O-CB 3.31Å; E439-S442 PolarHBondContact O-N 2.84Å; E439-S443 PolarHBondContact O-N 3.16Å |
| 440 | R | 93.4 | Very high | 89.5 | Confident | 110 Ų | 110 | 47.1 Ų | 47.1 | 42% | 0.415 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 176 | -70.9 | 176.8 | -176.9 | -175 | 2.3 | 112.8 | L419 A436 L437 R438 S442 S443 F444 | L419-R440 HydrophobicContact CD1-CB 4.07Å; L419-R440 VanDerWaalsContact CD1-CD 3.43Å; L419-R440 HydrophobicContact CD1-CG 4.41Å; L419-R440 HydrophobicContact CD2-CB 4.42Å; A436-R440 VanDerWaalsContact O-CG 3.31Å; A436-R440 WeakPolarHBondContact O-CG 3.23Å; A436-R440 PolarHBondContact O-N 3.36Å; L437-R440 PolarHBondContact O-N 2.93Å; R438-R440 PolarHBondContact O-N 2.9Å; R440-S442 VanDerWaalsContact C-N 3.28Å; R440-S442 PolarHBondContact O-N 3.41Å; R440-S443 PolarHBondContact O-N 3.45Å; R440-S443 PolarHBondContact O-OG 3.48Å; R440-F444 WeakPolarHBondContact O-CG 3.39Å |
| 441 | L | 92 | Very high | 87.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -35 | 175.8 | -73.1 | 165 | 0 | 0 | 0 | 111.8 | L290 A293 W294 A297 F373 L377 L419 L437 R438 S443 F444 | L290-L441 HydrophobicContact CD2-CD2 4.32Å; A293-L441 HydrophobicContact CB-CD1 4.25Å; A293-L441 HydrophobicContact CB-CD2 4.14Å; W294-L441 HydrophobicContact CB-CB 4.21Å; A297-L441 HydrophobicContact CB-CD1 3.87Å; F373-L441 HydrophobicContact CE1-CD1 4.1Å; F373-L441 HydrophobicContact CZ-CD1 3.75Å; L377-L441 HydrophobicContact CD2-CD2 4.47Å; L419-L441 HydrophobicContact CD2-CD2 3.79Å; L419-L441 HydrophobicContact CD2-CG 3.81Å; L437-L441 WeakPolarHBondContact O-CG 3.47Å; L437-L441 PolarHBondContact O-N 3.35Å; R438-L441 PolarHBondContact O-N 3.5Å; L441-S443 VanDerWaalsContact C-N 3.34Å; L441-S443 PolarHBondContact O-N 2.98Å; L441-F444 HydrophobicContact CD2-CD2 4.32Å; L441-F444 PolarHBondContact O-N 3.31Å |
| 442 | S | 86.1 | Confident | 86.7 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | K109 R438 E439 R440 F444 T445 | K109-S442 VanDerWaalsContact CB-OG 3.29Å; K109-S442 WeakPolarHBondContact CB-OG 3.18Å; K109-S442 WeakPolarHBondContact CG-OG 3.47Å; R438-S442 WeakPolarHBondContact O-CB 3.42Å; R438-S442 PolarHBondContact O-N 3.45Å; E439-S442 WeakPolarHBondContact O-CB 3.31Å; E439-S442 PolarHBondContact O-N 2.84Å; R440-S442 VanDerWaalsContact C-N 3.28Å; R440-S442 PolarHBondContact O-N 3.41Å; S442-F444 PolarHBondContact O-N 3.5Å; S442-T445 PolarHBondContact O-N 2.69Å; S442-T445 VanDerWaalsContact O-N 3.12Å; S442-T445 PolarHBondContact O-OG1 3.26Å |
| 443 | S | 85.2 | Confident | 86.1 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 61% | 0.608 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -68.7 | -15.3 | -178.5 | 73 | 0 | 0 | 0 | 0 | 113.9 | E439 R440 L441 T445 | E439-S443 PolarHBondContact O-N 3.16Å; R440-S443 PolarHBondContact O-N 3.45Å; R440-S443 PolarHBondContact O-OG 3.48Å; L441-S443 VanDerWaalsContact C-N 3.34Å; L441-S443 PolarHBondContact O-N 2.98Å; S443-T445 VanDerWaalsContact C-N 3.29Å |
| 444 | F | 85.6 | Confident | 85.5 | Confident | 61 Ų | 61 | 54.7 Ų | 54.7 | 27% | 0.268 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -4.6 | 174.9 | -56.3 | -25.6 | 0 | 0 | 0 | 113.5 | L290 V416 L419 R440 L441 S442 | L290-F444 HydrophobicContact CD1-CB 4.14Å; L290-F444 HydrophobicContact CD2-CB 3.93Å; L290-F444 HydrophobicContact CD2-CD2 4.07Å; V416-F444 HydrophobicContact CG2-CD2 3.76Å; V416-F444 HydrophobicContact CG2-CE2 3.98Å; L419-F444 HydrophobicContact CD2-CE2 4.16Å; R440-F444 WeakPolarHBondContact O-CG 3.39Å; L441-F444 HydrophobicContact CD2-CD2 4.32Å; L441-F444 PolarHBondContact O-N 3.31Å; S442-F444 PolarHBondContact O-N 3.5Å |
| 445 | T | 79.7 | Confident | 84.7 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 10% | 0.104 | 31% | 0.31 | C | S | . | . | trans | -84.7 | 131.5 | 176.6 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | S442 S443 Y447 | S442-T445 PolarHBondContact O-N 2.69Å; S442-T445 VanDerWaalsContact O-N 3.12Å; S442-T445 PolarHBondContact O-OG1 3.26Å; S443-T445 VanDerWaalsContact C-N 3.29Å; T445-Y447 WeakPolarHBondContact O-CD2 3.44Å; T445-Y447 WeakPolarHBondContact O-CE2 3.43Å; T445-Y447 WeakPolarHBondContact OG1-CE2 3.45Å; T445-Y447 PolarHBondContact OG1-OH 2.83Å | ||
| 446 | S | 78.1 | Confident | 84 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 55% | 0.545 | 30% | 0.299 | S | S | . | . | trans | -83.3 | 140 | 178.9 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | R85 | R85-S446 PolarHBondContact NH1-O 3.11Å; R85-S446 PolarHBondContact NH2-O 2.88Å | ||
| 447 | Y | 82.3 | Confident | 83.2 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | trans | -131 | 153.4 | 175.2 | -64.3 | -91.9 | 0 | 0 | 0 | 109.9 | I115 H126 K128 T445 | I115-Y447 HydrophobicContact CD1-CD1 4.35Å; I115-Y447 HydrophobicContact CD1-CE1 3.69Å; I115-Y447 HydrophobicContact CG1-CE1 4.43Å; I115-Y447 HydrophobicContact CG2-CE1 4.38Å; H126-Y447 HydrophobicContact CB-CD1 4.15Å; H126-Y447 HydrophobicContact CB-CE1 4.5Å; H126-Y447 WeakPolarHBondContact O-CA 3.34Å; K128-Y447 HydrophobicContact CD-CD1 4.42Å; K128-Y447 HydrophobicContact CD-CD2 4.2Å; K128-Y447 HydrophobicContact CD-CE2 4.44Å; K128-Y447 HydrophobicContact CD-CG 4.18Å; K128-Y447 HydrophobicContact CG-CD1 3.64Å; K128-Y447 HydrophobicContact CG-CD2 4.29Å; K128-Y447 HydrophobicContact CG-CE1 3.94Å; K128-Y447 HydrophobicContact CG-CG 3.83Å; T445-Y447 WeakPolarHBondContact O-CD2 3.44Å; T445-Y447 WeakPolarHBondContact O-CE2 3.43Å; T445-Y447 WeakPolarHBondContact OG1-CE2 3.45Å; T445-Y447 PolarHBondContact OG1-OH 2.83Å | ||
| 448 | E | 84.4 | Confident | 82.2 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 21% | 0.21 | 33% | 0.328 | C | S | . | . | trans | -98 | 13.1 | -168.6 | -58.3 | -73.3 | -174.5 | 0 | 0 | 112.8 | R125 H126 Y127 S161 H162 | R125-E448 HydrophobicContact CB-CG 4Å; R125-E448 VanDerWaalsContact CD-OE1 3.23Å; R125-E448 WeakPolarHBondContact CD-OE1 3.41Å; R125-E448 HydrophobicContact CG-CG 4.45Å; R125-E448 IonicContact CZ-OE1 3.75Å; R125-E448 IonicContact NE-OE1 3.91Å; R125-E448 IonicContact NH1-OE1 3.75Å; R125-E448 PolarHBondContact NH1-OE1 3.46Å; H126-E448 PolarHBondContact O-N 2.72Å; Y127-E448 HydrophobicContact CD1-CB 3.95Å; Y127-E448 HydrophobicContact CE1-CB 3.59Å; Y127-E448 VanDerWaalsContact CE1-O 3.26Å; Y127-E448 WeakPolarHBondContact CE1-O 3.33Å; Y127-E448 HydrophobicContact CE2-CB 4.41Å; S161-E448 PolarHBondContact OG-O 2.82Å; H162-E448 IonicContact CE1-OE2 3.28Å; H162-E448 PolarHBondContact CE1-OE2 3.08Å | ||
| 449 | N | 82.8 | Confident | 81.3 | Confident | 31 Ų | 31 | 61.8 Ų | 61.8 | 17% | 0.166 | 34% | 0.34 | C | S | . | . | trans | -54.7 | 124 | -179.1 | -72 | 87.3 | 0 | 0 | 0 | 109.9 | K128 W130 L139 T451 | K128-N449 WeakPolarHBondContact CB-OD1 3.46Å; K128-N449 PolarHBondContact N-ND2 2.94Å; K128-N449 PolarHBondContact N-OD1 3.21Å; K128-N449 PolarHBondContact O-ND2 3Å; W130-N449 HydrophobicContact CH2-CB 3.62Å; W130-N449 VanDerWaalsContact CH2-ND2 3.26Å; W130-N449 WeakPolarHBondContact CH2-ND2 3.47Å; W130-N449 HydrophobicContact CZ3-CB 4.08Å; W130-N449 WeakPolarHBondContact CZ3-ND2 3.32Å; L139-N449 PolarHBondContact O-ND2 3.23Å; N449-T451 PolarHBondContact O-N 3.27Å | ||
| 450 | P | 64.3 | Low | 80.4 | Confident | 47 Ų | 47 | 60 Ų | 60 | 31% | 0.305 | 34% | 0.336 | S | S | . | . | trans | -64.5 | 136.5 | 174.1 | 19.5 | -20.5 | 0 | 0 | 0 | 109.1 | N140 | N140-P450 HydrophobicContact CB-CG 4.09Š| ||
| 451 | T | 51.5 | Low | 79.3 | Confident | 193 Ų | 193 | 55.5 Ų | 55.5 | 100% | 1.184 | 33% | 0.329 | S | S | * | . | trans | -63 | 0 | 170.4 | 47.1 | 0 | 0 | 0 | 0 | 111.4 | N449 | N449-T451 PolarHBondContact O-N 3.27Š|
Retrieved 451 of 451 residues in 1675.6 ms
(Link to these results)