| 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 | 38.4 | Very low | 47.1 | Very low | 220 Ų | 220 | 105.5 Ų | 105.5 | 100% | 1.084 | 66% | 0.664 | S | S | * | * | 0 | 134.8 | 0 | -64.6 | -175.1 | -155 | 0 | 0 | 107.6 | L3 | M1-L3 PolarHBondContact O-N 3.5Š| |||
| 2 | P | 42 | Very low | 48.3 | Very low | 77 Ų | 77 | 105.3 Ų | 105.3 | 50% | 0.5 | 65% | 0.649 | S | S | . | * | trans | -62.4 | 132 | 172.3 | 26.6 | -29.7 | 0 | 0 | 0 | 108.6 | F4 | P2-F4 PolarHBondContact O-N 3.39Š| ||
| 3 | L | 47.5 | Very low | 50.3 | Low | 169 Ų | 169 | 104.4 Ų | 104.4 | 89% | 0.885 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 3.3 | -175.2 | -83.8 | 151.5 | 0 | 0 | 0 | 115.6 | M1 | M1-L3 PolarHBondContact O-N 3.5Š|
| 4 | F | 51.8 | Low | 52.7 | Low | 68 Ų | 68 | 99 Ų | 99 | 30% | 0.298 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126.1 | 4.6 | -161.3 | -70.1 | -61.2 | 0 | 0 | 0 | 114.7 | P2 G6 R36 L81 | P2-F4 PolarHBondContact O-N 3.39Å; F4-G6 PolarHBondContact O-N 3.41Å; F4-R36 PolarHBondContact O-NH2 2.73Å; F4-L81 HydrophobicContact CD2-CB 4.16Å; F4-L81 HydrophobicContact CD2-CD1 4.2Å; F4-L81 HydrophobicContact CE2-CB 4.18Å; F4-L81 HydrophobicContact CE2-CD1 3.39Å; F4-L81 HydrophobicContact CE2-CG 4.39Å; F4-L81 HydrophobicContact CZ-CD1 3.92Å |
| 5 | E | 50.5 | Low | 55.1 | Low | 106 Ų | 106 | 92.8 Ų | 92.8 | 50% | 0.495 | 56% | 0.562 | S | S | . | * | trans | -69.6 | 101.5 | 174.7 | -126.3 | 166.5 | -164.8 | 0 | 0 | 109.5 | ||||
| 6 | G | 51.7 | Low | 57.5 | Low | 33 Ų | 33 | 87 Ų | 87 | 34% | 0.34 | 53% | 0.527 | S | S | . | . | trans | -57.7 | 143.7 | 163 | 0 | 0 | 0 | 0 | 0 | 109.3 | F4 G8 | F4-G6 PolarHBondContact O-N 3.41Å; G6-G8 PolarHBondContact O-N 2.95Å | ||
| 7 | L | 49.9 | Very low | 59.6 | Low | 187 Ų | 187 | 81.9 Ų | 81.9 | 98% | 0.979 | 50% | 0.496 | S | S | * | . | trans | -63.6 | 80.4 | 178.1 | -75 | 155.6 | 0 | 0 | 0 | 110.3 | S9 | L7-S9 PolarHBondContact O-N 2.78Š| ||
| 8 | G | 47.9 | Very low | 61.6 | Low | 40 Ų | 40 | 77.5 Ų | 77.5 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | trans | -71.9 | 121 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | G6 G10 | G6-G8 PolarHBondContact O-N 2.95Å; G8-G10 PolarHBondContact O-N 2.71Å | ||
| 9 | S | 43.5 | Very low | 63.3 | Low | 110 Ų | 110 | 74.4 Ų | 74.4 | 77% | 0.769 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 116.8 | 167.5 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | L7 Q365 | L7-S9 PolarHBondContact O-N 2.78Å; S9-Q365 PolarHBondContact O-NE2 2.78Å |
| 10 | G | 46.2 | Very low | 64.7 | Low | 66 Ų | 66 | 72.2 Ų | 72.2 | 68% | 0.68 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108 | 24.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | G8 E12 | G8-G10 PolarHBondContact O-N 2.71Å; G10-E12 PolarHBondContact O-N 2.95Å |
| 11 | G | 48.5 | Very low | 65.7 | Low | 84 Ų | 84 | 69.8 Ų | 69.8 | 87% | 0.866 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 72 | -7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 12 | E | 61.3 | Low | 68 | Low | 103 Ų | 103 | 60 Ų | 60 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 135.3 | 170.5 | -68.2 | -164.2 | 149 | 0 | 0 | 111.4 | G10 R88 | G10-E12 PolarHBondContact O-N 2.95Å; E12-R88 IonicContact OE1-NH2 3.42Å |
| 13 | K | 74.7 | Confident | 70.2 | Confident | 94 Ų | 94 | 57.2 Ų | 57.2 | 41% | 0.409 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 129.8 | 178.8 | -66.1 | -179 | 179.3 | 174.2 | 0 | 109.7 | A15 D86 R87 | K13-A15 PolarHBondContact O-N 3.47Å; K13-D86 HydrophobicContact CD-CB 3.77Å; K13-D86 IonicContact NZ-OD1 3.75Å; K13-D86 IonicContact NZ-OD2 2.71Å; K13-D86 PolarHBondContact NZ-OD2 2.99Å; K13-R87 HydrophobicContact CB-CG 3.81Å; K13-R87 HydrophobicContact CD-CG 4.35Å |
| 14 | T | 84.1 | Confident | 72.3 | Confident | 29 Ų | 29 | 53 Ų | 53 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -50.8 | 135.3 | 175.6 | 53.3 | 0 | 0 | 0 | 0 | 112.5 | R87 | T14-R87 WeakPolarHBondContact O-CD 3.44Å; T14-R87 PolarHBondContact O-NH1 3.03Å; T14-R87 PolarHBondContact OG1-NH1 3.42Å |
| 15 | A | 88.8 | Confident | 74.3 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 151.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K13 F29 A30 R88 L368 | K13-A15 PolarHBondContact O-N 3.47Å; A15-F29 WeakPolarHBondContact O-CA 3.38Å; A15-A30 HydrophobicContact CB-CB 4.09Å; A15-A30 PolarHBondContact O-N 2.86Å; A15-R88 WeakPolarHBondContact CA-O 3.19Å; A15-R88 HydrophobicContact CB-CB 4.39Å; A15-L368 HydrophobicContact CB-CD1 3.66Å |
| 16 | V | 92.6 | Very high | 76.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 132.7 | 174.4 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | I18 F29 Y76 L80 R87 R88 V89 L90 | V16-I18 HydrophobicContact CG1-CD1 4.22Å; V16-I18 HydrophobicContact CG1-CG1 3.87Å; V16-F29 HydrophobicContact CG2-CD1 4.35Å; V16-F29 HydrophobicContact CG2-CE1 4.1Å; V16-Y76 HydrophobicContact CG1-CE1 4.44Å; V16-Y76 HydrophobicContact CG2-CE1 4.12Å; V16-L80 HydrophobicContact CG1-CD1 3.43Å; V16-L80 VanDerWaalsContact CG1-CD1 3.43Å; V16-L80 HydrophobicContact CG2-CD1 4.36Å; V16-R87 HydrophobicContact CG2-CB 4.26Å; V16-R88 PolarHBondContact N-O 3.45Å; V16-V89 WeakPolarHBondContact O-CA 3.46Å; V16-L90 PolarHBondContact O-N 2.93Å |
| 17 | V | 94.3 | Very high | 78.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.7 | 177.5 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | C27 G28 A30 L90 I92 W355 | V17-C27 WeakPolarHBondContact O-CA 3.11Å; V17-G28 PolarHBondContact N-O 2.75Å; V17-G28 PolarHBondContact O-N 3.17Å; V17-G28 VanDerWaalsContact O-N 3.14Å; V17-A30 HydrophobicContact CG2-CB 4.14Å; V17-L90 WeakPolarHBondContact CA-O 3.45Å; V17-L90 HydrophobicContact CG1-CD2 4.24Å; V17-L90 HydrophobicContact CG2-CB 4.31Å; V17-L90 HydrophobicContact CG2-CD2 4.19Å; V17-I92 HydrophobicContact CG1-CD1 3.68Å; V17-I92 HydrophobicContact CG1-CG1 4.41Å; V17-W355 HydrophobicContact CB-CZ2 4.21Å; V17-W355 HydrophobicContact CG1-CG 4.48Å; V17-W355 PolarHBondContact O-NE1 3Å; V17-W355 VanDerWaalsContact O-NE1 3.16Å |
| 18 | I | 94.8 | Very high | 80.5 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.1 | -179.3 | -50.6 | 179.2 | 0 | 0 | 0 | 108.4 | V16 L20 T25 L75 Y76 V89 L90 I91 I92 F109 | V16-I18 HydrophobicContact CG1-CD1 4.22Å; V16-I18 HydrophobicContact CG1-CG1 3.87Å; I18-L20 HydrophobicContact CG2-CD2 3.97Å; I18-L20 HydrophobicContact CG2-CG 3.9Å; I18-T25 HydrophobicContact CG2-CG2 4.04Å; I18-L75 HydrophobicContact CD1-CD2 4.05Å; I18-L75 HydrophobicContact CG1-CD2 4.45Å; I18-L75 HydrophobicContact CG2-CD1 4.08Å; I18-Y76 HydrophobicContact CD1-CE2 4.23Å; I18-V89 HydrophobicContact CD1-CG1 3.88Å; I18-V89 HydrophobicContact CG1-CG1 4.29Å; I18-L90 PolarHBondContact N-O 3.02Å; I18-I91 CarbonylContact O-C 3.59Å; I18-I91 WeakPolarHBondContact O-CA 3.5Å; I18-I92 PolarHBondContact O-N 3.22Å; I18-F109 HydrophobicContact CD1-CE1 4.25Å; I18-F109 HydrophobicContact CD1-CZ 3.83Å |
| 19 | D | 94.1 | Very high | 82.6 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 106.8 | 172 | 179.9 | -1.5 | 0 | 0 | 0 | 108.1 | T25 K26 I92 W355 | D19-T25 CarbonylContact O-C 3.48Å; D19-T25 VanDerWaalsContact O-CA 3.27Å; D19-T25 WeakPolarHBondContact O-CA 3.28Å; D19-T25 WeakPolarHBondContact O-CG2 3.48Å; D19-K26 HydrophobicContact CB-CB 4.17Å; D19-K26 HydrophobicContact CB-CD 4.44Å; D19-K26 PolarHBondContact N-O 3.31Å; D19-K26 PolarHBondContact O-N 3.26Å; D19-I92 HydrophobicContact CB-CB 4.12Å; D19-I92 HydrophobicContact CB-CD1 4.04Å; D19-W355 HydrophobicContact CB-CB 4.29Å |
| 20 | L | 90.7 | Very high | 84.8 | Confident | 30 Ų | 30 | 28 Ų | 28 | 16% | 0.157 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 103 | -176.2 | -71.1 | 169.9 | 0 | 0 | 0 | 109.9 | I18 T25 F71 I91 I92 L105 | I18-L20 HydrophobicContact CG2-CD2 3.97Å; I18-L20 HydrophobicContact CG2-CG 3.9Å; L20-T25 HydrophobicContact CD2-CG2 3.77Å; L20-F71 HydrophobicContact CD2-CD1 4.49Å; L20-F71 HydrophobicContact CD2-CE1 3.8Å; L20-I91 HydrophobicContact CD1-CG2 4.15Å; L20-I92 PolarHBondContact N-O 3.03Å; L20-L105 HydrophobicContact CD1-CD1 3.19Å |
| 21 | G | 87.1 | Confident | 86.7 | Confident | 21 Ų | 21 | 27.5 Ų | 27.5 | 22% | 0.216 | 18% | 0.179 | C | C | . | . | trans | -101.4 | 160.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A23 Y24 S41 V55 | G21-A23 VanDerWaalsContact C-N 3.33Å; G21-A23 PolarHBondContact O-N 2.79Å; G21-Y24 VanDerWaalsContact CA-O 3.3Å; G21-Y24 WeakPolarHBondContact CA-O 3.38Å; G21-Y24 PolarHBondContact N-O 2.84Å; G21-S41 VanDerWaalsContact O-CB 3.26Å; G21-S41 WeakPolarHBondContact O-CB 3.36Å; G21-S41 PolarHBondContact O-OG 2.8Å; G21-V55 WeakPolarHBondContact O-CG2 3.4Å | ||
| 22 | A | 86.6 | Confident | 88.6 | Confident | 16 Ų | 16 | 25.7 Ų | 25.7 | 13% | 0.132 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -65.1 | -33.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y143 T144 | A22-Y143 HydrophobicContact CB-CD1 3.98Å; A22-T144 HydrophobicContact CB-CG2 3.73Å |
| 23 | A | 88.4 | Confident | 89.8 | Confident | 17 Ų | 17 | 27.1 Ų | 27.1 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -101.2 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G21 P40 S41 Y143 | G21-A23 VanDerWaalsContact C-N 3.33Å; G21-A23 PolarHBondContact O-N 2.79Å; A23-P40 WeakPolarHBondContact O-CA 3.42Å; A23-S41 PolarHBondContact O-N 3.47Å; A23-Y143 HydrophobicContact CB-CD1 4.24Å; A23-Y143 HydrophobicContact CB-CD2 3.69Å; A23-Y143 HydrophobicContact CB-CE2 4.33Å; A23-Y143 HydrophobicContact CB-CG 3.64Å |
| 24 | Y | 91.8 | Very high | 90.6 | Very high | 80 Ų | 80 | 23.9 Ų | 23.9 | 31% | 0.314 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 138.6 | -176.3 | -68.5 | -85 | 0 | 0 | 0 | 111.3 | G21 I38 I39 E208 | G21-Y24 VanDerWaalsContact CA-O 3.3Å; G21-Y24 WeakPolarHBondContact CA-O 3.38Å; G21-Y24 PolarHBondContact N-O 2.84Å; Y24-I38 HydrophobicContact CD1-CG2 4.09Å; Y24-I38 HydrophobicContact CG-CG2 4.39Å; Y24-I39 CarbonylContact C-O 3.59Å; Y24-I39 WeakPolarHBondContact CA-O 3.12Å; Y24-E208 WeakPolarHBondContact CE2-OE2 3.38Å; Y24-E208 VanDerWaalsContact CZ-OE2 3.32Å; Y24-E208 VanDerWaalsContact OH-CD 3.25Å; Y24-E208 PolarHBondContact OH-OE2 3.15Å |
| 25 | T | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.7 | 170.4 | -66 | 0 | 0 | 0 | 0 | 109.6 | I18 D19 L20 I38 I39 S41 F71 L75 | I18-T25 HydrophobicContact CG2-CG2 4.04Å; D19-T25 CarbonylContact O-C 3.48Å; D19-T25 VanDerWaalsContact O-CA 3.27Å; D19-T25 WeakPolarHBondContact O-CA 3.28Å; D19-T25 WeakPolarHBondContact O-CG2 3.48Å; L20-T25 HydrophobicContact CD2-CG2 3.77Å; T25-I38 WeakPolarHBondContact O-CA 3.26Å; T25-I39 PolarHBondContact N-O 2.89Å; T25-I39 PolarHBondContact O-N 2.86Å; T25-S41 PolarHBondContact N-OG 3.21Å; T25-S41 VanDerWaalsContact N-OG 3.14Å; T25-S41 PolarHBondContact OG1-OG 3.4Å; T25-F71 HydrophobicContact CG2-CE1 3.97Å; T25-F71 HydrophobicContact CG2-CZ 3.91Å; T25-F71 WeakPolarHBondContact OG1-CZ 3.23Å; T25-L75 HydrophobicContact CG2-CD1 3.92Å |
| 26 | K | 94.3 | Very high | 91 | Very high | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 133.4 | 177 | -53.8 | 152.6 | -177.9 | 47 | 0 | 108.5 | D19 P35 I38 N351 W355 | D19-K26 HydrophobicContact CB-CB 4.17Å; D19-K26 HydrophobicContact CB-CD 4.44Å; D19-K26 PolarHBondContact N-O 3.31Å; D19-K26 PolarHBondContact O-N 3.26Å; K26-P35 HydrophobicContact CB-CB 4.04Å; K26-P35 HydrophobicContact CB-CG 4.39Å; K26-I38 HydrophobicContact CG-CD1 4.44Å; K26-I38 HydrophobicContact CG-CG1 4.06Å; K26-I38 HydrophobicContact CG-CG2 4.06Å; K26-N351 VanDerWaalsContact CE-CG 3.5Å; K26-N351 WeakPolarHBondContact CE-O 3.48Å; K26-N351 WeakPolarHBondContact CE-OD1 2.86Å; K26-N351 PolarHBondContact NZ-OD1 3.37Å; K26-W355 HydrophobicContact CB-CB 4.46Å; K26-W355 HydrophobicContact CB-CG 4.17Å; K26-W355 HydrophobicContact CD-CB 4.24Å |
| 27 | C | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150.6 | 179.4 | 68.1 | 0 | 0 | 0 | 0 | 112.2 | V17 R36 F37 L75 L80 | V17-C27 WeakPolarHBondContact O-CA 3.11Å; C27-R36 PolarHBondContact O-N 3.08Å; C27-F37 PolarHBondContact N-O 3.25Å; C27-F37 PolarHBondContact O-N 2.68Å; C27-F37 VanDerWaalsContact O-N 3.15Å; C27-L75 HydrophobicContact CB-CD1 4.12Å; C27-L75 HydrophobicContact CB-CD2 4.09Å; C27-L75 HydrophobicContact CB-CG 4.19Å; C27-L80 HydrophobicContact CB-CD2 4.26Å |
| 28 | G | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | -157.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V17 | V17-G28 PolarHBondContact N-O 2.75Å; V17-G28 PolarHBondContact O-N 3.17Å; V17-G28 VanDerWaalsContact O-N 3.14Å |
| 29 | F | 91.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151.2 | -176.9 | -62.3 | -89.3 | 0 | 0 | 0 | 112.2 | A15 V16 E32 R36 L80 V82 | A15-F29 WeakPolarHBondContact O-CA 3.38Å; V16-F29 HydrophobicContact CG2-CD1 4.35Å; V16-F29 HydrophobicContact CG2-CE1 4.1Å; F29-E32 HydrophobicContact CB-CG 4.19Å; F29-E32 PolarHBondContact N-OE2 3Å; F29-E32 VanDerWaalsContact N-OE2 3.08Å; F29-E32 PolarHBondContact O-N 2.96Å; F29-R36 VanDerWaalsContact CD2-CZ 3.41Å; F29-R36 VanDerWaalsContact CE2-CZ 3.48Å; F29-R36 VanDerWaalsContact CE2-NH1 3.29Å; F29-L80 HydrophobicContact CE2-CD2 4.1Å; F29-L80 HydrophobicContact CZ-CB 4.41Å; F29-L80 HydrophobicContact CZ-CD2 4.35Å; F29-V82 HydrophobicContact CE1-CG1 4.13Å; F29-V82 HydrophobicContact CE1-CG2 4.14Å; F29-V82 HydrophobicContact CZ-CG1 3.78Å; F29-V82 HydrophobicContact CZ-CG2 4.03Å |
| 30 | A | 90.3 | Very high | 90.7 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 141.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A15 V17 E32 G362 | A15-A30 HydrophobicContact CB-CB 4.09Å; A15-A30 PolarHBondContact O-N 2.86Å; V17-A30 HydrophobicContact CG2-CB 4.14Å; A30-E32 VanDerWaalsContact C-N 3.33Å; A30-G362 VanDerWaalsContact CB-C 3.5Å |
| 31 | G | 86.4 | Confident | 90.6 | Very high | 57 Ų | 57 | 35.8 Ų | 35.8 | 59% | 0.588 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -6.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A359 | G31-A359 PolarHBondContact N-O 2.84Š|
| 32 | E | 89.4 | Confident | 90.7 | Very high | 46 Ų | 46 | 37 Ų | 37 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | trans | -82.8 | 148.5 | 174.2 | -62.5 | -176.4 | 147.3 | 0 | 0 | 111.7 | F29 A30 G34 R36 W355 | F29-E32 HydrophobicContact CB-CG 4.19Å; F29-E32 PolarHBondContact N-OE2 3Å; F29-E32 VanDerWaalsContact N-OE2 3.08Å; F29-E32 PolarHBondContact O-N 2.96Å; A30-E32 VanDerWaalsContact C-N 3.33Å; E32-G34 PolarHBondContact O-N 2.87Å; E32-R36 IonicContact OE1-CZ 3.76Å; E32-R36 IonicContact OE1-NE 3.55Å; E32-R36 PolarHBondContact OE1-NE 3.17Å; E32-R36 IonicContact OE1-NH2 2.8Å; E32-R36 PolarHBondContact OE1-NH2 3.37Å; E32-R36 VanDerWaalsContact OE2-CG 3.28Å; E32-R36 WeakPolarHBondContact OE2-CG 3.45Å; E32-R36 IonicContact OE2-NE 3Å; E32-R36 PolarHBondContact OE2-NE 3.22Å; E32-W355 HydrophobicContact CB-CH2 4.18Å | ||
| 33 | T | 86.4 | Confident | 90.7 | Very high | 133 Ų | 133 | 36.7 Ų | 36.7 | 82% | 0.816 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -76.9 | -8.7 | -177 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 34 | G | 89.6 | Confident | 90.5 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -168 | 160.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E32 W355 | E32-G34 PolarHBondContact O-N 2.87Å; G34-W355 VanDerWaalsContact C-CH2 3.4Å; G34-W355 VanDerWaalsContact CA-CZ3 3.46Å; G34-W355 VanDerWaalsContact O-CH2 3.22Å; G34-W355 WeakPolarHBondContact O-CH2 3.32Å; G34-W355 VanDerWaalsContact O-CZ3 3.31Å; G34-W355 WeakPolarHBondContact O-CZ3 3.4Å |
| 35 | P | 92.6 | Very high | 89.8 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 18% | 0.175 | 23% | 0.233 | C | C | . | . | trans | -65.4 | 141.5 | -179.3 | 27.3 | -33.3 | 0 | 0 | 0 | 110.1 | K26 I38 C352 W355 | K26-P35 HydrophobicContact CB-CB 4.04Å; K26-P35 HydrophobicContact CB-CG 4.39Å; P35-I38 HydrophobicContact CB-CG1 4.42Å; P35-I38 HydrophobicContact CG-CD1 4.03Å; P35-I38 HydrophobicContact CG-CG1 3.96Å; P35-C352 HydrophobicContact CG-CB 4.46Å; P35-W355 HydrophobicContact CB-CD2 3.72Å; P35-W355 HydrophobicContact CB-CE3 4.04Å; P35-W355 HydrophobicContact CB-CG 4.17Å; P35-W355 HydrophobicContact CB-CH2 4.45Å; P35-W355 HydrophobicContact CB-CZ2 4.16Å; P35-W355 HydrophobicContact CB-CZ3 4.42Å; P35-W355 HydrophobicContact CG-CD2 4.27Å; P35-W355 HydrophobicContact CG-CE3 4.29Å | ||
| 36 | R | 90.4 | Very high | 88.9 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 27% | 0.272 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -70.7 | -40.4 | 176 | -69.5 | -168.2 | 175.1 | -175.8 | 3 | 111.9 | F4 C27 F29 E32 | F4-R36 PolarHBondContact O-NH2 2.73Å; C27-R36 PolarHBondContact O-N 3.08Å; F29-R36 VanDerWaalsContact CD2-CZ 3.41Å; F29-R36 VanDerWaalsContact CE2-CZ 3.48Å; F29-R36 VanDerWaalsContact CE2-NH1 3.29Å; E32-R36 IonicContact OE1-CZ 3.76Å; E32-R36 IonicContact OE1-NE 3.55Å; E32-R36 PolarHBondContact OE1-NE 3.17Å; E32-R36 IonicContact OE1-NH2 2.8Å; E32-R36 PolarHBondContact OE1-NH2 3.37Å; E32-R36 VanDerWaalsContact OE2-CG 3.28Å; E32-R36 WeakPolarHBondContact OE2-CG 3.45Å; E32-R36 IonicContact OE2-NE 3Å; E32-R36 PolarHBondContact OE2-NE 3.22Å |
| 37 | F | 92.4 | Very high | 87.8 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 137.5 | -178.5 | -59.1 | -80.1 | 0 | 0 | 0 | 110.5 | C27 I39 H79 | C27-F37 PolarHBondContact N-O 3.25Å; C27-F37 PolarHBondContact O-N 2.68Å; C27-F37 VanDerWaalsContact O-N 3.15Å; F37-I39 HydrophobicContact CB-CG2 4.37Å; F37-H79 HydrophobicContact CB-CB 4.41Å; F37-H79 AromaticContact CD1-ND1 3.91Å; F37-H79 HydrophobicContact CD2-CB 3.76Å; F37-H79 HydrophobicContact CE2-CB 4.17Å; F37-H79 WeakPolarHBondContact CE2-O 3.42Å; F37-H79 HydrophobicContact CG-CB 4.04Å; F37-H79 AromaticContact CG-ND1 3.95Å |
| 38 | I | 93 | Very high | 87 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 41% | 0.41 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 112.8 | 169.2 | -52.5 | -177.6 | 0 | 0 | 0 | 105.2 | Y24 T25 K26 P35 | Y24-I38 HydrophobicContact CD1-CG2 4.09Å; Y24-I38 HydrophobicContact CG-CG2 4.39Å; T25-I38 WeakPolarHBondContact O-CA 3.26Å; K26-I38 HydrophobicContact CG-CD1 4.44Å; K26-I38 HydrophobicContact CG-CG1 4.06Å; K26-I38 HydrophobicContact CG-CG2 4.06Å; P35-I38 HydrophobicContact CB-CG1 4.42Å; P35-I38 HydrophobicContact CG-CD1 4.03Å; P35-I38 HydrophobicContact CG-CG1 3.96Å |
| 39 | I | 92.4 | Very high | 85.7 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 9% | 0.087 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 147.7 | -175.8 | 60.8 | 176 | 0 | 0 | 0 | 109.6 | Y24 T25 F37 F71 | Y24-I39 CarbonylContact C-O 3.59Å; Y24-I39 WeakPolarHBondContact CA-O 3.12Å; T25-I39 PolarHBondContact N-O 2.89Å; T25-I39 PolarHBondContact O-N 2.86Å; F37-I39 HydrophobicContact CB-CG2 4.37Å; I39-F71 HydrophobicContact CD1-CE2 3.79Å; I39-F71 HydrophobicContact CD1-CZ 3.77Å; I39-F71 HydrophobicContact CG1-CE2 4.43Å; I39-F71 HydrophobicContact CG1-CZ 4.25Å |
| 40 | P | 90.7 | Very high | 84.8 | Confident | 66 Ų | 66 | 73.1 Ų | 73.1 | 43% | 0.429 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 140.7 | 169.4 | 26.8 | -33.2 | 0 | 0 | 0 | 109.4 | A23 E42 | A23-P40 WeakPolarHBondContact O-CA 3.42Å; P40-E42 HydrophobicContact CB-CG 4.39Å; P40-E42 PolarHBondContact O-N 3.46Å |
| 41 | S | 89.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -78.9 | 51.1 | 179.6 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | G21 A23 T25 V54 | G21-S41 VanDerWaalsContact O-CB 3.26Å; G21-S41 WeakPolarHBondContact O-CB 3.36Å; G21-S41 PolarHBondContact O-OG 2.8Å; A23-S41 PolarHBondContact O-N 3.47Å; T25-S41 PolarHBondContact N-OG 3.21Å; T25-S41 VanDerWaalsContact N-OG 3.14Å; T25-S41 PolarHBondContact OG1-OG 3.4Å; S41-V54 PolarHBondContact O-N 3.46Å |
| 42 | E | 89.2 | Confident | 84.1 | Confident | 48 Ų | 48 | 74 Ų | 74 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147.7 | -173.1 | -55.9 | -168 | 166.5 | 0 | 0 | 111 | P40 S51 I52 K53 | P40-E42 HydrophobicContact CB-CG 4.39Å; P40-E42 PolarHBondContact O-N 3.46Å; E42-S51 WeakPolarHBondContact OE2-CB 3.36Å; E42-S51 PolarHBondContact OE2-OG 3.39Å; E42-I52 CarbonylContact C-O 3.54Å; E42-I52 VanDerWaalsContact CA-O 3.32Å; E42-I52 WeakPolarHBondContact CA-O 3.36Å; E42-K53 HydrophobicContact CG-CG 4.2Å; E42-K53 WeakPolarHBondContact OE1-CE 3.3Å |
| 43 | I | 86.6 | Confident | 83.9 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.6 | 173.8 | 53.7 | 170 | 0 | 0 | 0 | 109.9 | I52 V54 N67 F71 | I43-I52 HydrophobicContact CG1-CB 4.03Å; I43-I52 WeakPolarHBondContact CG1-O 3.4Å; I43-I52 PolarHBondContact N-O 2.81Å; I43-I52 PolarHBondContact O-N 3.2Å; I43-V54 HydrophobicContact CB-CG2 4.37Å; I43-V54 HydrophobicContact CG1-CG2 4.2Å; I43-V54 HydrophobicContact CG2-CG2 3.64Å; I43-N67 HydrophobicContact CD1-CB 3.76Å; I43-F71 HydrophobicContact CG2-CB 3.81Å; I43-F71 HydrophobicContact CG2-CD2 3.96Å; I43-F71 HydrophobicContact CG2-CG 4.38Å |
| 44 | Q | 82.7 | Confident | 83.7 | Confident | 153 Ų | 153 | 68 Ų | 68 | 72% | 0.715 | 37% | 0.371 | S | S | * | . | trans | -105.8 | 105.4 | 173.8 | -170.2 | 177.4 | 28.5 | 0 | 0 | 108.6 | ||||
| 45 | K | 77.8 | Confident | 83.3 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 20% | 0.204 | 36% | 0.362 | C | S | . | . | trans | -78.3 | 138.5 | 177.1 | -71.9 | -173.7 | -178.9 | 173 | 0 | 110.5 | G47 Q48 I52 N67 | K45-G47 PolarHBondContact O-N 2.97Å; K45-G47 VanDerWaalsContact O-N 3.1Å; K45-Q48 PolarHBondContact O-N 3.41Å; K45-Q48 VanDerWaalsContact O-N 3.11Å; K45-I52 HydrophobicContact CD-CD1 4Å; K45-I52 HydrophobicContact CG-CD1 4.46Å; K45-N67 VanDerWaalsContact CE-OD1 3.32Å; K45-N67 WeakPolarHBondContact CE-OD1 3.4Å; K45-N67 PolarHBondContact NZ-OD1 3.41Å | ||
| 46 | P | 74.4 | Confident | 82.8 | Confident | 128 Ų | 128 | 69.4 Ų | 69.4 | 83% | 0.831 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 117.5 | 175.8 | 24.2 | -31.8 | 0 | 0 | 0 | 109.9 | ||
| 47 | G | 71.8 | Confident | 82.2 | Confident | 88 Ų | 88 | 70.6 Ų | 70.6 | 91% | 0.907 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.8 | -4.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K45 | K45-G47 PolarHBondContact O-N 2.97Å; K45-G47 VanDerWaalsContact O-N 3.1Å |
| 48 | Q | 76.1 | Confident | 81.5 | Confident | 99 Ų | 99 | 75 Ų | 75 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | trans | -105.7 | 134.6 | 169.3 | -82.4 | 175.8 | -37.3 | 0 | 0 | 111.1 | K45 | K45-Q48 PolarHBondContact O-N 3.41Å; K45-Q48 VanDerWaalsContact O-N 3.11Å | ||
| 49 | Q | 66.1 | Low | 81.1 | Confident | 198 Ų | 198 | 72.7 Ų | 72.7 | 93% | 0.925 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -82.5 | -18.8 | -177.8 | -156.2 | 169.4 | 4.5 | 0 | 0 | 112.6 | ||
| 50 | Q | 72 | Confident | 81 | Confident | 161 Ų | 161 | 76.3 Ų | 76.3 | 75% | 0.752 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -107.4 | 139.4 | 176.7 | -71.5 | -179 | -3.9 | 0 | 0 | 110.8 | ||
| 51 | S | 79.6 | Confident | 80.8 | Confident | 55 Ų | 55 | 76.5 Ų | 76.5 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 141.8 | 171.4 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | E42 | E42-S51 WeakPolarHBondContact OE2-CB 3.36Å; E42-S51 PolarHBondContact OE2-OG 3.39Å |
| 52 | I | 83.6 | Confident | 80.8 | Confident | 29 Ų | 29 | 83.5 Ų | 83.5 | 15% | 0.149 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.4 | 177 | -61.6 | 170.1 | 0 | 0 | 0 | 108.3 | E42 I43 K45 V54 | E42-I52 CarbonylContact C-O 3.54Å; E42-I52 VanDerWaalsContact CA-O 3.32Å; E42-I52 WeakPolarHBondContact CA-O 3.36Å; I43-I52 HydrophobicContact CG1-CB 4.03Å; I43-I52 WeakPolarHBondContact CG1-O 3.4Å; I43-I52 PolarHBondContact N-O 2.81Å; I43-I52 PolarHBondContact O-N 3.2Å; K45-I52 HydrophobicContact CD-CD1 4Å; K45-I52 HydrophobicContact CG-CD1 4.46Å; I52-V54 PolarHBondContact O-N 3.49Å |
| 53 | K | 85.5 | Confident | 80.7 | Confident | 50 Ų | 50 | 85.5 Ų | 85.5 | 22% | 0.217 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 131.6 | 171.7 | -64.1 | -172.1 | 178.9 | -175.6 | 0 | 110.6 | E42 Q56 Y143 E204 | E42-K53 HydrophobicContact CG-CG 4.2Å; E42-K53 WeakPolarHBondContact OE1-CE 3.3Å; K53-Q56 WeakPolarHBondContact O-CG 3.43Å; K53-Q56 PolarHBondContact O-NE2 3.48Å; K53-Y143 PolarHBondContact NZ-OH 2.9Å; K53-Y143 VanDerWaalsContact NZ-OH 3.11Å; K53-E204 WeakPolarHBondContact CE-OE2 3.37Å; K53-E204 IonicContact NZ-OE1 2.98Å; K53-E204 PolarHBondContact NZ-OE1 2.91Å; K53-E204 IonicContact NZ-OE2 3.43Å; K53-E204 PolarHBondContact NZ-OE2 2.94Å |
| 54 | V | 82.8 | Confident | 80.8 | Confident | 1 Ų | 1 | 85.2 Ų | 85.2 | 1% | 0.006 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -78.1 | -39.7 | -175.4 | 177 | 0 | 0 | 0 | 0 | 111.6 | S41 I43 I52 Q56 L68 F71 | S41-V54 PolarHBondContact O-N 3.46Å; I43-V54 HydrophobicContact CB-CG2 4.37Å; I43-V54 HydrophobicContact CG1-CG2 4.2Å; I43-V54 HydrophobicContact CG2-CG2 3.64Å; I52-V54 PolarHBondContact O-N 3.49Å; V54-Q56 PolarHBondContact O-N 3.06Å; V54-L68 HydrophobicContact CG1-CD2 3.76Å; V54-F71 HydrophobicContact CB-CG 4.35Å; V54-F71 HydrophobicContact CG1-CB 3.92Å; V54-F71 HydrophobicContact CG1-CD1 3.94Å; V54-F71 HydrophobicContact CG1-CG 3.89Å; V54-F71 HydrophobicContact CG2-CB 3.91Å; V54-F71 HydrophobicContact CG2-CD1 4.48Å; V54-F71 HydrophobicContact CG2-CD2 3.65Å; V54-F71 HydrophobicContact CG2-CE2 4.26Å; V54-F71 HydrophobicContact CG2-CG 3.76Å |
| 55 | V | 80.3 | Confident | 81.2 | Confident | 15 Ų | 15 | 81.1 Ų | 81.1 | 9% | 0.091 | 43% | 0.428 | C | S | . | . | trans | -87.8 | 89.7 | -178.9 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | G21 Y57 F101 | G21-V55 WeakPolarHBondContact O-CG2 3.4Å; V55-Y57 HydrophobicContact CG1-CE1 3.89Å; V55-Y57 HydrophobicContact CG1-CE2 4.3Å; V55-Y57 VanDerWaalsContact CG1-OH 3.26Å; V55-Y57 WeakPolarHBondContact CG1-OH 3.41Å; V55-F101 HydrophobicContact CG1-CE2 4.46Å; V55-F101 HydrophobicContact CG1-CZ 4.41Å; V55-F101 HydrophobicContact CG2-CZ 4.33Å | ||
| 56 | Q | 81.4 | Confident | 81.9 | Confident | 68 Ų | 68 | 81.7 Ų | 81.7 | 32% | 0.318 | 44% | 0.438 | S | S | . | . | trans | -120.5 | 139.5 | 175.2 | -65.9 | -178.1 | 5.1 | 0 | 0 | 110.3 | K53 V54 | K53-Q56 WeakPolarHBondContact O-CG 3.43Å; K53-Q56 PolarHBondContact O-NE2 3.48Å; V54-Q56 PolarHBondContact O-N 3.06Å | ||
| 57 | Y | 77.9 | Confident | 82.7 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 38% | 0.38 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -109.3 | 132.8 | 177.4 | -48.5 | -59.1 | 0 | 0 | 0 | 107.7 | V55 P98 F101 | V55-Y57 HydrophobicContact CG1-CE1 3.89Å; V55-Y57 HydrophobicContact CG1-CE2 4.3Å; V55-Y57 VanDerWaalsContact CG1-OH 3.26Å; V55-Y57 WeakPolarHBondContact CG1-OH 3.41Å; Y57-P98 HydrophobicContact CD1-CG 3.72Å; Y57-P98 HydrophobicContact CE1-CG 4.23Å; Y57-P98 HydrophobicContact CG-CG 4.17Å; Y57-F101 HydrophobicContact CE1-CG 4.48Å |
| 58 | N | 78.5 | Confident | 83.6 | Confident | 168 Ų | 168 | 71.5 Ų | 71.5 | 90% | 0.898 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 80.4 | 38.5 | -176.7 | -44 | -36.6 | 0 | 0 | 0 | 116.6 | ||
| 59 | I | 84.3 | Confident | 84.4 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | trans | -104.8 | 164.8 | 171.6 | -170.3 | 169.9 | 0 | 0 | 0 | 110.9 | E63 L64 | I59-E63 HydrophobicContact CD1-CB 4.09Å; I59-E63 VanDerWaalsContact CD1-CD 3.43Å; I59-E63 HydrophobicContact CD1-CG 3.66Å; I59-E63 HydrophobicContact CG1-CB 4.16Å; I59-E63 HydrophobicContact CG1-CG 4.22Å; I59-L64 HydrophobicContact CG2-CB 3.68Å; I59-L64 HydrophobicContact CG2-CD1 4Å; I59-L64 HydrophobicContact CG2-CD2 4.24Å; I59-L64 HydrophobicContact CG2-CG 4.17Å | ||
| 60 | N | 89.6 | Confident | 85.7 | Confident | 93 Ų | 93 | 64 Ų | 64 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | trans | -61.1 | 142.8 | 171.3 | -171.9 | 19.1 | 0 | 0 | 0 | 111.5 | E62 E63 L64 | N60-E62 VanDerWaalsContact C-N 3.34Å; N60-E62 PolarHBondContact O-N 3.35Å; N60-E63 HydrophobicContact CB-CB 4.38Å; N60-E63 PolarHBondContact O-N 3.36Å; N60-L64 PolarHBondContact O-N 3.23Å | ||
| 61 | T | 87.3 | Confident | 86.6 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | -173.9 | 70.9 | 0 | 0 | 0 | 0 | 113 | Y65 H100 | T61-Y65 VanDerWaalsContact O-CB 3.28Å; T61-Y65 WeakPolarHBondContact O-CB 3.48Å; T61-Y65 PolarHBondContact O-N 3.48Å; T61-H100 WeakPolarHBondContact CG2-CE1 3.37Å |
| 62 | E | 88.9 | Confident | 87.3 | Confident | 146 Ų | 146 | 54.2 Ų | 54.2 | 68% | 0.682 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -71.8 | -38.4 | -179.8 | -63.4 | -177.8 | 171.4 | 0 | 0 | 112 | N60 Y65 S66 | N60-E62 VanDerWaalsContact C-N 3.34Å; N60-E62 PolarHBondContact O-N 3.35Å; E62-Y65 PolarHBondContact O-N 3.5Å; E62-S66 WeakPolarHBondContact O-CB 3.03Å; E62-S66 PolarHBondContact O-N 3.32Å |
| 63 | E | 88.2 | Confident | 87.7 | Confident | 91 Ų | 91 | 57.4 Ų | 57.4 | 43% | 0.425 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.9 | -44.8 | 177.7 | -172 | 175.8 | -177.3 | 0 | 0 | 110.7 | I59 N60 Y65 S66 N67 | I59-E63 HydrophobicContact CD1-CB 4.09Å; I59-E63 VanDerWaalsContact CD1-CD 3.43Å; I59-E63 HydrophobicContact CD1-CG 3.66Å; I59-E63 HydrophobicContact CG1-CB 4.16Å; I59-E63 HydrophobicContact CG1-CG 4.22Å; N60-E63 HydrophobicContact CB-CB 4.38Å; N60-E63 PolarHBondContact O-N 3.36Å; E63-Y65 VanDerWaalsContact C-N 3.3Å; E63-Y65 PolarHBondContact O-N 3.43Å; E63-S66 PolarHBondContact O-N 3.29Å; E63-N67 WeakPolarHBondContact O-CB 3.05Å; E63-N67 PolarHBondContact O-N 3.41Å; E63-N67 PolarHBondContact O-ND2 3.35Å; E63-N67 PolarHBondContact O-OD1 2.96Å |
| 64 | L | 88.4 | Confident | 88 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 173 | -173.6 | 58.2 | 0 | 0 | 0 | 111.6 | I59 N60 S66 N67 L68 F101 T104 | I59-L64 HydrophobicContact CG2-CB 3.68Å; I59-L64 HydrophobicContact CG2-CD1 4Å; I59-L64 HydrophobicContact CG2-CD2 4.24Å; I59-L64 HydrophobicContact CG2-CG 4.17Å; N60-L64 PolarHBondContact O-N 3.23Å; L64-S66 VanDerWaalsContact C-N 3.35Å; L64-S66 PolarHBondContact O-N 3.29Å; L64-N67 PolarHBondContact O-N 3.38Å; L64-L68 HydrophobicContact CD1-CD1 4.06Å; L64-L68 HydrophobicContact CD1-CG 4.18Å; L64-L68 HydrophobicContact CG-CD1 3.89Å; L64-L68 HydrophobicContact CG-CG 4.41Å; L64-L68 WeakPolarHBondContact O-CB 3.18Å; L64-L68 VanDerWaalsContact O-CG 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.31Å; L64-L68 PolarHBondContact O-N 3.23Å; L64-F101 HydrophobicContact CD1-CD2 4.09Å; L64-F101 HydrophobicContact CD1-CE2 4.1Å; L64-F101 HydrophobicContact CD2-CD2 4.07Å; L64-T104 HydrophobicContact CB-CG2 4.19Å; L64-T104 HydrophobicContact CD2-CG2 3.98Å; L64-T104 HydrophobicContact CG-CG2 3.91Å |
| 65 | Y | 91.3 | Very high | 88.4 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 26% | 0.259 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.6 | -177.3 | -90.2 | 0 | 0 | 0 | 111.8 | T61 E62 E63 K69 T104 K107 V108 | T61-Y65 VanDerWaalsContact O-CB 3.28Å; T61-Y65 WeakPolarHBondContact O-CB 3.48Å; T61-Y65 PolarHBondContact O-N 3.48Å; E62-Y65 PolarHBondContact O-N 3.5Å; E63-Y65 VanDerWaalsContact C-N 3.3Å; E63-Y65 PolarHBondContact O-N 3.43Å; Y65-K69 VanDerWaalsContact O-CB 3.25Å; Y65-K69 WeakPolarHBondContact O-CB 3.47Å; Y65-K69 PolarHBondContact O-N 2.77Å; Y65-T104 HydrophobicContact CD2-CG2 4.38Å; Y65-K107 HydrophobicContact CD2-CB 4.38Å; Y65-K107 HydrophobicContact CE2-CB 4.09Å; Y65-V108 HydrophobicContact CD2-CG2 3.38Å; Y65-V108 HydrophobicContact CE2-CB 4.25Å; Y65-V108 HydrophobicContact CE2-CG2 3.46Å; Y65-V108 VanDerWaalsContact CE2-CG2 3.46Å; Y65-V108 HydrophobicContact CG-CG2 4.06Å |
| 66 | S | 91.6 | Very high | 88.9 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 42% | 0.42 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 177.3 | -167.2 | 0 | 0 | 0 | 0 | 111.8 | E62 E63 L64 L68 K69 E70 | E62-S66 WeakPolarHBondContact O-CB 3.03Å; E62-S66 PolarHBondContact O-N 3.32Å; E63-S66 PolarHBondContact O-N 3.29Å; L64-S66 VanDerWaalsContact C-N 3.35Å; L64-S66 PolarHBondContact O-N 3.29Å; S66-L68 PolarHBondContact O-N 3.33Å; S66-K69 WeakPolarHBondContact O-CB 3.22Å; S66-K69 PolarHBondContact O-N 2.62Å; S66-E70 PolarHBondContact O-N 3.16Å |
| 67 | N | 91 | Very high | 89.4 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 179.9 | -65.5 | -10.9 | 0 | 0 | 0 | 111.6 | I43 K45 E63 L64 E70 F71 | I43-N67 HydrophobicContact CD1-CB 3.76Å; K45-N67 VanDerWaalsContact CE-OD1 3.32Å; K45-N67 WeakPolarHBondContact CE-OD1 3.4Å; K45-N67 PolarHBondContact NZ-OD1 3.41Å; E63-N67 WeakPolarHBondContact O-CB 3.05Å; E63-N67 PolarHBondContact O-N 3.41Å; E63-N67 PolarHBondContact O-ND2 3.35Å; E63-N67 PolarHBondContact O-OD1 2.96Å; L64-N67 PolarHBondContact O-N 3.38Å; N67-E70 PolarHBondContact O-N 3.49Å; N67-F71 WeakPolarHBondContact O-CB 3.44Å; N67-F71 PolarHBondContact O-N 2.81Å |
| 68 | L | 91.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -39 | 176.3 | -75.2 | 172.5 | 0 | 0 | 0 | 112 | V54 L64 S66 F71 I72 F101 T104 L105 V108 | V54-L68 HydrophobicContact CG1-CD2 3.76Å; L64-L68 HydrophobicContact CD1-CD1 4.06Å; L64-L68 HydrophobicContact CD1-CG 4.18Å; L64-L68 HydrophobicContact CG-CD1 3.89Å; L64-L68 HydrophobicContact CG-CG 4.41Å; L64-L68 WeakPolarHBondContact O-CB 3.18Å; L64-L68 VanDerWaalsContact O-CG 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.31Å; L64-L68 PolarHBondContact O-N 3.23Å; S66-L68 PolarHBondContact O-N 3.33Å; L68-F71 PolarHBondContact O-N 2.92Å; L68-I72 VanDerWaalsContact O-CB 3.31Å; L68-I72 WeakPolarHBondContact O-CB 3.47Å; L68-I72 WeakPolarHBondContact O-CD1 3.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.4Å; L68-I72 PolarHBondContact O-N 3.01Å; L68-F101 HydrophobicContact CD1-CE2 4.31Å; L68-F101 HydrophobicContact CD2-CE2 4.08Å; L68-F101 HydrophobicContact CD2-CZ 4.02Å; L68-T104 HydrophobicContact CD1-CG2 4.09Å; L68-L105 HydrophobicContact CD1-CB 4.18Å; L68-V108 HydrophobicContact CB-CG2 4.02Å |
| 69 | K | 93.1 | Very high | 90.3 | Very high | 79 Ų | 79 | 56.7 Ų | 56.7 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 176.5 | 170.3 | 175.2 | 172.2 | 173.6 | 0 | 111.5 | Y65 S66 H73 V108 Q112 | Y65-K69 VanDerWaalsContact O-CB 3.25Å; Y65-K69 WeakPolarHBondContact O-CB 3.47Å; Y65-K69 PolarHBondContact O-N 2.77Å; S66-K69 WeakPolarHBondContact O-CB 3.22Å; S66-K69 PolarHBondContact O-N 2.62Å; K69-H73 VanDerWaalsContact O-CB 3.22Å; K69-H73 WeakPolarHBondContact O-CB 3.48Å; K69-H73 PolarHBondContact O-N 2.98Å; K69-V108 HydrophobicContact CB-CG1 4.34Å; K69-Q112 HydrophobicContact CD-CG 3.88Å; K69-Q112 VanDerWaalsContact CE-OE1 3.3Å; K69-Q112 HydrophobicContact CG-CG 4.05Å; K69-Q112 VanDerWaalsContact NZ-CD 3.35Å |
| 70 | E | 91.8 | Very high | 90.5 | Very high | 61 Ų | 61 | 55.3 Ų | 55.3 | 29% | 0.285 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 178.7 | -174.1 | 173.7 | -176.5 | 0 | 0 | 111.6 | S66 N67 H73 T74 | S66-E70 PolarHBondContact O-N 3.16Å; N67-E70 PolarHBondContact O-N 3.49Å; E70-H73 PolarHBondContact O-N 2.94Å; E70-T74 PolarHBondContact O-N 3.27Å; E70-T74 PolarHBondContact O-OG1 3.14Å |
| 71 | F | 92.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 2% | 0.022 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -49.7 | 177.6 | -176.2 | -111.4 | 0 | 0 | 0 | 112.4 | L20 T25 I39 I43 V54 N67 L68 H73 T74 L75 | L20-F71 HydrophobicContact CD2-CD1 4.49Å; L20-F71 HydrophobicContact CD2-CE1 3.8Å; T25-F71 HydrophobicContact CG2-CE1 3.97Å; T25-F71 HydrophobicContact CG2-CZ 3.91Å; T25-F71 WeakPolarHBondContact OG1-CZ 3.23Å; I39-F71 HydrophobicContact CD1-CE2 3.79Å; I39-F71 HydrophobicContact CD1-CZ 3.77Å; I39-F71 HydrophobicContact CG1-CE2 4.43Å; I39-F71 HydrophobicContact CG1-CZ 4.25Å; I43-F71 HydrophobicContact CG2-CB 3.81Å; I43-F71 HydrophobicContact CG2-CD2 3.96Å; I43-F71 HydrophobicContact CG2-CG 4.38Å; V54-F71 HydrophobicContact CB-CG 4.35Å; V54-F71 HydrophobicContact CG1-CB 3.92Å; V54-F71 HydrophobicContact CG1-CD1 3.94Å; V54-F71 HydrophobicContact CG1-CG 3.89Å; V54-F71 HydrophobicContact CG2-CB 3.91Å; V54-F71 HydrophobicContact CG2-CD1 4.48Å; V54-F71 HydrophobicContact CG2-CD2 3.65Å; V54-F71 HydrophobicContact CG2-CE2 4.26Å; V54-F71 HydrophobicContact CG2-CG 3.76Å; N67-F71 WeakPolarHBondContact O-CB 3.44Å; N67-F71 PolarHBondContact O-N 2.81Å; L68-F71 PolarHBondContact O-N 2.92Å; F71-H73 VanDerWaalsContact C-N 3.31Å; F71-H73 PolarHBondContact O-N 3.1Å; F71-T74 WeakPolarHBondContact O-CB 3.37Å; F71-T74 PolarHBondContact O-N 3.15Å; F71-L75 HydrophobicContact CE1-CD1 4.2Å; F71-L75 WeakPolarHBondContact O-CB 3.16Å; F71-L75 PolarHBondContact O-N 2.92Å |
| 72 | I | 93.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -36.9 | 179.6 | -67.1 | 166.7 | 0 | 0 | 0 | 110.6 | L68 T74 L75 Y76 V108 F109 F113 | L68-I72 VanDerWaalsContact O-CB 3.31Å; L68-I72 WeakPolarHBondContact O-CB 3.47Å; L68-I72 WeakPolarHBondContact O-CD1 3.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.4Å; L68-I72 PolarHBondContact O-N 3.01Å; I72-T74 VanDerWaalsContact C-N 3.34Å; I72-T74 PolarHBondContact O-N 3Å; I72-L75 PolarHBondContact O-N 3.24Å; I72-Y76 HydrophobicContact CG2-CD2 3.64Å; I72-Y76 HydrophobicContact CG2-CE2 3.81Å; I72-Y76 WeakPolarHBondContact O-CD2 3.48Å; I72-Y76 PolarHBondContact O-N 2.93Å; I72-V108 HydrophobicContact CD1-CB 4.36Å; I72-V108 HydrophobicContact CD1-CG1 3.69Å; I72-F109 HydrophobicContact CD1-CD2 4.17Å; I72-F109 HydrophobicContact CD1-CE1 4.32Å; I72-F109 HydrophobicContact CD1-CE2 3.56Å; I72-F109 HydrophobicContact CD1-CZ 3.66Å; I72-F109 HydrophobicContact CG1-CE2 4.48Å; I72-F109 HydrophobicContact CG1-CZ 4.15Å; I72-F109 HydrophobicContact CG2-CE1 4.04Å; I72-F109 HydrophobicContact CG2-CZ 4.21Å; I72-F113 HydrophobicContact CB-CE2 3.74Å; I72-F113 HydrophobicContact CB-CZ 3.98Å; I72-F113 HydrophobicContact CG2-CD2 3.81Å; I72-F113 HydrophobicContact CG2-CE1 4.28Å; I72-F113 HydrophobicContact CG2-CE2 3.39Å; I72-F113 HydrophobicContact CG2-CG 4.43Å; I72-F113 HydrophobicContact CG2-CZ 3.64Å |
| 73 | H | 92.6 | Very high | 90.6 | Very high | 96 Ų | 96 | 49.2 Ų | 49.2 | 44% | 0.444 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 173.8 | -177 | -83.3 | 0 | 0 | 0 | 110.9 | K69 E70 F71 L75 Y76 F77 F113 | K69-H73 VanDerWaalsContact O-CB 3.22Å; K69-H73 WeakPolarHBondContact O-CB 3.48Å; K69-H73 PolarHBondContact O-N 2.98Å; E70-H73 PolarHBondContact O-N 2.94Å; F71-H73 VanDerWaalsContact C-N 3.31Å; F71-H73 PolarHBondContact O-N 3.1Å; H73-L75 VanDerWaalsContact C-N 3.34Å; H73-L75 PolarHBondContact O-N 3.35Å; H73-Y76 PolarHBondContact O-N 3.4Å; H73-F77 AromaticContact CD2-CD2 3.36Å; H73-F77 WeakPolarHBondContact CD2-CD2 3.5Å; H73-F77 AromaticContact CD2-CE2 3.43Å; H73-F77 VanDerWaalsContact CD2-CE2 3.43Å; H73-F77 WeakPolarHBondContact CD2-CE2 3.31Å; H73-F77 AromaticContact CE1-CD2 3.69Å; H73-F77 AromaticContact CG-CD2 3.71Å; H73-F77 AromaticContact ND1-CD2 3.9Å; H73-F77 AromaticContact NE2-CD2 3.36Å; H73-F77 WeakPolarHBondContact NE2-CD2 3.22Å; H73-F77 AromaticContact NE2-CE2 3.57Å; H73-F77 WeakPolarHBondContact O-CB 3.44Å; H73-F77 VanDerWaalsContact O-CD2 3.3Å; H73-F77 WeakPolarHBondContact O-CD2 3.28Å; H73-F77 PolarHBondContact O-N 2.94Å; H73-F113 HydrophobicContact CB-CE1 4.45Å; H73-F113 HydrophobicContact CB-CZ 4.1Å |
| 74 | T | 91.3 | Very high | 90.6 | Very high | 49 Ų | 49 | 45 Ų | 45 | 30% | 0.301 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | E70 F71 I72 Y76 R78 H79 | E70-T74 PolarHBondContact O-N 3.27Å; E70-T74 PolarHBondContact O-OG1 3.14Å; F71-T74 WeakPolarHBondContact O-CB 3.37Å; F71-T74 PolarHBondContact O-N 3.15Å; I72-T74 VanDerWaalsContact C-N 3.34Å; I72-T74 PolarHBondContact O-N 3Å; T74-Y76 PolarHBondContact O-N 2.97Å; T74-R78 HydrophobicContact CG2-CB 4.06Å; T74-R78 WeakPolarHBondContact O-CA 3.47Å; T74-R78 WeakPolarHBondContact O-CB 3.47Å; T74-R78 PolarHBondContact O-N 3.45Å; T74-H79 PolarHBondContact O-N 3.46Å |
| 75 | L | 91.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -58.6 | -48.3 | 178.6 | -168.9 | 152.7 | 0 | 0 | 0 | 112.2 | I18 T25 C27 F71 I72 H73 H79 L80 | I18-L75 HydrophobicContact CD1-CD2 4.05Å; I18-L75 HydrophobicContact CG1-CD2 4.45Å; I18-L75 HydrophobicContact CG2-CD1 4.08Å; T25-L75 HydrophobicContact CG2-CD1 3.92Å; C27-L75 HydrophobicContact CB-CD1 4.12Å; C27-L75 HydrophobicContact CB-CD2 4.09Å; C27-L75 HydrophobicContact CB-CG 4.19Å; F71-L75 HydrophobicContact CE1-CD1 4.2Å; F71-L75 WeakPolarHBondContact O-CB 3.16Å; F71-L75 PolarHBondContact O-N 2.92Å; I72-L75 PolarHBondContact O-N 3.24Å; H73-L75 VanDerWaalsContact C-N 3.34Å; H73-L75 PolarHBondContact O-N 3.35Å; L75-H79 WeakPolarHBondContact O-CB 3.28Å; L75-H79 PolarHBondContact O-N 3.26Å; L75-L80 HydrophobicContact CD2-CD1 3.44Å; L75-L80 VanDerWaalsContact CD2-CD1 3.44Å; L75-L80 HydrophobicContact CD2-CG 3.99Å; L75-L80 PolarHBondContact O-N 3.02Å |
| 76 | Y | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -75.3 | -47.2 | -179.4 | -85.2 | -88 | 0 | 0 | 0 | 113.5 | V16 I18 I72 H73 T74 L80 L81 V82 P84 V89 F109 | V16-Y76 HydrophobicContact CG1-CE1 4.44Å; V16-Y76 HydrophobicContact CG2-CE1 4.12Å; I18-Y76 HydrophobicContact CD1-CE2 4.23Å; I72-Y76 HydrophobicContact CG2-CD2 3.64Å; I72-Y76 HydrophobicContact CG2-CE2 3.81Å; I72-Y76 WeakPolarHBondContact O-CD2 3.48Å; I72-Y76 PolarHBondContact O-N 2.93Å; H73-Y76 PolarHBondContact O-N 3.4Å; T74-Y76 PolarHBondContact O-N 2.97Å; Y76-L80 HydrophobicContact CD1-CD1 4.19Å; Y76-L80 HydrophobicContact CE1-CD1 4.14Å; Y76-L81 WeakPolarHBondContact O-CA 3.14Å; Y76-L81 PolarHBondContact O-N 3.49Å; Y76-V82 HydrophobicContact CD1-CG2 4.07Å; Y76-V82 HydrophobicContact CE1-CG2 4.32Å; Y76-P84 HydrophobicContact CD1-CB 3.8Å; Y76-P84 HydrophobicContact CD1-CG 4.22Å; Y76-P84 HydrophobicContact CD2-CB 4.46Å; Y76-P84 HydrophobicContact CE1-CB 3.66Å; Y76-P84 HydrophobicContact CE2-CB 4.35Å; Y76-P84 HydrophobicContact CG-CB 4.2Å; Y76-P84 HydrophobicContact CG-CG 4.36Å; Y76-V89 WeakPolarHBondContact OH-CG2 3.46Å; Y76-F109 AromaticContact CE2-CE1 3.99Å; Y76-F109 HydrophobicContact CE2-CE1 3.99Å |
| 77 | F | 90.2 | Very high | 90.2 | Very high | 106 Ų | 106 | 49.8 Ų | 49.8 | 47% | 0.465 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -87.5 | -26.8 | -170.4 | -69.1 | -75.2 | 0 | 0 | 0 | 113.9 | H73 L81 F113 | H73-F77 AromaticContact CD2-CD2 3.36Å; H73-F77 WeakPolarHBondContact CD2-CD2 3.5Å; H73-F77 AromaticContact CD2-CE2 3.43Å; H73-F77 VanDerWaalsContact CD2-CE2 3.43Å; H73-F77 WeakPolarHBondContact CD2-CE2 3.31Å; H73-F77 AromaticContact CE1-CD2 3.69Å; H73-F77 AromaticContact CG-CD2 3.71Å; H73-F77 AromaticContact ND1-CD2 3.9Å; H73-F77 AromaticContact NE2-CD2 3.36Å; H73-F77 WeakPolarHBondContact NE2-CD2 3.22Å; H73-F77 AromaticContact NE2-CE2 3.57Å; H73-F77 WeakPolarHBondContact O-CB 3.44Å; H73-F77 VanDerWaalsContact O-CD2 3.3Å; H73-F77 WeakPolarHBondContact O-CD2 3.28Å; H73-F77 PolarHBondContact O-N 2.94Å; F77-L81 WeakPolarHBondContact O-CD2 3.43Å; F77-F113 HydrophobicContact CE2-CE1 4.41Å |
| 78 | R | 88.7 | Confident | 90.1 | Very high | 191 Ų | 191 | 53.1 Ų | 53.1 | 72% | 0.721 | 24% | 0.24 | S | C | * | . | I | π-helix | trans | -95.2 | -38.9 | 178.3 | -165.2 | 175.9 | -179 | 159.9 | -2 | 112.5 | T74 | T74-R78 HydrophobicContact CG2-CB 4.06Å; T74-R78 WeakPolarHBondContact O-CA 3.47Å; T74-R78 WeakPolarHBondContact O-CB 3.47Å; T74-R78 PolarHBondContact O-N 3.45Å |
| 79 | H | 87.9 | Confident | 90.1 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 17% | 0.167 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -101.1 | -61.6 | -173.8 | -60.9 | -76.1 | 0 | 0 | 0 | 112.7 | F37 T74 L75 L81 | F37-H79 HydrophobicContact CB-CB 4.41Å; F37-H79 AromaticContact CD1-ND1 3.91Å; F37-H79 HydrophobicContact CD2-CB 3.76Å; F37-H79 HydrophobicContact CE2-CB 4.17Å; F37-H79 WeakPolarHBondContact CE2-O 3.42Å; F37-H79 HydrophobicContact CG-CB 4.04Å; F37-H79 AromaticContact CG-ND1 3.95Å; T74-H79 PolarHBondContact O-N 3.46Å; L75-H79 WeakPolarHBondContact O-CB 3.28Å; L75-H79 PolarHBondContact O-N 3.26Å; H79-L81 PolarHBondContact O-N 3.05Å |
| 80 | L | 88.1 | Confident | 90.1 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -74.9 | -25.5 | -173.4 | -62.1 | 177.8 | 0 | 0 | 0 | 113.8 | V16 C27 F29 L75 Y76 V82 | V16-L80 HydrophobicContact CG1-CD1 3.43Å; V16-L80 VanDerWaalsContact CG1-CD1 3.43Å; V16-L80 HydrophobicContact CG2-CD1 4.36Å; C27-L80 HydrophobicContact CB-CD2 4.26Å; F29-L80 HydrophobicContact CE2-CD2 4.1Å; F29-L80 HydrophobicContact CZ-CB 4.41Å; F29-L80 HydrophobicContact CZ-CD2 4.35Å; L75-L80 HydrophobicContact CD2-CD1 3.44Å; L75-L80 VanDerWaalsContact CD2-CD1 3.44Å; L75-L80 HydrophobicContact CD2-CG 3.99Å; L75-L80 PolarHBondContact O-N 3.02Å; Y76-L80 HydrophobicContact CD1-CD1 4.19Å; Y76-L80 HydrophobicContact CE1-CD1 4.14Å; L80-V82 HydrophobicContact CB-CG2 3.84Å; L80-V82 PolarHBondContact O-N 3.32Å |
| 81 | L | 89.3 | Confident | 90.2 | Very high | 91 Ų | 91 | 46.7 Ų | 46.7 | 48% | 0.476 | 21% | 0.211 | S | C | . | . | trans | 54.5 | 36.3 | 179 | -60.8 | 167.3 | 0 | 0 | 0 | 113.3 | F4 Y76 F77 H79 | F4-L81 HydrophobicContact CD2-CB 4.16Å; F4-L81 HydrophobicContact CD2-CD1 4.2Å; F4-L81 HydrophobicContact CE2-CB 4.18Å; F4-L81 HydrophobicContact CE2-CD1 3.39Å; F4-L81 HydrophobicContact CE2-CG 4.39Å; F4-L81 HydrophobicContact CZ-CD1 3.92Å; Y76-L81 WeakPolarHBondContact O-CA 3.14Å; Y76-L81 PolarHBondContact O-N 3.49Å; F77-L81 WeakPolarHBondContact O-CD2 3.43Å; H79-L81 PolarHBondContact O-N 3.05Å | ||
| 82 | V | 88.5 | Confident | 90.2 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -131.2 | 153.4 | -180 | -65.7 | 0 | 0 | 0 | 0 | 111.5 | F29 Y76 L80 P84 | F29-V82 HydrophobicContact CE1-CG1 4.13Å; F29-V82 HydrophobicContact CE1-CG2 4.14Å; F29-V82 HydrophobicContact CZ-CG1 3.78Å; F29-V82 HydrophobicContact CZ-CG2 4.03Å; Y76-V82 HydrophobicContact CD1-CG2 4.07Å; Y76-V82 HydrophobicContact CE1-CG2 4.32Å; L80-V82 HydrophobicContact CB-CG2 3.84Å; L80-V82 PolarHBondContact O-N 3.32Å; V82-P84 WeakPolarHBondContact O-CD 3.35Å |
| 83 | N | 89.8 | Confident | 90 | Very high | 74 Ų | 74 | 46.9 Ų | 46.9 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | trans | -76.1 | 123.6 | 174.6 | -170.5 | -8.8 | 0 | 0 | 0 | 110.3 | R85 D86 | N83-R85 VanDerWaalsContact C-N 3.25Å; N83-R85 PolarHBondContact O-N 2.89Å; N83-R85 PolarHBondContact OD1-N 3.24Å; N83-D86 PolarHBondContact O-N 3.48Å | ||
| 84 | P | 88.8 | Confident | 89.7 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -63.3 | -24.9 | 177.4 | 21.7 | -31.7 | 0 | 0 | 0 | 114.5 | Y76 V82 D86 F113 V115 | Y76-P84 HydrophobicContact CD1-CB 3.8Å; Y76-P84 HydrophobicContact CD1-CG 4.22Å; Y76-P84 HydrophobicContact CD2-CB 4.46Å; Y76-P84 HydrophobicContact CE1-CB 3.66Å; Y76-P84 HydrophobicContact CE2-CB 4.35Å; Y76-P84 HydrophobicContact CG-CB 4.2Å; Y76-P84 HydrophobicContact CG-CG 4.36Å; V82-P84 WeakPolarHBondContact O-CD 3.35Å; P84-D86 PolarHBondContact O-N 3.19Å; P84-F113 HydrophobicContact CB-CB 4.11Å; P84-F113 HydrophobicContact CB-CD1 4.44Å; P84-F113 HydrophobicContact CG-CB 4.06Å; P84-F113 HydrophobicContact CG-CD1 3.72Å; P84-F113 HydrophobicContact CG-CG 4.3Å; P84-V115 HydrophobicContact CB-CG1 4.04Å |
| 85 | R | 89.2 | Confident | 89.4 | Confident | 130 Ų | 130 | 42.7 Ų | 42.7 | 49% | 0.491 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -67 | -21.8 | -179.3 | -68.4 | -177.8 | 173.8 | -179.3 | -5.6 | 114.2 | N83 F113 E114 | N83-R85 VanDerWaalsContact C-N 3.25Å; N83-R85 PolarHBondContact O-N 2.89Å; N83-R85 PolarHBondContact OD1-N 3.24Å; R85-F113 VanDerWaalsContact CG-O 3.26Å; R85-F113 WeakPolarHBondContact CG-O 3.33Å; R85-E114 HydrophobicContact CG-CB 4.19Å; R85-E114 IonicContact CZ-OE1 3.3Å; R85-E114 IonicContact CZ-OE2 3.73Å; R85-E114 VanDerWaalsContact CZ-OE2 3.3Å; R85-E114 IonicContact NE-OE2 3.22Å; R85-E114 PolarHBondContact NE-OE2 2.88Å; R85-E114 IonicContact NH2-OE1 3.17Å; R85-E114 PolarHBondContact NH2-OE1 3.44Å; R85-E114 IonicContact NH2-OE2 3.82Å; R85-E114 PolarHBondContact NH2-OE2 3.21Å |
| 86 | D | 87.3 | Confident | 89.1 | Confident | 82 Ų | 82 | 45.3 Ų | 45.3 | 44% | 0.439 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -91.8 | -12.9 | -170.5 | -76.7 | -7.9 | 0 | 0 | 0 | 113.6 | K13 N83 P84 | K13-D86 HydrophobicContact CD-CB 3.77Å; K13-D86 IonicContact NZ-OD1 3.75Å; K13-D86 IonicContact NZ-OD2 2.71Å; K13-D86 PolarHBondContact NZ-OD2 2.99Å; N83-D86 PolarHBondContact O-N 3.48Å; P84-D86 PolarHBondContact O-N 3.19Å |
| 87 | R | 86.4 | Confident | 88.8 | Confident | 16 Ų | 16 | 46 Ų | 46 | 6% | 0.06 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -135.7 | 143.4 | -165.7 | -67.3 | 175.2 | -175.8 | -89.6 | -0.6 | 111.2 | K13 T14 V16 P116 | K13-R87 HydrophobicContact CB-CG 3.81Å; K13-R87 HydrophobicContact CD-CG 4.35Å; T14-R87 WeakPolarHBondContact O-CD 3.44Å; T14-R87 PolarHBondContact O-NH1 3.03Å; T14-R87 PolarHBondContact OG1-NH1 3.42Å; V16-R87 HydrophobicContact CG2-CB 4.26Å; R87-P116 VanDerWaalsContact O-CD 3.23Å; R87-P116 WeakPolarHBondContact O-CD 3.47Å; R87-P116 WeakPolarHBondContact O-CG 3.27Å |
| 88 | R | 88.9 | Confident | 88.7 | Confident | 72 Ų | 72 | 43.5 Ų | 43.5 | 27% | 0.272 | 21% | 0.207 | S | C | . | . | trans | -72 | 152.7 | 172 | -57.9 | 179.3 | -168.4 | 158.5 | 10.6 | 109.9 | E12 A15 V16 P116 | E12-R88 IonicContact OE1-NH2 3.42Å; A15-R88 WeakPolarHBondContact CA-O 3.19Å; A15-R88 HydrophobicContact CB-CB 4.39Å; V16-R88 PolarHBondContact N-O 3.45Å; R88-P116 HydrophobicContact CG-CG 4.15Å | ||
| 89 | V | 91.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126.7 | -178.5 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | V16 I18 Y76 I91 F109 V115 S117 V118 L119 | V16-V89 WeakPolarHBondContact O-CA 3.46Å; I18-V89 HydrophobicContact CD1-CG1 3.88Å; I18-V89 HydrophobicContact CG1-CG1 4.29Å; Y76-V89 WeakPolarHBondContact OH-CG2 3.46Å; V89-I91 HydrophobicContact CG1-CD1 4.26Å; V89-I91 HydrophobicContact CG1-CG1 3.8Å; V89-F109 HydrophobicContact CG1-CE1 4.08Å; V89-F109 HydrophobicContact CG1-CZ 4.31Å; V89-F109 HydrophobicContact CG2-CD1 4.42Å; V89-F109 HydrophobicContact CG2-CE1 4.34Å; V89-V115 HydrophobicContact CG2-CB 4.28Å; V89-V115 HydrophobicContact CG2-CG1 3.99Å; V89-S117 PolarHBondContact N-O 3.41Å; V89-V118 WeakPolarHBondContact O-CA 3.39Å; V89-L119 PolarHBondContact O-N 3.45Å |
| 90 | L | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.7 | 168 | -179.4 | 70.9 | 0 | 0 | 0 | 108.6 | V16 V17 I18 L119 A121 G358 F361 | V16-L90 PolarHBondContact O-N 2.93Å; V17-L90 WeakPolarHBondContact CA-O 3.45Å; V17-L90 HydrophobicContact CG1-CD2 4.24Å; V17-L90 HydrophobicContact CG2-CB 4.31Å; V17-L90 HydrophobicContact CG2-CD2 4.19Å; I18-L90 PolarHBondContact N-O 3.02Å; L90-L119 HydrophobicContact CD1-CB 3.86Å; L90-L119 HydrophobicContact CD1-CD2 3.46Å; L90-L119 VanDerWaalsContact CD1-CD2 3.46Å; L90-L119 HydrophobicContact CD1-CG 3.65Å; L90-A121 HydrophobicContact CD1-CB 3.85Å; L90-G358 WeakPolarHBondContact CD2-O 3.49Å; L90-F361 HydrophobicContact CD1-CD1 4.4Å; L90-F361 HydrophobicContact CD2-CD1 4.49Å |
| 91 | I | 93.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.8 | -179.7 | -53.9 | -176.5 | 0 | 0 | 0 | 107.6 | I18 L20 V89 L105 F109 V118 L119 F120 A121 | I18-I91 CarbonylContact O-C 3.59Å; I18-I91 WeakPolarHBondContact O-CA 3.5Å; L20-I91 HydrophobicContact CD1-CG2 4.15Å; V89-I91 HydrophobicContact CG1-CD1 4.26Å; V89-I91 HydrophobicContact CG1-CG1 3.8Å; I91-L105 HydrophobicContact CD1-CD2 3.32Å; I91-L105 HydrophobicContact CD1-CG 4.44Å; I91-F109 HydrophobicContact CD1-CD2 3.79Å; I91-F109 HydrophobicContact CD1-CE2 3.41Å; I91-F109 VanDerWaalsContact CD1-CE2 3.41Å; I91-F109 HydrophobicContact CD1-CZ 3.99Å; I91-V118 HydrophobicContact CD1-CG1 3.8Å; I91-V118 HydrophobicContact CG1-CG1 4.3Å; I91-L119 PolarHBondContact N-O 3.06Å; I91-F120 HydrophobicContact CB-CD1 4.09Å; I91-F120 HydrophobicContact CB-CE1 4.12Å; I91-F120 HydrophobicContact CD1-CE1 4.12Å; I91-F120 HydrophobicContact CD1-CZ 4.24Å; I91-F120 HydrophobicContact CG2-CD1 4.18Å; I91-F120 HydrophobicContact CG2-CE1 4.05Å; I91-F120 WeakPolarHBondContact O-CA 3.27Å; I91-A121 PolarHBondContact O-N 2.8Å |
| 92 | I | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 120.9 | 174.2 | -58.8 | 158.5 | 0 | 0 | 0 | 106.7 | V17 I18 D19 L20 A121 M126 A354 W355 | V17-I92 HydrophobicContact CG1-CD1 3.68Å; V17-I92 HydrophobicContact CG1-CG1 4.41Å; I18-I92 PolarHBondContact O-N 3.22Å; D19-I92 HydrophobicContact CB-CB 4.12Å; D19-I92 HydrophobicContact CB-CD1 4.04Å; L20-I92 PolarHBondContact N-O 3.03Å; I92-A121 WeakPolarHBondContact CA-O 3.49Å; I92-M126 HydrophobicContact CG1-CG 4.43Å; I92-A354 WeakPolarHBondContact CD1-O 3.44Å; I92-A354 HydrophobicContact CG2-CB 4.31Å; I92-W355 HydrophobicContact CD1-CB 4.42Å |
| 93 | E | 89.4 | Confident | 88.6 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 7% | 0.065 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 158.6 | 177.7 | 65.6 | 176.4 | -179.4 | 0 | 0 | 110.8 | R102 F120 A121 P122 S123 | E93-R102 WeakPolarHBondContact OE1-CD 3.24Å; E93-R102 IonicContact OE1-NH1 2.89Å; E93-F120 HydrophobicContact CG-CB 4.47Å; E93-F120 HydrophobicContact CG-CD1 4.2Å; E93-F120 WeakPolarHBondContact OE2-CD1 3.11Å; E93-A121 PolarHBondContact N-O 2.91Å; E93-P122 WeakPolarHBondContact O-CA 3.46Å; E93-S123 PolarHBondContact O-N 3.14Å |
| 94 | S | 87.1 | Confident | 88.7 | Confident | 34 Ų | 34 | 32.9 Ų | 32.9 | 24% | 0.238 | 17% | 0.165 | C | C | . | . | trans | -72.8 | 145.6 | 163.5 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | L96 C97 L147 | S94-L96 PolarHBondContact O-N 3.32Å; S94-C97 WeakPolarHBondContact O-CB 3.36Å; S94-C97 PolarHBondContact O-N 3.22Å; S94-C97 VanDerWaalsContact O-N 3.11Å; S94-L147 WeakPolarHBondContact OG-CD2 3.42Å | ||
| 95 | I | 85.4 | Confident | 88.8 | Confident | 23 Ų | 23 | 32.9 Ų | 32.9 | 12% | 0.118 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -29.3 | -178.3 | -66.8 | 145.7 | 0 | 0 | 0 | 111.8 | C97 P122 L149 L158 | I95-C97 PolarHBondContact O-N 2.79Å; I95-P122 HydrophobicContact CD1-CB 3.81Å; I95-P122 HydrophobicContact CG1-CB 3.4Å; I95-L149 HydrophobicContact CD1-CD1 4.33Å; I95-L149 HydrophobicContact CD1-CD2 3.1Å; I95-L149 HydrophobicContact CD1-CG 4.25Å; I95-L158 HydrophobicContact CG2-CD2 3.77Å |
| 96 | L | 84.9 | Confident | 88.9 | Confident | 57 Ų | 57 | 26.8 Ų | 26.8 | 30% | 0.298 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 6 | -179.8 | -55.3 | -178.4 | 0 | 0 | 0 | 112.8 | S94 L147 W161 A163 | S94-L96 PolarHBondContact O-N 3.32Å; L96-L147 HydrophobicContact CD1-CD1 3.68Å; L96-L147 HydrophobicContact CD1-CD2 3.98Å; L96-L147 HydrophobicContact CD1-CG 4.47Å; L96-L147 HydrophobicContact CG-CD1 4.42Å; L96-L147 HydrophobicContact CG-CD2 4.09Å; L96-W161 HydrophobicContact CD1-CD2 4.27Å; L96-W161 HydrophobicContact CD1-CE3 3.61Å; L96-W161 HydrophobicContact CD1-CH2 3.91Å; L96-W161 HydrophobicContact CD1-CZ3 3.4Å; L96-W161 VanDerWaalsContact CD1-CZ3 3.4Å; L96-W161 HydrophobicContact CD2-CD2 4.1Å; L96-W161 HydrophobicContact CD2-CE3 4.26Å; L96-W161 HydrophobicContact CD2-CH2 4.21Å; L96-W161 HydrophobicContact CD2-CZ2 4.04Å; L96-W161 HydrophobicContact CD2-CZ3 4.32Å; L96-A163 HydrophobicContact CD1-CB 4.29Å |
| 97 | C | 85.1 | Confident | 89.1 | Confident | 15 Ų | 15 | 27.1 Ų | 27.1 | 10% | 0.101 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -61.2 | 129.9 | 178.4 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | S94 I95 S99 F101 | S94-C97 WeakPolarHBondContact O-CB 3.36Å; S94-C97 PolarHBondContact O-N 3.22Å; S94-C97 VanDerWaalsContact O-N 3.11Å; I95-C97 PolarHBondContact O-N 2.79Å; C97-S99 PolarHBondContact O-N 3.34Å; C97-F101 VanDerWaalsContact SG-CD1 3.54Å |
| 98 | P | 87.3 | Confident | 89.4 | Confident | 53 Ų | 53 | 26.3 Ų | 26.3 | 34% | 0.344 | 14% | 0.136 | S | C | . | . | trans | -56.9 | 134.5 | -179.2 | -27.5 | 35.3 | 0 | 0 | 0 | 112.8 | Y57 H100 F101 R102 | Y57-P98 HydrophobicContact CD1-CG 3.72Å; Y57-P98 HydrophobicContact CE1-CG 4.23Å; Y57-P98 HydrophobicContact CG-CG 4.17Å; P98-H100 PolarHBondContact O-N 3.24Å; P98-H100 VanDerWaalsContact O-N 3.1Å; P98-F101 WeakPolarHBondContact O-CB 3.48Å; P98-F101 PolarHBondContact O-N 3.36Å; P98-R102 PolarHBondContact O-N 3.08Å | ||
| 99 | S | 86.1 | Confident | 89.6 | Confident | 49 Ų | 49 | 23 Ų | 23 | 34% | 0.343 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -56.2 | -32.1 | 178.5 | -39.3 | 0 | 0 | 0 | 0 | 112.1 | C97 F101 R102 E103 D386 | C97-S99 PolarHBondContact O-N 3.34Å; S99-F101 PolarHBondContact O-N 3.07Å; S99-R102 PolarHBondContact O-N 3.49Å; S99-E103 WeakPolarHBondContact O-CG 3.3Å; S99-E103 PolarHBondContact O-N 2.89Å; S99-D386 WeakPolarHBondContact CB-OD2 3.24Å; S99-D386 PolarHBondContact OG-OD2 2.9Å |
| 100 | H | 87.8 | Confident | 89.7 | Confident | 72 Ų | 72 | 23.1 Ų | 23.1 | 33% | 0.333 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59.3 | -43.1 | 175.4 | -179.4 | 54.2 | 0 | 0 | 0 | 113 | T61 P98 T104 | T61-H100 WeakPolarHBondContact CG2-CE1 3.37Å; P98-H100 PolarHBondContact O-N 3.24Å; P98-H100 VanDerWaalsContact O-N 3.1Å; H100-T104 PolarHBondContact O-N 3.28Å; H100-T104 VanDerWaalsContact O-N 3.1Å; H100-T104 PolarHBondContact O-OG1 3.21Å |
| 101 | F | 89.3 | Confident | 89.6 | Confident | 11 Ų | 11 | 28.8 Ų | 28.8 | 5% | 0.048 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.1 | -45.7 | 177.2 | -178.8 | -94 | 0 | 0 | 0 | 110.2 | V55 Y57 L64 L68 C97 P98 S99 E103 T104 L105 | V55-F101 HydrophobicContact CG1-CE2 4.46Å; V55-F101 HydrophobicContact CG1-CZ 4.41Å; V55-F101 HydrophobicContact CG2-CZ 4.33Å; Y57-F101 HydrophobicContact CE1-CG 4.48Å; L64-F101 HydrophobicContact CD1-CD2 4.09Å; L64-F101 HydrophobicContact CD1-CE2 4.1Å; L64-F101 HydrophobicContact CD2-CD2 4.07Å; L68-F101 HydrophobicContact CD1-CE2 4.31Å; L68-F101 HydrophobicContact CD2-CE2 4.08Å; L68-F101 HydrophobicContact CD2-CZ 4.02Å; C97-F101 VanDerWaalsContact SG-CD1 3.54Å; P98-F101 WeakPolarHBondContact O-CB 3.48Å; P98-F101 PolarHBondContact O-N 3.36Å; S99-F101 PolarHBondContact O-N 3.07Å; F101-E103 PolarHBondContact O-N 2.99Å; F101-T104 PolarHBondContact O-N 3.43Å; F101-L105 HydrophobicContact CE1-CD1 3.94Å; F101-L105 HydrophobicContact CZ-CD1 4.36Å; F101-L105 VanDerWaalsContact O-CB 3.3Å; F101-L105 WeakPolarHBondContact O-CB 3.47Å; F101-L105 PolarHBondContact O-N 3.12Å |
| 102 | R | 88.9 | Confident | 89.5 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 2% | 0.023 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 178.9 | -163.9 | -178.5 | 62.1 | -132.7 | -21.3 | 112.7 | E93 P98 S99 T106 F120 D386 | E93-R102 WeakPolarHBondContact OE1-CD 3.24Å; E93-R102 IonicContact OE1-NH1 2.89Å; P98-R102 PolarHBondContact O-N 3.08Å; S99-R102 PolarHBondContact O-N 3.49Å; R102-T106 VanDerWaalsContact O-CB 3.31Å; R102-T106 WeakPolarHBondContact O-CB 3.46Å; R102-T106 PolarHBondContact O-N 3.46Å; R102-T106 PolarHBondContact O-OG1 2.94Å; R102-F120 HydrophobicContact CG-CD1 3.82Å; R102-F120 HydrophobicContact CG-CD2 4.25Å; R102-F120 HydrophobicContact CG-CE1 3.46Å; R102-F120 VanDerWaalsContact CG-CE1 3.46Å; R102-F120 HydrophobicContact CG-CE2 3.95Å; R102-F120 HydrophobicContact CG-CG 4.19Å; R102-F120 HydrophobicContact CG-CZ 3.52Å; R102-D386 IonicContact CZ-OD1 3.37Å; R102-D386 IonicContact CZ-OD2 2.8Å; R102-D386 IonicContact NH1-OD1 3.15Å; R102-D386 PolarHBondContact NH1-OD1 3Å; R102-D386 IonicContact NH1-OD2 2.77Å; R102-D386 PolarHBondContact NH1-OD2 3.41Å; R102-D386 IonicContact NH2-OD1 2.78Å; R102-D386 PolarHBondContact NH2-OD1 2.7Å; R102-D386 IonicContact NH2-OD2 3.26Å; R102-D386 PolarHBondContact NH2-OD2 3.3Å |
| 103 | E | 88.9 | Confident | 89.4 | Confident | 45 Ų | 45 | 32.8 Ų | 32.8 | 21% | 0.21 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 175.7 | -76.1 | -174.5 | 176.9 | 0 | 0 | 112 | S99 F101 T106 K107 R383 | S99-E103 WeakPolarHBondContact O-CG 3.3Å; S99-E103 PolarHBondContact O-N 2.89Å; F101-E103 PolarHBondContact O-N 2.99Å; E103-T106 WeakPolarHBondContact O-CB 3.38Å; E103-T106 PolarHBondContact O-N 3.13Å; E103-K107 WeakPolarHBondContact O-CG 3.2Å; E103-K107 PolarHBondContact O-N 3.35Å; E103-R383 WeakPolarHBondContact OE1-CD 3.47Å; E103-R383 IonicContact OE1-CZ 2.76Å; E103-R383 IonicContact OE1-NE 3.03Å; E103-R383 PolarHBondContact OE1-NE 3.06Å; E103-R383 IonicContact OE1-NH1 2.68Å |
| 104 | T | 90.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 179.9 | -54.6 | 0 | 0 | 0 | 0 | 111 | L64 Y65 L68 H100 F101 T106 K107 V108 | L64-T104 HydrophobicContact CB-CG2 4.19Å; L64-T104 HydrophobicContact CD2-CG2 3.98Å; L64-T104 HydrophobicContact CG-CG2 3.91Å; Y65-T104 HydrophobicContact CD2-CG2 4.38Å; L68-T104 HydrophobicContact CD1-CG2 4.09Å; H100-T104 PolarHBondContact O-N 3.28Å; H100-T104 VanDerWaalsContact O-N 3.1Å; H100-T104 PolarHBondContact O-OG1 3.21Å; F101-T104 PolarHBondContact O-N 3.43Å; T104-T106 VanDerWaalsContact C-N 3.31Å; T104-T106 PolarHBondContact O-N 3.06Å; T104-K107 WeakPolarHBondContact O-CB 3.25Å; T104-K107 PolarHBondContact O-N 2.8Å; T104-V108 WeakPolarHBondContact O-CG2 3.47Å; T104-V108 PolarHBondContact O-N 2.88Å |
| 105 | L | 91.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.2 | -43.8 | 175.2 | -179.9 | 149.4 | 0 | 0 | 0 | 111.5 | L20 L68 I91 F101 K107 V108 F109 F120 | L20-L105 HydrophobicContact CD1-CD1 3.19Å; L68-L105 HydrophobicContact CD1-CB 4.18Å; I91-L105 HydrophobicContact CD1-CD2 3.32Å; I91-L105 HydrophobicContact CD1-CG 4.44Å; F101-L105 HydrophobicContact CE1-CD1 3.94Å; F101-L105 HydrophobicContact CZ-CD1 4.36Å; F101-L105 VanDerWaalsContact O-CB 3.3Å; F101-L105 WeakPolarHBondContact O-CB 3.47Å; F101-L105 PolarHBondContact O-N 3.12Å; L105-K107 VanDerWaalsContact C-N 3.35Å; L105-K107 PolarHBondContact O-N 3.42Å; L105-V108 WeakPolarHBondContact O-CB 3.2Å; L105-V108 PolarHBondContact O-N 2.88Å; L105-V108 VanDerWaalsContact O-N 3.14Å; L105-F109 HydrophobicContact CD1-CE2 4.32Å; L105-F109 HydrophobicContact CD2-CD2 3.51Å; L105-F109 HydrophobicContact CD2-CE2 3.6Å; L105-F109 HydrophobicContact CG-CD2 3.93Å; L105-F109 HydrophobicContact CG-CE2 3.8Å; L105-F109 VanDerWaalsContact O-CD2 3.3Å; L105-F109 WeakPolarHBondContact O-CD2 3.37Å; L105-F109 PolarHBondContact O-N 2.86Å; L105-F120 HydrophobicContact CD2-CE1 3.68Å; L105-F120 HydrophobicContact CD2-CZ 3.51Å |
| 106 | T | 91.2 | Very high | 90 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 176.6 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | R102 E103 T104 V108 F109 F110 F120 Y378 I384 | R102-T106 VanDerWaalsContact O-CB 3.31Å; R102-T106 WeakPolarHBondContact O-CB 3.46Å; R102-T106 PolarHBondContact O-N 3.46Å; R102-T106 PolarHBondContact O-OG1 2.94Å; E103-T106 WeakPolarHBondContact O-CB 3.38Å; E103-T106 PolarHBondContact O-N 3.13Å; T104-T106 VanDerWaalsContact C-N 3.31Å; T104-T106 PolarHBondContact O-N 3.06Å; T106-V108 VanDerWaalsContact C-N 3.29Å; T106-V108 PolarHBondContact O-N 2.89Å; T106-F109 PolarHBondContact O-N 3.45Å; T106-F110 HydrophobicContact CG2-CD2 3.51Å; T106-F110 HydrophobicContact CG2-CE2 3.67Å; T106-F110 PolarHBondContact O-N 3.35Å; T106-F120 WeakPolarHBondContact OG1-CZ 3.43Å; T106-Y378 HydrophobicContact CG2-CD2 3.77Å; T106-Y378 HydrophobicContact CG2-CE1 4.48Å; T106-Y378 HydrophobicContact CG2-CE2 3.43Å; T106-Y378 VanDerWaalsContact CG2-CE2 3.43Å; T106-Y378 HydrophobicContact CG2-CG 4.43Å; T106-I384 HydrophobicContact CG2-CD1 3.26Å; T106-I384 HydrophobicContact CG2-CG1 3.79Å; T106-I384 WeakPolarHBondContact OG1-CD1 3.12Å |
| 107 | K | 91.4 | Very high | 90.2 | Very high | 89 Ų | 89 | 32.9 Ų | 32.9 | 39% | 0.387 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58 | -42.4 | 174.7 | -72.9 | 170.2 | -174.6 | 172.9 | 0 | 111.1 | Y65 E103 T104 L105 K111 Y378 | Y65-K107 HydrophobicContact CD2-CB 4.38Å; Y65-K107 HydrophobicContact CE2-CB 4.09Å; E103-K107 WeakPolarHBondContact O-CG 3.2Å; E103-K107 PolarHBondContact O-N 3.35Å; T104-K107 WeakPolarHBondContact O-CB 3.25Å; T104-K107 PolarHBondContact O-N 2.8Å; L105-K107 VanDerWaalsContact C-N 3.35Å; L105-K107 PolarHBondContact O-N 3.42Å; K107-K111 WeakPolarHBondContact O-CB 3.5Å; K107-K111 PolarHBondContact O-N 2.73Å; K107-Y378 WeakPolarHBondContact CG-OH 3.47Å |
| 108 | V | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -62.3 | -50.6 | 178 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | Y65 L68 K69 I72 T104 L105 T106 F110 Q112 F113 | Y65-V108 HydrophobicContact CD2-CG2 3.38Å; Y65-V108 HydrophobicContact CE2-CB 4.25Å; Y65-V108 HydrophobicContact CE2-CG2 3.46Å; Y65-V108 VanDerWaalsContact CE2-CG2 3.46Å; Y65-V108 HydrophobicContact CG-CG2 4.06Å; L68-V108 HydrophobicContact CB-CG2 4.02Å; K69-V108 HydrophobicContact CB-CG1 4.34Å; I72-V108 HydrophobicContact CD1-CB 4.36Å; I72-V108 HydrophobicContact CD1-CG1 3.69Å; T104-V108 WeakPolarHBondContact O-CG2 3.47Å; T104-V108 PolarHBondContact O-N 2.88Å; L105-V108 WeakPolarHBondContact O-CB 3.2Å; L105-V108 PolarHBondContact O-N 2.88Å; L105-V108 VanDerWaalsContact O-N 3.14Å; T106-V108 VanDerWaalsContact C-N 3.29Å; T106-V108 PolarHBondContact O-N 2.89Å; V108-F110 PolarHBondContact O-N 3.09Å; V108-Q112 VanDerWaalsContact O-CB 3.28Å; V108-Q112 WeakPolarHBondContact O-CB 2.95Å; V108-Q112 PolarHBondContact O-N 3.3Å; V108-F113 HydrophobicContact CG1-CD2 3.83Å; V108-F113 HydrophobicContact CG1-CE2 3.59Å; V108-F113 PolarHBondContact O-N 2.96Å |
| 109 | F | 93.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -62 | -46 | -179.1 | -83.7 | -70.9 | 0 | 0 | 0 | 113.5 | I18 I72 Y76 V89 I91 L105 T106 F113 E114 V115 V118 | I18-F109 HydrophobicContact CD1-CE1 4.25Å; I18-F109 HydrophobicContact CD1-CZ 3.83Å; I72-F109 HydrophobicContact CD1-CD2 4.17Å; I72-F109 HydrophobicContact CD1-CE1 4.32Å; I72-F109 HydrophobicContact CD1-CE2 3.56Å; I72-F109 HydrophobicContact CD1-CZ 3.66Å; I72-F109 HydrophobicContact CG1-CE2 4.48Å; I72-F109 HydrophobicContact CG1-CZ 4.15Å; I72-F109 HydrophobicContact CG2-CE1 4.04Å; I72-F109 HydrophobicContact CG2-CZ 4.21Å; Y76-F109 AromaticContact CE2-CE1 3.99Å; Y76-F109 HydrophobicContact CE2-CE1 3.99Å; V89-F109 HydrophobicContact CG1-CE1 4.08Å; V89-F109 HydrophobicContact CG1-CZ 4.31Å; V89-F109 HydrophobicContact CG2-CD1 4.42Å; V89-F109 HydrophobicContact CG2-CE1 4.34Å; I91-F109 HydrophobicContact CD1-CD2 3.79Å; I91-F109 HydrophobicContact CD1-CE2 3.41Å; I91-F109 VanDerWaalsContact CD1-CE2 3.41Å; I91-F109 HydrophobicContact CD1-CZ 3.99Å; L105-F109 HydrophobicContact CD1-CE2 4.32Å; L105-F109 HydrophobicContact CD2-CD2 3.51Å; L105-F109 HydrophobicContact CD2-CE2 3.6Å; L105-F109 HydrophobicContact CG-CD2 3.93Å; L105-F109 HydrophobicContact CG-CE2 3.8Å; L105-F109 VanDerWaalsContact O-CD2 3.3Å; L105-F109 WeakPolarHBondContact O-CD2 3.37Å; L105-F109 PolarHBondContact O-N 2.86Å; T106-F109 PolarHBondContact O-N 3.45Å; F109-F113 CarbonylContact O-C 3.56Å; F109-E114 PolarHBondContact O-N 3.19Å; F109-V115 HydrophobicContact CB-CG2 3.83Å; F109-V115 HydrophobicContact CD1-CG1 3.9Å; F109-V115 HydrophobicContact CD1-CG2 4.38Å; F109-V115 PolarHBondContact O-N 3.29Å; F109-V118 HydrophobicContact CB-CG2 4Å; F109-V118 HydrophobicContact CG-CG2 4.46Å |
| 110 | F | 93 | Very high | 90.7 | Very high | 5 Ų | 5 | 29 Ų | 29 | 2% | 0.022 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -81.7 | -39.2 | -177.4 | -72.8 | -51.9 | 0 | 0 | 0 | 114.4 | T106 V108 E114 V115 V118 R375 Y378 I384 | T106-F110 HydrophobicContact CG2-CD2 3.51Å; T106-F110 HydrophobicContact CG2-CE2 3.67Å; T106-F110 PolarHBondContact O-N 3.35Å; V108-F110 PolarHBondContact O-N 3.09Å; F110-E114 WeakPolarHBondContact O-CA 3.45Å; F110-V115 HydrophobicContact CD1-CG2 3.94Å; F110-V115 WeakPolarHBondContact CD1-O 3.41Å; F110-V115 HydrophobicContact CE1-CG2 4.03Å; F110-V118 HydrophobicContact CE1-CG2 3.99Å; F110-V118 HydrophobicContact CE2-CB 4.43Å; F110-V118 HydrophobicContact CE2-CG2 4.19Å; F110-V118 HydrophobicContact CZ-CB 4.02Å; F110-V118 HydrophobicContact CZ-CG2 3.76Å; F110-R375 HydrophobicContact CD1-CB 3.72Å; F110-R375 HydrophobicContact CD1-CG 3.77Å; F110-R375 VanDerWaalsContact CE1-CA 3.46Å; F110-R375 HydrophobicContact CE1-CB 3.78Å; F110-R375 HydrophobicContact CE1-CG 4.34Å; F110-R375 HydrophobicContact CG-CG 4.45Å; F110-Y378 HydrophobicContact CB-CD1 3.82Å; F110-Y378 HydrophobicContact CB-CE1 4.08Å; F110-Y378 AromaticContact CD2-CD1 3.38Å; F110-Y378 HydrophobicContact CD2-CD1 3.38Å; F110-Y378 AromaticContact CD2-CD2 3.97Å; F110-Y378 HydrophobicContact CD2-CD2 3.97Å; F110-Y378 AromaticContact CD2-CE1 3.94Å; F110-Y378 HydrophobicContact CD2-CE1 3.94Å; F110-Y378 HydrophobicContact CD2-CE2 4.47Å; F110-Y378 AromaticContact CD2-CG 3.39Å; F110-Y378 HydrophobicContact CD2-CG 3.39Å; F110-Y378 HydrophobicContact CE2-CD1 4.15Å; F110-Y378 HydrophobicContact CE2-CD2 4.09Å; F110-Y378 AromaticContact CE2-CG 3.68Å; F110-Y378 HydrophobicContact CE2-CG 3.68Å; F110-Y378 AromaticContact CG-CD1 3.86Å; F110-Y378 HydrophobicContact CG-CD1 3.86Å; F110-Y378 HydrophobicContact CG-CE1 4.44Å; F110-Y378 HydrophobicContact CG-CG 4.22Å; F110-I384 HydrophobicContact CE2-CD1 4.2Å |
| 111 | K | 90.9 | Very high | 90.8 | Very high | 120 Ų | 120 | 25.8 Ų | 25.8 | 52% | 0.522 | 12% | 0.123 | S | C | . | . | I | π-helix | trans | -87.4 | -37.4 | -175.1 | -60.7 | -61.5 | -172 | -171.5 | 0 | 113.4 | K107 N379 | K107-K111 WeakPolarHBondContact O-CB 3.5Å; K107-K111 PolarHBondContact O-N 2.73Å; K111-N379 PolarHBondContact NZ-OD1 3.3Å |
| 112 | Q | 92.1 | Very high | 90.9 | Very high | 74 Ų | 74 | 25.5 Ų | 25.5 | 35% | 0.346 | 12% | 0.123 | S | C | . | . | I | π-helix | trans | -92.5 | -43.4 | -177.4 | -177.5 | 63.4 | 53.7 | 0 | 0 | 112.5 | K69 V108 | K69-Q112 HydrophobicContact CD-CG 3.88Å; K69-Q112 VanDerWaalsContact CE-OE1 3.3Å; K69-Q112 HydrophobicContact CG-CG 4.05Å; K69-Q112 VanDerWaalsContact NZ-CD 3.35Å; V108-Q112 VanDerWaalsContact O-CB 3.28Å; V108-Q112 WeakPolarHBondContact O-CB 2.95Å; V108-Q112 PolarHBondContact O-N 3.3Å |
| 113 | F | 90.8 | Very high | 91 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 6% | 0.057 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -101.4 | -10.2 | -174.5 | -65.8 | -75.5 | 0 | 0 | 0 | 113.9 | I72 H73 F77 P84 R85 V108 F109 V115 | I72-F113 HydrophobicContact CB-CE2 3.74Å; I72-F113 HydrophobicContact CB-CZ 3.98Å; I72-F113 HydrophobicContact CG2-CD2 3.81Å; I72-F113 HydrophobicContact CG2-CE1 4.28Å; I72-F113 HydrophobicContact CG2-CE2 3.39Å; I72-F113 HydrophobicContact CG2-CG 4.43Å; I72-F113 HydrophobicContact CG2-CZ 3.64Å; H73-F113 HydrophobicContact CB-CE1 4.45Å; H73-F113 HydrophobicContact CB-CZ 4.1Å; F77-F113 HydrophobicContact CE2-CE1 4.41Å; P84-F113 HydrophobicContact CB-CB 4.11Å; P84-F113 HydrophobicContact CB-CD1 4.44Å; P84-F113 HydrophobicContact CG-CB 4.06Å; P84-F113 HydrophobicContact CG-CD1 3.72Å; P84-F113 HydrophobicContact CG-CG 4.3Å; R85-F113 VanDerWaalsContact CG-O 3.26Å; R85-F113 WeakPolarHBondContact CG-O 3.33Å; V108-F113 HydrophobicContact CG1-CD2 3.83Å; V108-F113 HydrophobicContact CG1-CE2 3.59Å; V108-F113 PolarHBondContact O-N 2.96Å; F109-F113 CarbonylContact O-C 3.56Å; F113-V115 VanDerWaalsContact C-N 3.27Å; F113-V115 HydrophobicContact CB-CG1 4.18Å; F113-V115 PolarHBondContact O-N 2.92Å |
| 114 | E | 92.2 | Very high | 91.2 | Very high | 70 Ų | 70 | 23.4 Ų | 23.4 | 33% | 0.327 | 11% | 0.114 | S | C | . | . | trans | 51.4 | 41.4 | 176.9 | -65.9 | 170.5 | -142.1 | 0 | 0 | 113.8 | R85 F109 F110 R375 | R85-E114 HydrophobicContact CG-CB 4.19Å; R85-E114 IonicContact CZ-OE1 3.3Å; R85-E114 IonicContact CZ-OE2 3.73Å; R85-E114 VanDerWaalsContact CZ-OE2 3.3Å; R85-E114 IonicContact NE-OE2 3.22Å; R85-E114 PolarHBondContact NE-OE2 2.88Å; R85-E114 IonicContact NH2-OE1 3.17Å; R85-E114 PolarHBondContact NH2-OE1 3.44Å; R85-E114 IonicContact NH2-OE2 3.82Å; R85-E114 PolarHBondContact NH2-OE2 3.21Å; F109-E114 PolarHBondContact O-N 3.19Å; F110-E114 WeakPolarHBondContact O-CA 3.45Å; E114-R375 IonicContact OE2-NH1 3.7Å | ||
| 115 | V | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -64.2 | 147.9 | 179 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | P84 V89 F109 F110 F113 V118 | P84-V115 HydrophobicContact CB-CG1 4.04Å; V89-V115 HydrophobicContact CG2-CB 4.28Å; V89-V115 HydrophobicContact CG2-CG1 3.99Å; F109-V115 HydrophobicContact CB-CG2 3.83Å; F109-V115 HydrophobicContact CD1-CG1 3.9Å; F109-V115 HydrophobicContact CD1-CG2 4.38Å; F109-V115 PolarHBondContact O-N 3.29Å; F110-V115 HydrophobicContact CD1-CG2 3.94Å; F110-V115 WeakPolarHBondContact CD1-O 3.41Å; F110-V115 HydrophobicContact CE1-CG2 4.03Å; F113-V115 VanDerWaalsContact C-N 3.27Å; F113-V115 HydrophobicContact CB-CG1 4.18Å; F113-V115 PolarHBondContact O-N 2.92Å; V115-V118 HydrophobicContact CG2-CG2 3.48Å; V115-V118 VanDerWaalsContact CG2-CG2 3.48Å | ||
| 116 | P | 89.6 | Confident | 91.2 | Very high | 46 Ų | 46 | 24.6 Ų | 24.6 | 30% | 0.299 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -68.1 | -42.2 | -177.5 | 24.4 | -33.4 | 0 | 0 | 0 | 112.7 | R87 R88 R375 | R87-P116 VanDerWaalsContact O-CD 3.23Å; R87-P116 WeakPolarHBondContact O-CD 3.47Å; R87-P116 WeakPolarHBondContact O-CG 3.27Å; R88-P116 HydrophobicContact CG-CG 4.15Å; P116-R375 PolarHBondContact O-N 2.86Å; P116-R375 VanDerWaalsContact O-N 3.1Å |
| 117 | S | 88.8 | Confident | 91.2 | Very high | 14 Ų | 14 | 24.5 Ų | 24.5 | 10% | 0.098 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 145.9 | -177.8 | -41.6 | 0 | 0 | 0 | 0 | 111.1 | V89 S372 V373 | V89-S117 PolarHBondContact N-O 3.41Å; S117-S372 WeakPolarHBondContact CB-OG 3.4Å; S117-V373 CarbonylContact C-O 3.53Å; S117-V373 VanDerWaalsContact CA-O 3.24Å; S117-V373 WeakPolarHBondContact CA-O 3.42Å |
| 118 | V | 90.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.3 | 175.4 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | V89 I91 F109 F110 V115 F120 V373 | V89-V118 WeakPolarHBondContact O-CA 3.39Å; I91-V118 HydrophobicContact CD1-CG1 3.8Å; I91-V118 HydrophobicContact CG1-CG1 4.3Å; F109-V118 HydrophobicContact CB-CG2 4Å; F109-V118 HydrophobicContact CG-CG2 4.46Å; F110-V118 HydrophobicContact CE1-CG2 3.99Å; F110-V118 HydrophobicContact CE2-CB 4.43Å; F110-V118 HydrophobicContact CE2-CG2 4.19Å; F110-V118 HydrophobicContact CZ-CB 4.02Å; F110-V118 HydrophobicContact CZ-CG2 3.76Å; V115-V118 HydrophobicContact CG2-CG2 3.48Å; V115-V118 VanDerWaalsContact CG2-CG2 3.48Å; V118-F120 HydrophobicContact CG1-CD2 4.17Å; V118-F120 HydrophobicContact CG1-CE2 3.59Å; V118-F120 HydrophobicContact CG1-CZ 3.96Å; V118-V373 PolarHBondContact N-O 2.82Å; V118-V373 PolarHBondContact O-N 2.83Å |
| 119 | L | 89.6 | Confident | 91 | Very high | 20 Ų | 20 | 23 Ų | 23 | 11% | 0.105 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.6 | 170.8 | 175.4 | 64.4 | 0 | 0 | 0 | 109.8 | V89 L90 I91 F361 L368 | V89-L119 PolarHBondContact O-N 3.45Å; L90-L119 HydrophobicContact CD1-CB 3.86Å; L90-L119 HydrophobicContact CD1-CD2 3.46Å; L90-L119 VanDerWaalsContact CD1-CD2 3.46Å; L90-L119 HydrophobicContact CD1-CG 3.65Å; I91-L119 PolarHBondContact N-O 3.06Å; L119-F361 HydrophobicContact CD2-CD1 4.17Å; L119-F361 HydrophobicContact CD2-CE1 3.53Å; L119-L368 HydrophobicContact CD2-CD2 3.82Å |
| 120 | F | 90.1 | Very high | 90.8 | Very high | 16 Ų | 16 | 23.5 Ų | 23.5 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 123 | 170.4 | -68.4 | -85.2 | 0 | 0 | 0 | 109.4 | I91 E93 R102 L105 T106 V118 I384 | I91-F120 HydrophobicContact CB-CD1 4.09Å; I91-F120 HydrophobicContact CB-CE1 4.12Å; I91-F120 HydrophobicContact CD1-CE1 4.12Å; I91-F120 HydrophobicContact CD1-CZ 4.24Å; I91-F120 HydrophobicContact CG2-CD1 4.18Å; I91-F120 HydrophobicContact CG2-CE1 4.05Å; I91-F120 WeakPolarHBondContact O-CA 3.27Å; E93-F120 HydrophobicContact CG-CB 4.47Å; E93-F120 HydrophobicContact CG-CD1 4.2Å; E93-F120 WeakPolarHBondContact OE2-CD1 3.11Å; R102-F120 HydrophobicContact CG-CD1 3.82Å; R102-F120 HydrophobicContact CG-CD2 4.25Å; R102-F120 HydrophobicContact CG-CE1 3.46Å; R102-F120 VanDerWaalsContact CG-CE1 3.46Å; R102-F120 HydrophobicContact CG-CE2 3.95Å; R102-F120 HydrophobicContact CG-CG 4.19Å; R102-F120 HydrophobicContact CG-CZ 3.52Å; L105-F120 HydrophobicContact CD2-CE1 3.68Å; L105-F120 HydrophobicContact CD2-CZ 3.51Å; T106-F120 WeakPolarHBondContact OG1-CZ 3.43Å; V118-F120 HydrophobicContact CG1-CD2 4.17Å; V118-F120 HydrophobicContact CG1-CE2 3.59Å; V118-F120 HydrophobicContact CG1-CZ 3.96Å; F120-I384 HydrophobicContact CD2-CD1 4.2Å; F120-I384 HydrophobicContact CD2-CG2 4.14Å; F120-I384 HydrophobicContact CE2-CD1 3.59Å; F120-I384 HydrophobicContact CE2-CG2 4.33Å |
| 121 | A | 89.3 | Confident | 90.6 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 134 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L90 I91 I92 E93 M126 | L90-A121 HydrophobicContact CD1-CB 3.85Å; I91-A121 PolarHBondContact O-N 2.8Å; I92-A121 WeakPolarHBondContact CA-O 3.49Å; E93-A121 PolarHBondContact N-O 2.91Å; A121-M126 HydrophobicContact CB-CE 4Å; A121-M126 HydrophobicContact CB-CG 3.94Å; A121-M126 HydrophobicContact CB-SD 3.75Å |
| 122 | P | 90.6 | Very high | 90.5 | Very high | 6 Ų | 6 | 22.7 Ų | 22.7 | 4% | 0.039 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 130.9 | -179.2 | 26.1 | -27.5 | 0 | 0 | 0 | 111.2 | E93 I95 H124 L125 M126 W387 | E93-P122 WeakPolarHBondContact O-CA 3.46Å; I95-P122 HydrophobicContact CD1-CB 3.81Å; I95-P122 HydrophobicContact CG1-CB 3.4Å; P122-H124 VanDerWaalsContact C-N 3.28Å; P122-H124 PolarHBondContact O-N 2.77Å; P122-L125 HydrophobicContact CG-CB 3.78Å; P122-L125 HydrophobicContact CG-CD2 4.12Å; P122-L125 PolarHBondContact O-N 3.03Å; P122-L125 VanDerWaalsContact O-N 3.15Å; P122-M126 WeakPolarHBondContact O-CG 3.26Å; P122-M126 PolarHBondContact O-N 3.32Å; P122-M126 VanDerWaalsContact O-N 3.13Å; P122-W387 HydrophobicContact CG-CH2 4.13Å; P122-W387 HydrophobicContact CG-CZ2 4.2Å |
| 123 | S | 92.4 | Very high | 90.4 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -49.1 | -43.5 | -178.3 | 172.8 | 0 | 0 | 0 | 0 | 113.9 | E93 L125 M126 S127 A354 | E93-S123 PolarHBondContact O-N 3.14Å; S123-L125 PolarHBondContact O-N 3.45Å; S123-M126 PolarHBondContact O-N 3.4Å; S123-S127 WeakPolarHBondContact O-CB 2.93Å; S123-S127 PolarHBondContact O-N 3.04Å; S123-S127 PolarHBondContact O-OG 2.95Å; S123-A354 VanDerWaalsContact OG-CB 3.26Å; S123-A354 WeakPolarHBondContact OG-CB 3.41Å |
| 124 | H | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | -176.5 | -59.6 | 71.2 | 0 | 0 | 0 | 111.9 | P122 S127 I128 V138 L147 L149 | P122-H124 VanDerWaalsContact C-N 3.28Å; P122-H124 PolarHBondContact O-N 2.77Å; H124-S127 PolarHBondContact O-N 3.21Å; H124-I128 PolarHBondContact O-N 2.89Å; H124-V138 HydrophobicContact CB-CB 4.16Å; H124-V138 HydrophobicContact CB-CG1 4.23Å; H124-V138 HydrophobicContact CB-CG2 4.46Å; H124-L147 WeakPolarHBondContact CE1-CD2 3.33Å; H124-L149 HydrophobicContact CB-CB 4.16Å; H124-L149 HydrophobicContact CB-CD2 3.6Å; H124-L149 VanDerWaalsContact CD2-CB 3.44Å; H124-L149 WeakPolarHBondContact CD2-CB 3.1Å |
| 125 | L | 90.6 | Very high | 90.4 | Very high | 30 Ų | 30 | 21.2 Ų | 21.2 | 16% | 0.157 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.4 | -43.6 | 177 | -176.9 | 62.2 | 0 | 0 | 0 | 110.8 | P122 S123 S127 I128 M129 V151 C154 | P122-L125 HydrophobicContact CG-CB 3.78Å; P122-L125 HydrophobicContact CG-CD2 4.12Å; P122-L125 PolarHBondContact O-N 3.03Å; P122-L125 VanDerWaalsContact O-N 3.15Å; S123-L125 PolarHBondContact O-N 3.45Å; L125-S127 VanDerWaalsContact C-N 3.25Å; L125-S127 PolarHBondContact O-N 2.98Å; L125-I128 PolarHBondContact O-N 2.77Å; L125-M129 WeakPolarHBondContact O-CG 3.39Å; L125-M129 PolarHBondContact O-N 2.88Å; L125-V151 HydrophobicContact CD1-CG1 4.1Å; L125-C154 HydrophobicContact CD1-CB 4.33Å; L125-C154 WeakPolarHBondContact CD1-O 3.32Å |
| 126 | M | 91.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 177.5 | -63.9 | -56.6 | 95.7 | 0 | 0 | 110.9 | I92 A121 P122 S123 I128 M129 S130 A354 G357 F361 | I92-M126 HydrophobicContact CG1-CG 4.43Å; A121-M126 HydrophobicContact CB-CE 4Å; A121-M126 HydrophobicContact CB-CG 3.94Å; A121-M126 HydrophobicContact CB-SD 3.75Å; P122-M126 WeakPolarHBondContact O-CG 3.26Å; P122-M126 PolarHBondContact O-N 3.32Å; P122-M126 VanDerWaalsContact O-N 3.13Å; S123-M126 PolarHBondContact O-N 3.4Å; M126-I128 VanDerWaalsContact C-N 3.32Å; M126-I128 PolarHBondContact O-N 2.88Å; M126-M129 WeakPolarHBondContact O-CB 3.37Å; M126-M129 PolarHBondContact O-N 3Å; M126-M129 VanDerWaalsContact O-N 3.16Å; M126-S130 PolarHBondContact O-N 2.96Å; M126-S130 VanDerWaalsContact O-N 3.08Å; M126-A354 WeakPolarHBondContact CB-O 3.42Å; M126-G357 WeakPolarHBondContact O-CA 3.25Å; M126-F361 HydrophobicContact CE-CB 4.45Å; M126-F361 HydrophobicContact CE-CD2 3.74Å; M126-F361 HydrophobicContact CE-CE2 4.04Å; M126-F361 HydrophobicContact CE-CG 4.03Å; M126-F361 HydrophobicContact SD-CB 3.69Å; M126-F361 HydrophobicContact SD-CD1 4.39Å; M126-F361 HydrophobicContact SD-CD2 4.11Å; M126-F361 HydrophobicContact SD-CG 3.81Å |
| 127 | S | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 178.6 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | S123 H124 L125 S130 I306 A354 | S123-S127 WeakPolarHBondContact O-CB 2.93Å; S123-S127 PolarHBondContact O-N 3.04Å; S123-S127 PolarHBondContact O-OG 2.95Å; H124-S127 PolarHBondContact O-N 3.21Å; L125-S127 VanDerWaalsContact C-N 3.25Å; L125-S127 PolarHBondContact O-N 2.98Å; S127-S130 WeakPolarHBondContact O-CB 3.35Å; S127-S130 PolarHBondContact O-N 3.25Å; S127-S130 PolarHBondContact O-OG 3.01Å; S127-I306 WeakPolarHBondContact OG-CD1 3.37Å; S127-A354 WeakPolarHBondContact OG-CA 3.4Å |
| 128 | I | 91.6 | Very high | 91 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.2 | -41.4 | 174 | -81.8 | 173.9 | 0 | 0 | 0 | 112.1 | H124 L125 M126 S130 L131 G132 I133 V138 V151 | H124-I128 PolarHBondContact O-N 2.89Å; L125-I128 PolarHBondContact O-N 2.77Å; M126-I128 VanDerWaalsContact C-N 3.32Å; M126-I128 PolarHBondContact O-N 2.88Å; I128-S130 PolarHBondContact O-N 3.44Å; I128-L131 PolarHBondContact O-N 3.45Å; I128-G132 PolarHBondContact O-N 3.11Å; I128-I133 HydrophobicContact CG2-CG1 3.99Å; I128-I133 WeakPolarHBondContact CG2-O 3.45Å; I128-V138 HydrophobicContact CD1-CG2 3.44Å; I128-V138 VanDerWaalsContact CD1-CG2 3.44Å; I128-V138 HydrophobicContact CG1-CG2 3.52Å; I128-V151 HydrophobicContact CD1-CB 3.34Å; I128-V151 HydrophobicContact CD1-CG1 3.8Å; I128-V151 HydrophobicContact CD1-CG2 3.66Å |
| 129 | M | 88.6 | Confident | 91.2 | Very high | 57 Ų | 57 | 18.4 Ų | 18.4 | 28% | 0.281 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -59.8 | -32.2 | 176.5 | -67.1 | -65 | -69.8 | 0 | 0 | 111.9 | L125 M126 L131 G132 F361 | L125-M129 WeakPolarHBondContact O-CG 3.39Å; L125-M129 PolarHBondContact O-N 2.88Å; M126-M129 WeakPolarHBondContact O-CB 3.37Å; M126-M129 PolarHBondContact O-N 3Å; M126-M129 VanDerWaalsContact O-N 3.16Å; M129-L131 PolarHBondContact O-N 3.47Å; M129-G132 PolarHBondContact O-N 3.1Å; M129-F361 HydrophobicContact CE-CD2 4.44Å |
| 130 | S | 89.6 | Confident | 91.4 | Very high | 13 Ų | 13 | 18.9 Ų | 18.9 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.9 | -27.2 | 176.3 | 82.2 | 0 | 0 | 0 | 0 | 113.9 | M126 S127 I128 T353 | M126-S130 PolarHBondContact O-N 2.96Å; M126-S130 VanDerWaalsContact O-N 3.08Å; S127-S130 WeakPolarHBondContact O-CB 3.35Å; S127-S130 PolarHBondContact O-N 3.25Å; S127-S130 PolarHBondContact O-OG 3.01Å; I128-S130 PolarHBondContact O-N 3.44Å; S130-T353 WeakPolarHBondContact OG-CG2 3.05Å |
| 131 | L | 88.9 | Confident | 91.5 | Very high | 42 Ų | 42 | 18.2 Ų | 18.2 | 22% | 0.22 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -91.2 | -14.2 | 179.1 | -76.1 | 170.6 | 0 | 0 | 0 | 113 | I128 M129 I133 V304 H344 P346 | I128-L131 PolarHBondContact O-N 3.45Å; M129-L131 PolarHBondContact O-N 3.47Å; L131-I133 VanDerWaalsContact C-N 3.26Å; L131-I133 HydrophobicContact CB-CD1 4.24Å; L131-I133 HydrophobicContact CB-CG1 4.06Å; L131-I133 HydrophobicContact CB-CG2 4.4Å; L131-I133 HydrophobicContact CD1-CD1 4.05Å; L131-I133 PolarHBondContact O-N 3.25Å; L131-V304 HydrophobicContact CD1-CB 4.21Å; L131-V304 HydrophobicContact CD1-CG1 3.71Å; L131-V304 HydrophobicContact CD1-CG2 3.39Å; L131-H344 HydrophobicContact CD1-CB 4.02Å; L131-H344 HydrophobicContact CD2-CB 4.41Å; L131-P346 HydrophobicContact CD2-CB 4.43Å |
| 132 | G | 87.9 | Confident | 91.6 | Very high | 65 Ų | 65 | 18.9 Ų | 18.9 | 67% | 0.67 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 25.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I128 M129 | I128-G132 PolarHBondContact O-N 3.11Å; M129-G132 PolarHBondContact O-N 3.1Å |
| 133 | I | 90.7 | Very high | 91.7 | Very high | 32 Ų | 32 | 20 Ų | 20 | 16% | 0.164 | 13% | 0.125 | C | C | . | . | trans | -102.2 | 149.5 | 174.1 | 65 | -177.4 | 0 | 0 | 0 | 109.7 | I128 L131 N302 V304 | I128-I133 HydrophobicContact CG2-CG1 3.99Å; I128-I133 WeakPolarHBondContact CG2-O 3.45Å; L131-I133 VanDerWaalsContact C-N 3.26Å; L131-I133 HydrophobicContact CB-CD1 4.24Å; L131-I133 HydrophobicContact CB-CG1 4.06Å; L131-I133 HydrophobicContact CB-CG2 4.4Å; L131-I133 HydrophobicContact CD1-CD1 4.05Å; L131-I133 PolarHBondContact O-N 3.25Å; I133-N302 HydrophobicContact CD1-CB 4.25Å; I133-V304 HydrophobicContact CD1-CG2 4.01Å | ||
| 134 | N | 90.7 | Very high | 91.5 | Very high | 86 Ų | 86 | 22.4 Ų | 22.4 | 46% | 0.46 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -88.9 | -33.2 | 179.7 | -67.1 | 2.9 | 0 | 0 | 0 | 112.7 | E153 C154 | N134-E153 PolarHBondContact ND2-OE2 3.24Å; N134-E153 PolarHBondContact O-N 2.86Å; N134-C154 PolarHBondContact O-N 3.42Å |
| 135 | S | 92.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 6% | 0.063 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -129.6 | 130.1 | -172 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | V151 Y152 E153 N302 | S135-V151 CarbonylContact C-O 3.43Å; S135-V151 WeakPolarHBondContact CA-O 3.43Å; S135-Y152 WeakPolarHBondContact OG-CD2 3.46Å; S135-E153 PolarHBondContact OG-N 2.96Å; S135-N302 WeakPolarHBondContact O-CB 3.31Å; S135-N302 PolarHBondContact O-ND2 3.17Å |
| 136 | G | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | 155.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V151 L299 N302 | G136-V151 PolarHBondContact N-O 3.28Å; G136-V151 PolarHBondContact O-N 3.05Å; G136-V151 VanDerWaalsContact O-O 3.07Å; G136-L299 VanDerWaalsContact C-CD2 3.48Å; G136-L299 WeakPolarHBondContact O-CD2 3.4Å; G136-N302 CarbonylContact C-O 3.56Å; G136-N302 WeakPolarHBondContact CA-O 3.38Å |
| 137 | L | 94.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 120.8 | 172.7 | -176.2 | 60.1 | 0 | 0 | 0 | 108.8 | V148 P150 V284 T287 L288 L299 N302 L303 V304 | L137-V148 HydrophobicContact CD1-CG1 3.51Å; L137-V148 HydrophobicContact CD2-CG1 4.43Å; L137-V148 HydrophobicContact CG-CG1 4.01Å; L137-P150 HydrophobicContact CD1-CB 3.86Å; L137-P150 HydrophobicContact CD1-CG 4.42Å; L137-V284 HydrophobicContact CD2-CG1 3.56Å; L137-T287 HydrophobicContact CD1-CG2 3.64Å; L137-L288 HydrophobicContact CD2-CD1 4.08Å; L137-L288 HydrophobicContact CD2-CD2 3.94Å; L137-L288 HydrophobicContact CD2-CG 3.74Å; L137-L299 HydrophobicContact CB-CB 4.35Å; L137-N302 PolarHBondContact N-O 3.15Å; L137-L303 HydrophobicContact CB-CD1 4.03Å; L137-L303 HydrophobicContact CD2-CD1 3.96Å; L137-L303 HydrophobicContact CG-CD1 3.96Å; L137-V304 PolarHBondContact O-N 3.22Å |
| 138 | V | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.7 | -178.6 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | H124 I128 V148 L149 V304 I306 | H124-V138 HydrophobicContact CB-CB 4.16Å; H124-V138 HydrophobicContact CB-CG1 4.23Å; H124-V138 HydrophobicContact CB-CG2 4.46Å; I128-V138 HydrophobicContact CD1-CG2 3.44Å; I128-V138 VanDerWaalsContact CD1-CG2 3.44Å; I128-V138 HydrophobicContact CG1-CG2 3.52Å; V138-V148 WeakPolarHBondContact O-CA 3.31Å; V138-L149 PolarHBondContact N-O 3.02Å; V138-L149 PolarHBondContact O-N 2.64Å; V138-V304 CarbonylContact C-O 3.57Å; V138-V304 WeakPolarHBondContact CA-O 3.4Å; V138-V304 HydrophobicContact CG2-CB 4.26Å; V138-I306 HydrophobicContact CG1-CD1 3.67Å; V138-I306 HydrophobicContact CG1-CG1 4.01Å; V138-I306 HydrophobicContact CG1-CG2 4.48Å |
| 139 | M | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 115.5 | 170.3 | -178.7 | 175.3 | 80 | 0 | 0 | 109.3 | C141 T146 V148 V280 V284 V304 I305 I306 F315 L319 | M139-C141 VanDerWaalsContact CE-SG 3.6Å; M139-T146 HydrophobicContact CG-CG2 3.93Å; M139-T146 HydrophobicContact SD-CG2 4.33Å; M139-V148 HydrophobicContact CB-CG2 3.97Å; M139-V148 HydrophobicContact CG-CG2 3.7Å; M139-V148 HydrophobicContact SD-CG2 4.31Å; M139-V280 HydrophobicContact CE-CG1 3.96Å; M139-V280 HydrophobicContact SD-CG1 3.54Å; M139-V280 VanDerWaalsContact SD-CG1 3.54Å; M139-V284 HydrophobicContact SD-CG2 3.72Å; M139-V304 PolarHBondContact N-O 3.21Å; M139-I305 HydrophobicContact CE-CD1 4.24Å; M139-I305 HydrophobicContact CE-CG1 4.1Å; M139-I305 HydrophobicContact CE-CG2 3.7Å; M139-I306 PolarHBondContact O-N 3.01Å; M139-F315 HydrophobicContact CE-CE1 3.94Å; M139-F315 HydrophobicContact CE-CZ 4.16Å; M139-L319 HydrophobicContact CE-CD1 4.27Å; M139-L319 HydrophobicContact CE-CD2 3.34Å; M139-L319 HydrophobicContact CE-CG 4.43Å; M139-L319 HydrophobicContact SD-CD2 4.34Å |
| 140 | D | 93.9 | Very high | 92.3 | Very high | 30 Ų | 30 | 21.6 Ų | 21.6 | 16% | 0.16 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 103.3 | 175 | -169.4 | -0.5 | 0 | 0 | 0 | 110.7 | G142 T146 L147 I306 G307 | D140-G142 PolarHBondContact O-N 3.24Å; D140-T146 CarbonylContact O-C 3.56Å; D140-T146 VanDerWaalsContact O-CA 3.27Å; D140-T146 WeakPolarHBondContact O-CA 3.47Å; D140-L147 PolarHBondContact N-O 3.41Å; D140-L147 PolarHBondContact O-N 3.36Å; D140-I306 HydrophobicContact CB-CD1 3.82Å; D140-I306 HydrophobicContact CB-CG1 3.62Å; D140-G307 WeakPolarHBondContact OD1-CA 3.31Å |
| 141 | C | 93.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 85.1 | 174.5 | -63.9 | 0 | 0 | 0 | 0 | 110.4 | M139 T146 I306 G307 G308 T309 | M139-C141 VanDerWaalsContact CE-SG 3.6Å; C141-T146 HydrophobicContact CB-CG2 4.42Å; C141-T146 WeakPolarHBondContact SG-CG2 3.37Å; C141-I306 PolarHBondContact N-O 3.46Å; C141-G307 CarbonylContact O-C 3.47Å; C141-G307 WeakPolarHBondContact O-CA 3.44Å; C141-G308 PolarHBondContact O-N 2.93Å; C141-T309 PolarHBondContact O-N 2.9Å; C141-T309 PolarHBondContact O-OG1 3.37Å |
| 142 | G | 91.2 | Very high | 92.7 | Very high | 18 Ų | 18 | 23 Ų | 23 | 19% | 0.186 | 14% | 0.135 | C | C | . | . | trans | -81.7 | -166.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D140 E145 G167 G168 T309 | D140-G142 PolarHBondContact O-N 3.24Å; G142-E145 WeakPolarHBondContact CA-O 3.3Å; G142-E145 PolarHBondContact N-O 3.02Å; G142-G167 WeakPolarHBondContact O-CA 3.33Å; G142-G168 PolarHBondContact O-N 3.21Å; G142-G168 VanDerWaalsContact O-N 3.13Å; G142-T309 PolarHBondContact O-OG1 3.39Å | ||
| 143 | Y | 91.1 | Very high | 92.8 | Very high | 30 Ų | 30 | 24.7 Ų | 24.7 | 12% | 0.118 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -81.5 | -46.3 | 176.6 | 175.7 | -95.7 | 0 | 0 | 0 | 112.1 | A22 A23 K53 G167 G168 K169 H172 E204 | A22-Y143 HydrophobicContact CB-CD1 3.98Å; A23-Y143 HydrophobicContact CB-CD1 4.24Å; A23-Y143 HydrophobicContact CB-CD2 3.69Å; A23-Y143 HydrophobicContact CB-CE2 4.33Å; A23-Y143 HydrophobicContact CB-CG 3.64Å; K53-Y143 PolarHBondContact NZ-OH 2.9Å; K53-Y143 VanDerWaalsContact NZ-OH 3.11Å; Y143-G167 CarbonylContact O-C 3.53Å; Y143-G168 PolarHBondContact O-N 3.22Å; Y143-K169 HydrophobicContact CD1-CB 4.31Å; Y143-K169 HydrophobicContact CE1-CB 3.83Å; Y143-K169 HydrophobicContact CE1-CD 4.33Å; Y143-K169 HydrophobicContact CE1-CG 4.25Å; Y143-K169 HydrophobicContact CE2-CB 4.34Å; Y143-K169 WeakPolarHBondContact O-CB 3.3Å; Y143-K169 PolarHBondContact O-N 2.81Å; Y143-H172 AromaticContact CE2-CE1 3.8Å; Y143-H172 AromaticContact CE2-ND1 3.5Å; Y143-H172 WeakPolarHBondContact CE2-ND1 3.45Å; Y143-E204 VanDerWaalsContact CZ-OE1 3.24Å; Y143-E204 PolarHBondContact OH-OE1 3.23Å |
| 144 | T | 90 | Very high | 92.6 | Very high | 56 Ų | 56 | 25.5 Ų | 25.5 | 34% | 0.344 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -82.5 | -41.1 | -178.6 | 42.5 | 0 | 0 | 0 | 0 | 113.2 | A22 | A22-T144 HydrophobicContact CB-CG2 3.73Š|
| 145 | E | 91.3 | Very high | 92.5 | Very high | 62 Ų | 62 | 27 Ų | 27 | 29% | 0.29 | 14% | 0.141 | S | C | . | . | trans | -149 | 159.9 | -171.8 | 63.1 | -172.6 | 168.1 | 0 | 0 | 110.4 | G142 L164 | G142-E145 WeakPolarHBondContact CA-O 3.3Å; G142-E145 PolarHBondContact N-O 3.02Å; E145-L164 CarbonylContact C-O 3.55Å; E145-L164 VanDerWaalsContact CA-O 3.27Å; E145-L164 WeakPolarHBondContact CA-O 3.26Å; E145-L164 WeakPolarHBondContact CB-O 3.19Å | ||
| 146 | T | 93.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.6 | 163.1 | -67.5 | 0 | 0 | 0 | 0 | 108.3 | M139 D140 C141 A163 L164 L166 V280 L283 | M139-T146 HydrophobicContact CG-CG2 3.93Å; M139-T146 HydrophobicContact SD-CG2 4.33Å; D140-T146 CarbonylContact O-C 3.56Å; D140-T146 VanDerWaalsContact O-CA 3.27Å; D140-T146 WeakPolarHBondContact O-CA 3.47Å; C141-T146 HydrophobicContact CB-CG2 4.42Å; C141-T146 WeakPolarHBondContact SG-CG2 3.37Å; T146-A163 VanDerWaalsContact O-CA 3.31Å; T146-A163 WeakPolarHBondContact O-CA 3.42Å; T146-L164 PolarHBondContact N-O 3.39Å; T146-L164 PolarHBondContact O-N 3.16Å; T146-L166 WeakPolarHBondContact CB-O 3.5Å; T146-L166 PolarHBondContact N-O 3.11Å; T146-L166 PolarHBondContact OG1-O 3.47Å; T146-V280 HydrophobicContact CG2-CG1 4.25Å; T146-L283 HydrophobicContact CG2-CD2 4.03Å |
| 147 | L | 94.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133 | -178.7 | 174.5 | 57.4 | 0 | 0 | 0 | 109.4 | S94 L96 H124 D140 W161 E162 A163 | S94-L147 WeakPolarHBondContact OG-CD2 3.42Å; L96-L147 HydrophobicContact CD1-CD1 3.68Å; L96-L147 HydrophobicContact CD1-CD2 3.98Å; L96-L147 HydrophobicContact CD1-CG 4.47Å; L96-L147 HydrophobicContact CG-CD1 4.42Å; L96-L147 HydrophobicContact CG-CD2 4.09Å; H124-L147 WeakPolarHBondContact CE1-CD2 3.33Å; D140-L147 PolarHBondContact N-O 3.41Å; D140-L147 PolarHBondContact O-N 3.36Å; L147-W161 HydrophobicContact CD1-CB 4.46Å; L147-W161 HydrophobicContact CD1-CE3 3.94Å; L147-E162 WeakPolarHBondContact CD1-O 3.34Å; L147-A163 HydrophobicContact CD1-CB 4.03Å |
| 148 | V | 95 | Very high | 92 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.6 | 171.3 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | L137 V138 M139 W161 E162 L283 V284 T287 | L137-V148 HydrophobicContact CD1-CG1 3.51Å; L137-V148 HydrophobicContact CD2-CG1 4.43Å; L137-V148 HydrophobicContact CG-CG1 4.01Å; V138-V148 WeakPolarHBondContact O-CA 3.31Å; M139-V148 HydrophobicContact CB-CG2 3.97Å; M139-V148 HydrophobicContact CG-CG2 3.7Å; M139-V148 HydrophobicContact SD-CG2 4.31Å; V148-W161 WeakPolarHBondContact O-CA 3.28Å; V148-E162 PolarHBondContact N-O 2.97Å; V148-E162 PolarHBondContact O-N 3.07Å; V148-L283 HydrophobicContact CB-CD2 4.36Å; V148-L283 HydrophobicContact CB-CG 4.26Å; V148-L283 HydrophobicContact CG2-CB 4.21Å; V148-L283 HydrophobicContact CG2-CD2 3.57Å; V148-L283 HydrophobicContact CG2-CG 3.69Å; V148-V284 HydrophobicContact CG2-CG2 4.34Å; V148-T287 HydrophobicContact CG1-CG2 3.77Å; V148-T287 WeakPolarHBondContact CG1-OG1 3.48Å |
| 149 | L | 94.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 124.3 | 176.1 | -172.5 | 78.8 | 0 | 0 | 0 | 111.1 | I95 H124 V138 V151 P156 L158 W161 | I95-L149 HydrophobicContact CD1-CD1 4.33Å; I95-L149 HydrophobicContact CD1-CD2 3.1Å; I95-L149 HydrophobicContact CD1-CG 4.25Å; H124-L149 HydrophobicContact CB-CB 4.16Å; H124-L149 HydrophobicContact CB-CD2 3.6Å; H124-L149 VanDerWaalsContact CD2-CB 3.44Å; H124-L149 WeakPolarHBondContact CD2-CB 3.1Å; V138-L149 PolarHBondContact N-O 3.02Å; V138-L149 PolarHBondContact O-N 2.64Å; L149-V151 HydrophobicContact CD2-CG2 4.22Å; L149-P156 HydrophobicContact CD2-CB 3.65Å; L149-P156 HydrophobicContact CG-CB 4.3Å; L149-L158 HydrophobicContact CD1-CD2 4.3Å; L149-W161 HydrophobicContact CD1-CB 3.88Å |
| 150 | P | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 136.3 | 169.9 | 21.5 | -12.5 | 0 | 0 | 0 | 111 | L137 I157 A160 T287 C291 L299 | L137-P150 HydrophobicContact CD1-CB 3.86Å; L137-P150 HydrophobicContact CD1-CG 4.42Å; P150-I157 HydrophobicContact CG-CB 4.14Å; P150-I157 PolarHBondContact O-N 3.34Å; P150-A160 HydrophobicContact CG-CB 3.78Å; P150-T287 HydrophobicContact CB-CG2 4.35Å; P150-T287 HydrophobicContact CG-CG2 3.64Å; P150-C291 WeakPolarHBondContact CG-SG 3.4Å; P150-L299 HydrophobicContact CB-CD1 3.73Å; P150-L299 HydrophobicContact CB-CD2 4.01Å |
| 151 | V | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.8 | 173.3 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | L125 I128 S135 G136 L149 I155 P156 L299 | L125-V151 HydrophobicContact CD1-CG1 4.1Å; I128-V151 HydrophobicContact CD1-CB 3.34Å; I128-V151 HydrophobicContact CD1-CG1 3.8Å; I128-V151 HydrophobicContact CD1-CG2 3.66Å; S135-V151 CarbonylContact C-O 3.43Å; S135-V151 WeakPolarHBondContact CA-O 3.43Å; G136-V151 PolarHBondContact N-O 3.28Å; G136-V151 PolarHBondContact O-N 3.05Å; G136-V151 VanDerWaalsContact O-O 3.07Å; L149-V151 HydrophobicContact CD2-CG2 4.22Å; V151-I155 WeakPolarHBondContact CA-O 3.38Å; V151-P156 HydrophobicContact CG2-CB 4.3Å; V151-L299 VanDerWaalsContact O-CD2 3.29Å; V151-L299 WeakPolarHBondContact O-CD2 3.45Å |
| 152 | Y | 93.1 | Very high | 91.5 | Very high | 84 Ų | 84 | 43.5 Ų | 43.5 | 33% | 0.329 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.4 | 180 | -173.2 | -96.4 | 0 | 0 | 0 | 109.2 | S135 C154 I155 T295 A298 | S135-Y152 WeakPolarHBondContact OG-CD2 3.46Å; Y152-C154 PolarHBondContact O-N 3.4Å; Y152-I155 PolarHBondContact N-O 3.48Å; Y152-I155 PolarHBondContact O-N 3.34Å; Y152-T295 HydrophobicContact CD1-CG2 4.01Å; Y152-T295 HydrophobicContact CD2-CG2 3.71Å; Y152-T295 HydrophobicContact CE1-CG2 4.21Å; Y152-T295 HydrophobicContact CE2-CG2 3.93Å; Y152-T295 HydrophobicContact CG-CG2 3.76Å; Y152-A298 HydrophobicContact CE2-CB 4.13Å |
| 153 | E | 90.6 | Very high | 91.6 | Very high | 101 Ų | 101 | 43.9 Ų | 43.9 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 46.6 | -174.9 | -62 | -59 | 150.1 | 0 | 0 | 113 | N134 S135 I155 | N134-E153 PolarHBondContact ND2-OE2 3.24Å; N134-E153 PolarHBondContact O-N 2.86Å; S135-E153 PolarHBondContact OG-N 2.96Å; E153-I155 PolarHBondContact O-N 3.13Å; E153-I155 VanDerWaalsContact O-N 3.16Å |
| 154 | C | 85.9 | Confident | 91.6 | Very high | 48 Ų | 48 | 43.3 Ų | 43.3 | 32% | 0.324 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 13.2 | -177.5 | -55.9 | 0 | 0 | 0 | 0 | 115.5 | L125 N134 Y152 | L125-C154 HydrophobicContact CD1-CB 4.33Å; L125-C154 WeakPolarHBondContact CD1-O 3.32Å; N134-C154 PolarHBondContact O-N 3.42Å; Y152-C154 PolarHBondContact O-N 3.4Å |
| 155 | I | 88.5 | Confident | 91.7 | Very high | 118 Ų | 118 | 45.6 Ų | 45.6 | 61% | 0.605 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.3 | 175.2 | -59.5 | 172.4 | 0 | 0 | 0 | 109.3 | V151 Y152 E153 | V151-I155 WeakPolarHBondContact CA-O 3.38Å; Y152-I155 PolarHBondContact N-O 3.48Å; Y152-I155 PolarHBondContact O-N 3.34Å; E153-I155 PolarHBondContact O-N 3.13Å; E153-I155 VanDerWaalsContact O-N 3.16Å |
| 156 | P | 90.5 | Very high | 91.5 | Very high | 34 Ų | 34 | 43.5 Ų | 43.5 | 22% | 0.221 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 132.2 | 175.5 | 29.1 | -32.9 | 0 | 0 | 0 | 111.1 | L149 V151 L158 | L149-P156 HydrophobicContact CD2-CB 3.65Å; L149-P156 HydrophobicContact CG-CB 4.3Å; V151-P156 HydrophobicContact CG2-CB 4.3Å; P156-L158 HydrophobicContact CB-CD2 4.45Å; P156-L158 PolarHBondContact O-N 3.49Å |
| 157 | I | 90.9 | Very high | 91.3 | Very high | 31 Ų | 31 | 43.5 Ų | 43.5 | 16% | 0.159 | 23% | 0.234 | C | C | . | . | trans | -87.5 | 88.3 | 176.5 | -54.4 | 174.3 | 0 | 0 | 0 | 108.4 | P150 S159 A160 T295 | P150-I157 HydrophobicContact CG-CB 4.14Å; P150-I157 PolarHBondContact O-N 3.34Å; I157-S159 WeakPolarHBondContact CG2-OG 3.33Å; I157-S159 PolarHBondContact O-N 3.15Å; I157-A160 HydrophobicContact CG2-CB 3.97Å; I157-A160 PolarHBondContact O-N 3.19Å; I157-T295 HydrophobicContact CD1-CG2 4.39Å | ||
| 158 | L | 89 | Confident | 91.1 | Very high | 77 Ų | 77 | 43.4 Ų | 43.4 | 40% | 0.403 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -13.4 | -177.6 | -62.2 | 178.8 | 0 | 0 | 0 | 114.3 | I95 L149 P156 A160 | I95-L158 HydrophobicContact CG2-CD2 3.77Å; L149-L158 HydrophobicContact CD1-CD2 4.3Å; P156-L158 HydrophobicContact CB-CD2 4.45Å; P156-L158 PolarHBondContact O-N 3.49Å; L158-A160 VanDerWaalsContact C-N 3.26Å |
| 159 | S | 89.1 | Confident | 90.9 | Very high | 99 Ų | 99 | 49.4 Ų | 49.4 | 69% | 0.692 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -15.8 | 174.5 | 58.4 | 0 | 0 | 0 | 0 | 113 | I157 | I157-S159 WeakPolarHBondContact CG2-OG 3.33Å; I157-S159 PolarHBondContact O-N 3.15Å |
| 160 | A | 90.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -115.5 | 12.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P150 I157 L158 T287 K290 | P150-A160 HydrophobicContact CG-CB 3.78Å; I157-A160 HydrophobicContact CG2-CB 3.97Å; I157-A160 PolarHBondContact O-N 3.19Å; L158-A160 VanDerWaalsContact C-N 3.26Å; A160-T287 WeakPolarHBondContact O-CG2 3.42Å; A160-K290 HydrophobicContact CB-CB 3.73Å |
| 161 | W | 92.1 | Very high | 90.5 | Very high | 104 Ų | 104 | 50.3 Ų | 50.3 | 39% | 0.394 | 27% | 0.268 | S | S | . | . | trans | -68.6 | 152.1 | 174.6 | 74.1 | -93.5 | 0 | 0 | 0 | 111.3 | L96 L147 V148 L149 A163 | L96-W161 HydrophobicContact CD1-CD2 4.27Å; L96-W161 HydrophobicContact CD1-CE3 3.61Å; L96-W161 HydrophobicContact CD1-CH2 3.91Å; L96-W161 HydrophobicContact CD1-CZ3 3.4Å; L96-W161 VanDerWaalsContact CD1-CZ3 3.4Å; L96-W161 HydrophobicContact CD2-CD2 4.1Å; L96-W161 HydrophobicContact CD2-CE3 4.26Å; L96-W161 HydrophobicContact CD2-CH2 4.21Å; L96-W161 HydrophobicContact CD2-CZ2 4.04Å; L96-W161 HydrophobicContact CD2-CZ3 4.32Å; L147-W161 HydrophobicContact CD1-CB 4.46Å; L147-W161 HydrophobicContact CD1-CE3 3.94Å; V148-W161 WeakPolarHBondContact O-CA 3.28Å; L149-W161 HydrophobicContact CD1-CB 3.88Å; W161-A163 HydrophobicContact CE3-CB 4.07Å; W161-A163 HydrophobicContact CZ3-CB 3.66Å | ||
| 162 | E | 92.7 | Very high | 90.4 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 20% | 0.201 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 142.4 | 169.7 | -65.2 | -79.3 | -160.3 | 0 | 0 | 109.6 | L147 V148 L283 D286 T287 K290 | L147-E162 WeakPolarHBondContact CD1-O 3.34Å; V148-E162 PolarHBondContact N-O 2.97Å; V148-E162 PolarHBondContact O-N 3.07Å; E162-L283 HydrophobicContact CB-CD1 3.26Å; E162-L283 HydrophobicContact CB-CG 3.9Å; E162-L283 HydrophobicContact CG-CD1 4.18Å; E162-D286 HydrophobicContact CG-CB 4.49Å; E162-T287 WeakPolarHBondContact CG-OG1 3.4Å; E162-K290 HydrophobicContact CG-CD 4.37Å; E162-K290 WeakPolarHBondContact OE1-CE 3.41Å; E162-K290 IonicContact OE1-NZ 3.54Å; E162-K290 PolarHBondContact OE1-NZ 2.92Å; E162-K290 IonicContact OE2-NZ 2.66Å; E162-K290 PolarHBondContact OE2-NZ 3.48Å |
| 163 | A | 92.8 | Very high | 90.3 | Very high | 26 Ų | 26 | 55 Ų | 55 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L96 T146 L147 W161 | L96-A163 HydrophobicContact CD1-CB 4.29Å; T146-A163 VanDerWaalsContact O-CA 3.31Å; T146-A163 WeakPolarHBondContact O-CA 3.42Å; L147-A163 HydrophobicContact CD1-CB 4.03Å; W161-A163 HydrophobicContact CE3-CB 4.07Å; W161-A163 HydrophobicContact CZ3-CB 3.66Å |
| 164 | L | 92.3 | Very high | 90.2 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 9% | 0.094 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 141.7 | 171.8 | -67.3 | 174.4 | 0 | 0 | 0 | 109.8 | E145 T146 L166 K278 L283 | E145-L164 CarbonylContact C-O 3.55Å; E145-L164 VanDerWaalsContact CA-O 3.27Å; E145-L164 WeakPolarHBondContact CA-O 3.26Å; E145-L164 WeakPolarHBondContact CB-O 3.19Å; T146-L164 PolarHBondContact N-O 3.39Å; T146-L164 PolarHBondContact O-N 3.16Å; L164-L166 HydrophobicContact CB-CB 4.26Å; L164-L166 HydrophobicContact CB-CD1 4.31Å; L164-L166 HydrophobicContact CB-CG 4.2Å; L164-L166 HydrophobicContact CD1-CD1 4.04Å; L164-L166 PolarHBondContact O-N 2.86Å; L164-K278 HydrophobicContact CD1-CB 4.39Å; L164-K278 HydrophobicContact CD2-CB 4.18Å; L164-K278 HydrophobicContact CD2-CD 4.01Å; L164-L283 HydrophobicContact CB-CD2 4.46Å; L164-L283 HydrophobicContact CD1-CB 4.22Å; L164-L283 HydrophobicContact CD1-CD1 3.9Å; L164-L283 HydrophobicContact CD1-CD2 4.15Å; L164-L283 HydrophobicContact CD1-CG 4.34Å; L164-L283 HydrophobicContact CD2-CD1 4.44Å; L164-L283 HydrophobicContact CG-CD1 3.7Å; L164-L283 HydrophobicContact CG-CD2 4.08Å; L164-L283 HydrophobicContact CG-CG 4.44Å |
| 165 | P | 90.5 | Very high | 90.3 | Very high | 103 Ų | 103 | 51.3 Ų | 51.3 | 67% | 0.669 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -73.7 | 31.2 | 172.8 | 34.8 | -37 | 0 | 0 | 0 | 112.4 | ||
| 166 | L | 88.1 | Confident | 90.3 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | trans | -99.3 | 102.1 | 175.2 | -64.7 | 176.3 | 0 | 0 | 0 | 107.8 | T146 L164 M269 L270 V280 | T146-L166 WeakPolarHBondContact CB-O 3.5Å; T146-L166 PolarHBondContact N-O 3.11Å; T146-L166 PolarHBondContact OG1-O 3.47Å; L164-L166 HydrophobicContact CB-CB 4.26Å; L164-L166 HydrophobicContact CB-CD1 4.31Å; L164-L166 HydrophobicContact CB-CG 4.2Å; L164-L166 HydrophobicContact CD1-CD1 4.04Å; L164-L166 PolarHBondContact O-N 2.86Å; L166-M269 HydrophobicContact CD2-SD 3.56Å; L166-M269 VanDerWaalsContact CD2-SD 3.56Å; L166-L270 HydrophobicContact CB-CD2 4.4Å; L166-V280 HydrophobicContact CB-CG2 4.42Å; L166-V280 HydrophobicContact CD1-CG2 4.42Å | ||
| 167 | G | 87.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -152.8 | -162.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G142 Y143 K169 A170 I171 | G142-G167 WeakPolarHBondContact O-CA 3.33Å; Y143-G167 CarbonylContact O-C 3.53Å; G167-K169 PolarHBondContact O-N 3.32Å; G167-A170 PolarHBondContact O-N 3.28Å; G167-A170 VanDerWaalsContact O-N 3.16Å; G167-I171 WeakPolarHBondContact O-CG1 3.32Å; G167-I171 PolarHBondContact O-N 3.41Å |
| 168 | G | 89.9 | Confident | 89.9 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.1 | -37.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G142 Y143 I171 H172 | G142-G168 PolarHBondContact O-N 3.21Å; G142-G168 VanDerWaalsContact O-N 3.13Å; Y143-G168 PolarHBondContact O-N 3.22Å; G168-I171 WeakPolarHBondContact O-CB 3.43Å; G168-I171 PolarHBondContact O-N 3.04Å; G168-H172 WeakPolarHBondContact O-CB 3.32Å; G168-H172 PolarHBondContact O-N 2.87Å |
| 169 | K | 90.8 | Very high | 89.6 | Confident | 126 Ų | 126 | 43.7 Ų | 43.7 | 55% | 0.548 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 179.2 | -172 | 178.6 | -178.9 | -179.4 | 0 | 112.7 | Y143 G167 H172 K173 | Y143-K169 HydrophobicContact CD1-CB 4.31Å; Y143-K169 HydrophobicContact CE1-CB 3.83Å; Y143-K169 HydrophobicContact CE1-CD 4.33Å; Y143-K169 HydrophobicContact CE1-CG 4.25Å; Y143-K169 HydrophobicContact CE2-CB 4.34Å; Y143-K169 WeakPolarHBondContact O-CB 3.3Å; Y143-K169 PolarHBondContact O-N 2.81Å; G167-K169 PolarHBondContact O-N 3.32Å; K169-H172 PolarHBondContact O-N 2.84Å; K169-K173 PolarHBondContact O-N 3.15Å |
| 170 | A | 91.3 | Very high | 89.3 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.4 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G167 H172 K173 E174 M269 | G167-A170 PolarHBondContact O-N 3.28Å; G167-A170 VanDerWaalsContact O-N 3.16Å; A170-H172 VanDerWaalsContact C-N 3.35Å; A170-H172 PolarHBondContact O-N 3.48Å; A170-K173 PolarHBondContact O-N 3.14Å; A170-E174 PolarHBondContact O-N 3.22Å; A170-M269 VanDerWaalsContact C-CE 3.42Å; A170-M269 HydrophobicContact CB-CE 3.7Å; A170-M269 HydrophobicContact CB-SD 4.34Å; A170-M269 WeakPolarHBondContact O-CE 3.13Å |
| 171 | I | 91.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 174.2 | -66.5 | 168.5 | 0 | 0 | 0 | 111 | G167 G168 E174 L175 K211 V266 M267 M269 L270 T309 | G167-I171 WeakPolarHBondContact O-CG1 3.32Å; G167-I171 PolarHBondContact O-N 3.41Å; G168-I171 WeakPolarHBondContact O-CB 3.43Å; G168-I171 PolarHBondContact O-N 3.04Å; I171-E174 PolarHBondContact O-N 2.64Å; I171-L175 VanDerWaalsContact O-CB 3.26Å; I171-L175 WeakPolarHBondContact O-CB 3.49Å; I171-L175 PolarHBondContact O-N 3.44Å; I171-K211 HydrophobicContact CG2-CD 3.94Å; I171-K211 HydrophobicContact CG2-CG 4.15Å; I171-V266 HydrophobicContact CG2-CG1 3.77Å; I171-M267 HydrophobicContact CD1-CE 4.39Å; I171-M267 HydrophobicContact CG2-CE 3.56Å; I171-M269 HydrophobicContact CG1-CE 4.34Å; I171-L270 HydrophobicContact CD1-CD1 3.93Å; I171-L270 HydrophobicContact CD1-CD2 4.18Å; I171-L270 HydrophobicContact CD1-CG 4.36Å; I171-L270 HydrophobicContact CG1-CD2 4.21Å; I171-L270 HydrophobicContact CG1-CG 4.45Å; I171-T309 HydrophobicContact CD1-CG2 3.63Å |
| 172 | H | 90.9 | Very high | 88.1 | Confident | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 178.1 | -72.6 | 176.6 | 0 | 0 | 0 | 112.2 | Y143 G168 K169 A170 L175 D176 E204 V207 K211 | Y143-H172 AromaticContact CE2-CE1 3.8Å; Y143-H172 AromaticContact CE2-ND1 3.5Å; Y143-H172 WeakPolarHBondContact CE2-ND1 3.45Å; G168-H172 WeakPolarHBondContact O-CB 3.32Å; G168-H172 PolarHBondContact O-N 2.87Å; K169-H172 PolarHBondContact O-N 2.84Å; A170-H172 VanDerWaalsContact C-N 3.35Å; A170-H172 PolarHBondContact O-N 3.48Å; H172-L175 PolarHBondContact O-N 2.69Å; H172-D176 WeakPolarHBondContact O-CB 3.46Å; H172-D176 PolarHBondContact O-N 2.93Å; H172-E204 IonicContact CE1-OE1 2.98Å; H172-E204 IonicContact ND1-OE1 2.62Å; H172-V207 HydrophobicContact CB-CG1 4Å; H172-K211 PolarHBondContact NE2-NZ 2.84Å |
| 173 | K | 90.2 | Very high | 87 | Confident | 171 Ų | 171 | 45.1 Ų | 45.1 | 74% | 0.743 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.6 | -42.9 | 177.7 | -173.5 | -175.3 | 176.7 | -169 | 0 | 112.2 | K169 A170 G177 | K169-K173 PolarHBondContact O-N 3.15Å; A170-K173 PolarHBondContact O-N 3.14Å; K173-G177 PolarHBondContact O-N 3.41Å |
| 174 | E | 88.6 | Confident | 86.1 | Confident | 67 Ų | 67 | 46.1 Ų | 46.1 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.1 | -41.9 | 178.3 | -174 | 62.8 | -166.6 | 0 | 0 | 111.6 | A170 I171 G177 L178 V266 M269 | A170-E174 PolarHBondContact O-N 3.22Å; I171-E174 PolarHBondContact O-N 2.64Å; E174-G177 PolarHBondContact O-N 3.44Å; E174-L178 HydrophobicContact CG-CD1 4.06Å; E174-L178 WeakPolarHBondContact O-CB 3.48Å; E174-L178 WeakPolarHBondContact O-CG 3.48Å; E174-L178 PolarHBondContact O-N 2.89Å; E174-V266 HydrophobicContact CG-CG2 4.43Å; E174-M269 HydrophobicContact CB-CE 4.17Å |
| 175 | L | 88.7 | Confident | 85.3 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.5 | -166.4 | 120.7 | 0 | 0 | 0 | 110.9 | I171 H172 L178 L179 V207 I210 V266 | I171-L175 VanDerWaalsContact O-CB 3.26Å; I171-L175 WeakPolarHBondContact O-CB 3.49Å; I171-L175 PolarHBondContact O-N 3.44Å; H172-L175 PolarHBondContact O-N 2.69Å; L175-L178 PolarHBondContact O-N 3.37Å; L175-L179 HydrophobicContact CD2-CD1 3.49Å; L175-L179 VanDerWaalsContact CD2-CD1 3.49Å; L175-L179 HydrophobicContact CD2-CG 4.28Å; L175-L179 HydrophobicContact CG-CD1 4.07Å; L175-L179 HydrophobicContact CG-CG 4.34Å; L175-L179 VanDerWaalsContact O-CB 3.24Å; L175-L179 WeakPolarHBondContact O-CB 3.43Å; L175-L179 WeakPolarHBondContact O-CG 3.33Å; L175-L179 PolarHBondContact O-N 2.57Å; L175-V207 HydrophobicContact CB-CG1 4.44Å; L175-V207 HydrophobicContact CD2-CB 4.33Å; L175-V207 HydrophobicContact CD2-CG1 3.55Å; L175-I210 HydrophobicContact CD1-CG2 4.29Å; L175-I210 HydrophobicContact CD2-CB 4.42Å; L175-I210 HydrophobicContact CD2-CG2 4Å; L175-V266 HydrophobicContact CB-CG1 4.3Å; L175-V266 HydrophobicContact CB-CG2 4.31Å; L175-V266 HydrophobicContact CD1-CG1 4.27Å; L175-V266 HydrophobicContact CD1-CG2 4.17Å |
| 176 | D | 87.9 | Confident | 84.4 | Confident | 52 Ų | 52 | 42.1 Ų | 42.1 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 176.1 | -166.3 | 30.8 | 0 | 0 | 0 | 111.4 | H172 L178 L179 V180 | H172-D176 WeakPolarHBondContact O-CB 3.46Å; H172-D176 PolarHBondContact O-N 2.93Å; D176-L178 PolarHBondContact O-N 2.76Å; D176-L179 PolarHBondContact O-N 2.83Å; D176-V180 WeakPolarHBondContact O-CB 3.34Å; D176-V180 VanDerWaalsContact O-CG2 3.25Å; D176-V180 WeakPolarHBondContact O-CG2 3.32Å; D176-V180 PolarHBondContact O-N 3.23Å |
| 177 | G | 87.1 | Confident | 83.5 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 34% | 0.34 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58 | -50.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K173 E174 V180 E181 | K173-G177 PolarHBondContact O-N 3.41Å; E174-G177 PolarHBondContact O-N 3.44Å; G177-V180 PolarHBondContact O-N 3.35Å; G177-E181 WeakPolarHBondContact O-CG 3.4Å; G177-E181 PolarHBondContact O-N 3.1Å; G177-E181 VanDerWaalsContact O-N 3.15Å |
| 178 | L | 85.4 | Confident | 82.3 | Confident | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.1 | -33.2 | -178.6 | -71.3 | 173.3 | 0 | 0 | 0 | 113.2 | E174 L175 D176 Q182 I262 V266 | E174-L178 HydrophobicContact CG-CD1 4.06Å; E174-L178 WeakPolarHBondContact O-CB 3.48Å; E174-L178 WeakPolarHBondContact O-CG 3.48Å; E174-L178 PolarHBondContact O-N 2.89Å; L175-L178 PolarHBondContact O-N 3.37Å; D176-L178 PolarHBondContact O-N 2.76Å; L178-Q182 WeakPolarHBondContact O-CB 3.38Å; L178-Q182 PolarHBondContact O-N 3.03Å; L178-I262 HydrophobicContact CB-CG1 4.48Å; L178-I262 HydrophobicContact CB-CG2 3.85Å; L178-I262 HydrophobicContact CD1-CG2 4.31Å; L178-V266 HydrophobicContact CD1-CG2 3.54Å |
| 179 | L | 83.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.4 | -52.6 | 172.8 | -75.8 | 175.5 | 0 | 0 | 0 | 109.4 | L175 D176 E181 Q182 C183 L195 I202 I210 I258 I262 | L175-L179 HydrophobicContact CD2-CD1 3.49Å; L175-L179 VanDerWaalsContact CD2-CD1 3.49Å; L175-L179 HydrophobicContact CD2-CG 4.28Å; L175-L179 HydrophobicContact CG-CD1 4.07Å; L175-L179 HydrophobicContact CG-CG 4.34Å; L175-L179 VanDerWaalsContact O-CB 3.24Å; L175-L179 WeakPolarHBondContact O-CB 3.43Å; L175-L179 WeakPolarHBondContact O-CG 3.33Å; L175-L179 PolarHBondContact O-N 2.57Å; D176-L179 PolarHBondContact O-N 2.83Å; L179-E181 PolarHBondContact O-N 2.84Å; L179-Q182 PolarHBondContact O-N 3.46Å; L179-C183 HydrophobicContact CB-CB 4.43Å; L179-C183 HydrophobicContact CD2-CB 4.05Å; L179-C183 WeakPolarHBondContact O-CB 3.48Å; L179-C183 PolarHBondContact O-N 3.17Å; L179-L195 HydrophobicContact CB-CD1 3.79Å; L179-L195 WeakPolarHBondContact O-CD1 3.48Å; L179-I202 HydrophobicContact CB-CD1 4.46Å; L179-I202 HydrophobicContact CD1-CD1 3.89Å; L179-I210 HydrophobicContact CD1-CD1 4.34Å; L179-I258 HydrophobicContact CD2-CG1 4.26Å; L179-I262 HydrophobicContact CD2-CD1 4.45Å |
| 180 | V | 83 | Confident | 79.3 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.9 | -38.2 | -179.9 | 169.7 | 0 | 0 | 0 | 0 | 112.2 | D176 G177 P196 | D176-V180 WeakPolarHBondContact O-CB 3.34Å; D176-V180 VanDerWaalsContact O-CG2 3.25Å; D176-V180 WeakPolarHBondContact O-CG2 3.32Å; D176-V180 PolarHBondContact O-N 3.23Å; G177-V180 PolarHBondContact O-N 3.35Å; V180-P196 HydrophobicContact CG1-CB 4.25Å; V180-P196 HydrophobicContact CG1-CG 4.26Å; V180-P196 WeakPolarHBondContact O-CD 3.43Å |
| 181 | E | 80.7 | Confident | 77.5 | Confident | 148 Ų | 148 | 56 Ų | 56 | 69% | 0.692 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -76.5 | -41.8 | -179.6 | -72 | 179.2 | -178.3 | 0 | 0 | 114.3 | G177 L179 | G177-E181 WeakPolarHBondContact O-CG 3.4Å; G177-E181 PolarHBondContact O-N 3.1Å; G177-E181 VanDerWaalsContact O-N 3.15Å; L179-E181 PolarHBondContact O-N 2.84Å |
| 182 | Q | 75.2 | Confident | 75.9 | Confident | 64 Ų | 64 | 58 Ų | 58 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -121.4 | -10.7 | -160.5 | -61 | -179.9 | 24.7 | 0 | 0 | 115.1 | L178 L179 K259 I262 | L178-Q182 WeakPolarHBondContact O-CB 3.38Å; L178-Q182 PolarHBondContact O-N 3.03Å; L179-Q182 PolarHBondContact O-N 3.46Å; Q182-K259 WeakPolarHBondContact O-CE 3.48Å; Q182-K259 PolarHBondContact O-NZ 3.01Å; Q182-I262 HydrophobicContact CB-CD1 3.94Å; Q182-I262 HydrophobicContact CB-CG1 4.35Å |
| 183 | C | 70.3 | Confident | 74.5 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.02 | 35% | 0.348 | C | S | . | . | trans | -86.7 | 140.7 | -175.9 | -166.7 | 0 | 0 | 0 | 0 | 112 | L179 L195 H257 | L179-C183 HydrophobicContact CB-CB 4.43Å; L179-C183 HydrophobicContact CD2-CB 4.05Å; L179-C183 WeakPolarHBondContact O-CB 3.48Å; L179-C183 PolarHBondContact O-N 3.17Å; C183-L195 HydrophobicContact CB-CD1 3.45Å; C183-L195 VanDerWaalsContact CB-CD1 3.45Å; C183-L195 HydrophobicContact CB-CG 4.03Å; C183-H257 PolarHBondContact SG-O 3.43Å; C183-H257 VanDerWaalsContact SG-O 3.4Å | ||
| 184 | T | 74.3 | Confident | 73 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 29% | 0.288 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.8 | 172.3 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | H257 | T184-H257 PolarHBondContact O-N 3.02Å |
| 185 | V | 76.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.4 | 175 | -170.2 | 0 | 0 | 0 | 0 | 108.5 | G192 Q193 L195 K254 L256 | V185-G192 PolarHBondContact O-N 3.48Å; V185-Q193 PolarHBondContact N-O 2.9Å; V185-Q193 PolarHBondContact O-N 3.49Å; V185-L195 HydrophobicContact CG2-CD2 3.35Å; V185-L195 HydrophobicContact CG2-CG 3.75Å; V185-K254 HydrophobicContact CG1-CB 4.25Å; V185-L256 HydrophobicContact CB-CD2 4.29Å; V185-L256 HydrophobicContact CG1-CD2 4.12Å; V185-L256 HydrophobicContact CG2-CD2 3.65Å |
| 186 | D | 70.7 | Confident | 70 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 20% | 0.198 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.6 | 167.4 | -74.2 | -1.8 | 0 | 0 | 0 | 108.8 | T191 G192 K254 I255 H257 | D186-T191 WeakPolarHBondContact OD1-CA 3.18Å; D186-T191 VanDerWaalsContact OD2-CG2 3.28Å; D186-T191 WeakPolarHBondContact OD2-CG2 3.39Å; D186-G192 PolarHBondContact OD1-N 2.98Å; D186-K254 WeakPolarHBondContact O-CA 3.48Å; D186-I255 PolarHBondContact N-O 2.8Å; D186-I255 PolarHBondContact O-N 2.89Å; D186-H257 IonicContact OD2-CD2 3.99Å; D186-H257 IonicContact OD2-NE2 3.43Å; D186-H257 PolarHBondContact OD2-NE2 3.18Å |
| 187 | S | 69.9 | Low | 68.4 | Low | 27 Ų | 27 | 59.7 Ų | 59.7 | 19% | 0.189 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 156.9 | 166.8 | -63 | 0 | 0 | 0 | 0 | 108.6 | S189 S190 | S187-S189 PolarHBondContact O-N 3.4Å; S187-S190 PolarHBondContact N-O 3.4Å; S187-S190 CarbonylContact O-C 3.6Å; S187-S190 PolarHBondContact O-N 2.97Å |
| 188 | D | 61.6 | Low | 67 | Low | 158 Ų | 158 | 60 Ų | 60 | 85% | 0.845 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -19.8 | -175.8 | -73.1 | -22.7 | 0 | 0 | 0 | 115.8 | ||
| 189 | S | 60.1 | Low | 65.8 | Low | 119 Ų | 119 | 61 Ų | 61 | 83% | 0.832 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | -8.9 | -178.5 | 53.9 | 0 | 0 | 0 | 0 | 115.5 | S187 | S187-S189 PolarHBondContact O-N 3.4Š|
| 190 | S | 57.1 | Low | 64.7 | Low | 36 Ų | 36 | 65 Ų | 65 | 25% | 0.252 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 126.3 | 177.1 | 61.5 | 0 | 0 | 0 | 0 | 112.6 | S187 Q193 | S187-S190 PolarHBondContact N-O 3.4Å; S187-S190 CarbonylContact O-C 3.6Å; S187-S190 PolarHBondContact O-N 2.97Å; S190-Q193 VanDerWaalsContact OG-CD 3.29Å; S190-Q193 PolarHBondContact OG-NE2 3.41Å |
| 191 | T | 54 | Low | 64 | Low | 120 Ų | 120 | 66.1 Ų | 66.1 | 74% | 0.736 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 132.5 | 172.6 | 9.1 | 0 | 0 | 0 | 0 | 110.3 | D186 | D186-T191 WeakPolarHBondContact OD1-CA 3.18Å; D186-T191 VanDerWaalsContact OD2-CG2 3.28Å; D186-T191 WeakPolarHBondContact OD2-CG2 3.39Å |
| 192 | G | 57.4 | Low | 63.8 | Low | 45 Ų | 45 | 59.7 Ų | 59.7 | 46% | 0.464 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 85 | 40.2 | 167 | 0 | 0 | 0 | 0 | 0 | 117.2 | V185 D186 | V185-G192 PolarHBondContact O-N 3.48Å; D186-G192 PolarHBondContact OD1-N 2.98Å |
| 193 | Q | 61.3 | Low | 64.2 | Low | 76 Ų | 76 | 60.2 Ų | 60.2 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 136.7 | 170.5 | -66.7 | -172.7 | -26.7 | 0 | 0 | 111.3 | V185 S190 V198 | V185-Q193 PolarHBondContact N-O 2.9Å; V185-Q193 PolarHBondContact O-N 3.49Å; S190-Q193 VanDerWaalsContact OG-CD 3.29Å; S190-Q193 PolarHBondContact OG-NE2 3.41Å; Q193-V198 HydrophobicContact CB-CG2 3.76Å |
| 194 | S | 59.3 | Low | 64.8 | Low | 68 Ų | 68 | 63.5 Ų | 63.5 | 48% | 0.476 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 136.5 | 173.8 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | P196 T197 | S194-P196 VanDerWaalsContact C-CD 3.41Å; S194-T197 PolarHBondContact O-N 2.85Å; S194-T197 VanDerWaalsContact O-N 3.1Å |
| 195 | L | 57.7 | Low | 65.3 | Low | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.016 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -43.9 | -47.5 | 178.6 | -86.1 | 177 | 0 | 0 | 0 | 116 | L179 C183 V185 T197 V198 I199 I202 L256 | L179-L195 HydrophobicContact CB-CD1 3.79Å; L179-L195 WeakPolarHBondContact O-CD1 3.48Å; C183-L195 HydrophobicContact CB-CD1 3.45Å; C183-L195 VanDerWaalsContact CB-CD1 3.45Å; C183-L195 HydrophobicContact CB-CG 4.03Å; V185-L195 HydrophobicContact CG2-CD2 3.35Å; V185-L195 HydrophobicContact CG2-CG 3.75Å; L195-T197 PolarHBondContact O-N 2.77Å; L195-V198 PolarHBondContact O-N 2.6Å; L195-I199 HydrophobicContact CD2-CD1 4.45Å; L195-I199 PolarHBondContact O-N 3.41Å; L195-I199 VanDerWaalsContact O-O 3.14Å; L195-I202 HydrophobicContact CD1-CD1 4.08Å; L195-I202 HydrophobicContact CD2-CD1 4.41Å; L195-L256 HydrophobicContact CD2-CD2 3.77Å |
| 196 | P | 57.5 | Low | 65.8 | Low | 75 Ų | 75 | 68.8 Ų | 68.8 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.9 | -16.9 | -175.4 | 21.3 | -33 | 0 | 0 | 0 | 114.3 | V180 S194 | V180-P196 HydrophobicContact CG1-CB 4.25Å; V180-P196 HydrophobicContact CG1-CG 4.26Å; V180-P196 WeakPolarHBondContact O-CD 3.43Å; S194-P196 VanDerWaalsContact C-CD 3.41Å |
| 197 | T | 54.3 | Low | 66.7 | Low | 118 Ų | 118 | 67.2 Ų | 67.2 | 72% | 0.724 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -85.9 | -21 | 177.4 | -49 | 0 | 0 | 0 | 0 | 112.4 | S194 L195 | S194-T197 PolarHBondContact O-N 2.85Å; S194-T197 VanDerWaalsContact O-N 3.1Å; L195-T197 PolarHBondContact O-N 2.77Å |
| 198 | V | 56.2 | Low | 67.6 | Low | 41 Ų | 41 | 67.7 Ų | 67.7 | 25% | 0.248 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -113.3 | -33.8 | -170.9 | -172.8 | 0 | 0 | 0 | 0 | 112.5 | Q193 L195 | Q193-V198 HydrophobicContact CB-CG2 3.76Å; L195-V198 PolarHBondContact O-N 2.6Å |
| 199 | I | 60.8 | Low | 68.9 | Low | 35 Ų | 35 | 62 Ų | 62 | 18% | 0.179 | 40% | 0.395 | C | S | . | . | trans | -138.7 | 120 | -176.3 | -56 | 178 | 0 | 0 | 0 | 108.2 | L195 S201 I202 L250 | L195-I199 HydrophobicContact CD2-CD1 4.45Å; L195-I199 PolarHBondContact O-N 3.41Å; L195-I199 VanDerWaalsContact O-O 3.14Å; I199-S201 WeakPolarHBondContact CG2-O 3.28Å; I199-I202 HydrophobicContact CG2-CG1 4.46Å; I199-L250 HydrophobicContact CD1-CD2 3.4Å | ||
| 200 | G | 62 | Low | 70.3 | Confident | 83 Ų | 83 | 56.4 Ų | 56.4 | 86% | 0.856 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -70.9 | -33.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 201 | S | 68.1 | Low | 71.9 | Confident | 86 Ų | 86 | 55.7 Ų | 55.7 | 60% | 0.601 | 35% | 0.347 | S | S | * | . | trans | -157.4 | 135.5 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | I199 | I199-S201 WeakPolarHBondContact CG2-O 3.28Š| ||
| 202 | I | 75.9 | Confident | 73.6 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | trans | -81.4 | 135.3 | 176.8 | -56.9 | 173.7 | 0 | 0 | 0 | 108.1 | L179 L195 I199 V206 V207 | L179-I202 HydrophobicContact CB-CD1 4.46Å; L179-I202 HydrophobicContact CD1-CD1 3.89Å; L195-I202 HydrophobicContact CD1-CD1 4.08Å; L195-I202 HydrophobicContact CD2-CD1 4.41Å; I199-I202 HydrophobicContact CG2-CG1 4.46Å; I202-V206 HydrophobicContact CG2-CB 3.89Å; I202-V206 HydrophobicContact CG2-CG1 3.76Å; I202-V207 HydrophobicContact CB-CG2 4.1Å; I202-V207 HydrophobicContact CG2-CG2 3.83Å | ||
| 203 | P | 82.9 | Confident | 75.1 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | trans | -61.4 | 142.3 | 176 | 25.4 | -33.7 | 0 | 0 | 0 | 111.2 | E205 V206 V207 | P203-E205 PolarHBondContact O-N 3.49Å; P203-V206 HydrophobicContact CG-CB 4.06Å; P203-V206 HydrophobicContact CG-CG2 3.69Å; P203-V206 PolarHBondContact O-N 2.95Å; P203-V207 PolarHBondContact O-N 3.27Å | ||
| 204 | E | 82.8 | Confident | 76.2 | Confident | 71 Ų | 71 | 57.1 Ų | 57.1 | 33% | 0.332 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.4 | -31.2 | -174.9 | -167.1 | 179.4 | 151.9 | 0 | 0 | 113.1 | K53 Y143 H172 V206 V207 E208 | K53-E204 WeakPolarHBondContact CE-OE2 3.37Å; K53-E204 IonicContact NZ-OE1 2.98Å; K53-E204 PolarHBondContact NZ-OE1 2.91Å; K53-E204 IonicContact NZ-OE2 3.43Å; K53-E204 PolarHBondContact NZ-OE2 2.94Å; Y143-E204 VanDerWaalsContact CZ-OE1 3.24Å; Y143-E204 PolarHBondContact OH-OE1 3.23Å; H172-E204 IonicContact CE1-OE1 2.98Å; H172-E204 IonicContact ND1-OE1 2.62Å; E204-V206 VanDerWaalsContact C-N 3.32Å; E204-V206 PolarHBondContact O-N 2.97Å; E204-V207 PolarHBondContact O-N 2.74Å; E204-E208 WeakPolarHBondContact O-CB 3.44Å; E204-E208 PolarHBondContact O-N 2.83Å |
| 205 | E | 84.8 | Confident | 77.5 | Confident | 140 Ų | 140 | 54.1 Ų | 54.1 | 65% | 0.654 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.4 | -40.4 | 175.3 | -62.1 | -175.8 | 173.5 | 0 | 0 | 112.1 | P203 E208 D209 | P203-E205 PolarHBondContact O-N 3.49Å; E205-E208 PolarHBondContact O-N 3.43Å; E205-D209 PolarHBondContact O-N 3.42Å |
| 206 | V | 87.8 | Confident | 79 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.9 | -41.1 | 178.2 | 171 | 0 | 0 | 0 | 0 | 110.6 | I202 P203 E204 E208 D209 I210 Y248 L250 | I202-V206 HydrophobicContact CG2-CB 3.89Å; I202-V206 HydrophobicContact CG2-CG1 3.76Å; P203-V206 HydrophobicContact CG-CB 4.06Å; P203-V206 HydrophobicContact CG-CG2 3.69Å; P203-V206 PolarHBondContact O-N 2.95Å; E204-V206 VanDerWaalsContact C-N 3.32Å; E204-V206 PolarHBondContact O-N 2.97Å; V206-E208 VanDerWaalsContact C-N 3.26Å; V206-E208 PolarHBondContact O-N 2.87Å; V206-D209 PolarHBondContact O-N 3.24Å; V206-I210 HydrophobicContact CG1-CD1 3.85Å; V206-I210 HydrophobicContact CG1-CG1 4.37Å; V206-I210 WeakPolarHBondContact O-CB 3.4Å; V206-I210 VanDerWaalsContact O-CG1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.49Å; V206-I210 PolarHBondContact O-N 3.43Å; V206-Y248 HydrophobicContact CG1-CE1 3.68Å; V206-L250 HydrophobicContact CG1-CD1 3.87Å; V206-L250 HydrophobicContact CG2-CD1 4.21Å |
| 207 | V | 88.8 | Confident | 80.5 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 174.5 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | H172 L175 I202 P203 E204 K211 | H172-V207 HydrophobicContact CB-CG1 4Å; L175-V207 HydrophobicContact CB-CG1 4.44Å; L175-V207 HydrophobicContact CD2-CB 4.33Å; L175-V207 HydrophobicContact CD2-CG1 3.55Å; I202-V207 HydrophobicContact CB-CG2 4.1Å; I202-V207 HydrophobicContact CG2-CG2 3.83Å; P203-V207 PolarHBondContact O-N 3.27Å; E204-V207 PolarHBondContact O-N 2.74Å; V207-K211 WeakPolarHBondContact O-CB 3.27Å; V207-K211 PolarHBondContact O-N 2.83Å |
| 208 | E | 88.9 | Confident | 82.1 | Confident | 36 Ų | 36 | 48 Ų | 48 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 173.5 | 176.7 | 145.6 | -121.4 | 0 | 0 | 113.1 | Y24 E204 E205 V206 I210 K211 V212 | Y24-E208 WeakPolarHBondContact CE2-OE2 3.38Å; Y24-E208 VanDerWaalsContact CZ-OE2 3.32Å; Y24-E208 VanDerWaalsContact OH-CD 3.25Å; Y24-E208 PolarHBondContact OH-OE2 3.15Å; E204-E208 WeakPolarHBondContact O-CB 3.44Å; E204-E208 PolarHBondContact O-N 2.83Å; E205-E208 PolarHBondContact O-N 3.43Å; V206-E208 VanDerWaalsContact C-N 3.26Å; V206-E208 PolarHBondContact O-N 2.87Å; E208-I210 PolarHBondContact O-N 2.82Å; E208-K211 WeakPolarHBondContact O-CB 3.26Å; E208-K211 PolarHBondContact O-N 2.9Å; E208-K211 IonicContact OE1-NZ 3.95Å; E208-K211 PolarHBondContact OE1-NZ 3.16Å; E208-V212 HydrophobicContact CG-CG2 4.42Å; E208-V212 WeakPolarHBondContact O-CG2 3.47Å; E208-V212 PolarHBondContact O-N 2.93Å |
| 209 | D | 90 | Very high | 83.7 | Confident | 40 Ų | 40 | 50.5 Ų | 50.5 | 21% | 0.214 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 178.7 | -169 | 49.6 | 0 | 0 | 0 | 111.8 | E205 V206 K211 V212 R213 Y248 | E205-D209 PolarHBondContact O-N 3.42Å; V206-D209 PolarHBondContact O-N 3.24Å; D209-K211 PolarHBondContact O-N 3.26Å; D209-V212 PolarHBondContact O-N 3.24Å; D209-R213 WeakPolarHBondContact O-CB 3.47Å; D209-R213 WeakPolarHBondContact O-CG 3.39Å; D209-R213 PolarHBondContact O-N 2.84Å; D209-R213 IonicContact OD1-CZ 3.99Å; D209-R213 IonicContact OD1-NE 2.81Å; D209-R213 PolarHBondContact OD1-NE 3.19Å; D209-R213 IonicContact OD1-NH2 3.09Å; D209-R213 PolarHBondContact OD1-NH2 3.37Å; D209-R213 IonicContact OD2-CZ 3.39Å; D209-R213 IonicContact OD2-NE 2.79Å; D209-R213 PolarHBondContact OD2-NE 3.23Å; D209-R213 IonicContact OD2-NH1 3.2Å; D209-R213 PolarHBondContact OD2-NH1 3.37Å; D209-R213 IonicContact OD2-NH2 2.68Å; D209-R213 PolarHBondContact OD2-NH2 3.26Å; D209-Y248 WeakPolarHBondContact OD2-CE2 3.27Å; D209-Y248 PolarHBondContact OD2-OH 2.88Å |
| 210 | I | 89.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.2 | -48.2 | 171.5 | -69.6 | 167.8 | 0 | 0 | 0 | 110.3 | L175 L179 V206 E208 V212 R213 T214 Y248 L256 I258 | L175-I210 HydrophobicContact CD1-CG2 4.29Å; L175-I210 HydrophobicContact CD2-CB 4.42Å; L175-I210 HydrophobicContact CD2-CG2 4Å; L179-I210 HydrophobicContact CD1-CD1 4.34Å; V206-I210 HydrophobicContact CG1-CD1 3.85Å; V206-I210 HydrophobicContact CG1-CG1 4.37Å; V206-I210 WeakPolarHBondContact O-CB 3.4Å; V206-I210 VanDerWaalsContact O-CG1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.49Å; V206-I210 PolarHBondContact O-N 3.43Å; E208-I210 PolarHBondContact O-N 2.82Å; I210-V212 VanDerWaalsContact C-N 3.33Å; I210-V212 PolarHBondContact O-N 2.93Å; I210-R213 PolarHBondContact O-N 3.03Å; I210-T214 HydrophobicContact CG2-CG2 4.31Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.48Å; I210-T214 WeakPolarHBondContact O-CB 3.33Å; I210-T214 PolarHBondContact O-N 3.46Å; I210-T214 PolarHBondContact O-OG1 2.99Å; I210-Y248 HydrophobicContact CD1-CD1 4.15Å; I210-Y248 HydrophobicContact CD1-CE1 4.29Å; I210-Y248 HydrophobicContact CD1-CG 4.37Å; I210-Y248 HydrophobicContact CG1-CD1 4.04Å; I210-Y248 HydrophobicContact CG1-CD2 3.78Å; I210-Y248 HydrophobicContact CG1-CE1 4.1Å; I210-Y248 HydrophobicContact CG1-CE2 3.83Å; I210-Y248 HydrophobicContact CG1-CG 3.88Å; I210-L256 HydrophobicContact CD1-CD1 4.49Å; I210-I258 HydrophobicContact CB-CD1 4.47Å; I210-I258 HydrophobicContact CD1-CD1 4.17Å; I210-I258 HydrophobicContact CG1-CD1 4.09Å; I210-I258 HydrophobicContact CG2-CD1 3.58Å |
| 211 | K | 90.3 | Very high | 86.3 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 177.7 | 173.9 | -165 | 69.9 | -172 | 0 | 111.5 | I171 H172 V207 E208 D209 C215 | I171-K211 HydrophobicContact CG2-CD 3.94Å; I171-K211 HydrophobicContact CG2-CG 4.15Å; H172-K211 PolarHBondContact NE2-NZ 2.84Å; V207-K211 WeakPolarHBondContact O-CB 3.27Å; V207-K211 PolarHBondContact O-N 2.83Å; E208-K211 WeakPolarHBondContact O-CB 3.26Å; E208-K211 PolarHBondContact O-N 2.9Å; E208-K211 IonicContact OE1-NZ 3.95Å; E208-K211 PolarHBondContact OE1-NZ 3.16Å; D209-K211 PolarHBondContact O-N 3.26Å; K211-C215 VanDerWaalsContact O-CB 3.27Å; K211-C215 WeakPolarHBondContact O-CB 3.33Å; K211-C215 PolarHBondContact O-N 2.93Å |
| 212 | V | 90.4 | Very high | 87.1 | Confident | 98 Ų | 98 | 53.9 Ų | 53.9 | 59% | 0.594 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -71.2 | -40 | -177 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | E208 D209 I210 | E208-V212 HydrophobicContact CG-CG2 4.42Å; E208-V212 WeakPolarHBondContact O-CG2 3.47Å; E208-V212 PolarHBondContact O-N 2.93Å; D209-V212 PolarHBondContact O-N 3.24Å; I210-V212 VanDerWaalsContact C-N 3.33Å; I210-V212 PolarHBondContact O-N 2.93Å |
| 213 | R | 87.7 | Confident | 87.5 | Confident | 169 Ų | 169 | 53.2 Ų | 53.2 | 64% | 0.638 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -84.5 | -36.3 | -175.4 | -65 | -177.2 | -166.8 | -180 | 9.4 | 113.6 | D209 I210 | D209-R213 WeakPolarHBondContact O-CB 3.47Å; D209-R213 WeakPolarHBondContact O-CG 3.39Å; D209-R213 PolarHBondContact O-N 2.84Å; D209-R213 IonicContact OD1-CZ 3.99Å; D209-R213 IonicContact OD1-NE 2.81Å; D209-R213 PolarHBondContact OD1-NE 3.19Å; D209-R213 IonicContact OD1-NH2 3.09Å; D209-R213 PolarHBondContact OD1-NH2 3.37Å; D209-R213 IonicContact OD2-CZ 3.39Å; D209-R213 IonicContact OD2-NE 2.79Å; D209-R213 PolarHBondContact OD2-NE 3.23Å; D209-R213 IonicContact OD2-NH1 3.2Å; D209-R213 PolarHBondContact OD2-NH1 3.37Å; D209-R213 IonicContact OD2-NH2 2.68Å; D209-R213 PolarHBondContact OD2-NH2 3.26Å; I210-R213 PolarHBondContact O-N 3.03Å |
| 214 | T | 84.8 | Confident | 87.6 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -105.2 | -37.3 | -168.5 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | I210 V246 I258 R263 | I210-T214 HydrophobicContact CG2-CG2 4.31Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.48Å; I210-T214 WeakPolarHBondContact O-CB 3.33Å; I210-T214 PolarHBondContact O-N 3.46Å; I210-T214 PolarHBondContact O-OG1 2.99Å; T214-V246 HydrophobicContact CG2-CG1 4.1Å; T214-I258 HydrophobicContact CG2-CD1 4.26Å; T214-R263 PolarHBondContact O-NE 2.98Å; T214-R263 PolarHBondContact O-NH2 3.37Å |
| 215 | C | 86.8 | Confident | 87.8 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | trans | -75.7 | 141.8 | -172.8 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | K211 M267 | K211-C215 VanDerWaalsContact O-CB 3.27Å; K211-C215 WeakPolarHBondContact O-CB 3.33Å; K211-C215 PolarHBondContact O-N 2.93Å; C215-M267 HydrophobicContact CB-CE 3.53Å; C215-M267 HydrophobicContact CB-CG 4.15Å; C215-M267 HydrophobicContact CB-SD 4.12Å | ||
| 216 | F | 88.2 | Confident | 87.6 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 23% | 0.232 | 23% | 0.23 | C | C | . | . | trans | -142.4 | 152.5 | 173 | 66.8 | -87.9 | 0 | 0 | 0 | 109.7 | P243 D264 M267 P313 | F216-P243 HydrophobicContact CE1-CB 3.92Å; F216-P243 HydrophobicContact CE1-CG 3.99Å; F216-P243 HydrophobicContact CZ-CB 3.72Å; F216-P243 HydrophobicContact CZ-CG 3.84Å; F216-D264 WeakPolarHBondContact CE2-OD1 3.25Å; F216-D264 WeakPolarHBondContact CZ-OD1 3.45Å; F216-M267 WeakPolarHBondContact O-CG 3.5Å; F216-P313 HydrophobicContact CB-CG 3.92Å | ||
| 217 | V | 89.3 | Confident | 87.3 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -87.4 | 125.4 | -179.2 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | F271 L312 P313 F315 R318 | V217-F271 HydrophobicContact CG1-CE2 3.76Å; V217-F271 HydrophobicContact CG1-CZ 4.41Å; V217-L312 HydrophobicContact CG2-CB 3.94Å; V217-L312 HydrophobicContact CG2-CD1 4.43Å; V217-P313 PolarHBondContact N-O 3.39Å; V217-F315 HydrophobicContact CG2-CB 3.96Å; V217-F315 HydrophobicContact CG2-CD2 4.14Å; V217-R318 HydrophobicContact CG1-CB 3.54Å; V217-R318 HydrophobicContact CG1-CG 3.71Å |
| 218 | S | 88.8 | Confident | 87 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 149.6 | 176.7 | -80.4 | 0 | 0 | 0 | 0 | 112.5 | R222 R318 | S218-R222 WeakPolarHBondContact OG-CD 3.48Å; S218-R318 VanDerWaalsContact O-CD 3.31Å; S218-R318 WeakPolarHBondContact O-CD 3.36Å; S218-R318 PolarHBondContact O-NH1 3.28Å |
| 219 | D | 90.1 | Very high | 86.5 | Confident | 93 Ų | 93 | 53.6 Ų | 53.6 | 50% | 0.497 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 155.3 | 173.2 | -74.2 | -36.2 | 0 | 0 | 0 | 112.6 | K221 R222 G223 H317 | D219-K221 PolarHBondContact O-N 3.11Å; D219-R222 WeakPolarHBondContact O-CA 3.5Å; D219-R222 WeakPolarHBondContact O-CB 3.49Å; D219-R222 PolarHBondContact O-N 3.43Å; D219-G223 PolarHBondContact O-N 3.23Å; D219-H317 IonicContact OD1-CE1 2.88Å; D219-H317 IonicContact OD1-ND1 3.69Å; D219-H317 PolarHBondContact OD1-ND1 3.01Å |
| 220 | L | 88.7 | Confident | 85.8 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -50 | -49.8 | -179.6 | 176.9 | 66.8 | 0 | 0 | 0 | 113.3 | R222 G223 L224 A321 E322 L325 | L220-R222 PolarHBondContact O-N 2.72Å; L220-G223 PolarHBondContact O-N 3.18Å; L220-L224 HydrophobicContact CD1-CD1 4.34Å; L220-L224 HydrophobicContact CD1-CG 4.35Å; L220-L224 HydrophobicContact CG-CD1 4.29Å; L220-L224 WeakPolarHBondContact O-CG 3.28Å; L220-L224 PolarHBondContact O-N 3.49Å; L220-A321 HydrophobicContact CB-CB 4.09Å; L220-A321 HydrophobicContact CD2-CB 4.11Å; L220-E322 VanDerWaalsContact CD1-CD 3.49Å; L220-E322 WeakPolarHBondContact CD1-OE1 3.43Å; L220-E322 WeakPolarHBondContact CD1-OE2 3.34Å; L220-L325 HydrophobicContact CD1-CD2 4.05Å; L220-L325 HydrophobicContact CD2-CB 4.37Å; L220-L325 HydrophobicContact CD2-CD2 4.27Å |
| 221 | K | 87.8 | Confident | 84.9 | Confident | 178 Ų | 178 | 62.1 Ų | 62.1 | 77% | 0.774 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.1 | -32.5 | -179.1 | -65.1 | -178.9 | -178 | 177.8 | 0 | 112.6 | D219 K225 | D219-K221 PolarHBondContact O-N 3.11Å; K221-K225 WeakPolarHBondContact O-CG 3.44Å |
| 222 | R | 85.7 | Confident | 83.8 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 25% | 0.245 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -77.5 | -43.6 | 178.1 | -176 | 178.2 | -179.8 | 129.2 | 9.6 | 110 | S218 D219 L220 L224 K225 I226 P240 T241 D264 | S218-R222 WeakPolarHBondContact OG-CD 3.48Å; D219-R222 WeakPolarHBondContact O-CA 3.5Å; D219-R222 WeakPolarHBondContact O-CB 3.49Å; D219-R222 PolarHBondContact O-N 3.43Å; L220-R222 PolarHBondContact O-N 2.72Å; R222-L224 PolarHBondContact O-N 3.27Å; R222-K225 PolarHBondContact O-N 3.34Å; R222-I226 HydrophobicContact CG-CD1 3.98Å; R222-I226 VanDerWaalsContact O-CG1 3.32Å; R222-I226 WeakPolarHBondContact O-CG1 3.45Å; R222-I226 PolarHBondContact O-N 3.21Å; R222-P240 HydrophobicContact CG-CB 4.48Å; R222-P240 HydrophobicContact CG-CG 4.17Å; R222-T241 PolarHBondContact NH2-O 3.15Å; R222-D264 IonicContact CZ-OD2 2.8Å; R222-D264 IonicContact NE-OD2 3.68Å; R222-D264 PolarHBondContact NE-OD2 3.14Å; R222-D264 IonicContact NH2-OD2 2.69Å; R222-D264 PolarHBondContact NH2-OD2 3.36Å |
| 223 | G | 84.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.7 | -48.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D219 L220 K225 I226 Q227 E268 | D219-G223 PolarHBondContact O-N 3.23Å; L220-G223 PolarHBondContact O-N 3.18Å; G223-K225 VanDerWaalsContact C-N 3.34Å; G223-K225 PolarHBondContact O-N 2.96Å; G223-I226 WeakPolarHBondContact O-CA 3.21Å; G223-I226 WeakPolarHBondContact O-CB 3.29Å; G223-I226 PolarHBondContact O-N 2.89Å; G223-Q227 WeakPolarHBondContact O-CG 3.47Å; G223-Q227 PolarHBondContact O-N 3.43Å; G223-E268 VanDerWaalsContact CA-OE2 3.25Å; G223-E268 WeakPolarHBondContact CA-OE2 3.3Å |
| 224 | L | 85.4 | Confident | 80.3 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 34% | 0.335 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 177 | -68.5 | 172.4 | 0 | 0 | 0 | 112.7 | L220 R222 I226 Q227 E228 | L220-L224 HydrophobicContact CD1-CD1 4.34Å; L220-L224 HydrophobicContact CD1-CG 4.35Å; L220-L224 HydrophobicContact CG-CD1 4.29Å; L220-L224 WeakPolarHBondContact O-CG 3.28Å; L220-L224 PolarHBondContact O-N 3.49Å; R222-L224 PolarHBondContact O-N 3.27Å; L224-I226 VanDerWaalsContact C-N 3.31Å; L224-I226 PolarHBondContact O-N 3.29Å; L224-Q227 PolarHBondContact O-N 2.86Å; L224-E228 WeakPolarHBondContact O-CG 3.39Å; L224-E228 PolarHBondContact O-N 3.39Å |
| 225 | K | 85.3 | Confident | 78.8 | Confident | 112 Ų | 112 | 71.7 Ų | 71.7 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -35.7 | 175.1 | -70.2 | -179 | 177 | -166.3 | 0 | 112.7 | K221 R222 G223 A229 P240 | K221-K225 WeakPolarHBondContact O-CG 3.44Å; R222-K225 PolarHBondContact O-N 3.34Å; G223-K225 VanDerWaalsContact C-N 3.34Å; G223-K225 PolarHBondContact O-N 2.96Å; K225-A229 VanDerWaalsContact O-CB 3.25Å; K225-A229 WeakPolarHBondContact O-CB 3.28Å; K225-A229 PolarHBondContact O-N 3.1Å; K225-P240 HydrophobicContact CB-CG 4.41Å |
| 226 | I | 82.2 | Confident | 77.3 | Confident | 19 Ų | 19 | 76.8 Ų | 76.8 | 10% | 0.097 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 176.2 | -67.8 | 163.1 | 0 | 0 | 0 | 109.8 | R222 G223 L224 A229 K230 P240 D264 E268 | R222-I226 HydrophobicContact CG-CD1 3.98Å; R222-I226 VanDerWaalsContact O-CG1 3.32Å; R222-I226 WeakPolarHBondContact O-CG1 3.45Å; R222-I226 PolarHBondContact O-N 3.21Å; G223-I226 WeakPolarHBondContact O-CA 3.21Å; G223-I226 WeakPolarHBondContact O-CB 3.29Å; G223-I226 PolarHBondContact O-N 2.89Å; L224-I226 VanDerWaalsContact C-N 3.31Å; L224-I226 PolarHBondContact O-N 3.29Å; I226-A229 CarbonylContact O-C 3.58Å; I226-A229 PolarHBondContact O-N 3.46Å; I226-K230 WeakPolarHBondContact O-CG 3.37Å; I226-K230 PolarHBondContact O-N 2.92Å; I226-P240 HydrophobicContact CG1-CG 4.02Å; I226-D264 HydrophobicContact CD1-CB 4.09Å; I226-E268 HydrophobicContact CG2-CG 4.26Å |
| 227 | Q | 81.8 | Confident | 75.8 | Confident | 30 Ų | 30 | 75.8 Ų | 75.8 | 14% | 0.14 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 176.2 | -67.6 | 176.9 | 3.5 | 0 | 0 | 110.9 | G223 L224 A229 K230 F231 E268 | G223-Q227 WeakPolarHBondContact O-CG 3.47Å; G223-Q227 PolarHBondContact O-N 3.43Å; L224-Q227 PolarHBondContact O-N 2.86Å; Q227-A229 VanDerWaalsContact C-N 3.26Å; Q227-A229 PolarHBondContact O-N 3.26Å; Q227-K230 WeakPolarHBondContact O-CB 3.36Å; Q227-K230 PolarHBondContact O-N 3.42Å; Q227-F231 VanDerWaalsContact O-CD2 3.24Å; Q227-F231 WeakPolarHBondContact O-CD2 3.4Å; Q227-F231 PolarHBondContact O-N 2.95Å; Q227-E268 HydrophobicContact CG-CG 4.11Å; Q227-E268 PolarHBondContact NE2-OE1 2.93Å |
| 228 | E | 81.5 | Confident | 74.4 | Confident | 114 Ų | 114 | 83.8 Ų | 83.8 | 53% | 0.533 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -55 | -42.9 | 174.5 | -72.9 | 171.6 | -178.4 | 0 | 0 | 111.6 | L224 K230 F231 N232 | L224-E228 WeakPolarHBondContact O-CG 3.39Å; L224-E228 PolarHBondContact O-N 3.39Å; E228-K230 VanDerWaalsContact C-N 3.33Å; E228-K230 PolarHBondContact O-N 3.33Å; E228-F231 PolarHBondContact O-N 3.27Å; E228-N232 VanDerWaalsContact O-CB 3.32Å; E228-N232 WeakPolarHBondContact O-CB 3.44Å; E228-N232 PolarHBondContact O-N 2.86Å; E228-N232 PolarHBondContact O-ND2 3.47Å |
| 229 | A | 78.6 | Confident | 73.3 | Confident | 13 Ų | 13 | 91.3 Ų | 91.3 | 11% | 0.107 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -72.5 | -19.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K225 I226 Q227 R239 | K225-A229 VanDerWaalsContact O-CB 3.25Å; K225-A229 WeakPolarHBondContact O-CB 3.28Å; K225-A229 PolarHBondContact O-N 3.1Å; I226-A229 CarbonylContact O-C 3.58Å; I226-A229 PolarHBondContact O-N 3.46Å; Q227-A229 VanDerWaalsContact C-N 3.26Å; Q227-A229 PolarHBondContact O-N 3.26Å; A229-R239 HydrophobicContact CB-CG 3.62Å |
| 230 | K | 75.6 | Confident | 72.3 | Confident | 74 Ų | 74 | 88.4 Ų | 88.4 | 32% | 0.322 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -75.9 | -40.5 | 172.2 | -76.8 | -173.2 | -176.6 | -175.4 | 0 | 111.3 | I226 Q227 E228 S265 E272 | I226-K230 WeakPolarHBondContact O-CG 3.37Å; I226-K230 PolarHBondContact O-N 2.92Å; Q227-K230 WeakPolarHBondContact O-CB 3.36Å; Q227-K230 PolarHBondContact O-N 3.42Å; E228-K230 VanDerWaalsContact C-N 3.33Å; E228-K230 PolarHBondContact O-N 3.33Å; K230-S265 WeakPolarHBondContact CE-OG 3.47Å; K230-E272 IonicContact NZ-OE2 2.71Å; K230-E272 PolarHBondContact NZ-OE2 2.88Å |
| 231 | F | 69.4 | Low | 71.5 | Confident | 145 Ų | 145 | 92.4 Ų | 92.4 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -89 | -14.5 | -175.3 | -68.8 | -73.8 | 0 | 0 | 0 | 114.4 | Q227 E228 L233 | Q227-F231 VanDerWaalsContact O-CD2 3.24Å; Q227-F231 WeakPolarHBondContact O-CD2 3.4Å; Q227-F231 PolarHBondContact O-N 2.95Å; E228-F231 PolarHBondContact O-N 3.27Å; F231-L233 PolarHBondContact O-N 3.19Å; F231-L233 VanDerWaalsContact O-N 3.17Å |
| 232 | N | 68.3 | Low | 70.8 | Confident | 74 Ų | 74 | 87.9 Ų | 87.9 | 40% | 0.396 | 46% | 0.457 | S | S | . | . | trans | -78.2 | 100.1 | 178.1 | -80.1 | -34.4 | 0 | 0 | 0 | 112.5 | E228 E234 A237 | E228-N232 VanDerWaalsContact O-CB 3.32Å; E228-N232 WeakPolarHBondContact O-CB 3.44Å; E228-N232 PolarHBondContact O-N 2.86Å; E228-N232 PolarHBondContact O-ND2 3.47Å; N232-E234 VanDerWaalsContact C-N 3.28Å; N232-E234 PolarHBondContact O-N 2.65Å; N232-A237 HydrophobicContact CB-CB 4.42Å; N232-A237 WeakPolarHBondContact ND2-CB 3.49Å | ||
| 233 | L | 54.1 | Low | 70.4 | Confident | 180 Ų | 180 | 85.4 Ų | 85.4 | 94% | 0.942 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -19.3 | 169.3 | -84.8 | 126.3 | 0 | 0 | 0 | 113.6 | F231 | F231-L233 PolarHBondContact O-N 3.19Å; F231-L233 VanDerWaalsContact O-N 3.17Å |
| 234 | E | 49.3 | Very low | 70.4 | Confident | 171 Ų | 171 | 90.3 Ų | 90.3 | 80% | 0.799 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 3.9 | -171.4 | -65 | -171.8 | 160 | 0 | 0 | 114.7 | N232 T236 | N232-E234 VanDerWaalsContact C-N 3.28Å; N232-E234 PolarHBondContact O-N 2.65Å; E234-T236 VanDerWaalsContact C-N 3.28Å; E234-T236 PolarHBondContact O-N 2.96Å |
| 235 | G | 53.7 | Low | 70.4 | Confident | 70 Ų | 70 | 92 Ų | 92 | 72% | 0.722 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 70 | 13.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 236 | T | 54.3 | Low | 70.4 | Confident | 111 Ų | 111 | 89 Ų | 89 | 68% | 0.681 | 48% | 0.482 | S | S | * | . | trans | -88.3 | -14.9 | -176.3 | 46 | 0 | 0 | 0 | 0 | 114.7 | E234 | E234-T236 VanDerWaalsContact C-N 3.28Å; E234-T236 PolarHBondContact O-N 2.96Å | ||
| 237 | A | 57.5 | Low | 70.6 | Confident | 31 Ų | 31 | 92.5 Ų | 92.5 | 26% | 0.256 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -93.6 | 116.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N232 R239 | N232-A237 HydrophobicContact CB-CB 4.42Å; N232-A237 WeakPolarHBondContact ND2-CB 3.49Å; A237-R239 PolarHBondContact O-N 2.88Å |
| 238 | E | 59.8 | Low | 70.8 | Confident | 179 Ų | 179 | 92.2 Ų | 92.2 | 84% | 0.836 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 117.6 | 172.5 | -67.6 | -177.7 | 169.6 | 0 | 0 | 110 | ||
| 239 | R | 65 | Low | 70.9 | Confident | 163 Ų | 163 | 90.6 Ų | 90.6 | 62% | 0.615 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 135.2 | 167.2 | -78.7 | -175.6 | -179.7 | -175.8 | 0.2 | 108.6 | A229 A237 | A229-R239 HydrophobicContact CB-CG 3.62Å; A237-R239 PolarHBondContact O-N 2.88Å |
| 240 | P | 69.1 | Low | 71 | Confident | 31 Ų | 31 | 90.6 Ų | 90.6 | 20% | 0.201 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 151.2 | 173.2 | 25.5 | -32 | 0 | 0 | 0 | 109.7 | R222 K225 I226 P242 | R222-P240 HydrophobicContact CG-CB 4.48Å; R222-P240 HydrophobicContact CG-CG 4.17Å; K225-P240 HydrophobicContact CB-CG 4.41Å; I226-P240 HydrophobicContact CG1-CG 4.02Å; P240-P242 VanDerWaalsContact O-N 3.13Å |
| 241 | T | 73 | Confident | 70.9 | Confident | 117 Ų | 117 | 94.4 Ų | 94.4 | 72% | 0.718 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 121.8 | 178.8 | 49.5 | 0 | 0 | 0 | 0 | 109.9 | R222 | R222-T241 PolarHBondContact NH2-O 3.15Š|
| 242 | P | 73 | Confident | 70.8 | Confident | 82 Ų | 82 | 91 Ų | 91 | 53% | 0.532 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -62 | 149.3 | -176.9 | 25.8 | -33.2 | 0 | 0 | 0 | 109.7 | P240 | P240-P242 VanDerWaalsContact O-N 3.13Š|
| 243 | P | 77.8 | Confident | 71.1 | Confident | 14 Ų | 14 | 94.3 Ų | 94.3 | 9% | 0.091 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 166 | 171.4 | 33.3 | -31.8 | 0 | 0 | 0 | 109.4 | F216 D245 G260 D264 | F216-P243 HydrophobicContact CE1-CB 3.92Å; F216-P243 HydrophobicContact CE1-CG 3.99Å; F216-P243 HydrophobicContact CZ-CB 3.72Å; F216-P243 HydrophobicContact CZ-CG 3.84Å; P243-D245 PolarHBondContact O-N 3.49Å; P243-G260 WeakPolarHBondContact CD-O 3.35Å; P243-G260 WeakPolarHBondContact CG-O 3.27Å; P243-G260 WeakPolarHBondContact O-CA 3.47Å; P243-D264 WeakPolarHBondContact CD-OD2 3.42Å |
| 244 | P | 83.8 | Confident | 72.3 | Confident | 102 Ų | 102 | 88.8 Ų | 88.8 | 66% | 0.662 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 140 | 179.5 | 24.7 | -34.6 | 0 | 0 | 0 | 111.2 | R263 | P244-R263 PolarHBondContact O-NH1 2.81Š|
| 245 | D | 85.4 | Confident | 74 | Confident | 100 Ų | 100 | 84.3 Ų | 84.3 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 148 | 169.9 | -59.8 | -27.7 | 0 | 0 | 0 | 109.3 | P243 I258 K259 G260 | P243-D245 PolarHBondContact O-N 3.49Å; D245-I258 WeakPolarHBondContact CA-O 3.33Å; D245-K259 VanDerWaalsContact OD1-CA 3.28Å; D245-K259 WeakPolarHBondContact OD1-CA 3.43Å; D245-G260 PolarHBondContact OD1-N 3.35Å |
| 246 | V | 85.6 | Confident | 75.4 | Confident | 48 Ų | 48 | 81 Ų | 81 | 29% | 0.291 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 132.1 | -178.5 | 174.1 | 0 | 0 | 0 | 0 | 109.4 | T214 I258 | T214-V246 HydrophobicContact CG2-CG1 4.1Å; V246-I258 PolarHBondContact N-O 3.19Å; V246-I258 WeakPolarHBondContact O-CA 3.37Å; V246-I258 WeakPolarHBondContact O-CB 3.48Å; V246-I258 PolarHBondContact O-N 2.98Å |
| 247 | D | 86.1 | Confident | 76.8 | Confident | 94 Ų | 94 | 77.9 Ų | 77.9 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.7 | 178 | -55.9 | -16.9 | 0 | 0 | 0 | 108.8 | I255 L256 H257 | D247-I255 HydrophobicContact CB-CG2 3.84Å; D247-L256 CarbonylContact C-O 3.53Å; D247-L256 WeakPolarHBondContact CA-O 3.4Å; D247-H257 VanDerWaalsContact CG-CE1 3.43Å; D247-H257 IonicContact OD1-CE1 3.74Å; D247-H257 PolarHBondContact OD1-CE1 3.42Å; D247-H257 IonicContact OD1-CG 3.48Å; D247-H257 IonicContact OD1-ND1 2.85Å; D247-H257 PolarHBondContact OD1-ND1 3.38Å; D247-H257 IonicContact OD2-CE1 3.25Å; D247-H257 IonicContact OD2-ND1 3.51Å |
| 248 | Y | 85.3 | Confident | 78.1 | Confident | 24 Ų | 24 | 76.5 Ų | 76.5 | 9% | 0.094 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.9 | 179.4 | -179.7 | -88.6 | 0 | 0 | 0 | 109.9 | V206 D209 I210 L250 L256 I258 | V206-Y248 HydrophobicContact CG1-CE1 3.68Å; D209-Y248 WeakPolarHBondContact OD2-CE2 3.27Å; D209-Y248 PolarHBondContact OD2-OH 2.88Å; I210-Y248 HydrophobicContact CD1-CD1 4.15Å; I210-Y248 HydrophobicContact CD1-CE1 4.29Å; I210-Y248 HydrophobicContact CD1-CG 4.37Å; I210-Y248 HydrophobicContact CG1-CD1 4.04Å; I210-Y248 HydrophobicContact CG1-CD2 3.78Å; I210-Y248 HydrophobicContact CG1-CE1 4.1Å; I210-Y248 HydrophobicContact CG1-CE2 3.83Å; I210-Y248 HydrophobicContact CG1-CG 3.88Å; Y248-L250 HydrophobicContact CE1-CD1 4.45Å; Y248-L250 PolarHBondContact O-N 2.5Å; Y248-L256 HydrophobicContact CD1-CD1 4.17Å; Y248-L256 PolarHBondContact N-O 3.23Å; Y248-L256 PolarHBondContact O-N 3.34Å; Y248-I258 HydrophobicContact CG-CD1 4.48Å |
| 249 | P | 85.1 | Confident | 79.3 | Confident | 80 Ų | 80 | 71.9 Ų | 71.9 | 52% | 0.519 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 123 | 177.4 | 30.2 | -33 | 0 | 0 | 0 | 110.6 | ||
| 250 | L | 79.3 | Confident | 80.1 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.2 | 174.4 | -173.4 | 76.9 | 0 | 0 | 0 | 109 | I199 V206 Y248 G252 E253 K254 L256 | I199-L250 HydrophobicContact CD1-CD2 3.4Å; V206-L250 HydrophobicContact CG1-CD1 3.87Å; V206-L250 HydrophobicContact CG2-CD1 4.21Å; Y248-L250 HydrophobicContact CE1-CD1 4.45Å; Y248-L250 PolarHBondContact O-N 2.5Å; L250-G252 PolarHBondContact O-N 3.11Å; L250-E253 PolarHBondContact O-N 2.69Å; L250-K254 WeakPolarHBondContact CA-O 2.9Å; L250-K254 HydrophobicContact CB-CB 4.12Å; L250-K254 HydrophobicContact CD2-CB 4.36Å; L250-K254 HydrophobicContact CD2-CD 4.29Å; L250-K254 PolarHBondContact N-O 3.34Å; L250-K254 PolarHBondContact O-N 2.66Å; L250-K254 VanDerWaalsContact O-N 3.15Å; L250-K254 VanDerWaalsContact O-O 3.11Å; L250-L256 HydrophobicContact CB-CD1 4.36Å; L250-L256 HydrophobicContact CB-CG 4.26Å; L250-L256 HydrophobicContact CD1-CD1 4.46Å; L250-L256 HydrophobicContact CD2-CD1 4.47Å |
| 251 | D | 73.4 | Confident | 80.9 | Confident | 154 Ų | 154 | 65 Ų | 65 | 82% | 0.824 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 14 | 177.1 | -59 | -26.1 | 0 | 0 | 0 | 116.6 | E253 | D251-E253 VanDerWaalsContact C-N 3.34Å; D251-E253 PolarHBondContact O-N 2.8Å |
| 252 | G | 67.9 | Low | 81.4 | Confident | 73 Ų | 73 | 59.5 Ų | 59.5 | 75% | 0.753 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | -16.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L250 | L250-G252 PolarHBondContact O-N 3.11Š|
| 253 | E | 74.8 | Confident | 81.9 | Confident | 144 Ų | 144 | 56.9 Ų | 56.9 | 67% | 0.673 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -20.2 | -177.9 | -64.5 | -177.9 | 171.3 | 0 | 0 | 113.7 | L250 D251 | L250-E253 PolarHBondContact O-N 2.69Å; D251-E253 VanDerWaalsContact C-N 3.34Å; D251-E253 PolarHBondContact O-N 2.8Å |
| 254 | K | 80.1 | Confident | 82.2 | Confident | 65 Ų | 65 | 56.6 Ų | 56.6 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.3 | -177.2 | -63.8 | 176 | -172.7 | 174.1 | 0 | 109.5 | V185 D186 L250 | V185-K254 HydrophobicContact CG1-CB 4.25Å; D186-K254 WeakPolarHBondContact O-CA 3.48Å; L250-K254 WeakPolarHBondContact CA-O 2.9Å; L250-K254 HydrophobicContact CB-CB 4.12Å; L250-K254 HydrophobicContact CD2-CB 4.36Å; L250-K254 HydrophobicContact CD2-CD 4.29Å; L250-K254 PolarHBondContact N-O 3.34Å; L250-K254 PolarHBondContact O-N 2.66Å; L250-K254 VanDerWaalsContact O-N 3.15Å; L250-K254 VanDerWaalsContact O-O 3.11Å |
| 255 | I | 83.8 | Confident | 82.2 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.9 | 174.9 | -60.1 | 175.5 | 0 | 0 | 0 | 108.6 | D186 D247 | D186-I255 PolarHBondContact N-O 2.8Å; D186-I255 PolarHBondContact O-N 2.89Å; D247-I255 HydrophobicContact CB-CG2 3.84Å |
| 256 | L | 82.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 116.2 | 175.4 | -61.6 | -178 | 0 | 0 | 0 | 109.3 | V185 L195 I210 D247 Y248 L250 I258 | V185-L256 HydrophobicContact CB-CD2 4.29Å; V185-L256 HydrophobicContact CG1-CD2 4.12Å; V185-L256 HydrophobicContact CG2-CD2 3.65Å; L195-L256 HydrophobicContact CD2-CD2 3.77Å; I210-L256 HydrophobicContact CD1-CD1 4.49Å; D247-L256 CarbonylContact C-O 3.53Å; D247-L256 WeakPolarHBondContact CA-O 3.4Å; Y248-L256 HydrophobicContact CD1-CD1 4.17Å; Y248-L256 PolarHBondContact N-O 3.23Å; Y248-L256 PolarHBondContact O-N 3.34Å; L250-L256 HydrophobicContact CB-CD1 4.36Å; L250-L256 HydrophobicContact CB-CG 4.26Å; L250-L256 HydrophobicContact CD1-CD1 4.46Å; L250-L256 HydrophobicContact CD2-CD1 4.47Å; L256-I258 PolarHBondContact O-N 3.31Å |
| 257 | H | 84.7 | Confident | 82.5 | Confident | 46 Ų | 46 | 45.8 Ų | 45.8 | 21% | 0.213 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 100.4 | 174.9 | -68 | -74.7 | 0 | 0 | 0 | 109.9 | C183 T184 D186 D247 | C183-H257 PolarHBondContact SG-O 3.43Å; C183-H257 VanDerWaalsContact SG-O 3.4Å; T184-H257 PolarHBondContact O-N 3.02Å; D186-H257 IonicContact OD2-CD2 3.99Å; D186-H257 IonicContact OD2-NE2 3.43Å; D186-H257 PolarHBondContact OD2-NE2 3.18Å; D247-H257 VanDerWaalsContact CG-CE1 3.43Å; D247-H257 IonicContact OD1-CE1 3.74Å; D247-H257 PolarHBondContact OD1-CE1 3.42Å; D247-H257 IonicContact OD1-CG 3.48Å; D247-H257 IonicContact OD1-ND1 2.85Å; D247-H257 PolarHBondContact OD1-ND1 3.38Å; D247-H257 IonicContact OD2-CE1 3.25Å; D247-H257 IonicContact OD2-ND1 3.51Å |
| 258 | I | 84.3 | Confident | 82.6 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 113.1 | -178.3 | -55.3 | 174.4 | 0 | 0 | 0 | 108.9 | L179 I210 T214 D245 V246 Y248 L256 R263 | L179-I258 HydrophobicContact CD2-CG1 4.26Å; I210-I258 HydrophobicContact CB-CD1 4.47Å; I210-I258 HydrophobicContact CD1-CD1 4.17Å; I210-I258 HydrophobicContact CG1-CD1 4.09Å; I210-I258 HydrophobicContact CG2-CD1 3.58Å; T214-I258 HydrophobicContact CG2-CD1 4.26Å; D245-I258 WeakPolarHBondContact CA-O 3.33Å; V246-I258 PolarHBondContact N-O 3.19Å; V246-I258 WeakPolarHBondContact O-CA 3.37Å; V246-I258 WeakPolarHBondContact O-CB 3.48Å; V246-I258 PolarHBondContact O-N 2.98Å; Y248-I258 HydrophobicContact CG-CD1 4.48Å; L256-I258 PolarHBondContact O-N 3.31Å; I258-R263 HydrophobicContact CG2-CG 4.04Å |
| 259 | K | 84.6 | Confident | 82.7 | Confident | 83 Ų | 83 | 41.8 Ų | 41.8 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | trans | -65.7 | 141.2 | 177.2 | -68.7 | 177.1 | -179.2 | 156.1 | 0 | 111.6 | Q182 D245 T261 I262 | Q182-K259 WeakPolarHBondContact O-CE 3.48Å; Q182-K259 PolarHBondContact O-NZ 3.01Å; D245-K259 VanDerWaalsContact OD1-CA 3.28Å; D245-K259 WeakPolarHBondContact OD1-CA 3.43Å; K259-T261 PolarHBondContact O-N 3.19Å; K259-I262 HydrophobicContact CB-CD1 4.21Å; K259-I262 HydrophobicContact CB-CG1 4.29Å; K259-I262 WeakPolarHBondContact O-CB 3.49Å; K259-I262 PolarHBondContact O-N 2.98Å; K259-I262 VanDerWaalsContact O-N 3.09Å | ||
| 260 | G | 83.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.1 | -34.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P243 D245 I262 R263 D264 | P243-G260 WeakPolarHBondContact CD-O 3.35Å; P243-G260 WeakPolarHBondContact CG-O 3.27Å; P243-G260 WeakPolarHBondContact O-CA 3.47Å; D245-G260 PolarHBondContact OD1-N 3.35Å; G260-I262 VanDerWaalsContact C-N 3.27Å; G260-I262 PolarHBondContact O-N 2.81Å; G260-R263 PolarHBondContact O-N 2.92Å; G260-D264 PolarHBondContact O-N 2.71Å |
| 261 | T | 84.3 | Confident | 83.3 | Confident | 48 Ų | 48 | 37.4 Ų | 37.4 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.3 | -35.2 | 178.1 | -47.5 | 0 | 0 | 0 | 0 | 112.9 | K259 S265 | K259-T261 PolarHBondContact O-N 3.19Å; T261-S265 VanDerWaalsContact O-CB 3.28Å; T261-S265 WeakPolarHBondContact O-CB 3.36Å; T261-S265 PolarHBondContact O-N 2.98Å |
| 262 | I | 85.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.6 | -47.2 | 179.4 | -60.6 | 171.1 | 0 | 0 | 0 | 109.3 | L178 L179 Q182 K259 G260 D264 S265 V266 | L178-I262 HydrophobicContact CB-CG1 4.48Å; L178-I262 HydrophobicContact CB-CG2 3.85Å; L178-I262 HydrophobicContact CD1-CG2 4.31Å; L179-I262 HydrophobicContact CD2-CD1 4.45Å; Q182-I262 HydrophobicContact CB-CD1 3.94Å; Q182-I262 HydrophobicContact CB-CG1 4.35Å; K259-I262 HydrophobicContact CB-CD1 4.21Å; K259-I262 HydrophobicContact CB-CG1 4.29Å; K259-I262 WeakPolarHBondContact O-CB 3.49Å; K259-I262 PolarHBondContact O-N 2.98Å; K259-I262 VanDerWaalsContact O-N 3.09Å; G260-I262 VanDerWaalsContact C-N 3.27Å; G260-I262 PolarHBondContact O-N 2.81Å; I262-D264 VanDerWaalsContact C-N 3.26Å; I262-D264 PolarHBondContact O-N 3.49Å; I262-S265 PolarHBondContact O-N 3.43Å; I262-S265 VanDerWaalsContact O-N 3.17Å; I262-V266 HydrophobicContact CG2-CG2 3.93Å; I262-V266 WeakPolarHBondContact O-CG2 3.26Å; I262-V266 PolarHBondContact O-N 3.35Å |
| 263 | R | 83.6 | Confident | 84.3 | Confident | 27 Ų | 27 | 31 Ų | 31 | 10% | 0.102 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.8 | -38.4 | -177.1 | -61.4 | 166.8 | 58.9 | -164 | 4.7 | 112.1 | T214 P244 I258 G260 | T214-R263 PolarHBondContact O-NE 2.98Å; T214-R263 PolarHBondContact O-NH2 3.37Å; P244-R263 PolarHBondContact O-NH1 2.81Å; I258-R263 HydrophobicContact CG2-CG 4.04Å; G260-R263 PolarHBondContact O-N 2.92Å |
| 264 | D | 82.4 | Confident | 84.3 | Confident | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -73.6 | -47.2 | 175.4 | -78.4 | 4.4 | 0 | 0 | 0 | 112.2 | F216 R222 I226 P243 G260 I262 V266 M267 E268 | F216-D264 WeakPolarHBondContact CE2-OD1 3.25Å; F216-D264 WeakPolarHBondContact CZ-OD1 3.45Å; R222-D264 IonicContact CZ-OD2 2.8Å; R222-D264 IonicContact NE-OD2 3.68Å; R222-D264 PolarHBondContact NE-OD2 3.14Å; R222-D264 IonicContact NH2-OD2 2.69Å; R222-D264 PolarHBondContact NH2-OD2 3.36Å; I226-D264 HydrophobicContact CD1-CB 4.09Å; P243-D264 WeakPolarHBondContact CD-OD2 3.42Å; G260-D264 PolarHBondContact O-N 2.71Å; I262-D264 VanDerWaalsContact C-N 3.26Å; I262-D264 PolarHBondContact O-N 3.49Å; D264-V266 PolarHBondContact O-N 3.29Å; D264-M267 PolarHBondContact O-N 3.47Å; D264-E268 PolarHBondContact O-N 2.88Å |
| 265 | S | 84.8 | Confident | 84.1 | Confident | 22 Ų | 22 | 33.9 Ų | 33.9 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66 | -38.3 | -173.2 | -172.2 | 0 | 0 | 0 | 0 | 112.7 | K230 T261 I262 M267 E268 | K230-S265 WeakPolarHBondContact CE-OG 3.47Å; T261-S265 VanDerWaalsContact O-CB 3.28Å; T261-S265 WeakPolarHBondContact O-CB 3.36Å; T261-S265 PolarHBondContact O-N 2.98Å; I262-S265 PolarHBondContact O-N 3.43Å; I262-S265 VanDerWaalsContact O-N 3.17Å; S265-M267 VanDerWaalsContact C-N 3.34Å; S265-M267 PolarHBondContact O-N 3.03Å; S265-E268 PolarHBondContact O-N 3.01Å |
| 266 | V | 88.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | -178.6 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | I171 E174 L175 L178 I262 D264 E268 | I171-V266 HydrophobicContact CG2-CG1 3.77Å; E174-V266 HydrophobicContact CG-CG2 4.43Å; L175-V266 HydrophobicContact CB-CG1 4.3Å; L175-V266 HydrophobicContact CB-CG2 4.31Å; L175-V266 HydrophobicContact CD1-CG1 4.27Å; L175-V266 HydrophobicContact CD1-CG2 4.17Å; L178-V266 HydrophobicContact CD1-CG2 3.54Å; I262-V266 HydrophobicContact CG2-CG2 3.93Å; I262-V266 WeakPolarHBondContact O-CG2 3.26Å; I262-V266 PolarHBondContact O-N 3.35Å; D264-V266 PolarHBondContact O-N 3.29Å; V266-E268 VanDerWaalsContact C-N 3.32Å |
| 267 | M | 87.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -75.8 | -24 | -178.4 | -64.4 | -61.4 | 120.9 | 0 | 0 | 112.4 | I171 C215 F216 D264 S265 M269 L270 L312 | I171-M267 HydrophobicContact CD1-CE 4.39Å; I171-M267 HydrophobicContact CG2-CE 3.56Å; C215-M267 HydrophobicContact CB-CE 3.53Å; C215-M267 HydrophobicContact CB-CG 4.15Å; C215-M267 HydrophobicContact CB-SD 4.12Å; F216-M267 WeakPolarHBondContact O-CG 3.5Å; D264-M267 PolarHBondContact O-N 3.47Å; S265-M267 VanDerWaalsContact C-N 3.34Å; S265-M267 PolarHBondContact O-N 3.03Å; M267-M269 VanDerWaalsContact C-N 3.26Å; M267-M269 PolarHBondContact O-N 2.92Å; M267-L270 PolarHBondContact O-N 2.82Å; M267-L312 HydrophobicContact CE-CD1 4.43Å; M267-L312 HydrophobicContact SD-CD1 3.48Å; M267-L312 WeakPolarHBondContact SD-CD1 3.45Å; M267-L312 HydrophobicContact SD-CD2 4.4Å |
| 268 | E | 88.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67 | -28.6 | 178.4 | -165.9 | 55.9 | -148.9 | 0 | 0 | 112.2 | G223 I226 Q227 D264 S265 V266 L270 F271 E272 R318 | G223-E268 VanDerWaalsContact CA-OE2 3.25Å; G223-E268 WeakPolarHBondContact CA-OE2 3.3Å; I226-E268 HydrophobicContact CG2-CG 4.26Å; Q227-E268 HydrophobicContact CG-CG 4.11Å; Q227-E268 PolarHBondContact NE2-OE1 2.93Å; D264-E268 PolarHBondContact O-N 2.88Å; S265-E268 PolarHBondContact O-N 3.01Å; V266-E268 VanDerWaalsContact C-N 3.32Å; E268-L270 PolarHBondContact O-N 2.88Å; E268-L270 VanDerWaalsContact O-N 3.09Å; E268-F271 CarbonylContact O-C 3.56Å; E268-F271 PolarHBondContact O-N 3.19Å; E268-E272 WeakPolarHBondContact O-CB 3.38Å; E268-E272 PolarHBondContact O-N 3.33Å; E268-R318 IonicContact OE1-CZ 3.34Å; E268-R318 IonicContact OE1-NH1 3.68Å; E268-R318 IonicContact OE1-NH2 3.9Å; E268-R318 PolarHBondContact OE1-NH2 3.35Å; E268-R318 IonicContact OE2-CZ 3.73Å; E268-R318 IonicContact OE2-NH1 3.97Å; E268-R318 PolarHBondContact OE2-NH1 3.41Å; E268-R318 IonicContact OE2-NH2 3.56Å; E268-R318 PolarHBondContact OE2-NH2 3.09Å |
| 269 | M | 87.1 | Confident | 83.8 | Confident | 32 Ų | 32 | 43 Ų | 43 | 16% | 0.158 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.4 | 176.6 | 179.4 | -90.3 | -72.8 | 0 | 0 | 113.4 | L166 A170 I171 E174 M267 F271 | L166-M269 HydrophobicContact CD2-SD 3.56Å; L166-M269 VanDerWaalsContact CD2-SD 3.56Å; A170-M269 VanDerWaalsContact C-CE 3.42Å; A170-M269 HydrophobicContact CB-CE 3.7Å; A170-M269 HydrophobicContact CB-SD 4.34Å; A170-M269 WeakPolarHBondContact O-CE 3.13Å; I171-M269 HydrophobicContact CG1-CE 4.34Å; E174-M269 HydrophobicContact CB-CE 4.17Å; M267-M269 VanDerWaalsContact C-N 3.26Å; M267-M269 PolarHBondContact O-N 2.92Å; M269-F271 VanDerWaalsContact C-N 3.31Å; M269-F271 PolarHBondContact O-N 3.34Å |
| 270 | L | 88.2 | Confident | 84.2 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -25.3 | 176 | -64.7 | 174.9 | 0 | 0 | 0 | 113.7 | L166 I171 M267 E268 V280 T309 F315 | L166-L270 HydrophobicContact CB-CD2 4.4Å; I171-L270 HydrophobicContact CD1-CD1 3.93Å; I171-L270 HydrophobicContact CD1-CD2 4.18Å; I171-L270 HydrophobicContact CD1-CG 4.36Å; I171-L270 HydrophobicContact CG1-CD2 4.21Å; I171-L270 HydrophobicContact CG1-CG 4.45Å; M267-L270 PolarHBondContact O-N 2.82Å; E268-L270 PolarHBondContact O-N 2.88Å; E268-L270 VanDerWaalsContact O-N 3.09Å; L270-V280 HydrophobicContact CB-CG2 4.41Å; L270-V280 WeakPolarHBondContact O-CG2 3.38Å; L270-V280 PolarHBondContact O-N 2.9Å; L270-T309 HydrophobicContact CD1-CG2 3.99Å; L270-F315 HydrophobicContact CD1-CE2 4.21Å |
| 271 | F | 88.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -10.2 | -173.6 | -62.3 | -78.6 | 0 | 0 | 0 | 112.9 | V217 E268 M269 Q273 F315 R318 L319 E322 | V217-F271 HydrophobicContact CG1-CE2 3.76Å; V217-F271 HydrophobicContact CG1-CZ 4.41Å; E268-F271 CarbonylContact O-C 3.56Å; E268-F271 PolarHBondContact O-N 3.19Å; M269-F271 VanDerWaalsContact C-N 3.31Å; M269-F271 PolarHBondContact O-N 3.34Å; F271-Q273 PolarHBondContact O-N 3.42Å; F271-F315 HydrophobicContact CE2-CD2 4.26Å; F271-F315 HydrophobicContact CE2-CE2 4.2Å; F271-F315 AromaticContact CZ-CD2 3.92Å; F271-F315 HydrophobicContact CZ-CD2 3.92Å; F271-F315 AromaticContact CZ-CE2 3.71Å; F271-F315 HydrophobicContact CZ-CE2 3.71Å; F271-F315 HydrophobicContact CZ-CZ 4.42Å; F271-R318 HydrophobicContact CD1-CG 4.11Å; F271-R318 HydrophobicContact CD2-CG 3.94Å; F271-R318 HydrophobicContact CE1-CG 3.89Å; F271-R318 HydrophobicContact CE2-CB 4.48Å; F271-R318 HydrophobicContact CE2-CG 3.7Å; F271-R318 HydrophobicContact CG-CG 4.13Å; F271-R318 HydrophobicContact CZ-CB 4.23Å; F271-R318 HydrophobicContact CZ-CG 3.67Å; F271-L319 HydrophobicContact CE1-CB 4.17Å; F271-L319 HydrophobicContact CE1-CD1 3.96Å; F271-E322 HydrophobicContact CD1-CB 4.49Å; F271-E322 HydrophobicContact CD1-CG 4.3Å |
| 272 | E | 84.9 | Confident | 84.9 | Confident | 34 Ų | 34 | 37 Ų | 37 | 16% | 0.159 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -60.4 | 130.1 | 169.4 | -169.7 | 159 | -164.8 | 0 | 0 | 109.1 | K230 E268 | K230-E272 IonicContact NZ-OE2 2.71Å; K230-E272 PolarHBondContact NZ-OE2 2.88Å; E268-E272 WeakPolarHBondContact O-CB 3.38Å; E268-E272 PolarHBondContact O-N 3.33Å |
| 273 | Q | 78.1 | Confident | 85.3 | Confident | 57 Ų | 57 | 37.2 Ų | 37.2 | 27% | 0.266 | 18% | 0.184 | S | C | . | . | trans | -84 | 116.1 | 175.3 | -79.8 | 164.8 | 49.9 | 0 | 0 | 107.5 | F271 | F271-Q273 PolarHBondContact O-N 3.42Š| ||
| 274 | D | 74.4 | Confident | 85.7 | Confident | 94 Ų | 94 | 35.9 Ų | 35.9 | 50% | 0.503 | 18% | 0.179 | S | C | . | . | trans | -62 | 174.5 | 172.9 | -75.4 | -23.9 | 0 | 0 | 0 | 111.1 | E276 E277 K278 | D274-E276 PolarHBondContact O-N 3.09Å; D274-E277 WeakPolarHBondContact O-CA 3.37Å; D274-E277 PolarHBondContact O-N 2.88Å; D274-K278 PolarHBondContact N-O 3.09Å | ||
| 275 | N | 75.9 | Confident | 86.2 | Confident | 177 Ų | 177 | 35.5 Ų | 35.5 | 95% | 0.947 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -19.2 | 171.9 | -67.8 | -20 | 0 | 0 | 0 | 113.5 | ||
| 276 | E | 75.4 | Confident | 86.5 | Confident | 134 Ų | 134 | 35.8 Ų | 35.8 | 63% | 0.626 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 7.5 | 174.4 | -59.7 | -170.1 | 175.4 | 0 | 0 | 113.7 | D274 K278 | D274-E276 PolarHBondContact O-N 3.09Å; E276-K278 HydrophobicContact CB-CD 4.11Å; E276-K278 HydrophobicContact CB-CG 4.16Å; E276-K278 PolarHBondContact O-N 2.89Å; E276-K278 VanDerWaalsContact OE2-CE 3.32Å; E276-K278 WeakPolarHBondContact OE2-CE 3.28Å; E276-K278 IonicContact OE2-NZ 2.74Å; E276-K278 PolarHBondContact OE2-NZ 2.92Å |
| 277 | E | 79.1 | Confident | 86.7 | Confident | 101 Ų | 101 | 35.8 Ų | 35.8 | 47% | 0.472 | 18% | 0.177 | S | C | . | . | trans | 57.7 | 20 | -173.7 | -56.2 | -172.9 | 161.7 | 0 | 0 | 114.8 | D274 T282 | D274-E277 WeakPolarHBondContact O-CA 3.37Å; D274-E277 PolarHBondContact O-N 2.88Å; E277-T282 WeakPolarHBondContact O-CG2 3.07Å; E277-T282 PolarHBondContact O-OG1 3.42Å | ||
| 278 | K | 85.3 | Confident | 86.9 | Confident | 81 Ų | 81 | 35.8 Ų | 35.8 | 35% | 0.352 | 18% | 0.176 | S | C | . | . | trans | -88.6 | 134.5 | -179.3 | -68.8 | 175.4 | -176.4 | 167 | 0 | 110.4 | L164 D274 E276 | L164-K278 HydrophobicContact CD1-CB 4.39Å; L164-K278 HydrophobicContact CD2-CB 4.18Å; L164-K278 HydrophobicContact CD2-CD 4.01Å; D274-K278 PolarHBondContact N-O 3.09Å; E276-K278 HydrophobicContact CB-CD 4.11Å; E276-K278 HydrophobicContact CB-CG 4.16Å; E276-K278 PolarHBondContact O-N 2.89Å; E276-K278 VanDerWaalsContact OE2-CE 3.32Å; E276-K278 WeakPolarHBondContact OE2-CE 3.28Å; E276-K278 IonicContact OE2-NZ 2.74Å; E276-K278 PolarHBondContact OE2-NZ 2.92Å | ||
| 279 | S | 90.5 | Very high | 87 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -149.4 | 170.2 | 172.9 | 71.1 | 0 | 0 | 0 | 0 | 108.2 | A281 T282 L283 | S279-A281 PolarHBondContact O-N 3.31Å; S279-A281 PolarHBondContact OG-N 3.43Å; S279-T282 PolarHBondContact N-OG1 3.38Å; S279-T282 PolarHBondContact O-N 3.35Å; S279-T282 PolarHBondContact OG-N 2.6Å; S279-T282 PolarHBondContact OG-OG1 2.77Å; S279-L283 PolarHBondContact O-N 2.95Å | ||
| 280 | V | 91.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.1 | -35.2 | 174.8 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | M139 T146 L166 L270 L283 F315 L319 | M139-V280 HydrophobicContact CE-CG1 3.96Å; M139-V280 HydrophobicContact SD-CG1 3.54Å; M139-V280 VanDerWaalsContact SD-CG1 3.54Å; T146-V280 HydrophobicContact CG2-CG1 4.25Å; L166-V280 HydrophobicContact CB-CG2 4.42Å; L166-V280 HydrophobicContact CD1-CG2 4.42Å; L270-V280 HydrophobicContact CB-CG2 4.41Å; L270-V280 WeakPolarHBondContact O-CG2 3.38Å; L270-V280 PolarHBondContact O-N 2.9Å; V280-L283 WeakPolarHBondContact O-CB 3.34Å; V280-F315 HydrophobicContact CG1-CZ 4.34Å; V280-L319 HydrophobicContact CG1-CD1 4.07Å |
| 281 | A | 91.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73.1 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S279 L283 V284 L319 E322 I323 L326 | S279-A281 PolarHBondContact O-N 3.31Å; S279-A281 PolarHBondContact OG-N 3.43Å; A281-L283 PolarHBondContact O-N 3.3Å; A281-V284 PolarHBondContact O-N 3.03Å; A281-L319 HydrophobicContact CB-CD1 4.03Å; A281-E322 HydrophobicContact CB-CB 3.77Å; A281-E322 HydrophobicContact CB-CG 3.59Å; A281-I323 HydrophobicContact CB-CG1 4.21Å; A281-L326 HydrophobicContact CB-CD1 3.7Å |
| 282 | T | 91.7 | Very high | 87.6 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -36.8 | 176.2 | -44.1 | 0 | 0 | 0 | 0 | 110.9 | E277 S279 V284 L285 D286 Y332 | E277-T282 WeakPolarHBondContact O-CG2 3.07Å; E277-T282 PolarHBondContact O-OG1 3.42Å; S279-T282 PolarHBondContact N-OG1 3.38Å; S279-T282 PolarHBondContact O-N 3.35Å; S279-T282 PolarHBondContact OG-N 2.6Å; S279-T282 PolarHBondContact OG-OG1 2.77Å; T282-V284 VanDerWaalsContact C-N 3.29Å; T282-V284 PolarHBondContact O-N 3.13Å; T282-L285 PolarHBondContact O-N 2.83Å; T282-D286 WeakPolarHBondContact CG2-OD2 3.25Å; T282-D286 PolarHBondContact O-N 2.74Å; T282-Y332 WeakPolarHBondContact CG2-OH 3.06Å |
| 283 | L | 92.8 | Very high | 87.8 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.7 | -41.6 | -178.7 | -161.1 | 64.7 | 0 | 0 | 0 | 113.3 | T146 V148 E162 L164 S279 V280 A281 L285 T287 | T146-L283 HydrophobicContact CG2-CD2 4.03Å; V148-L283 HydrophobicContact CB-CD2 4.36Å; V148-L283 HydrophobicContact CB-CG 4.26Å; V148-L283 HydrophobicContact CG2-CB 4.21Å; V148-L283 HydrophobicContact CG2-CD2 3.57Å; V148-L283 HydrophobicContact CG2-CG 3.69Å; E162-L283 HydrophobicContact CB-CD1 3.26Å; E162-L283 HydrophobicContact CB-CG 3.9Å; E162-L283 HydrophobicContact CG-CD1 4.18Å; L164-L283 HydrophobicContact CB-CD2 4.46Å; L164-L283 HydrophobicContact CD1-CB 4.22Å; L164-L283 HydrophobicContact CD1-CD1 3.9Å; L164-L283 HydrophobicContact CD1-CD2 4.15Å; L164-L283 HydrophobicContact CD1-CG 4.34Å; L164-L283 HydrophobicContact CD2-CD1 4.44Å; L164-L283 HydrophobicContact CG-CD1 3.7Å; L164-L283 HydrophobicContact CG-CD2 4.08Å; L164-L283 HydrophobicContact CG-CG 4.44Å; S279-L283 PolarHBondContact O-N 2.95Å; V280-L283 WeakPolarHBondContact O-CB 3.34Å; A281-L283 PolarHBondContact O-N 3.3Å; L283-L285 VanDerWaalsContact C-N 3.34Å; L283-T287 WeakPolarHBondContact O-CB 3.32Å; L283-T287 PolarHBondContact O-N 3.23Å; L283-T287 PolarHBondContact O-OG1 2.81Å |
| 284 | V | 92.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 177.1 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | L137 M139 V148 A281 T282 L288 L303 I323 | L137-V284 HydrophobicContact CD2-CG1 3.56Å; M139-V284 HydrophobicContact SD-CG2 3.72Å; V148-V284 HydrophobicContact CG2-CG2 4.34Å; A281-V284 PolarHBondContact O-N 3.03Å; T282-V284 VanDerWaalsContact C-N 3.29Å; T282-V284 PolarHBondContact O-N 3.13Å; V284-L288 WeakPolarHBondContact O-CG 3.25Å; V284-L288 PolarHBondContact O-N 3.39Å; V284-L288 VanDerWaalsContact O-N 3.16Å; V284-L303 HydrophobicContact CG1-CD1 3.99Å; V284-I323 HydrophobicContact CB-CD1 4.38Å; V284-I323 HydrophobicContact CG1-CD1 4.16Å; V284-I323 HydrophobicContact CG2-CD1 4.44Å |
| 285 | L | 91.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73.3 | -42.6 | -178.8 | -63.8 | 176.2 | 0 | 0 | 0 | 112.3 | T282 L283 T287 L288 V289 I323 L326 V327 Y332 L336 F341 | T282-L285 PolarHBondContact O-N 2.83Å; L283-L285 VanDerWaalsContact C-N 3.34Å; L285-T287 VanDerWaalsContact C-N 3.3Å; L285-T287 PolarHBondContact O-N 2.73Å; L285-L288 WeakPolarHBondContact O-CB 3.48Å; L285-L288 PolarHBondContact O-N 3.38Å; L285-L288 VanDerWaalsContact O-N 3.14Å; L285-V289 WeakPolarHBondContact O-CG2 3.49Å; L285-V289 PolarHBondContact O-N 3.16Å; L285-I323 HydrophobicContact CD2-CG2 4.23Å; L285-L326 HydrophobicContact CD1-CB 3.35Å; L285-L326 HydrophobicContact CD1-CD1 4.15Å; L285-L326 HydrophobicContact CD1-CG 4.4Å; L285-V327 HydrophobicContact CD1-CG2 4.26Å; L285-V327 HydrophobicContact CD2-CG2 3.64Å; L285-Y332 HydrophobicContact CB-CD1 3.75Å; L285-Y332 HydrophobicContact CB-CE1 3.56Å; L285-Y332 HydrophobicContact CB-CG 4.38Å; L285-Y332 HydrophobicContact CD1-CD1 4.31Å; L285-Y332 HydrophobicContact CD1-CD2 4.04Å; L285-Y332 HydrophobicContact CD1-CE1 4.48Å; L285-Y332 HydrophobicContact CD1-CE2 4.22Å; L285-Y332 HydrophobicContact CD1-CG 4.1Å; L285-L336 HydrophobicContact CD2-CD1 3.7Å; L285-F341 HydrophobicContact CD2-CE1 4.14Å; L285-F341 HydrophobicContact CD2-CZ 3.81Å |
| 286 | D | 92.1 | Very high | 89.8 | Confident | 28 Ų | 28 | 43.5 Ų | 43.5 | 15% | 0.15 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 177.6 | -71 | -19.1 | 0 | 0 | 0 | 111 | E162 T282 L288 V289 K290 K331 Y332 | E162-D286 HydrophobicContact CG-CB 4.49Å; T282-D286 WeakPolarHBondContact CG2-OD2 3.25Å; T282-D286 PolarHBondContact O-N 2.74Å; D286-L288 PolarHBondContact O-N 2.9Å; D286-V289 PolarHBondContact O-N 2.97Å; D286-K290 PolarHBondContact O-N 2.72Å; D286-K331 IonicContact OD1-NZ 3.34Å; D286-Y332 WeakPolarHBondContact OD1-CE1 3.44Å; D286-Y332 PolarHBondContact OD1-OH 3.49Å |
| 287 | T | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 172.3 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | L137 V148 P150 A160 E162 L283 L285 V289 K290 C291 | L137-T287 HydrophobicContact CD1-CG2 3.64Å; V148-T287 HydrophobicContact CG1-CG2 3.77Å; V148-T287 WeakPolarHBondContact CG1-OG1 3.48Å; P150-T287 HydrophobicContact CB-CG2 4.35Å; P150-T287 HydrophobicContact CG-CG2 3.64Å; A160-T287 WeakPolarHBondContact O-CG2 3.42Å; E162-T287 WeakPolarHBondContact CG-OG1 3.4Å; L283-T287 WeakPolarHBondContact O-CB 3.32Å; L283-T287 PolarHBondContact O-N 3.23Å; L283-T287 PolarHBondContact O-OG1 2.81Å; L285-T287 VanDerWaalsContact C-N 3.3Å; L285-T287 PolarHBondContact O-N 2.73Å; T287-V289 VanDerWaalsContact C-N 3.33Å; T287-V289 PolarHBondContact O-N 3.45Å; T287-K290 PolarHBondContact O-N 3.41Å; T287-C291 PolarHBondContact O-N 3.41Å; T287-C291 VanDerWaalsContact O-N 3.16Å; T287-C291 PolarHBondContact O-SG 3.03Å |
| 288 | L | 91.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -36.2 | 177.3 | -76.3 | 170.4 | 0 | 0 | 0 | 112.7 | L137 V284 L285 D286 C291 R296 L299 L336 F341 | L137-L288 HydrophobicContact CD2-CD1 4.08Å; L137-L288 HydrophobicContact CD2-CD2 3.94Å; L137-L288 HydrophobicContact CD2-CG 3.74Å; V284-L288 WeakPolarHBondContact O-CG 3.25Å; V284-L288 PolarHBondContact O-N 3.39Å; V284-L288 VanDerWaalsContact O-N 3.16Å; L285-L288 WeakPolarHBondContact O-CB 3.48Å; L285-L288 PolarHBondContact O-N 3.38Å; L285-L288 VanDerWaalsContact O-N 3.14Å; D286-L288 PolarHBondContact O-N 2.9Å; L288-C291 WeakPolarHBondContact O-CB 3.49Å; L288-C291 PolarHBondContact O-N 3.04Å; L288-R296 WeakPolarHBondContact O-CD 3.43Å; L288-R296 WeakPolarHBondContact O-CG 3.49Å; L288-R296 PolarHBondContact O-NE 3.17Å; L288-R296 VanDerWaalsContact O-NE 3.16Å; L288-L299 HydrophobicContact CD2-CB 3.62Å; L288-L299 HydrophobicContact CD2-CD1 4.42Å; L288-L336 HydrophobicContact CB-CD2 4.04Å; L288-F341 HydrophobicContact CD1-CE1 3.69Å; L288-F341 HydrophobicContact CD1-CZ 4.3Å |
| 289 | V | 91.7 | Very high | 91.4 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 31% | 0.309 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.2 | -38.2 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L285 D286 T287 C291 R296 Y332 A335 L336 | L285-V289 WeakPolarHBondContact O-CG2 3.49Å; L285-V289 PolarHBondContact O-N 3.16Å; D286-V289 PolarHBondContact O-N 2.97Å; T287-V289 VanDerWaalsContact C-N 3.33Å; T287-V289 PolarHBondContact O-N 3.45Å; V289-C291 PolarHBondContact O-N 3.4Å; V289-R296 PolarHBondContact O-NH2 3.02Å; V289-Y332 HydrophobicContact CG2-CD1 4Å; V289-Y332 HydrophobicContact CG2-CE1 4.25Å; V289-A335 HydrophobicContact CG1-CB 4.44Å; V289-A335 HydrophobicContact CG2-CB 4.01Å; V289-L336 HydrophobicContact CG2-CD2 4.31Å; V289-L336 HydrophobicContact CG2-CG 4.42Å |
| 290 | K | 92.2 | Very high | 91.3 | Very high | 102 Ų | 102 | 35.8 Ų | 35.8 | 44% | 0.443 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.2 | -25.5 | 173.7 | -72.9 | -178 | 175.2 | 178.1 | 0 | 113.3 | A160 E162 D286 T287 | A160-K290 HydrophobicContact CB-CB 3.73Å; E162-K290 HydrophobicContact CG-CD 4.37Å; E162-K290 WeakPolarHBondContact OE1-CE 3.41Å; E162-K290 IonicContact OE1-NZ 3.54Å; E162-K290 PolarHBondContact OE1-NZ 2.92Å; E162-K290 IonicContact OE2-NZ 2.66Å; E162-K290 PolarHBondContact OE2-NZ 3.48Å; D286-K290 PolarHBondContact O-N 2.72Å; T287-K290 PolarHBondContact O-N 3.41Å |
| 291 | C | 91.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -69.5 | 149.2 | 178.3 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | P150 T287 L288 V289 R296 L299 | P150-C291 WeakPolarHBondContact CG-SG 3.4Å; T287-C291 PolarHBondContact O-N 3.41Å; T287-C291 VanDerWaalsContact O-N 3.16Å; T287-C291 PolarHBondContact O-SG 3.03Å; L288-C291 WeakPolarHBondContact O-CB 3.49Å; L288-C291 PolarHBondContact O-N 3.04Å; V289-C291 PolarHBondContact O-N 3.4Å; C291-R296 HydrophobicContact CB-CG 4.28Å; C291-R296 PolarHBondContact O-NE 2.81Å; C291-R296 PolarHBondContact O-NH2 3Å; C291-L299 HydrophobicContact CB-CD1 4.03Å |
| 292 | P | 91.3 | Very high | 91.4 | Very high | 68 Ų | 68 | 39.2 Ų | 39.2 | 44% | 0.442 | 20% | 0.203 | S | C | . | . | trans | -64.8 | 147.2 | 174.4 | 27 | -32.7 | 0 | 0 | 0 | 111.2 | D294 T295 R296 | P292-D294 VanDerWaalsContact C-N 3.28Å; P292-D294 PolarHBondContact O-N 3.45Å; P292-D294 VanDerWaalsContact O-N 3.15Å; P292-T295 WeakPolarHBondContact CD-OG1 3.18Å; P292-T295 HydrophobicContact CG-CG2 3.78Å; P292-T295 WeakPolarHBondContact CG-OG1 3.43Å; P292-T295 PolarHBondContact O-N 2.99Å; P292-T295 PolarHBondContact O-OG1 2.94Å; P292-R296 PolarHBondContact O-N 3.19Å | ||
| 293 | I | 88.7 | Confident | 91.4 | Very high | 130 Ų | 130 | 39.1 Ų | 39.1 | 67% | 0.667 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -52.4 | -43.4 | -167.8 | -60.6 | 171.4 | 0 | 0 | 0 | 112.3 | T295 R296 | I293-T295 VanDerWaalsContact C-N 3.28Å; I293-T295 PolarHBondContact O-N 2.79Å; I293-R296 PolarHBondContact O-N 2.79Å |
| 294 | D | 90.3 | Very high | 91.5 | Very high | 145 Ų | 145 | 38.9 Ų | 38.9 | 78% | 0.775 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -64.8 | -31.4 | -176.3 | -58.8 | -32.8 | 0 | 0 | 0 | 113.2 | P292 | P292-D294 VanDerWaalsContact C-N 3.28Å; P292-D294 PolarHBondContact O-N 3.45Å; P292-D294 VanDerWaalsContact O-N 3.15Å |
| 295 | T | 90.9 | Very high | 91.5 | Very high | 11 Ų | 11 | 39.2 Ų | 39.2 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -82 | -23.8 | -177.4 | 64.9 | 0 | 0 | 0 | 0 | 112.8 | Y152 I157 P292 I293 K297 A298 L299 | Y152-T295 HydrophobicContact CD1-CG2 4.01Å; Y152-T295 HydrophobicContact CD2-CG2 3.71Å; Y152-T295 HydrophobicContact CE1-CG2 4.21Å; Y152-T295 HydrophobicContact CE2-CG2 3.93Å; Y152-T295 HydrophobicContact CG-CG2 3.76Å; I157-T295 HydrophobicContact CD1-CG2 4.39Å; P292-T295 WeakPolarHBondContact CD-OG1 3.18Å; P292-T295 HydrophobicContact CG-CG2 3.78Å; P292-T295 WeakPolarHBondContact CG-OG1 3.43Å; P292-T295 PolarHBondContact O-N 2.99Å; P292-T295 PolarHBondContact O-OG1 2.94Å; I293-T295 VanDerWaalsContact C-N 3.28Å; I293-T295 PolarHBondContact O-N 2.79Å; T295-K297 VanDerWaalsContact C-N 3.32Å; T295-K297 PolarHBondContact O-N 3.26Å; T295-A298 PolarHBondContact O-N 3.02Å; T295-L299 VanDerWaalsContact O-CG 3.28Å; T295-L299 WeakPolarHBondContact O-CG 3.28Å; T295-L299 PolarHBondContact O-N 3.36Å |
| 296 | R | 90.4 | Very high | 91.6 | Very high | 50 Ų | 50 | 39.3 Ų | 39.3 | 19% | 0.189 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.7 | -40.9 | -170 | -64.8 | -176.5 | -175.1 | 166.6 | 3 | 112.9 | L288 V289 C291 P292 I293 L299 S300 A335 | L288-R296 WeakPolarHBondContact O-CD 3.43Å; L288-R296 WeakPolarHBondContact O-CG 3.49Å; L288-R296 PolarHBondContact O-NE 3.17Å; L288-R296 VanDerWaalsContact O-NE 3.16Å; V289-R296 PolarHBondContact O-NH2 3.02Å; C291-R296 HydrophobicContact CB-CG 4.28Å; C291-R296 PolarHBondContact O-NE 2.81Å; C291-R296 PolarHBondContact O-NH2 3Å; P292-R296 PolarHBondContact O-N 3.19Å; I293-R296 PolarHBondContact O-N 2.79Å; R296-L299 PolarHBondContact O-N 3.15Å; R296-S300 WeakPolarHBondContact O-CB 3.45Å; R296-S300 PolarHBondContact O-N 2.9Å; R296-S300 PolarHBondContact O-OG 3.49Å; R296-A335 PolarHBondContact NH1-O 2.94Å |
| 297 | K | 89.7 | Confident | 91.5 | Very high | 120 Ų | 120 | 38.2 Ų | 38.2 | 52% | 0.522 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62 | -53.3 | -179.8 | -177.1 | 179.9 | 176.2 | -175.7 | 0 | 111.1 | T295 L299 S300 E301 T338 | T295-K297 VanDerWaalsContact C-N 3.32Å; T295-K297 PolarHBondContact O-N 3.26Å; K297-L299 VanDerWaalsContact C-N 3.31Å; K297-L299 PolarHBondContact O-N 3.39Å; K297-S300 PolarHBondContact O-N 3.25Å; K297-S300 PolarHBondContact O-OG 3.24Å; K297-E301 WeakPolarHBondContact CE-OE1 3.45Å; K297-E301 WeakPolarHBondContact O-CB 3.47Å; K297-E301 PolarHBondContact O-N 3.31Å; K297-T338 HydrophobicContact CG-CG2 4.24Å |
| 298 | A | 90.9 | Very high | 91.3 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -40.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y152 T295 N302 | Y152-A298 HydrophobicContact CE2-CB 4.13Å; T295-A298 PolarHBondContact O-N 3.02Å; A298-N302 WeakPolarHBondContact O-CB 3.41Å; A298-N302 PolarHBondContact O-N 2.76Å |
| 299 | L | 91.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.2 | -41.2 | 177.7 | -66.7 | 172.3 | 0 | 0 | 0 | 112.4 | G136 L137 P150 V151 L288 C291 T295 R296 K297 N302 | G136-L299 VanDerWaalsContact C-CD2 3.48Å; G136-L299 WeakPolarHBondContact O-CD2 3.4Å; L137-L299 HydrophobicContact CB-CB 4.35Å; P150-L299 HydrophobicContact CB-CD1 3.73Å; P150-L299 HydrophobicContact CB-CD2 4.01Å; V151-L299 VanDerWaalsContact O-CD2 3.29Å; V151-L299 WeakPolarHBondContact O-CD2 3.45Å; L288-L299 HydrophobicContact CD2-CB 3.62Å; L288-L299 HydrophobicContact CD2-CD1 4.42Å; C291-L299 HydrophobicContact CB-CD1 4.03Å; T295-L299 VanDerWaalsContact O-CG 3.28Å; T295-L299 WeakPolarHBondContact O-CG 3.28Å; T295-L299 PolarHBondContact O-N 3.36Å; R296-L299 PolarHBondContact O-N 3.15Å; K297-L299 VanDerWaalsContact C-N 3.31Å; K297-L299 PolarHBondContact O-N 3.39Å; L299-N302 CarbonylContact O-C 3.6Å; L299-N302 PolarHBondContact O-N 3.12Å |
| 300 | S | 89.9 | Confident | 91.2 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.2 | -35.4 | 178.4 | 67.1 | 0 | 0 | 0 | 0 | 113 | R296 K297 N302 T338 S340 F341 R342 | R296-S300 WeakPolarHBondContact O-CB 3.45Å; R296-S300 PolarHBondContact O-N 2.9Å; R296-S300 PolarHBondContact O-OG 3.49Å; K297-S300 PolarHBondContact O-N 3.25Å; K297-S300 PolarHBondContact O-OG 3.24Å; S300-N302 VanDerWaalsContact C-N 3.26Å; S300-N302 PolarHBondContact O-N 3.16Å; S300-T338 WeakPolarHBondContact OG-CG2 3.36Å; S300-S340 CarbonylContact C-O 3.55Å; S300-F341 WeakPolarHBondContact O-CA 3.34Å; S300-R342 PolarHBondContact O-N 3.1Å |
| 301 | E | 91.2 | Very high | 91.1 | Very high | 43 Ų | 43 | 37.9 Ų | 37.9 | 20% | 0.201 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.6 | -22.3 | 177.8 | -82 | -174.2 | -153.9 | 0 | 0 | 113 | K297 R342 H344 | K297-E301 WeakPolarHBondContact CE-OE1 3.45Å; K297-E301 WeakPolarHBondContact O-CB 3.47Å; K297-E301 PolarHBondContact O-N 3.31Å; E301-R342 VanDerWaalsContact O-CB 3.3Å; E301-R342 WeakPolarHBondContact O-CB 3.05Å; E301-R342 PolarHBondContact O-NE 3.34Å; E301-R342 IonicContact OE2-CZ 2.72Å; E301-R342 IonicContact OE2-NH1 3.48Å; E301-R342 IonicContact OE2-NH2 3.48Å; E301-R342 PolarHBondContact OE2-NH2 3.15Å; E301-H344 PolarHBondContact O-NE2 3.26Å |
| 302 | N | 92.7 | Very high | 91 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -124.1 | 71.8 | -174.5 | -63.6 | -21.3 | 0 | 0 | 0 | 110.3 | I133 S135 G136 L137 A298 L299 S300 H344 | I133-N302 HydrophobicContact CD1-CB 4.25Å; S135-N302 WeakPolarHBondContact O-CB 3.31Å; S135-N302 PolarHBondContact O-ND2 3.17Å; G136-N302 CarbonylContact C-O 3.56Å; G136-N302 WeakPolarHBondContact CA-O 3.38Å; L137-N302 PolarHBondContact N-O 3.15Å; A298-N302 WeakPolarHBondContact O-CB 3.41Å; A298-N302 PolarHBondContact O-N 2.76Å; L299-N302 CarbonylContact O-C 3.6Å; L299-N302 PolarHBondContact O-N 3.12Å; S300-N302 VanDerWaalsContact C-N 3.26Å; S300-N302 PolarHBondContact O-N 3.16Å; N302-H344 PolarHBondContact OD1-NE2 3.16Å |
| 303 | L | 93.3 | Very high | 91 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 125.2 | 175.2 | -175 | 64.7 | 0 | 0 | 0 | 110.3 | L137 V284 I305 I323 R342 L343 H344 | L137-L303 HydrophobicContact CB-CD1 4.03Å; L137-L303 HydrophobicContact CD2-CD1 3.96Å; L137-L303 HydrophobicContact CG-CD1 3.96Å; V284-L303 HydrophobicContact CG1-CD1 3.99Å; L303-I305 HydrophobicContact CD2-CD1 4.47Å; L303-I305 HydrophobicContact CG-CG1 4.35Å; L303-I323 HydrophobicContact CD2-CD1 4.05Å; L303-R342 WeakPolarHBondContact CB-O 3.48Å; L303-R342 PolarHBondContact N-O 3.01Å; L303-L343 HydrophobicContact CD2-CD1 4.07Å; L303-L343 HydrophobicContact CD2-CG 4.21Å; L303-L343 WeakPolarHBondContact O-CA 3.32Å; L303-H344 PolarHBondContact O-N 3.31Å |
| 304 | V | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.7 | 178.9 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | L131 I133 L137 V138 M139 I306 | L131-V304 HydrophobicContact CD1-CB 4.21Å; L131-V304 HydrophobicContact CD1-CG1 3.71Å; L131-V304 HydrophobicContact CD1-CG2 3.39Å; I133-V304 HydrophobicContact CD1-CG2 4.01Å; L137-V304 PolarHBondContact O-N 3.22Å; V138-V304 CarbonylContact C-O 3.57Å; V138-V304 WeakPolarHBondContact CA-O 3.4Å; V138-V304 HydrophobicContact CG2-CB 4.26Å; M139-V304 PolarHBondContact N-O 3.21Å; V304-I306 HydrophobicContact CG1-CG2 4.07Å |
| 305 | I | 93.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.036 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.3 | -178.2 | -56.6 | 171.5 | 0 | 0 | 0 | 108.2 | M139 L303 A310 F315 L316 L319 L343 | M139-I305 HydrophobicContact CE-CD1 4.24Å; M139-I305 HydrophobicContact CE-CG1 4.1Å; M139-I305 HydrophobicContact CE-CG2 3.7Å; L303-I305 HydrophobicContact CD2-CD1 4.47Å; L303-I305 HydrophobicContact CG-CG1 4.35Å; I305-A310 HydrophobicContact CG2-CB 3.57Å; I305-F315 HydrophobicContact CG2-CE1 4.22Å; I305-L316 HydrophobicContact CB-CD2 4.18Å; I305-L316 HydrophobicContact CD1-CD2 3.66Å; I305-L316 HydrophobicContact CG2-CD2 4.18Å; I305-L319 HydrophobicContact CD1-CD2 3.33Å; I305-L319 HydrophobicContact CG1-CD2 4.3Å; I305-L343 HydrophobicContact CD1-CD2 3.43Å; I305-L343 VanDerWaalsContact CD1-CD2 3.43Å; I305-L343 HydrophobicContact CD1-CG 4.08Å |
| 306 | I | 92.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 173.9 | -179.8 | 69.5 | 178.7 | 0 | 0 | 0 | 110.4 | S127 V138 M139 D140 C141 V304 T353 | S127-I306 WeakPolarHBondContact OG-CD1 3.37Å; V138-I306 HydrophobicContact CG1-CD1 3.67Å; V138-I306 HydrophobicContact CG1-CG1 4.01Å; V138-I306 HydrophobicContact CG1-CG2 4.48Å; M139-I306 PolarHBondContact O-N 3.01Å; D140-I306 HydrophobicContact CB-CD1 3.82Å; D140-I306 HydrophobicContact CB-CG1 3.62Å; C141-I306 PolarHBondContact N-O 3.46Å; V304-I306 HydrophobicContact CG1-CG2 4.07Å; I306-T353 HydrophobicContact CG2-CG2 3.86Å |
| 307 | G | 89.9 | Confident | 91.2 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 6% | 0.062 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 104.3 | 169.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D140 C141 P350 N351 | D140-G307 WeakPolarHBondContact OD1-CA 3.31Å; C141-G307 CarbonylContact O-C 3.47Å; C141-G307 WeakPolarHBondContact O-CA 3.44Å; G307-P350 PolarHBondContact N-O 3.06Å; G307-N351 PolarHBondContact O-N 3.43Å |
| 308 | G | 88.7 | Confident | 91.4 | Very high | 35 Ų | 35 | 28.5 Ų | 28.5 | 36% | 0.361 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -72.8 | -40.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C141 A310 M311 | C141-G308 PolarHBondContact O-N 2.93Å; G308-A310 VanDerWaalsContact C-N 3.27Å; G308-A310 PolarHBondContact O-N 3.38Å; G308-M311 WeakPolarHBondContact O-CB 3.33Å; G308-M311 PolarHBondContact O-N 3.43Å; G308-M311 VanDerWaalsContact O-N 3.15Å |
| 309 | T | 90.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 7% | 0.067 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -68.2 | -29.7 | -177.2 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | C141 G142 I171 L270 M311 L312 | C141-T309 PolarHBondContact O-N 2.9Å; C141-T309 PolarHBondContact O-OG1 3.37Å; G142-T309 PolarHBondContact O-OG1 3.39Å; I171-T309 HydrophobicContact CD1-CG2 3.63Å; L270-T309 HydrophobicContact CD1-CG2 3.99Å; T309-M311 PolarHBondContact O-N 2.89Å; T309-M311 VanDerWaalsContact O-N 3.14Å; T309-L312 HydrophobicContact CG2-CD1 3.9Å; T309-L312 WeakPolarHBondContact O-CB 3.46Å; T309-L312 WeakPolarHBondContact O-CD1 3.44Å; T309-L312 VanDerWaalsContact O-CG 3.28Å; T309-L312 WeakPolarHBondContact O-CG 3.2Å; T309-L312 PolarHBondContact O-N 3.29Å |
| 310 | A | 90.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -66.6 | -11.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I305 G308 L312 F315 P350 | I305-A310 HydrophobicContact CG2-CB 3.57Å; G308-A310 VanDerWaalsContact C-N 3.27Å; G308-A310 PolarHBondContact O-N 3.38Å; A310-L312 PolarHBondContact O-N 3.1Å; A310-F315 HydrophobicContact CB-CD1 4.11Å; A310-F315 HydrophobicContact CB-CE1 4.09Å; A310-P350 HydrophobicContact CB-CB 4.36Å |
| 311 | M | 90.6 | Very high | 91.6 | Very high | 96 Ų | 96 | 29.2 Ų | 29.2 | 47% | 0.473 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -77.2 | -8.5 | 175.5 | -66.2 | -173.4 | 58.9 | 0 | 0 | 113.6 | G308 T309 K349 P350 N351 | G308-M311 WeakPolarHBondContact O-CB 3.33Å; G308-M311 PolarHBondContact O-N 3.43Å; G308-M311 VanDerWaalsContact O-N 3.15Å; T309-M311 PolarHBondContact O-N 2.89Å; T309-M311 VanDerWaalsContact O-N 3.14Å; M311-K349 HydrophobicContact CE-CB 4.45Å; M311-P350 HydrophobicContact CG-CB 4.33Å; M311-P350 HydrophobicContact CG-CG 4.4Å; M311-N351 HydrophobicContact CG-CB 4.33Å; M311-N351 HydrophobicContact SD-CB 3.39Å; M311-N351 WeakPolarHBondContact SD-CB 3.36Å |
| 312 | L | 90.5 | Very high | 91.6 | Very high | 20 Ų | 20 | 27.2 Ų | 27.2 | 11% | 0.105 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -61.6 | 139.1 | 178.8 | -70.5 | 166.2 | 0 | 0 | 0 | 111.4 | V217 M267 T309 A310 G314 F315 | V217-L312 HydrophobicContact CG2-CB 3.94Å; V217-L312 HydrophobicContact CG2-CD1 4.43Å; M267-L312 HydrophobicContact CE-CD1 4.43Å; M267-L312 HydrophobicContact SD-CD1 3.48Å; M267-L312 WeakPolarHBondContact SD-CD1 3.45Å; M267-L312 HydrophobicContact SD-CD2 4.4Å; T309-L312 HydrophobicContact CG2-CD1 3.9Å; T309-L312 WeakPolarHBondContact O-CB 3.46Å; T309-L312 WeakPolarHBondContact O-CD1 3.44Å; T309-L312 VanDerWaalsContact O-CG 3.28Å; T309-L312 WeakPolarHBondContact O-CG 3.2Å; T309-L312 PolarHBondContact O-N 3.29Å; A310-L312 PolarHBondContact O-N 3.1Å; L312-G314 PolarHBondContact O-N 2.79Å; L312-F315 HydrophobicContact CB-CB 4.28Å; L312-F315 WeakPolarHBondContact O-CB 3.45Å; L312-F315 PolarHBondContact O-N 3.29Å |
| 313 | P | 90.3 | Very high | 91.5 | Very high | 76 Ų | 76 | 25.8 Ų | 25.8 | 49% | 0.494 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 131.2 | -179.4 | 27.5 | -32.9 | 0 | 0 | 0 | 110.2 | F216 V217 F315 | F216-P313 HydrophobicContact CB-CG 3.92Å; V217-P313 PolarHBondContact N-O 3.39Å; P313-F315 VanDerWaalsContact C-N 3.33Å |
| 314 | G | 89.3 | Confident | 91.4 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 41% | 0.412 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -8.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L312 L316 H317 R318 | L312-G314 PolarHBondContact O-N 2.79Å; G314-L316 PolarHBondContact O-N 3.23Å; G314-H317 PolarHBondContact O-N 2.8Å; G314-R318 PolarHBondContact O-N 2.68Å; G314-R318 VanDerWaalsContact O-N 3.1Å |
| 315 | F | 92.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.7 | -48.2 | -174.9 | -176.2 | -95.9 | 0 | 0 | 0 | 113.4 | M139 V217 L270 F271 V280 I305 A310 L312 P313 H317 R318 L319 | M139-F315 HydrophobicContact CE-CE1 3.94Å; M139-F315 HydrophobicContact CE-CZ 4.16Å; V217-F315 HydrophobicContact CG2-CB 3.96Å; V217-F315 HydrophobicContact CG2-CD2 4.14Å; L270-F315 HydrophobicContact CD1-CE2 4.21Å; F271-F315 HydrophobicContact CE2-CD2 4.26Å; F271-F315 HydrophobicContact CE2-CE2 4.2Å; F271-F315 AromaticContact CZ-CD2 3.92Å; F271-F315 HydrophobicContact CZ-CD2 3.92Å; F271-F315 AromaticContact CZ-CE2 3.71Å; F271-F315 HydrophobicContact CZ-CE2 3.71Å; F271-F315 HydrophobicContact CZ-CZ 4.42Å; V280-F315 HydrophobicContact CG1-CZ 4.34Å; I305-F315 HydrophobicContact CG2-CE1 4.22Å; A310-F315 HydrophobicContact CB-CD1 4.11Å; A310-F315 HydrophobicContact CB-CE1 4.09Å; L312-F315 HydrophobicContact CB-CB 4.28Å; L312-F315 WeakPolarHBondContact O-CB 3.45Å; L312-F315 PolarHBondContact O-N 3.29Å; P313-F315 VanDerWaalsContact C-N 3.33Å; F315-H317 PolarHBondContact O-N 2.88Å; F315-R318 PolarHBondContact O-N 2.98Å; F315-L319 HydrophobicContact CE1-CD2 4.37Å; F315-L319 WeakPolarHBondContact O-CB 3.28Å; F315-L319 PolarHBondContact O-N 2.62Å |
| 316 | L | 92 | Very high | 91 | Very high | 71 Ų | 71 | 36 Ų | 36 | 37% | 0.372 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.4 | -40.3 | -177.3 | -57.9 | 178 | 0 | 0 | 0 | 112.6 | I305 G314 L320 L343 | I305-L316 HydrophobicContact CB-CD2 4.18Å; I305-L316 HydrophobicContact CD1-CD2 3.66Å; I305-L316 HydrophobicContact CG2-CD2 4.18Å; G314-L316 PolarHBondContact O-N 3.23Å; L316-L320 WeakPolarHBondContact O-CB 3.47Å; L316-L320 PolarHBondContact O-N 3.02Å; L316-L320 VanDerWaalsContact O-N 3.09Å; L316-L343 HydrophobicContact CB-CD2 4.19Å; L316-L343 HydrophobicContact CD2-CD2 4.16Å |
| 317 | H | 92 | Very high | 90.8 | Very high | 119 Ų | 119 | 36.1 Ų | 36.1 | 55% | 0.551 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -67.8 | -45.6 | 179.3 | -179.1 | -105.6 | 0 | 0 | 0 | 110.9 | D219 G314 F315 L320 A321 | D219-H317 IonicContact OD1-CE1 2.88Å; D219-H317 IonicContact OD1-ND1 3.69Å; D219-H317 PolarHBondContact OD1-ND1 3.01Å; G314-H317 PolarHBondContact O-N 2.8Å; F315-H317 PolarHBondContact O-N 2.88Å; H317-L320 PolarHBondContact O-N 2.92Å; H317-A321 WeakPolarHBondContact O-CB 3.15Å; H317-A321 PolarHBondContact O-N 3.3Å |
| 318 | R | 92.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.1 | -49.9 | 176.8 | 175.8 | 56.8 | -178.2 | -79 | -0.4 | 111.3 | V217 S218 E268 F271 G314 F315 L320 A321 E322 | V217-R318 HydrophobicContact CG1-CB 3.54Å; V217-R318 HydrophobicContact CG1-CG 3.71Å; S218-R318 VanDerWaalsContact O-CD 3.31Å; S218-R318 WeakPolarHBondContact O-CD 3.36Å; S218-R318 PolarHBondContact O-NH1 3.28Å; E268-R318 IonicContact OE1-CZ 3.34Å; E268-R318 IonicContact OE1-NH1 3.68Å; E268-R318 IonicContact OE1-NH2 3.9Å; E268-R318 PolarHBondContact OE1-NH2 3.35Å; E268-R318 IonicContact OE2-CZ 3.73Å; E268-R318 IonicContact OE2-NH1 3.97Å; E268-R318 PolarHBondContact OE2-NH1 3.41Å; E268-R318 IonicContact OE2-NH2 3.56Å; E268-R318 PolarHBondContact OE2-NH2 3.09Å; F271-R318 HydrophobicContact CD1-CG 4.11Å; F271-R318 HydrophobicContact CD2-CG 3.94Å; F271-R318 HydrophobicContact CE1-CG 3.89Å; F271-R318 HydrophobicContact CE2-CB 4.48Å; F271-R318 HydrophobicContact CE2-CG 3.7Å; F271-R318 HydrophobicContact CG-CG 4.13Å; F271-R318 HydrophobicContact CZ-CB 4.23Å; F271-R318 HydrophobicContact CZ-CG 3.67Å; G314-R318 PolarHBondContact O-N 2.68Å; G314-R318 VanDerWaalsContact O-N 3.1Å; F315-R318 PolarHBondContact O-N 2.98Å; R318-L320 VanDerWaalsContact C-N 3.35Å; R318-L320 PolarHBondContact O-N 3.28Å; R318-A321 PolarHBondContact O-N 3.27Å; R318-E322 IonicContact CZ-OE2 2.86Å; R318-E322 IonicContact NE-OE2 3.76Å; R318-E322 PolarHBondContact NE-OE2 3.32Å; R318-E322 IonicContact NH2-OE2 2.84Å; R318-E322 PolarHBondContact NH2-OE2 3.45Å; R318-E322 WeakPolarHBondContact O-CB 3.49Å; R318-E322 PolarHBondContact O-N 3.31Å |
| 319 | L | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.4 | -45.9 | 179.7 | -177.2 | 75.7 | 0 | 0 | 0 | 111.9 | M139 F271 V280 A281 I305 F315 A321 E322 I323 | M139-L319 HydrophobicContact CE-CD1 4.27Å; M139-L319 HydrophobicContact CE-CD2 3.34Å; M139-L319 HydrophobicContact CE-CG 4.43Å; M139-L319 HydrophobicContact SD-CD2 4.34Å; F271-L319 HydrophobicContact CE1-CB 4.17Å; F271-L319 HydrophobicContact CE1-CD1 3.96Å; V280-L319 HydrophobicContact CG1-CD1 4.07Å; A281-L319 HydrophobicContact CB-CD1 4.03Å; I305-L319 HydrophobicContact CD1-CD2 3.33Å; I305-L319 HydrophobicContact CG1-CD2 4.3Å; F315-L319 HydrophobicContact CE1-CD2 4.37Å; F315-L319 WeakPolarHBondContact O-CB 3.28Å; F315-L319 PolarHBondContact O-N 2.62Å; L319-A321 VanDerWaalsContact C-N 3.34Å; L319-A321 PolarHBondContact O-N 3.25Å; L319-E322 PolarHBondContact O-N 3.28Å; L319-I323 HydrophobicContact CD1-CD1 4.33Å; L319-I323 HydrophobicContact CD2-CD1 4.33Å; L319-I323 HydrophobicContact CG-CD1 3.88Å; L319-I323 HydrophobicContact CG-CG1 4.46Å; L319-I323 WeakPolarHBondContact O-CB 3.49Å; L319-I323 VanDerWaalsContact O-CG1 3.28Å; L319-I323 WeakPolarHBondContact O-CG1 3.24Å; L319-I323 PolarHBondContact O-N 2.83Å |
| 320 | L | 92.2 | Very high | 90.2 | Very high | 29 Ų | 29 | 45.8 Ų | 45.8 | 15% | 0.152 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -37.7 | 179.6 | -178.6 | 59.4 | 0 | 0 | 0 | 112.2 | L316 H317 R318 R324 F341 L343 | L316-L320 WeakPolarHBondContact O-CB 3.47Å; L316-L320 PolarHBondContact O-N 3.02Å; L316-L320 VanDerWaalsContact O-N 3.09Å; H317-L320 PolarHBondContact O-N 2.92Å; R318-L320 VanDerWaalsContact C-N 3.35Å; R318-L320 PolarHBondContact O-N 3.28Å; L320-R324 WeakPolarHBondContact O-CD 3.25Å; L320-R324 VanDerWaalsContact O-CG 3.25Å; L320-R324 WeakPolarHBondContact O-CG 3.45Å; L320-R324 PolarHBondContact O-N 2.85Å; L320-R324 VanDerWaalsContact O-N 3.12Å; L320-F341 HydrophobicContact CD1-CB 4.05Å; L320-L343 HydrophobicContact CB-CD1 4.2Å; L320-L343 HydrophobicContact CD1-CD1 3.66Å; L320-L343 HydrophobicContact CD2-CD1 4.06Å; L320-L343 HydrophobicContact CG-CD1 4.17Å |
| 321 | A | 92.1 | Very high | 90 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L220 H317 R318 L319 R324 L325 | L220-A321 HydrophobicContact CB-CB 4.09Å; L220-A321 HydrophobicContact CD2-CB 4.11Å; H317-A321 WeakPolarHBondContact O-CB 3.15Å; H317-A321 PolarHBondContact O-N 3.3Å; R318-A321 PolarHBondContact O-N 3.27Å; L319-A321 VanDerWaalsContact C-N 3.34Å; L319-A321 PolarHBondContact O-N 3.25Å; A321-R324 PolarHBondContact O-N 2.99Å; A321-L325 PolarHBondContact O-N 3.02Å |
| 322 | E | 91.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -46.1 | 177.7 | -154.1 | 72.2 | -128.3 | 0 | 0 | 111.5 | L220 F271 A281 R318 L319 R324 L325 L326 | L220-E322 VanDerWaalsContact CD1-CD 3.49Å; L220-E322 WeakPolarHBondContact CD1-OE1 3.43Å; L220-E322 WeakPolarHBondContact CD1-OE2 3.34Å; F271-E322 HydrophobicContact CD1-CB 4.49Å; F271-E322 HydrophobicContact CD1-CG 4.3Å; A281-E322 HydrophobicContact CB-CB 3.77Å; A281-E322 HydrophobicContact CB-CG 3.59Å; R318-E322 IonicContact CZ-OE2 2.86Å; R318-E322 IonicContact NE-OE2 3.76Å; R318-E322 PolarHBondContact NE-OE2 3.32Å; R318-E322 IonicContact NH2-OE2 2.84Å; R318-E322 PolarHBondContact NH2-OE2 3.45Å; R318-E322 WeakPolarHBondContact O-CB 3.49Å; R318-E322 PolarHBondContact O-N 3.31Å; L319-E322 PolarHBondContact O-N 3.28Å; E322-R324 VanDerWaalsContact C-N 3.31Å; E322-R324 PolarHBondContact O-N 3.17Å; E322-L325 WeakPolarHBondContact O-CB 3.5Å; E322-L325 PolarHBondContact O-N 3.2Å; E322-L326 HydrophobicContact CG-CD1 4.38Å; E322-L326 WeakPolarHBondContact O-CB 3.43Å; E322-L326 WeakPolarHBondContact O-CG 3.48Å; E322-L326 PolarHBondContact O-N 3.09Å |
| 323 | I | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 175.7 | -71.6 | 169.6 | 0 | 0 | 0 | 110.4 | A281 V284 L285 L303 L319 L325 L326 V327 F341 | A281-I323 HydrophobicContact CB-CG1 4.21Å; V284-I323 HydrophobicContact CB-CD1 4.38Å; V284-I323 HydrophobicContact CG1-CD1 4.16Å; V284-I323 HydrophobicContact CG2-CD1 4.44Å; L285-I323 HydrophobicContact CD2-CG2 4.23Å; L303-I323 HydrophobicContact CD2-CD1 4.05Å; L319-I323 HydrophobicContact CD1-CD1 4.33Å; L319-I323 HydrophobicContact CD2-CD1 4.33Å; L319-I323 HydrophobicContact CG-CD1 3.88Å; L319-I323 HydrophobicContact CG-CG1 4.46Å; L319-I323 WeakPolarHBondContact O-CB 3.49Å; L319-I323 VanDerWaalsContact O-CG1 3.28Å; L319-I323 WeakPolarHBondContact O-CG1 3.24Å; L319-I323 PolarHBondContact O-N 2.83Å; I323-L325 VanDerWaalsContact C-N 3.33Å; I323-L325 PolarHBondContact O-N 2.75Å; I323-L326 PolarHBondContact O-N 3.44Å; I323-V327 HydrophobicContact CG2-CG2 4.15Å; I323-V327 WeakPolarHBondContact O-CB 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.45Å; I323-F341 HydrophobicContact CG2-CD1 3.82Å; I323-F341 HydrophobicContact CG2-CD2 4Å; I323-F341 HydrophobicContact CG2-CE1 3.85Å; I323-F341 HydrophobicContact CG2-CE2 4.07Å; I323-F341 HydrophobicContact CG2-CG 3.88Å; I323-F341 HydrophobicContact CG2-CZ 3.98Å |
| 324 | R | 90.4 | Very high | 88.9 | Confident | 143 Ų | 143 | 55 Ų | 55 | 54% | 0.54 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 178.6 | -74.1 | 168.9 | 179.5 | 168.8 | -0 | 112.3 | L320 A321 E322 | L320-R324 WeakPolarHBondContact O-CD 3.25Å; L320-R324 VanDerWaalsContact O-CG 3.25Å; L320-R324 WeakPolarHBondContact O-CG 3.45Å; L320-R324 PolarHBondContact O-N 2.85Å; L320-R324 VanDerWaalsContact O-N 3.12Å; A321-R324 PolarHBondContact O-N 2.99Å; E322-R324 VanDerWaalsContact C-N 3.31Å; E322-R324 PolarHBondContact O-N 3.17Å |
| 325 | L | 89.9 | Confident | 88.5 | Confident | 78 Ų | 78 | 54.6 Ų | 54.6 | 41% | 0.408 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 175.8 | -177.1 | 70.2 | 0 | 0 | 0 | 111.4 | L220 A321 E322 I323 V327 D328 | L220-L325 HydrophobicContact CD1-CD2 4.05Å; L220-L325 HydrophobicContact CD2-CB 4.37Å; L220-L325 HydrophobicContact CD2-CD2 4.27Å; A321-L325 PolarHBondContact O-N 3.02Å; E322-L325 WeakPolarHBondContact O-CB 3.5Å; E322-L325 PolarHBondContact O-N 3.2Å; I323-L325 VanDerWaalsContact C-N 3.33Å; I323-L325 PolarHBondContact O-N 2.75Å; L325-V327 PolarHBondContact O-N 2.87Å; L325-D328 PolarHBondContact O-N 3.35Å |
| 326 | L | 88.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.8 | -32.6 | -178 | -70.4 | 174.7 | 0 | 0 | 0 | 112.9 | A281 L285 E322 I323 D328 K329 Y332 | A281-L326 HydrophobicContact CB-CD1 3.7Å; L285-L326 HydrophobicContact CD1-CB 3.35Å; L285-L326 HydrophobicContact CD1-CD1 4.15Å; L285-L326 HydrophobicContact CD1-CG 4.4Å; E322-L326 HydrophobicContact CG-CD1 4.38Å; E322-L326 WeakPolarHBondContact O-CB 3.43Å; E322-L326 WeakPolarHBondContact O-CG 3.48Å; E322-L326 PolarHBondContact O-N 3.09Å; I323-L326 PolarHBondContact O-N 3.44Å; L326-D328 PolarHBondContact O-N 2.93Å; L326-K329 HydrophobicContact CD2-CD 3.86Å; L326-K329 VanDerWaalsContact O-CB 3.29Å; L326-K329 WeakPolarHBondContact O-CB 3.04Å; L326-K329 PolarHBondContact O-N 3.01Å; L326-Y332 VanDerWaalsContact O-CD2 3.32Å; L326-Y332 WeakPolarHBondContact O-CD2 3.37Å |
| 327 | V | 89.1 | Confident | 86.5 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -30 | 177.3 | 168.9 | 0 | 0 | 0 | 0 | 112.2 | L285 I323 L325 K329 K339 F341 | L285-V327 HydrophobicContact CD1-CG2 4.26Å; L285-V327 HydrophobicContact CD2-CG2 3.64Å; I323-V327 HydrophobicContact CG2-CG2 4.15Å; I323-V327 WeakPolarHBondContact O-CB 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.45Å; L325-V327 PolarHBondContact O-N 2.87Å; V327-K329 VanDerWaalsContact C-N 3.3Å; V327-K339 HydrophobicContact CG1-CG 4.32Å; V327-F341 HydrophobicContact CB-CE2 4.42Å; V327-F341 HydrophobicContact CG1-CE2 4.35Å; V327-F341 HydrophobicContact CG2-CD2 4.36Å; V327-F341 HydrophobicContact CG2-CE2 3.37Å; V327-F341 HydrophobicContact CG2-CZ 3.6Å |
| 328 | D | 87.3 | Confident | 85.4 | Confident | 97 Ų | 97 | 52.9 Ų | 52.9 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.5 | 177.4 | -72.2 | -30.8 | 0 | 0 | 0 | 113 | L325 L326 K339 | L325-D328 PolarHBondContact O-N 3.35Å; L326-D328 PolarHBondContact O-N 2.93Å; D328-K339 IonicContact OD1-NZ 2.7Å; D328-K339 PolarHBondContact OD1-NZ 3.39Å |
| 329 | K | 86.5 | Confident | 84.3 | Confident | 67 Ų | 67 | 59.2 Ų | 59.2 | 29% | 0.291 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -64.4 | 143.4 | 171.7 | -71.1 | -172.7 | 172.7 | -176.1 | 0 | 110.3 | L326 V327 K331 Y332 R333 | L326-K329 HydrophobicContact CD2-CD 3.86Å; L326-K329 VanDerWaalsContact O-CB 3.29Å; L326-K329 WeakPolarHBondContact O-CB 3.04Å; L326-K329 PolarHBondContact O-N 3.01Å; V327-K329 VanDerWaalsContact C-N 3.3Å; K329-K331 VanDerWaalsContact C-N 3.26Å; K329-K331 PolarHBondContact O-N 3.32Å; K329-Y332 HydrophobicContact CB-CD2 4.39Å; K329-Y332 PolarHBondContact O-N 3.42Å; K329-R333 WeakPolarHBondContact O-CB 3.48Å; K329-R333 PolarHBondContact O-N 3.45Å |
| 330 | P | 83.3 | Confident | 83.6 | Confident | 90 Ų | 90 | 61.6 Ų | 61.6 | 58% | 0.584 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -57.9 | -37.3 | -173.9 | 23 | -33.9 | 0 | 0 | 0 | 113.1 | Y332 R333 D334 | P330-Y332 VanDerWaalsContact C-N 3.27Å; P330-Y332 PolarHBondContact O-N 3.01Å; P330-R333 PolarHBondContact O-N 3.04Å; P330-D334 PolarHBondContact O-N 3Å |
| 331 | K | 84.7 | Confident | 83.4 | Confident | 111 Ų | 111 | 61 Ų | 61 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -52.3 | -42.4 | 176.6 | -176.6 | -175.3 | 175.9 | -164.9 | 0 | 112.9 | D286 K329 | D286-K331 IonicContact OD1-NZ 3.34Å; K329-K331 VanDerWaalsContact C-N 3.26Å; K329-K331 PolarHBondContact O-N 3.32Å |
| 332 | Y | 85 | Confident | 83.2 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -95.2 | -31.8 | -176.2 | -63.8 | -67.5 | 0 | 0 | 0 | 112.4 | T282 L285 D286 V289 L326 K329 P330 D334 A335 L336 | T282-Y332 WeakPolarHBondContact CG2-OH 3.06Å; L285-Y332 HydrophobicContact CB-CD1 3.75Å; L285-Y332 HydrophobicContact CB-CE1 3.56Å; L285-Y332 HydrophobicContact CB-CG 4.38Å; L285-Y332 HydrophobicContact CD1-CD1 4.31Å; L285-Y332 HydrophobicContact CD1-CD2 4.04Å; L285-Y332 HydrophobicContact CD1-CE1 4.48Å; L285-Y332 HydrophobicContact CD1-CE2 4.22Å; L285-Y332 HydrophobicContact CD1-CG 4.1Å; D286-Y332 WeakPolarHBondContact OD1-CE1 3.44Å; D286-Y332 PolarHBondContact OD1-OH 3.49Å; V289-Y332 HydrophobicContact CG2-CD1 4Å; V289-Y332 HydrophobicContact CG2-CE1 4.25Å; L326-Y332 VanDerWaalsContact O-CD2 3.32Å; L326-Y332 WeakPolarHBondContact O-CD2 3.37Å; K329-Y332 HydrophobicContact CB-CD2 4.39Å; K329-Y332 PolarHBondContact O-N 3.42Å; P330-Y332 VanDerWaalsContact C-N 3.27Å; P330-Y332 PolarHBondContact O-N 3.01Å; Y332-D334 VanDerWaalsContact C-N 3.29Å; Y332-D334 PolarHBondContact O-N 2.86Å; Y332-A335 PolarHBondContact O-N 3.02Å; Y332-L336 HydrophobicContact CD1-CD1 4.41Å; Y332-L336 VanDerWaalsContact O-CB 3.3Å; Y332-L336 WeakPolarHBondContact O-CB 3.48Å; Y332-L336 PolarHBondContact O-N 3.19Å |
| 333 | R | 83.1 | Confident | 83.2 | Confident | 148 Ų | 148 | 68.1 Ų | 68.1 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.6 | -40.8 | 179.4 | -167.6 | -172.8 | 75.8 | 175.8 | 3.4 | 112.7 | K329 P330 A335 | K329-R333 WeakPolarHBondContact O-CB 3.48Å; K329-R333 PolarHBondContact O-N 3.45Å; P330-R333 PolarHBondContact O-N 3.04Å; R333-A335 VanDerWaalsContact C-N 3.35Å |
| 334 | D | 81.5 | Confident | 83 | Confident | 128 Ų | 128 | 71.1 Ų | 71.1 | 68% | 0.684 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -24 | -177.3 | -61 | -15.4 | 0 | 0 | 0 | 111.7 | P330 Y332 | P330-D334 PolarHBondContact O-N 3Å; Y332-D334 VanDerWaalsContact C-N 3.29Å; Y332-D334 PolarHBondContact O-N 2.86Å |
| 335 | A | 80.1 | Confident | 82.8 | Confident | 31 Ų | 31 | 68.8 Ų | 68.8 | 26% | 0.256 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -30.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V289 R296 Y332 R333 | V289-A335 HydrophobicContact CG1-CB 4.44Å; V289-A335 HydrophobicContact CG2-CB 4.01Å; R296-A335 PolarHBondContact NH1-O 2.94Å; Y332-A335 PolarHBondContact O-N 3.02Å; R333-A335 VanDerWaalsContact C-N 3.35Å |
| 336 | L | 77.3 | Confident | 82.6 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | trans | -109.7 | 101.2 | -175.3 | -60.9 | 176.2 | 0 | 0 | 0 | 110 | L285 L288 V289 Y332 T338 | L285-L336 HydrophobicContact CD2-CD1 3.7Å; L288-L336 HydrophobicContact CB-CD2 4.04Å; V289-L336 HydrophobicContact CG2-CD2 4.31Å; V289-L336 HydrophobicContact CG2-CG 4.42Å; Y332-L336 HydrophobicContact CD1-CD1 4.41Å; Y332-L336 VanDerWaalsContact O-CB 3.3Å; Y332-L336 WeakPolarHBondContact O-CB 3.48Å; Y332-L336 PolarHBondContact O-N 3.19Å; L336-T338 PolarHBondContact O-N 3.27Å | ||
| 337 | A | 65.6 | Low | 82.4 | Confident | 108 Ų | 108 | 70.9 Ų | 70.9 | 89% | 0.893 | 38% | 0.384 | S | S | * | . | trans | -70.6 | -16.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 338 | T | 68.6 | Low | 82.4 | Confident | 33 Ų | 33 | 71.8 Ų | 71.8 | 20% | 0.202 | 39% | 0.392 | C | S | . | . | trans | -108.4 | 129.8 | -174.4 | -56.2 | 0 | 0 | 0 | 0 | 111 | K297 S300 L336 S340 | K297-T338 HydrophobicContact CG-CG2 4.24Å; S300-T338 WeakPolarHBondContact OG-CG2 3.36Å; L336-T338 PolarHBondContact O-N 3.27Å; T338-S340 VanDerWaalsContact CG2-OG 3.25Å; T338-S340 WeakPolarHBondContact CG2-OG 3.49Å | ||
| 339 | K | 69 | Low | 82.5 | Confident | 133 Ų | 133 | 74 Ų | 74 | 58% | 0.578 | 40% | 0.397 | S | S | * | . | trans | -105.3 | -1.4 | 178.5 | -63.5 | -165.4 | 173.8 | -150 | 0 | 114.3 | V327 D328 F341 | V327-K339 HydrophobicContact CG1-CG 4.32Å; D328-K339 IonicContact OD1-NZ 2.7Å; D328-K339 PolarHBondContact OD1-NZ 3.39Å; K339-F341 PolarHBondContact O-N 3.06Å | ||
| 340 | S | 79.4 | Confident | 82.7 | Confident | 50 Ų | 50 | 72.2 Ų | 72.2 | 35% | 0.35 | 39% | 0.392 | S | S | . | . | trans | -88.9 | 99.1 | -176.2 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | S300 T338 | S300-S340 CarbonylContact C-O 3.55Å; T338-S340 VanDerWaalsContact CG2-OG 3.25Å; T338-S340 WeakPolarHBondContact CG2-OG 3.49Å | ||
| 341 | F | 86.1 | Confident | 83.1 | Confident | 18 Ų | 18 | 70 Ų | 70 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | trans | -99.2 | 116.9 | 169.8 | -64.7 | -91.5 | 0 | 0 | 0 | 109.6 | L285 L288 S300 L320 I323 V327 K339 | L285-F341 HydrophobicContact CD2-CE1 4.14Å; L285-F341 HydrophobicContact CD2-CZ 3.81Å; L288-F341 HydrophobicContact CD1-CE1 3.69Å; L288-F341 HydrophobicContact CD1-CZ 4.3Å; S300-F341 WeakPolarHBondContact O-CA 3.34Å; L320-F341 HydrophobicContact CD1-CB 4.05Å; I323-F341 HydrophobicContact CG2-CD1 3.82Å; I323-F341 HydrophobicContact CG2-CD2 4Å; I323-F341 HydrophobicContact CG2-CE1 3.85Å; I323-F341 HydrophobicContact CG2-CE2 4.07Å; I323-F341 HydrophobicContact CG2-CG 3.88Å; I323-F341 HydrophobicContact CG2-CZ 3.98Å; V327-F341 HydrophobicContact CB-CE2 4.42Å; V327-F341 HydrophobicContact CG1-CE2 4.35Å; V327-F341 HydrophobicContact CG2-CD2 4.36Å; V327-F341 HydrophobicContact CG2-CE2 3.37Å; V327-F341 HydrophobicContact CG2-CZ 3.6Å; K339-F341 PolarHBondContact O-N 3.06Å | ||
| 342 | R | 89.3 | Confident | 83.4 | Confident | 123 Ų | 123 | 65.4 Ų | 65.4 | 46% | 0.464 | 36% | 0.357 | S | S | . | . | trans | -117.3 | 129.8 | 172.5 | -46.8 | -177.6 | -71.7 | -137.4 | -3.7 | 109.8 | S300 E301 L303 | S300-R342 PolarHBondContact O-N 3.1Å; E301-R342 VanDerWaalsContact O-CB 3.3Å; E301-R342 WeakPolarHBondContact O-CB 3.05Å; E301-R342 PolarHBondContact O-NE 3.34Å; E301-R342 IonicContact OE2-CZ 2.72Å; E301-R342 IonicContact OE2-NH1 3.48Å; E301-R342 IonicContact OE2-NH2 3.48Å; E301-R342 PolarHBondContact OE2-NH2 3.15Å; L303-R342 WeakPolarHBondContact CB-O 3.48Å; L303-R342 PolarHBondContact N-O 3.01Å | ||
| 343 | L | 89.9 | Confident | 83.8 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.6 | 174.1 | -80.7 | 75.6 | 0 | 0 | 0 | 109 | L303 I305 L316 L320 | L303-L343 HydrophobicContact CD2-CD1 4.07Å; L303-L343 HydrophobicContact CD2-CG 4.21Å; L303-L343 WeakPolarHBondContact O-CA 3.32Å; I305-L343 HydrophobicContact CD1-CD2 3.43Å; I305-L343 VanDerWaalsContact CD1-CD2 3.43Å; I305-L343 HydrophobicContact CD1-CG 4.08Å; L316-L343 HydrophobicContact CB-CD2 4.19Å; L316-L343 HydrophobicContact CD2-CD2 4.16Å; L320-L343 HydrophobicContact CB-CD1 4.2Å; L320-L343 HydrophobicContact CD1-CD1 3.66Å; L320-L343 HydrophobicContact CD2-CD1 4.06Å; L320-L343 HydrophobicContact CG-CD1 4.17Å |
| 344 | H | 88.1 | Confident | 84.2 | Confident | 62 Ų | 62 | 58.4 Ų | 58.4 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122.9 | 169.2 | -69.9 | -92.3 | 0 | 0 | 0 | 109.1 | L131 E301 N302 L303 | L131-H344 HydrophobicContact CD1-CB 4.02Å; L131-H344 HydrophobicContact CD2-CB 4.41Å; E301-H344 PolarHBondContact O-NE2 3.26Å; N302-H344 PolarHBondContact OD1-NE2 3.16Å; L303-H344 PolarHBondContact O-N 3.31Å |
| 345 | S | 85.8 | Confident | 84.8 | Confident | 95 Ų | 95 | 52.3 Ų | 52.3 | 66% | 0.664 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 124.1 | 173.5 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 346 | P | 85.8 | Confident | 85.5 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 156.7 | 175.2 | 27.3 | -32.3 | 0 | 0 | 0 | 111.8 | L131 A348 T353 | L131-P346 HydrophobicContact CD2-CB 4.43Å; P346-A348 VanDerWaalsContact C-N 3.29Å; P346-A348 PolarHBondContact O-N 2.87Å; P346-T353 HydrophobicContact CB-CG2 3.51Å; P346-T353 WeakPolarHBondContact CB-OG1 3.49Å; P346-T353 HydrophobicContact CG-CG2 4.01Å; P346-T353 VanDerWaalsContact CG-OG1 3.27Å; P346-T353 WeakPolarHBondContact CG-OG1 3.44Å |
| 347 | P | 85.6 | Confident | 86.1 | Confident | 101 Ų | 101 | 51 Ų | 51 | 66% | 0.656 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -68.1 | -29.5 | 178.3 | 26.4 | -34 | 0 | 0 | 0 | 112.7 | L356 | P347-L356 HydrophobicContact CG-CD2 3.8Š|
| 348 | A | 88.2 | Confident | 87.3 | Confident | 23 Ų | 23 | 45.9 Ų | 45.9 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -93.2 | 170.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P346 C352 L356 | P346-A348 VanDerWaalsContact C-N 3.29Å; P346-A348 PolarHBondContact O-N 2.87Å; A348-C352 HydrophobicContact CB-CB 4.46Å; A348-L356 HydrophobicContact CB-CB 4.34Å; A348-L356 HydrophobicContact CB-CD2 3.72Å |
| 349 | K | 90.5 | Very high | 88.4 | Confident | 144 Ų | 144 | 44.3 Ų | 44.3 | 63% | 0.626 | 24% | 0.236 | S | C | * | . | trans | -58 | 145.3 | 168.7 | -63.3 | -63.6 | -175.6 | 179.6 | 0 | 110 | M311 N351 C352 T353 | M311-K349 HydrophobicContact CE-CB 4.45Å; K349-N351 PolarHBondContact O-N 3.37Å; K349-N351 VanDerWaalsContact O-N 3.11Å; K349-C352 PolarHBondContact O-N 2.93Å; K349-T353 PolarHBondContact O-N 2.99Å; K349-T353 PolarHBondContact O-OG1 3.45Å | ||
| 350 | P | 89.9 | Confident | 89.5 | Confident | 29 Ų | 29 | 41 Ų | 41 | 19% | 0.188 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -51.4 | -39.3 | -177.8 | -30 | 35.4 | 0 | 0 | 0 | 114.1 | G307 A310 M311 C352 T353 | G307-P350 PolarHBondContact N-O 3.06Å; A310-P350 HydrophobicContact CB-CB 4.36Å; M311-P350 HydrophobicContact CG-CB 4.33Å; M311-P350 HydrophobicContact CG-CG 4.4Å; P350-C352 VanDerWaalsContact C-N 3.33Å; P350-C352 PolarHBondContact O-N 3.27Å; P350-T353 PolarHBondContact O-N 3.18Å; P350-T353 PolarHBondContact O-OG1 3.45Å |
| 351 | N | 90.9 | Very high | 89.9 | Confident | 43 Ų | 43 | 39.6 Ų | 39.6 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -63.3 | -34.1 | 176.7 | -174.3 | 25.4 | 0 | 0 | 0 | 113 | K26 G307 M311 K349 | K26-N351 VanDerWaalsContact CE-CG 3.5Å; K26-N351 WeakPolarHBondContact CE-O 3.48Å; K26-N351 WeakPolarHBondContact CE-OD1 2.86Å; K26-N351 PolarHBondContact NZ-OD1 3.37Å; G307-N351 PolarHBondContact O-N 3.43Å; M311-N351 HydrophobicContact CG-CB 4.33Å; M311-N351 HydrophobicContact SD-CB 3.39Å; M311-N351 WeakPolarHBondContact SD-CB 3.36Å; K349-N351 PolarHBondContact O-N 3.37Å; K349-N351 VanDerWaalsContact O-N 3.11Å |
| 352 | C | 91.8 | Very high | 89.8 | Confident | 16 Ų | 16 | 39 Ų | 39 | 11% | 0.108 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -96.4 | 3.2 | -176.8 | -62.3 | 0 | 0 | 0 | 0 | 113.7 | P35 A348 K349 P350 W355 L356 | P35-C352 HydrophobicContact CG-CB 4.46Å; A348-C352 HydrophobicContact CB-CB 4.46Å; K349-C352 PolarHBondContact O-N 2.93Å; P350-C352 VanDerWaalsContact C-N 3.33Å; P350-C352 PolarHBondContact O-N 3.27Å; C352-W355 PolarHBondContact O-N 3.14Å; C352-L356 PolarHBondContact O-N 3.44Å |
| 353 | T | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.3 | -42.2 | -171.7 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | S130 I306 P346 K349 P350 W355 L356 G357 | S130-T353 WeakPolarHBondContact OG-CG2 3.05Å; I306-T353 HydrophobicContact CG2-CG2 3.86Å; P346-T353 HydrophobicContact CB-CG2 3.51Å; P346-T353 WeakPolarHBondContact CB-OG1 3.49Å; P346-T353 HydrophobicContact CG-CG2 4.01Å; P346-T353 VanDerWaalsContact CG-OG1 3.27Å; P346-T353 WeakPolarHBondContact CG-OG1 3.44Å; K349-T353 PolarHBondContact O-N 2.99Å; K349-T353 PolarHBondContact O-OG1 3.45Å; P350-T353 PolarHBondContact O-N 3.18Å; P350-T353 PolarHBondContact O-OG1 3.45Å; T353-W355 VanDerWaalsContact C-N 3.35Å; T353-W355 PolarHBondContact O-N 3.21Å; T353-L356 PolarHBondContact O-N 2.93Å; T353-G357 PolarHBondContact O-N 3.29Å |
| 354 | A | 92.4 | Very high | 89.2 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 5% | 0.05 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.2 | -45.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I92 S123 M126 S127 G357 G358 | I92-A354 WeakPolarHBondContact CD1-O 3.44Å; I92-A354 HydrophobicContact CG2-CB 4.31Å; S123-A354 VanDerWaalsContact OG-CB 3.26Å; S123-A354 WeakPolarHBondContact OG-CB 3.41Å; M126-A354 WeakPolarHBondContact CB-O 3.42Å; S127-A354 WeakPolarHBondContact OG-CA 3.4Å; A354-G357 PolarHBondContact O-N 3.03Å; A354-G358 PolarHBondContact O-N 2.99Å |
| 355 | W | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 175.8 | -172.1 | 91.2 | 0 | 0 | 0 | 112.8 | V17 D19 K26 E32 G34 P35 I92 C352 T353 G357 G358 A359 | V17-W355 HydrophobicContact CB-CZ2 4.21Å; V17-W355 HydrophobicContact CG1-CG 4.48Å; V17-W355 PolarHBondContact O-NE1 3Å; V17-W355 VanDerWaalsContact O-NE1 3.16Å; D19-W355 HydrophobicContact CB-CB 4.29Å; K26-W355 HydrophobicContact CB-CB 4.46Å; K26-W355 HydrophobicContact CB-CG 4.17Å; K26-W355 HydrophobicContact CD-CB 4.24Å; E32-W355 HydrophobicContact CB-CH2 4.18Å; G34-W355 VanDerWaalsContact C-CH2 3.4Å; G34-W355 VanDerWaalsContact CA-CZ3 3.46Å; G34-W355 VanDerWaalsContact O-CH2 3.22Å; G34-W355 WeakPolarHBondContact O-CH2 3.32Å; G34-W355 VanDerWaalsContact O-CZ3 3.31Å; G34-W355 WeakPolarHBondContact O-CZ3 3.4Å; P35-W355 HydrophobicContact CB-CD2 3.72Å; P35-W355 HydrophobicContact CB-CE3 4.04Å; P35-W355 HydrophobicContact CB-CG 4.17Å; P35-W355 HydrophobicContact CB-CH2 4.45Å; P35-W355 HydrophobicContact CB-CZ2 4.16Å; P35-W355 HydrophobicContact CB-CZ3 4.42Å; P35-W355 HydrophobicContact CG-CD2 4.27Å; P35-W355 HydrophobicContact CG-CE3 4.29Å; I92-W355 HydrophobicContact CD1-CB 4.42Å; C352-W355 PolarHBondContact O-N 3.14Å; T353-W355 VanDerWaalsContact C-N 3.35Å; T353-W355 PolarHBondContact O-N 3.21Å; W355-G357 VanDerWaalsContact C-N 3.3Å; W355-G357 PolarHBondContact O-N 3.36Å; W355-G358 CarbonylContact O-C 3.51Å; W355-G358 PolarHBondContact O-N 2.86Å; W355-G358 VanDerWaalsContact O-N 3.13Å; W355-A359 HydrophobicContact CE3-CB 4.16Å; W355-A359 HydrophobicContact CH2-CB 3.82Å; W355-A359 HydrophobicContact CZ2-CB 4.41Å; W355-A359 HydrophobicContact CZ3-CB 3.65Å; W355-A359 PolarHBondContact O-N 3.06Å |
| 356 | L | 93.4 | Very high | 86.8 | Confident | 18 Ų | 18 | 41.8 Ų | 41.8 | 9% | 0.094 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 177.8 | 176.4 | 62.7 | 0 | 0 | 0 | 111.4 | P347 A348 C352 T353 G358 A359 I360 | P347-L356 HydrophobicContact CG-CD2 3.8Å; A348-L356 HydrophobicContact CB-CB 4.34Å; A348-L356 HydrophobicContact CB-CD2 3.72Å; C352-L356 PolarHBondContact O-N 3.44Å; T353-L356 PolarHBondContact O-N 2.93Å; L356-G358 VanDerWaalsContact C-N 3.31Å; L356-G358 PolarHBondContact O-N 3.39Å; L356-A359 WeakPolarHBondContact O-CB 3.28Å; L356-A359 PolarHBondContact O-N 3.16Å; L356-A359 VanDerWaalsContact O-N 3.12Å; L356-I360 HydrophobicContact CD1-CD1 4.36Å; L356-I360 HydrophobicContact CD1-CG1 4.45Å; L356-I360 HydrophobicContact CG-CD1 4.15Å; L356-I360 WeakPolarHBondContact O-CG1 3.29Å; L356-I360 PolarHBondContact O-N 2.98Å |
| 357 | G | 91.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.2 | -45.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M126 T353 A354 W355 I360 F361 | M126-G357 WeakPolarHBondContact O-CA 3.25Å; T353-G357 PolarHBondContact O-N 3.29Å; A354-G357 PolarHBondContact O-N 3.03Å; W355-G357 VanDerWaalsContact C-N 3.3Å; W355-G357 PolarHBondContact O-N 3.36Å; G357-I360 PolarHBondContact O-N 2.98Å; G357-F361 VanDerWaalsContact O-CB 3.28Å; G357-F361 WeakPolarHBondContact O-CB 3.48Å; G357-F361 PolarHBondContact O-N 3.27Å |
| 358 | G | 90.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.8 | -34 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L90 A354 W355 L356 I360 F361 G362 | L90-G358 WeakPolarHBondContact CD2-O 3.49Å; A354-G358 PolarHBondContact O-N 2.99Å; W355-G358 CarbonylContact O-C 3.51Å; W355-G358 PolarHBondContact O-N 2.86Å; W355-G358 VanDerWaalsContact O-N 3.13Å; L356-G358 VanDerWaalsContact C-N 3.31Å; L356-G358 PolarHBondContact O-N 3.39Å; G358-I360 VanDerWaalsContact C-N 3.35Å; G358-F361 PolarHBondContact O-N 3.06Å; G358-G362 PolarHBondContact O-N 3.17Å |
| 359 | A | 91.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G31 W355 L356 A363 | G31-A359 PolarHBondContact N-O 2.84Å; W355-A359 HydrophobicContact CE3-CB 4.16Å; W355-A359 HydrophobicContact CH2-CB 3.82Å; W355-A359 HydrophobicContact CZ2-CB 4.41Å; W355-A359 HydrophobicContact CZ3-CB 3.65Å; W355-A359 PolarHBondContact O-N 3.06Å; L356-A359 WeakPolarHBondContact O-CB 3.28Å; L356-A359 PolarHBondContact O-N 3.16Å; L356-A359 VanDerWaalsContact O-N 3.12Å; A359-A363 WeakPolarHBondContact O-CB 3.33Å; A359-A363 PolarHBondContact O-N 2.62Å |
| 360 | I | 90.4 | Very high | 82.4 | Confident | 63 Ų | 63 | 34.4 Ų | 34.4 | 32% | 0.323 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.3 | -48.9 | 172.4 | -64.8 | 164.6 | 0 | 0 | 0 | 109.6 | L356 G357 G358 G362 A363 L364 | L356-I360 HydrophobicContact CD1-CD1 4.36Å; L356-I360 HydrophobicContact CD1-CG1 4.45Å; L356-I360 HydrophobicContact CG-CD1 4.15Å; L356-I360 WeakPolarHBondContact O-CG1 3.29Å; L356-I360 PolarHBondContact O-N 2.98Å; G357-I360 PolarHBondContact O-N 2.98Å; G358-I360 VanDerWaalsContact C-N 3.35Å; I360-G362 VanDerWaalsContact C-N 3.32Å; I360-G362 PolarHBondContact O-N 3.47Å; I360-A363 WeakPolarHBondContact O-CB 3.08Å; I360-A363 PolarHBondContact O-N 3.23Å; I360-L364 WeakPolarHBondContact O-CG 3.42Å; I360-L364 PolarHBondContact O-N 2.87Å |
| 361 | F | 87.8 | Confident | 81.8 | Confident | 20 Ų | 20 | 41.3 Ų | 41.3 | 9% | 0.088 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | -178.7 | -167.2 | -89 | 0 | 0 | 0 | 112.6 | L90 L119 M126 M129 G357 G358 A363 L364 I367 | L90-F361 HydrophobicContact CD1-CD1 4.4Å; L90-F361 HydrophobicContact CD2-CD1 4.49Å; L119-F361 HydrophobicContact CD2-CD1 4.17Å; L119-F361 HydrophobicContact CD2-CE1 3.53Å; M126-F361 HydrophobicContact CE-CB 4.45Å; M126-F361 HydrophobicContact CE-CD2 3.74Å; M126-F361 HydrophobicContact CE-CE2 4.04Å; M126-F361 HydrophobicContact CE-CG 4.03Å; M126-F361 HydrophobicContact SD-CB 3.69Å; M126-F361 HydrophobicContact SD-CD1 4.39Å; M126-F361 HydrophobicContact SD-CD2 4.11Å; M126-F361 HydrophobicContact SD-CG 3.81Å; M129-F361 HydrophobicContact CE-CD2 4.44Å; G357-F361 VanDerWaalsContact O-CB 3.28Å; G357-F361 WeakPolarHBondContact O-CB 3.48Å; G357-F361 PolarHBondContact O-N 3.27Å; G358-F361 PolarHBondContact O-N 3.06Å; F361-A363 VanDerWaalsContact C-N 3.3Å; F361-A363 PolarHBondContact O-N 2.98Å; F361-L364 PolarHBondContact O-N 3.25Å; F361-I367 HydrophobicContact CD1-CG2 4.43Å; F361-I367 HydrophobicContact CD2-CD1 4.5Å; F361-I367 HydrophobicContact CE1-CB 4.39Å; F361-I367 HydrophobicContact CE1-CG2 3.47Å; F361-I367 VanDerWaalsContact CE1-CG2 3.47Å; F361-I367 HydrophobicContact CE2-CD1 4.2Å; F361-I367 HydrophobicContact CE2-CG2 3.95Å; F361-I367 HydrophobicContact CZ-CB 4.37Å; F361-I367 HydrophobicContact CZ-CG2 3.22Å |
| 362 | G | 84.9 | Confident | 81.4 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -74.6 | -17 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A30 G358 I360 L368 | A30-G362 VanDerWaalsContact CB-C 3.5Å; G358-G362 PolarHBondContact O-N 3.17Å; I360-G362 VanDerWaalsContact C-N 3.32Å; I360-G362 PolarHBondContact O-N 3.47Å; G362-L368 WeakPolarHBondContact O-CD1 3.32Å |
| 363 | A | 85.3 | Confident | 81.2 | Confident | 50 Ų | 50 | 39.9 Ų | 39.9 | 41% | 0.413 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -80.6 | -21.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | A359 I360 F361 Q365 | A359-A363 WeakPolarHBondContact O-CB 3.33Å; A359-A363 PolarHBondContact O-N 2.62Å; I360-A363 WeakPolarHBondContact O-CB 3.08Å; I360-A363 PolarHBondContact O-N 3.23Å; F361-A363 VanDerWaalsContact C-N 3.3Å; F361-A363 PolarHBondContact O-N 2.98Å; A363-Q365 PolarHBondContact O-N 3.26Å; A363-Q365 VanDerWaalsContact O-N 3.17Å |
| 364 | L | 81.4 | Confident | 81 | Confident | 77 Ų | 77 | 42 Ų | 42 | 40% | 0.403 | 23% | 0.234 | S | C | . | . | trans | -76.2 | 101.7 | 177.7 | -62.2 | 170.4 | 0 | 0 | 0 | 109.7 | I360 F361 D366 I367 | I360-L364 WeakPolarHBondContact O-CG 3.42Å; I360-L364 PolarHBondContact O-N 2.87Å; F361-L364 PolarHBondContact O-N 3.25Å; L364-D366 VanDerWaalsContact C-N 3.33Å; L364-D366 PolarHBondContact O-N 3.25Å; L364-I367 HydrophobicContact CB-CD1 3.79Å; L364-I367 HydrophobicContact CB-CG1 4.15Å; L364-I367 HydrophobicContact CD1-CD1 3.67Å; L364-I367 HydrophobicContact CG-CD1 4.38Å; L364-I367 PolarHBondContact O-N 2.85Å | ||
| 365 | Q | 61.3 | Low | 80.8 | Confident | 116 Ų | 116 | 46 Ų | 46 | 54% | 0.542 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.2 | -38.3 | -170.3 | -71.3 | -177.6 | -24.6 | 0 | 0 | 113.8 | S9 A363 I367 G369 | S9-Q365 PolarHBondContact O-NE2 2.78Å; A363-Q365 PolarHBondContact O-N 3.26Å; A363-Q365 VanDerWaalsContact O-N 3.17Å; Q365-I367 VanDerWaalsContact C-N 3.28Å; Q365-I367 PolarHBondContact O-N 3.25Å; Q365-G369 PolarHBondContact O-N 2.79Å |
| 366 | D | 62.9 | Low | 80.4 | Confident | 143 Ų | 143 | 50.6 Ų | 50.6 | 77% | 0.765 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.8 | -31.6 | -177.1 | -63.9 | -28.8 | 0 | 0 | 0 | 112.8 | L364 S370 | L364-D366 VanDerWaalsContact C-N 3.33Å; L364-D366 PolarHBondContact O-N 3.25Å; D366-S370 PolarHBondContact O-N 3.46Å; D366-S370 PolarHBondContact O-OG 3.37Å |
| 367 | I | 64.3 | Low | 80.1 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -83.5 | -41 | -169 | -52.6 | 176.7 | 0 | 0 | 0 | 111.3 | F361 L364 Q365 G369 S370 R371 | F361-I367 HydrophobicContact CD1-CG2 4.43Å; F361-I367 HydrophobicContact CD2-CD1 4.5Å; F361-I367 HydrophobicContact CE1-CB 4.39Å; F361-I367 HydrophobicContact CE1-CG2 3.47Å; F361-I367 VanDerWaalsContact CE1-CG2 3.47Å; F361-I367 HydrophobicContact CE2-CD1 4.2Å; F361-I367 HydrophobicContact CE2-CG2 3.95Å; F361-I367 HydrophobicContact CZ-CB 4.37Å; F361-I367 HydrophobicContact CZ-CG2 3.22Å; L364-I367 HydrophobicContact CB-CD1 3.79Å; L364-I367 HydrophobicContact CB-CG1 4.15Å; L364-I367 HydrophobicContact CD1-CD1 3.67Å; L364-I367 HydrophobicContact CG-CD1 4.38Å; L364-I367 PolarHBondContact O-N 2.85Å; Q365-I367 VanDerWaalsContact C-N 3.28Å; Q365-I367 PolarHBondContact O-N 3.25Å; I367-G369 VanDerWaalsContact C-N 3.27Å; I367-G369 PolarHBondContact O-N 3.34Å; I367-S370 PolarHBondContact O-N 3Å; I367-R371 HydrophobicContact CG2-CG 4.34Å; I367-R371 WeakPolarHBondContact O-CB 3.46Å; I367-R371 PolarHBondContact O-N 3.31Å; I367-R371 VanDerWaalsContact O-N 3.07Å |
| 368 | L | 61.5 | Low | 79.9 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -31 | 176.2 | -70.9 | -172.6 | 0 | 0 | 0 | 112 | A15 L119 G362 S372 | A15-L368 HydrophobicContact CB-CD1 3.66Å; L119-L368 HydrophobicContact CD2-CD2 3.82Å; G362-L368 WeakPolarHBondContact O-CD1 3.32Å; L368-S372 WeakPolarHBondContact O-CB 3.33Å; L368-S372 PolarHBondContact O-OG 2.73Å |
| 369 | G | 62.2 | Low | 79.8 | Confident | 48 Ų | 48 | 56.1 Ų | 56.1 | 50% | 0.495 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q365 I367 | Q365-G369 PolarHBondContact O-N 2.79Å; I367-G369 VanDerWaalsContact C-N 3.27Å; I367-G369 PolarHBondContact O-N 3.34Å |
| 370 | S | 68.7 | Low | 79.6 | Confident | 39 Ų | 39 | 64 Ų | 64 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -94.4 | -31 | -171.1 | 72.3 | 0 | 0 | 0 | 0 | 114.6 | D366 I367 S397 | D366-S370 PolarHBondContact O-N 3.46Å; D366-S370 PolarHBondContact O-OG 3.37Å; I367-S370 PolarHBondContact O-N 3Å; S370-S397 PolarHBondContact O-OG 3.23Å |
| 371 | R | 76.9 | Confident | 79.2 | Confident | 174 Ų | 174 | 64.2 Ų | 64.2 | 66% | 0.657 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -104.7 | -14.8 | -172.8 | -60.7 | -167.6 | -180 | -169.2 | -0.6 | 114.6 | I367 | I367-R371 HydrophobicContact CG2-CG 4.34Å; I367-R371 WeakPolarHBondContact O-CB 3.46Å; I367-R371 PolarHBondContact O-N 3.31Å; I367-R371 VanDerWaalsContact O-N 3.07Å |
| 372 | S | 83.3 | Confident | 78.9 | Confident | 17 Ų | 17 | 65.2 Ų | 65.2 | 12% | 0.119 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -74.5 | 151 | 178.4 | 71.9 | 0 | 0 | 0 | 0 | 111.6 | S117 L368 | S117-S372 WeakPolarHBondContact CB-OG 3.4Å; L368-S372 WeakPolarHBondContact O-CB 3.33Å; L368-S372 PolarHBondContact O-OG 2.73Å |
| 373 | V | 86.6 | Confident | 78.5 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.2 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | S117 V118 Y377 I384 | S117-V373 CarbonylContact C-O 3.53Å; S117-V373 VanDerWaalsContact CA-O 3.24Å; S117-V373 WeakPolarHBondContact CA-O 3.42Å; V118-V373 PolarHBondContact N-O 2.82Å; V118-V373 PolarHBondContact O-N 2.83Å; V373-Y377 HydrophobicContact CG1-CD1 3.63Å; V373-Y377 HydrophobicContact CG1-CE1 4.41Å; V373-Y377 HydrophobicContact CG1-CG 4.34Å; V373-I384 HydrophobicContact CB-CD1 4.37Å; V373-I384 HydrophobicContact CB-CG1 4.47Å; V373-I384 HydrophobicContact CG1-CD1 4.42Å; V373-I384 HydrophobicContact CG1-CG1 4.15Å; V373-I384 HydrophobicContact CG2-CG1 4.41Å; V373-I384 HydrophobicContact CG2-CG2 4.41Å |
| 374 | S | 89.6 | Confident | 78.2 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 157.2 | 176.3 | 72.1 | 0 | 0 | 0 | 0 | 111.7 | D376 Y377 Y378 | S374-D376 VanDerWaalsContact C-N 3.25Å; S374-D376 PolarHBondContact O-N 3.15Å; S374-Y377 PolarHBondContact O-N 3.47Å; S374-Y377 WeakPolarHBondContact OG-CB 3.32Å; S374-Y377 PolarHBondContact OG-N 2.93Å; S374-Y378 PolarHBondContact O-N 3.19Å; S374-Y378 VanDerWaalsContact O-N 3.09Å |
| 375 | R | 87.1 | Confident | 77.9 | Confident | 89 Ų | 89 | 69.4 Ų | 69.4 | 34% | 0.336 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.6 | -38.1 | 174.6 | -172.6 | -180 | 69.4 | 174.4 | 1 | 112.7 | F110 E114 P116 Y378 N379 | F110-R375 HydrophobicContact CD1-CB 3.72Å; F110-R375 HydrophobicContact CD1-CG 3.77Å; F110-R375 VanDerWaalsContact CE1-CA 3.46Å; F110-R375 HydrophobicContact CE1-CB 3.78Å; F110-R375 HydrophobicContact CE1-CG 4.34Å; F110-R375 HydrophobicContact CG-CG 4.45Å; E114-R375 IonicContact OE2-NH1 3.7Å; P116-R375 PolarHBondContact O-N 2.86Å; P116-R375 VanDerWaalsContact O-N 3.1Å; R375-Y378 PolarHBondContact O-N 2.85Å; R375-N379 PolarHBondContact O-N 2.86Å; R375-N379 PolarHBondContact O-ND2 3.03Å |
| 376 | D | 87.7 | Confident | 78.5 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | -177.9 | -60.2 | -27.2 | 0 | 0 | 0 | 111.1 | S374 Y378 N379 Q380 | S374-D376 VanDerWaalsContact C-N 3.25Å; S374-D376 PolarHBondContact O-N 3.15Å; D376-Y378 VanDerWaalsContact C-N 3.33Å; D376-Y378 PolarHBondContact O-N 2.82Å; D376-N379 PolarHBondContact O-N 3.36Å; D376-Q380 WeakPolarHBondContact O-CG 3.48Å; D376-Q380 PolarHBondContact O-N 2.84Å |
| 377 | Y | 86.4 | Confident | 79 | Confident | 37 Ų | 37 | 63 Ų | 63 | 15% | 0.145 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 171.9 | -176.2 | -89.9 | 0 | 0 | 0 | 111.2 | V373 S374 N379 Q380 T381 P393 P395 | V373-Y377 HydrophobicContact CG1-CD1 3.63Å; V373-Y377 HydrophobicContact CG1-CE1 4.41Å; V373-Y377 HydrophobicContact CG1-CG 4.34Å; S374-Y377 PolarHBondContact O-N 3.47Å; S374-Y377 WeakPolarHBondContact OG-CB 3.32Å; S374-Y377 PolarHBondContact OG-N 2.93Å; Y377-N379 PolarHBondContact O-N 2.79Å; Y377-Q380 PolarHBondContact O-N 3.41Å; Y377-T381 HydrophobicContact CD1-CG2 4.41Å; Y377-T381 WeakPolarHBondContact CD1-OG1 3.25Å; Y377-T381 HydrophobicContact CE1-CG2 3.87Å; Y377-T381 WeakPolarHBondContact CE1-OG1 3.34Å; Y377-T381 HydrophobicContact CE2-CG2 4.11Å; Y377-T381 PolarHBondContact O-N 2.94Å; Y377-T381 PolarHBondContact O-OG1 3.34Å; Y377-P393 PolarHBondContact OH-O 3.34Å; Y377-P393 VanDerWaalsContact OH-O 3.07Å; Y377-P395 HydrophobicContact CD2-CB 4.19Å; Y377-P395 HydrophobicContact CD2-CG 4.3Å; Y377-P395 HydrophobicContact CE1-CG 4.38Å; Y377-P395 HydrophobicContact CE2-CB 3.89Å; Y377-P395 HydrophobicContact CE2-CG 3.86Å |
| 378 | Y | 87.4 | Confident | 78.6 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 179.2 | -178.1 | -103.9 | 0 | 0 | 0 | 113.1 | T106 K107 F110 S374 R375 D376 Q380 G382 I384 | T106-Y378 HydrophobicContact CG2-CD2 3.77Å; T106-Y378 HydrophobicContact CG2-CE1 4.48Å; T106-Y378 HydrophobicContact CG2-CE2 3.43Å; T106-Y378 VanDerWaalsContact CG2-CE2 3.43Å; T106-Y378 HydrophobicContact CG2-CG 4.43Å; K107-Y378 WeakPolarHBondContact CG-OH 3.47Å; F110-Y378 HydrophobicContact CB-CD1 3.82Å; F110-Y378 HydrophobicContact CB-CE1 4.08Å; F110-Y378 AromaticContact CD2-CD1 3.38Å; F110-Y378 HydrophobicContact CD2-CD1 3.38Å; F110-Y378 AromaticContact CD2-CD2 3.97Å; F110-Y378 HydrophobicContact CD2-CD2 3.97Å; F110-Y378 AromaticContact CD2-CE1 3.94Å; F110-Y378 HydrophobicContact CD2-CE1 3.94Å; F110-Y378 HydrophobicContact CD2-CE2 4.47Å; F110-Y378 AromaticContact CD2-CG 3.39Å; F110-Y378 HydrophobicContact CD2-CG 3.39Å; F110-Y378 HydrophobicContact CE2-CD1 4.15Å; F110-Y378 HydrophobicContact CE2-CD2 4.09Å; F110-Y378 AromaticContact CE2-CG 3.68Å; F110-Y378 HydrophobicContact CE2-CG 3.68Å; F110-Y378 AromaticContact CG-CD1 3.86Å; F110-Y378 HydrophobicContact CG-CD1 3.86Å; F110-Y378 HydrophobicContact CG-CE1 4.44Å; F110-Y378 HydrophobicContact CG-CG 4.22Å; S374-Y378 PolarHBondContact O-N 3.19Å; S374-Y378 VanDerWaalsContact O-N 3.09Å; R375-Y378 PolarHBondContact O-N 2.85Å; D376-Y378 VanDerWaalsContact C-N 3.33Å; D376-Y378 PolarHBondContact O-N 2.82Å; Y378-Q380 VanDerWaalsContact C-N 3.27Å; Y378-Q380 PolarHBondContact O-N 3.35Å; Y378-G382 VanDerWaalsContact O-CA 3.24Å; Y378-G382 WeakPolarHBondContact O-CA 3.41Å; Y378-G382 PolarHBondContact O-N 3.06Å; Y378-I384 HydrophobicContact CD2-CG1 4.17Å |
| 379 | N | 87.8 | Confident | 78.4 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.6 | -27.6 | 176.3 | -76.3 | -32.3 | 0 | 0 | 0 | 112.7 | K111 R375 D376 Y377 | K111-N379 PolarHBondContact NZ-OD1 3.3Å; R375-N379 PolarHBondContact O-N 2.86Å; R375-N379 PolarHBondContact O-ND2 3.03Å; D376-N379 PolarHBondContact O-N 3.36Å; Y377-N379 PolarHBondContact O-N 2.79Å |
| 380 | Q | 88 | Confident | 77.9 | Confident | 165 Ų | 165 | 74.1 Ų | 74.1 | 77% | 0.771 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -83.1 | -44.6 | 177.6 | -66.8 | 172.7 | 20.7 | 0 | 0 | 112.6 | D376 Y377 Y378 | D376-Q380 WeakPolarHBondContact O-CG 3.48Å; D376-Q380 PolarHBondContact O-N 2.84Å; Y377-Q380 PolarHBondContact O-N 3.41Å; Y378-Q380 VanDerWaalsContact C-N 3.27Å; Y378-Q380 PolarHBondContact O-N 3.35Å |
| 381 | T | 83 | Confident | 76.8 | Confident | 67 Ų | 67 | 77.6 Ų | 77.6 | 41% | 0.411 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -91.1 | -25.9 | -174.9 | 48.1 | 0 | 0 | 0 | 0 | 113.8 | Y377 R383 | Y377-T381 HydrophobicContact CD1-CG2 4.41Å; Y377-T381 WeakPolarHBondContact CD1-OG1 3.25Å; Y377-T381 HydrophobicContact CE1-CG2 3.87Å; Y377-T381 WeakPolarHBondContact CE1-OG1 3.34Å; Y377-T381 HydrophobicContact CE2-CG2 4.11Å; Y377-T381 PolarHBondContact O-N 2.94Å; Y377-T381 PolarHBondContact O-OG1 3.34Å; T381-R383 PolarHBondContact O-N 3.49Å; T381-R383 VanDerWaalsContact O-N 3.15Å; T381-R383 PolarHBondContact OG1-O 2.9Å |
| 382 | G | 79.6 | Confident | 75.4 | Confident | 41 Ų | 41 | 71.2 Ų | 71.2 | 42% | 0.423 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 70.8 | -1.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y378 | Y378-G382 VanDerWaalsContact O-CA 3.24Å; Y378-G382 WeakPolarHBondContact O-CA 3.41Å; Y378-G382 PolarHBondContact O-N 3.06Å |
| 383 | R | 77.1 | Confident | 73.6 | Confident | 167 Ų | 167 | 75 Ų | 75 | 63% | 0.63 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -146.3 | 156 | -180 | -71.5 | -167.9 | -179.3 | -178 | -1.4 | 112.1 | E103 T381 | E103-R383 WeakPolarHBondContact OE1-CD 3.47Å; E103-R383 IonicContact OE1-CZ 2.76Å; E103-R383 IonicContact OE1-NE 3.03Å; E103-R383 PolarHBondContact OE1-NE 3.06Å; E103-R383 IonicContact OE1-NH1 2.68Å; T381-R383 PolarHBondContact O-N 3.49Å; T381-R383 VanDerWaalsContact O-N 3.15Å; T381-R383 PolarHBondContact OG1-O 2.9Å |
| 384 | I | 79.1 | Confident | 71.9 | Confident | 18 Ų | 18 | 78.6 Ų | 78.6 | 9% | 0.092 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -97.9 | 140 | 172.2 | -74.3 | -174 | 0 | 0 | 0 | 109.4 | T106 F110 F120 V373 Y378 D386 | T106-I384 HydrophobicContact CG2-CD1 3.26Å; T106-I384 HydrophobicContact CG2-CG1 3.79Å; T106-I384 WeakPolarHBondContact OG1-CD1 3.12Å; F110-I384 HydrophobicContact CE2-CD1 4.2Å; F120-I384 HydrophobicContact CD2-CD1 4.2Å; F120-I384 HydrophobicContact CD2-CG2 4.14Å; F120-I384 HydrophobicContact CE2-CD1 3.59Å; F120-I384 HydrophobicContact CE2-CG2 4.33Å; V373-I384 HydrophobicContact CB-CD1 4.37Å; V373-I384 HydrophobicContact CB-CG1 4.47Å; V373-I384 HydrophobicContact CG1-CD1 4.42Å; V373-I384 HydrophobicContact CG1-CG1 4.15Å; V373-I384 HydrophobicContact CG2-CG1 4.41Å; V373-I384 HydrophobicContact CG2-CG2 4.41Å; Y378-I384 HydrophobicContact CD2-CG1 4.17Å; I384-D386 PolarHBondContact O-N 2.58Å |
| 385 | P | 74.8 | Confident | 70.1 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 24% | 0.24 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 128.1 | 175.4 | 25.2 | -34.7 | 0 | 0 | 0 | 110.8 | ||
| 386 | D | 75.5 | Confident | 68.1 | Low | 17 Ų | 17 | 81 Ų | 81 | 9% | 0.091 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 151.4 | 169.9 | -156.8 | -23 | 0 | 0 | 0 | 110.4 | S99 R102 I384 C388 C389 | S99-D386 WeakPolarHBondContact CB-OD2 3.24Å; S99-D386 PolarHBondContact OG-OD2 2.9Å; R102-D386 IonicContact CZ-OD1 3.37Å; R102-D386 IonicContact CZ-OD2 2.8Å; R102-D386 IonicContact NH1-OD1 3.15Å; R102-D386 PolarHBondContact NH1-OD1 3Å; R102-D386 IonicContact NH1-OD2 2.77Å; R102-D386 PolarHBondContact NH1-OD2 3.41Å; R102-D386 IonicContact NH2-OD1 2.78Å; R102-D386 PolarHBondContact NH2-OD1 2.7Å; R102-D386 IonicContact NH2-OD2 3.26Å; R102-D386 PolarHBondContact NH2-OD2 3.3Å; I384-D386 PolarHBondContact O-N 2.58Å; D386-C388 PolarHBondContact O-N 3Å; D386-C388 PolarHBondContact OD1-N 2.88Å; D386-C389 HydrophobicContact CB-CB 3.74Å; D386-C389 PolarHBondContact O-N 3.17Å |
| 387 | W | 71.5 | Confident | 66.2 | Low | 107 Ų | 107 | 79 Ų | 79 | 41% | 0.405 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -35.4 | 163.6 | -45.4 | 105.1 | 0 | 0 | 0 | 111.7 | P122 | P122-W387 HydrophobicContact CG-CH2 4.13Å; P122-W387 HydrophobicContact CG-CZ2 4.2Å |
| 388 | C | 57.2 | Low | 64.3 | Low | 104 Ų | 104 | 80 Ų | 80 | 70% | 0.703 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -12 | -179.7 | -60.4 | 0 | 0 | 0 | 0 | 114.1 | D386 | D386-C388 PolarHBondContact O-N 3Å; D386-C388 PolarHBondContact OD1-N 2.88Å |
| 389 | C | 56.5 | Low | 62.3 | Low | 58 Ų | 58 | 86.4 Ų | 86.4 | 39% | 0.392 | 47% | 0.469 | S | S | . | . | trans | -105.2 | 76.3 | -175.8 | -70.2 | 0 | 0 | 0 | 0 | 110.9 | D386 S391 S392 | D386-C389 HydrophobicContact CB-CB 3.74Å; D386-C389 PolarHBondContact O-N 3.17Å; C389-S391 PolarHBondContact O-N 3.03Å; C389-S391 VanDerWaalsContact O-N 3.09Å; C389-S392 PolarHBondContact O-N 2.96Å; C389-S392 PolarHBondContact O-OG 3.43Å | ||
| 390 | L | 52.7 | Low | 60.1 | Low | 169 Ų | 169 | 86.4 Ų | 86.4 | 89% | 0.885 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -10.1 | 172.7 | -66.2 | 169.1 | 0 | 0 | 0 | 113.8 | ||
| 391 | S | 45.8 | Very low | 58 | Low | 111 Ų | 111 | 81.3 Ų | 81.3 | 78% | 0.776 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -9.1 | -178.1 | 53 | 0 | 0 | 0 | 0 | 114.3 | C389 | C389-S391 PolarHBondContact O-N 3.03Å; C389-S391 VanDerWaalsContact O-N 3.09Å |
| 392 | S | 46.5 | Very low | 55.9 | Low | 40 Ų | 40 | 81.5 Ų | 81.5 | 28% | 0.28 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -82.8 | 121 | 173.6 | -3.1 | 0 | 0 | 0 | 0 | 109 | C389 L394 | C389-S392 PolarHBondContact O-N 2.96Å; C389-S392 PolarHBondContact O-OG 3.43Å; S392-L394 PolarHBondContact O-N 3.31Å |
| 393 | P | 46 | Very low | 54 | Low | 97 Ų | 97 | 86.6 Ų | 86.6 | 63% | 0.63 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 129.2 | 171 | 24.1 | -30.2 | 0 | 0 | 0 | 108.3 | Y377 | Y377-P393 PolarHBondContact OH-O 3.34Å; Y377-P393 VanDerWaalsContact OH-O 3.07Å |
| 394 | L | 51.9 | Low | 52.1 | Low | 87 Ų | 87 | 83.7 Ų | 83.7 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 145.9 | 170.6 | -73.7 | 160.1 | 0 | 0 | 0 | 108.8 | S392 E396 V398 Y399 | S392-L394 PolarHBondContact O-N 3.31Å; L394-E396 PolarHBondContact O-N 3.25Å; L394-V398 HydrophobicContact CB-CB 4.29Å; L394-V398 HydrophobicContact CB-CG2 4.39Å; L394-V398 HydrophobicContact CD1-CG1 4.35Å; L394-Y399 HydrophobicContact CB-CE2 4.07Å |
| 395 | P | 50.3 | Low | 50 | Low | 19 Ų | 19 | 88.1 Ų | 88.1 | 12% | 0.123 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 139.7 | 174.4 | -22.9 | 30.9 | 0 | 0 | 0 | 110.8 | Y377 S397 V398 | Y377-P395 HydrophobicContact CD2-CB 4.19Å; Y377-P395 HydrophobicContact CD2-CG 4.3Å; Y377-P395 HydrophobicContact CE1-CG 4.38Å; Y377-P395 HydrophobicContact CE2-CB 3.89Å; Y377-P395 HydrophobicContact CE2-CG 3.86Å; P395-S397 PolarHBondContact O-N 2.93Å; P395-V398 HydrophobicContact CB-CG2 4.49Å; P395-V398 WeakPolarHBondContact O-CB 3.48Å; P395-V398 PolarHBondContact O-N 3.44Å |
| 396 | E | 45.7 | Very low | 48.3 | Very low | 167 Ų | 167 | 91.5 Ų | 91.5 | 78% | 0.78 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -54 | -26.7 | -179.2 | -72.6 | -177.1 | 155.3 | 0 | 0 | 112.8 | L394 V398 Y399 D400 | L394-E396 PolarHBondContact O-N 3.25Å; E396-V398 PolarHBondContact O-N 3.24Å; E396-Y399 PolarHBondContact O-N 3.32Å; E396-D400 PolarHBondContact O-N 3.24Å |
| 397 | S | 47.8 | Very low | 46.4 | Very low | 54 Ų | 54 | 96.7 Ų | 96.7 | 38% | 0.378 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -58.4 | -27.5 | 173.8 | 62.9 | 0 | 0 | 0 | 0 | 114.4 | S370 P395 A401 | S370-S397 PolarHBondContact O-OG 3.23Å; P395-S397 PolarHBondContact O-N 2.93Å; S397-A401 PolarHBondContact O-N 3.17Å |
| 398 | V | 46.4 | Very low | 44.8 | Very low | 59 Ų | 59 | 99.4 Ų | 99.4 | 36% | 0.358 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.8 | -32.3 | 177.4 | -177.1 | 0 | 0 | 0 | 0 | 111 | L394 P395 E396 | L394-V398 HydrophobicContact CB-CB 4.29Å; L394-V398 HydrophobicContact CB-CG2 4.39Å; L394-V398 HydrophobicContact CD1-CG1 4.35Å; P395-V398 HydrophobicContact CB-CG2 4.49Å; P395-V398 WeakPolarHBondContact O-CB 3.48Å; P395-V398 PolarHBondContact O-N 3.44Å; E396-V398 PolarHBondContact O-N 3.24Å |
| 399 | Y | 45.8 | Very low | 43.7 | Very low | 146 Ų | 146 | 103 Ų | 103 | 57% | 0.573 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -78.9 | -25.8 | 176.2 | -63.9 | -78.7 | 0 | 0 | 0 | 112.7 | L394 E396 | L394-Y399 HydrophobicContact CB-CE2 4.07Å; E396-Y399 PolarHBondContact O-N 3.32Å |
| 400 | D | 41 | Very low | 42.7 | Very low | 84 Ų | 84 | 110 Ų | 110 | 45% | 0.449 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -81.8 | -21 | 178 | -80.7 | -17.1 | 0 | 0 | 0 | 113.8 | E396 G402 K403 | E396-D400 PolarHBondContact O-N 3.24Å; D400-G402 PolarHBondContact O-N 2.78Å; D400-K403 PolarHBondContact O-N 2.93Å; D400-K403 IonicContact OD1-NZ 2.73Å; D400-K403 PolarHBondContact OD1-NZ 3.18Å |
| 401 | A | 44.6 | Very low | 41.8 | Very low | 58 Ų | 58 | 113 Ų | 113 | 48% | 0.479 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61 | -25.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | S397 T404 | S397-A401 PolarHBondContact O-N 3.17Å; A401-T404 PolarHBondContact O-OG1 3.28Å |
| 402 | G | 39 | Very low | 41.4 | Very low | 72 Ų | 72 | 112.2 Ų | 112.2 | 74% | 0.742 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -7.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D400 | D400-G402 PolarHBondContact O-N 2.78Š|
| 403 | K | 38.9 | Very low | 40.9 | Very low | 147 Ų | 147 | 118.9 Ų | 118.9 | 64% | 0.639 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -8.7 | -177.4 | -66 | -176.8 | -165.7 | 149.8 | 0 | 114 | D400 P405 | D400-K403 PolarHBondContact O-N 2.93Å; D400-K403 IonicContact OD1-NZ 2.73Å; D400-K403 PolarHBondContact OD1-NZ 3.18Å; K403-P405 WeakPolarHBondContact O-CD 3.32Å |
| 404 | T | 37.2 | Very low | 40.2 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 66% | 0.656 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -81.2 | 116.9 | 171.6 | 47.7 | 0 | 0 | 0 | 0 | 108.5 | A401 | A401-T404 PolarHBondContact O-OG1 3.28Š|
| 405 | P | 35.7 | Very low | 39.4 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 71% | 0.714 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 142.5 | 173.5 | 25.7 | -31.5 | 0 | 0 | 0 | 108.2 | K403 | K403-P405 WeakPolarHBondContact O-CD 3.32Š|
| 406 | P | 38.6 | Very low | 38.8 | Very low | 108 Ų | 108 | 129 Ų | 129 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 138.2 | 174 | 23.9 | -32.3 | 0 | 0 | 0 | 108.2 | L408 | P406-L408 PolarHBondContact O-N 3.01Š|
| 407 | P | 36.4 | Very low | 38.3 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | -58 | 111.6 | 178.7 | 22.5 | -30.6 | 0 | 0 | 0 | 107.7 | M409 | P407-M409 PolarHBondContact O-N 2.96Š| ||
| 408 | L | 37.3 | Very low | 37.8 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -54.6 | 111.8 | 173.6 | -78.6 | 161.6 | 0 | 0 | 0 | 107 | P406 K410 | P406-L408 PolarHBondContact O-N 3.01Å; L408-K410 VanDerWaalsContact C-N 3.34Å; L408-K410 PolarHBondContact O-N 3.5Å | ||
| 409 | M | 33.6 | Very low | 37.3 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 89% | 0.892 | 76% | 0.761 | S | S | * | * | trans | -53.1 | 104.3 | 163.6 | -87.6 | -171.7 | -172.5 | 0 | 0 | 106.8 | P407 R411 | P407-M409 PolarHBondContact O-N 2.96Å; M409-R411 VanDerWaalsContact C-N 3.29Å; M409-R411 PolarHBondContact O-N 3.07Å | ||
| 410 | K | 35.6 | Very low | 36.9 | Very low | 205 Ų | 205 | 142.4 Ų | 142.4 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | -60.1 | 100.3 | 163.5 | -79.8 | -177.6 | 175.7 | 179 | 0 | 106 | L408 A412 | L408-K410 VanDerWaalsContact C-N 3.34Å; L408-K410 PolarHBondContact O-N 3.5Å; K410-A412 PolarHBondContact O-N 3.43Å | ||
| 411 | R | 32.8 | Very low | 36.6 | Very low | 231 Ų | 231 | 145.9 Ų | 145.9 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -54.8 | 109.6 | 165.8 | -83.6 | -178.7 | 172.2 | 175.1 | -2.2 | 107 | M409 F413 | M409-R411 VanDerWaalsContact C-N 3.29Å; M409-R411 PolarHBondContact O-N 3.07Å; R411-F413 VanDerWaalsContact C-N 3.26Å; R411-F413 PolarHBondContact O-N 3.22Å | ||
| 412 | A | 37.7 | Very low | 36.1 | Very low | 94 Ų | 94 | 151.4 Ų | 151.4 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -69 | 87.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | K410 | K410-A412 PolarHBondContact O-N 3.43Š| ||
| 413 | F | 35.7 | Very low | 35.9 | Very low | 180 Ų | 180 | 156.7 Ų | 156.7 | 79% | 0.789 | 81% | 0.814 | S | S | * | * | trans | -136 | 77.7 | 159.1 | -78.2 | -75.8 | 0 | 0 | 0 | 107.7 | R411 | R411-F413 VanDerWaalsContact C-N 3.26Å; R411-F413 PolarHBondContact O-N 3.22Å | ||
| 414 | S | 32.2 | Very low | 35.7 | Very low | 109 Ų | 109 | 157.4 Ų | 157.4 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | -93.9 | 97.9 | 153.6 | -175.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 415 | T | 35.8 | Very low | 35.6 | Very low | 126 Ų | 126 | 161.2 Ų | 161.2 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | trans | -94.2 | 102.9 | 157.8 | 48.3 | 0 | 0 | 0 | 0 | 106.4 | K417 | T415-K417 PolarHBondContact O-N 3.17Š| ||
| 416 | E | 37 | Very low | 35.6 | Very low | 180 Ų | 180 | 165.5 Ų | 165.5 | 84% | 0.841 | 85% | 0.85 | S | S | * | * | trans | -60.4 | 128.8 | 164.7 | -69.6 | 178.4 | 156.6 | 0 | 0 | 109.6 | ||||
| 417 | K | 34.5 | Very low | 35.3 | Very low | 282 Ų | 282 | 170.7 Ų | 170.7 | 100% | 1.226 | 86% | 0.864 | S | S | * | * | trans | -143.5 | 0 | 144.3 | -97.9 | -165.2 | 178.7 | -177 | 0 | 108.7 | T415 | T415-K417 PolarHBondContact O-N 3.17Š|
Retrieved 417 of 417 residues in 415.5 ms
(Link to these results)