| 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 | 43.7 | Very low | 65.2 | Low | 52 Ų | 52 | 55.8 Ų | 55.8 | 26% | 0.256 | 30% | 0.302 | S | S | . | . | 0 | 101 | 0 | -53.2 | -166.2 | -70.6 | 0 | 0 | 114.4 | R634 R666 I669 D670 T713 | M1-R634 HydrophobicContact CE-CG 4.18Å; M1-R666 VanDerWaalsContact C-CZ 3.42Å; M1-R666 VanDerWaalsContact CA-CZ 3.44Å; M1-R666 VanDerWaalsContact N-NE 3.11Å; M1-R666 PolarHBondContact O-NH1 3.44Å; M1-R666 PolarHBondContact O-NH2 3.48Å; M1-I669 HydrophobicContact CE-CG2 4.02Å; M1-D670 WeakPolarHBondContact CG-OD1 3.47Å; M1-D670 PolarHBondContact N-OD1 3.46Å; M1-D670 PolarHBondContact N-OD2 2.9Å; M1-T713 HydrophobicContact SD-CG2 3.61Å | |||
| 2 | A | 52 | Low | 66.9 | Low | 19 Ų | 19 | 52.2 Ų | 52.2 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | trans | -47.6 | 151.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E4 R9 V10 F11 | A2-E4 PolarHBondContact O-N 2.66Å; A2-R9 HydrophobicContact CB-CB 3.4Å; A2-R9 VanDerWaalsContact CB-CB 3.4Å; A2-R9 HydrophobicContact CB-CG 3.91Å; A2-V10 WeakPolarHBondContact CA-O 3.47Å; A2-F11 HydrophobicContact CB-CD1 4.31Å; A2-F11 HydrophobicContact CB-CD2 4.03Å; A2-F11 HydrophobicContact CB-CE1 4Å; A2-F11 HydrophobicContact CB-CE2 3.72Å; A2-F11 HydrophobicContact CB-CG 4.34Å; A2-F11 HydrophobicContact CB-CZ 3.71Å | ||
| 3 | V | 56.4 | Low | 68.5 | Low | 50 Ų | 50 | 48.6 Ų | 48.6 | 30% | 0.303 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 109.6 | 161 | -175.3 | 0 | 0 | 0 | 0 | 105 | E5 V10 | V3-E5 HydrophobicContact CG1-CG 4.04Å; V3-E5 PolarHBondContact O-N 3.08Å; V3-V10 PolarHBondContact N-O 3.11Å; V3-V10 PolarHBondContact O-N 2.84Å |
| 4 | E | 55.4 | Low | 70.1 | Confident | 147 Ų | 147 | 45.2 Ų | 45.2 | 69% | 0.687 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 111.8 | 175.1 | -75.1 | -176 | 179 | 0 | 0 | 108.4 | A2 L8 | A2-E4 PolarHBondContact O-N 2.66Å; E4-L8 WeakPolarHBondContact CA-O 3.27Å |
| 5 | E | 60.7 | Low | 71.5 | Confident | 65 Ų | 65 | 50 Ų | 50 | 30% | 0.304 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 107.7 | 174.3 | -68.5 | -173.7 | 162.6 | 0 | 0 | 107.8 | V3 G7 L8 K801 | V3-E5 HydrophobicContact CG1-CG 4.04Å; V3-E5 PolarHBondContact O-N 3.08Å; E5-G7 VanDerWaalsContact C-N 3.26Å; E5-G7 PolarHBondContact O-N 3.19Å; E5-G7 VanDerWaalsContact O-N 3.13Å; E5-L8 PolarHBondContact N-O 3.33Å; E5-L8 WeakPolarHBondContact O-CB 3.23Å; E5-L8 PolarHBondContact O-N 3.34Å; E5-K801 IonicContact OE1-NZ 3.46Å; E5-K801 IonicContact OE2-NZ 3.36Å; E5-K801 PolarHBondContact OE2-NZ 3.42Å |
| 6 | E | 62.2 | Low | 72.8 | Confident | 127 Ų | 127 | 46.9 Ų | 46.9 | 59% | 0.593 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 35.8 | 175.6 | -55.9 | -169.2 | 169.9 | 0 | 0 | 115 | K804 | E6-K804 IonicContact OE1-NZ 3.78Å; E6-K804 IonicContact OE2-NZ 2.85Å; E6-K804 PolarHBondContact OE2-NZ 2.93Å |
| 7 | G | 62.5 | Low | 74 | Confident | 63 Ų | 63 | 50.8 Ų | 50.8 | 65% | 0.649 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 1.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E5 | E5-G7 VanDerWaalsContact C-N 3.26Å; E5-G7 PolarHBondContact O-N 3.19Å; E5-G7 VanDerWaalsContact O-N 3.13Å |
| 8 | L | 75.7 | Confident | 75 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 138.5 | 169.4 | -170.9 | 78.5 | 0 | 0 | 0 | 110.6 | E4 E5 V10 H293 V294 F295 Y797 | E4-L8 WeakPolarHBondContact CA-O 3.27Å; E5-L8 PolarHBondContact N-O 3.33Å; E5-L8 WeakPolarHBondContact O-CB 3.23Å; E5-L8 PolarHBondContact O-N 3.34Å; L8-V10 HydrophobicContact CD2-CG2 4.1Å; L8-H293 HydrophobicContact CD2-CB 3.98Å; L8-V294 VanDerWaalsContact CD1-O 3.31Å; L8-V294 WeakPolarHBondContact CD1-O 3.39Å; L8-F295 HydrophobicContact CD1-CB 4.35Å; L8-F295 HydrophobicContact CD1-CD1 3.31Å; L8-F295 HydrophobicContact CD1-CD2 4.34Å; L8-F295 HydrophobicContact CD1-CE1 3.52Å; L8-F295 HydrophobicContact CD1-CG 3.75Å; L8-F295 HydrophobicContact CD1-CZ 4.14Å; L8-Y797 HydrophobicContact CB-CE2 4.19Å; L8-Y797 HydrophobicContact CD2-CD1 3.95Å; L8-Y797 HydrophobicContact CD2-CE1 3.33Å; L8-Y797 HydrophobicContact CD2-CE2 4.05Å |
| 9 | R | 84.6 | Confident | 75.9 | Confident | 64 Ų | 64 | 45.9 Ų | 45.9 | 24% | 0.242 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 106 | 177.4 | -68.9 | -171.8 | -57 | 139.1 | 3.3 | 110.1 | A2 F11 V294 D725 D727 | A2-R9 HydrophobicContact CB-CB 3.4Å; A2-R9 VanDerWaalsContact CB-CB 3.4Å; A2-R9 HydrophobicContact CB-CG 3.91Å; R9-F11 HydrophobicContact CB-CE2 3.98Å; R9-V294 HydrophobicContact CB-CB 4.16Å; R9-V294 PolarHBondContact N-O 2.92Å; R9-V294 WeakPolarHBondContact O-CB 3.26Å; R9-V294 PolarHBondContact O-N 3.49Å; R9-D725 IonicContact CZ-OD1 2.73Å; R9-D725 IonicContact CZ-OD2 3.46Å; R9-D725 VanDerWaalsContact CZ-OD2 3.31Å; R9-D725 IonicContact NH1-OD1 3.02Å; R9-D725 IonicContact NH1-OD2 2.82Å; R9-D725 PolarHBondContact NH1-OD2 2.88Å; R9-D725 IonicContact NH2-OD1 2.94Å; R9-D725 PolarHBondContact NH2-OD1 3.05Å; R9-D725 IonicContact NH2-OD2 3.83Å; R9-D725 PolarHBondContact NH2-OD2 2.9Å; R9-D727 IonicContact NH2-OD2 3.26Å |
| 10 | V | 81.4 | Confident | 76.7 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 120.3 | 176.5 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | A2 V3 L8 Q12 D292 | A2-V10 WeakPolarHBondContact CA-O 3.47Å; V3-V10 PolarHBondContact N-O 3.11Å; V3-V10 PolarHBondContact O-N 2.84Å; L8-V10 HydrophobicContact CD2-CG2 4.1Å; V10-Q12 HydrophobicContact CG1-CG 4.03Å; V10-D292 WeakPolarHBondContact CA-O 3.41Å |
| 11 | F | 82.4 | Confident | 77.5 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.3 | 172.2 | -63.1 | -96.6 | 0 | 0 | 0 | 110.1 | A2 R9 E291 D292 V294 R728 | A2-F11 HydrophobicContact CB-CD1 4.31Å; A2-F11 HydrophobicContact CB-CD2 4.03Å; A2-F11 HydrophobicContact CB-CE1 4Å; A2-F11 HydrophobicContact CB-CE2 3.72Å; A2-F11 HydrophobicContact CB-CG 4.34Å; A2-F11 HydrophobicContact CB-CZ 3.71Å; R9-F11 HydrophobicContact CB-CE2 3.98Å; F11-E291 CarbonylContact O-C 3.52Å; F11-E291 WeakPolarHBondContact O-CA 3.14Å; F11-D292 HydrophobicContact CB-CB 4.23Å; F11-D292 PolarHBondContact N-O 2.59Å; F11-D292 PolarHBondContact O-N 2.97Å; F11-V294 HydrophobicContact CD2-CB 4.46Å; F11-V294 HydrophobicContact CD2-CG2 3.7Å; F11-V294 HydrophobicContact CE2-CB 4.32Å; F11-V294 HydrophobicContact CE2-CG2 3.89Å; F11-R728 HydrophobicContact CD2-CG 4.33Å |
| 12 | Q | 85.9 | Confident | 79.8 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.2 | 179.9 | -54.5 | -176.4 | -58.8 | 0 | 0 | 108.5 | V10 E68 I69 Y289 T290 E291 | V10-Q12 HydrophobicContact CG1-CG 4.03Å; Q12-E68 CarbonylContact O-C 3.57Å; Q12-E68 WeakPolarHBondContact O-CA 3.43Å; Q12-I69 HydrophobicContact CB-CB 3.98Å; Q12-I69 PolarHBondContact O-N 2.98Å; Q12-Y289 PolarHBondContact NE2-OH 3.01Å; Q12-T290 CarbonylContact C-O 3.46Å; Q12-T290 WeakPolarHBondContact CA-O 3.47Å; Q12-E291 HydrophobicContact CG-CG 4.14Å; Q12-E291 PolarHBondContact NE2-OE1 3.15Å |
| 13 | S | 88.3 | Confident | 81.6 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 150.3 | 173.7 | 81 | 0 | 0 | 0 | 0 | 112.2 | C67 T290 | S13-C67 VanDerWaalsContact CA-O 3.3Å; S13-C67 WeakPolarHBondContact CA-O 3.2Å; S13-C67 WeakPolarHBondContact CB-O 3.27Å; S13-T290 PolarHBondContact N-O 2.93Å; S13-T290 PolarHBondContact O-N 3.14Å; S13-T290 PolarHBondContact O-OG1 2.9Å; S13-T290 VanDerWaalsContact O-OG1 3.04Å; S13-T290 PolarHBondContact OG-OG1 3.08Å |
| 14 | V | 90.8 | Very high | 83.2 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.4 | 176.5 | 70.3 | 0 | 0 | 0 | 0 | 109.7 | I16 Y66 C67 I69 L76 I287 V288 Y289 | V14-I16 HydrophobicContact CG1-CD1 4.2Å; V14-I16 HydrophobicContact CG1-CG1 4.36Å; V14-I16 HydrophobicContact CG2-CD1 3.96Å; V14-I16 HydrophobicContact CG2-CG1 3.61Å; V14-Y66 WeakPolarHBondContact O-CA 3.47Å; V14-C67 VanDerWaalsContact CG1-SG 3.57Å; V14-C67 PolarHBondContact N-O 3.08Å; V14-C67 PolarHBondContact O-N 3.41Å; V14-I69 HydrophobicContact CB-CD1 4.26Å; V14-I69 HydrophobicContact CG1-CD1 4.17Å; V14-I69 HydrophobicContact CG1-CG1 4.39Å; V14-L76 HydrophobicContact CG2-CD2 4.06Å; V14-I287 HydrophobicContact CG2-CG2 3.95Å; V14-V288 CarbonylContact C-O 3.27Å; V14-V288 WeakPolarHBondContact CA-O 3.45Å; V14-Y289 HydrophobicContact CB-CD2 4.41Å |
| 15 | K | 90.3 | Very high | 84.7 | Confident | 117 Ų | 117 | 41 Ų | 41 | 51% | 0.509 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.7 | 166.1 | -175.8 | -176.8 | 179 | -175.7 | 0 | 107.9 | F65 Y66 V288 | K15-F65 CarbonylContact C-O 3.53Å; K15-F65 WeakPolarHBondContact CA-O 3.2Å; K15-Y66 HydrophobicContact CB-CD2 4.07Å; K15-V288 HydrophobicContact CB-CB 4.17Å; K15-V288 PolarHBondContact N-O 3.43Å; K15-V288 PolarHBondContact O-N 2.78Å |
| 16 | I | 92.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.5 | -173.7 | -53.2 | 179.7 | 0 | 0 | 0 | 107.7 | V14 I18 V40 D64 F65 L76 F78 N286 | V14-I16 HydrophobicContact CG1-CD1 4.2Å; V14-I16 HydrophobicContact CG1-CG1 4.36Å; V14-I16 HydrophobicContact CG2-CD1 3.96Å; V14-I16 HydrophobicContact CG2-CG1 3.61Å; I16-I18 HydrophobicContact CG2-CG1 3.94Å; I16-V40 HydrophobicContact CD1-CG1 3.58Å; I16-V40 HydrophobicContact CD1-CG2 4.37Å; I16-D64 CarbonylContact O-C 3.46Å; I16-D64 WeakPolarHBondContact O-CA 3.48Å; I16-F65 HydrophobicContact CB-CB 4.47Å; I16-F65 HydrophobicContact CD1-CD1 4.01Å; I16-F65 HydrophobicContact CG1-CD1 4.42Å; I16-F65 PolarHBondContact N-O 2.89Å; I16-F65 PolarHBondContact O-N 3.37Å; I16-L76 HydrophobicContact CD1-CD1 4.14Å; I16-L76 HydrophobicContact CD1-CD2 3.96Å; I16-F78 HydrophobicContact CD1-CE1 3.83Å; I16-F78 HydrophobicContact CD1-CZ 3.91Å; I16-F78 HydrophobicContact CG2-CE1 3.75Å; I16-F78 HydrophobicContact CG2-CZ 4.16Å; I16-N286 CarbonylContact C-O 3.55Å; I16-N286 WeakPolarHBondContact CA-O 3.43Å |
| 17 | K | 92.3 | Very high | 86.6 | Confident | 113 Ų | 113 | 38.5 Ų | 38.5 | 49% | 0.491 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.5 | 164.7 | -178.8 | 165.2 | -173.6 | 175.2 | 0 | 108.9 | D64 N286 | K17-D64 VanDerWaalsContact CB-OD1 3.26Å; K17-D64 WeakPolarHBondContact CB-OD1 3.31Å; K17-D64 WeakPolarHBondContact CD-OD1 3.13Å; K17-D64 WeakPolarHBondContact CG-OD1 3.42Å; K17-N286 HydrophobicContact CB-CB 4.14Å; K17-N286 PolarHBondContact N-O 2.9Å; K17-N286 PolarHBondContact O-N 3.13Å |
| 18 | I | 93.5 | Very high | 87 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 105.5 | 177.6 | -52.3 | 171.7 | 0 | 0 | 0 | 106.7 | I16 C38 V40 F48 T50 Y61 G62 E63 L283 L285 | I16-I18 HydrophobicContact CG2-CG1 3.94Å; I18-C38 HydrophobicContact CG2-CB 4.21Å; I18-V40 HydrophobicContact CD1-CG2 3.77Å; I18-F48 HydrophobicContact CD1-CD1 4.02Å; I18-F48 HydrophobicContact CD1-CE1 3.98Å; I18-T50 HydrophobicContact CB-CG2 4.46Å; I18-T50 HydrophobicContact CD1-CG2 3.57Å; I18-T50 HydrophobicContact CG2-CG2 4.26Å; I18-Y61 HydrophobicContact CG2-CD2 3.72Å; I18-Y61 HydrophobicContact CG2-CG 4.14Å; I18-G62 WeakPolarHBondContact O-CA 3.43Å; I18-G62 PolarHBondContact O-N 2.92Å; I18-E63 PolarHBondContact N-O 2.85Å; I18-E63 PolarHBondContact O-N 2.77Å; I18-L283 HydrophobicContact CG2-CD1 4.49Å; I18-L285 HydrophobicContact CG1-CD2 4.37Å; I18-L285 HydrophobicContact CG2-CD2 4.3Å |
| 19 | G | 91 | Very high | 86.7 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -104.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y61 G62 R284 | G19-Y61 PolarHBondContact O-N 2.89Å; G19-G62 PolarHBondContact O-N 3.1Å; G19-R284 PolarHBondContact N-O 2.88Å |
| 20 | E | 92.4 | Very high | 85.7 | Confident | 34 Ų | 34 | 46.3 Ų | 46.3 | 16% | 0.159 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154.9 | -178.5 | 67 | -174.3 | 161.8 | 0 | 0 | 110.3 | K22 P59 F60 W112 R284 | E20-K22 WeakPolarHBondContact OE1-CE 3.47Å; E20-K22 IonicContact OE1-NZ 2.78Å; E20-K22 PolarHBondContact OE1-NZ 2.92Å; E20-K22 VanDerWaalsContact OE2-CE 3.29Å; E20-K22 WeakPolarHBondContact OE2-CE 3.34Å; E20-K22 IonicContact OE2-NZ 3.77Å; E20-P59 CarbonylContact C-O 3.58Å; E20-P59 VanDerWaalsContact CA-O 3.26Å; E20-P59 WeakPolarHBondContact CA-O 3.31Å; E20-F60 HydrophobicContact CB-CB 4.29Å; E20-F60 HydrophobicContact CB-CD2 3.91Å; E20-W112 HydrophobicContact CG-CH2 3.55Å; E20-W112 HydrophobicContact CG-CZ2 4.26Å; E20-W112 HydrophobicContact CG-CZ3 4.33Å; E20-R284 WeakPolarHBondContact O-CB 3.31Å; E20-R284 PolarHBondContact O-N 2.87Å |
| 21 | A | 93.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 152.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110 | I24 C58 P59 Y61 I80 S282 L283 | A21-I24 HydrophobicContact CB-CD1 3.84Å; A21-I24 HydrophobicContact CB-CG1 4.25Å; A21-C58 CarbonylContact O-C 3.54Å; A21-C58 VanDerWaalsContact O-C 3.26Å; A21-C58 WeakPolarHBondContact O-CA 3.41Å; A21-P59 HydrophobicContact CB-CG 3.96Å; A21-P59 PolarHBondContact N-O 2.78Å; A21-Y61 HydrophobicContact CB-CE2 4.37Å; A21-I80 HydrophobicContact CB-CD1 3.6Å; A21-S282 CarbonylContact C-O 3.5Å; A21-S282 WeakPolarHBondContact CA-O 3.48Å; A21-L283 HydrophobicContact CB-CD1 4.04Å |
| 22 | K | 92.4 | Very high | 85.1 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 156.1 | 178.2 | -74.5 | -175.6 | 178.2 | 153.5 | 0 | 111.2 | E20 I24 C58 W112 G281 S282 | E20-K22 WeakPolarHBondContact OE1-CE 3.47Å; E20-K22 IonicContact OE1-NZ 2.78Å; E20-K22 PolarHBondContact OE1-NZ 2.92Å; E20-K22 VanDerWaalsContact OE2-CE 3.29Å; E20-K22 WeakPolarHBondContact OE2-CE 3.34Å; E20-K22 IonicContact OE2-NZ 3.77Å; K22-I24 PolarHBondContact O-N 3.26Å; K22-C58 HydrophobicContact CG-CB 4.34Å; K22-W112 HydrophobicContact CB-CH2 4.37Å; K22-W112 HydrophobicContact CB-CZ3 4.24Å; K22-W112 HydrophobicContact CD-CH2 3.57Å; K22-W112 HydrophobicContact CD-CZ2 4.26Å; K22-W112 HydrophobicContact CD-CZ3 4.25Å; K22-W112 HydrophobicContact CG-CH2 3.84Å; K22-W112 HydrophobicContact CG-CZ3 4.17Å; K22-G281 CarbonylContact O-C 3.57Å; K22-G281 WeakPolarHBondContact O-CA 3.43Å; K22-S282 PolarHBondContact N-O 3.4Å; K22-S282 PolarHBondContact O-N 3.27Å |
| 23 | N | 89.4 | Confident | 85 | Confident | 107 Ų | 107 | 61.8 Ų | 61.8 | 57% | 0.572 | 32% | 0.324 | S | S | * | . | trans | 57.2 | 35.5 | 178.4 | -56.6 | -21.2 | 0 | 0 | 0 | 112.8 | G281 | N23-G281 VanDerWaalsContact O-CA 3.32Å; N23-G281 WeakPolarHBondContact O-CA 3.43Å; N23-G281 PolarHBondContact O-N 3.12Å | ||
| 24 | I | 90.3 | Very high | 84.8 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 131.4 | 173.5 | -66.2 | -178.9 | 0 | 0 | 0 | 108.5 | A21 K22 L57 P59 I80 V93 | A21-I24 HydrophobicContact CB-CD1 3.84Å; A21-I24 HydrophobicContact CB-CG1 4.25Å; K22-I24 PolarHBondContact O-N 3.26Å; I24-L57 WeakPolarHBondContact CB-O 3.29Å; I24-L57 HydrophobicContact CG2-CD2 4.47Å; I24-L57 PolarHBondContact N-O 2.85Å; I24-L57 VanDerWaalsContact N-O 3.13Å; I24-P59 HydrophobicContact CD1-CG 3.67Å; I24-I80 HydrophobicContact CD1-CD1 4.3Å; I24-I80 HydrophobicContact CD1-CG2 4.11Å; I24-V93 HydrophobicContact CG2-CG1 3.79Å |
| 25 | P | 86.9 | Confident | 84.7 | Confident | 35 Ų | 35 | 64 Ų | 64 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 142.2 | 179.6 | 23.5 | -34.8 | 0 | 0 | 0 | 111 | R34 V93 L280 | P25-R34 PolarHBondContact O-NE 3.47Å; P25-R34 PolarHBondContact O-NH2 2.9Å; P25-V93 HydrophobicContact CG-CG1 4.37Å; P25-L280 WeakPolarHBondContact CD-O 3.31Å; P25-L280 HydrophobicContact CG-CD2 4.07Å |
| 26 | P | 83.8 | Confident | 84.7 | Confident | 70 Ų | 70 | 58.4 Ų | 58.4 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 157.2 | -179.1 | 25.4 | -33.5 | 0 | 0 | 0 | 112.9 | R32 R34 L57 | P26-R32 VanDerWaalsContact CA-O 3.3Å; P26-R32 WeakPolarHBondContact CA-O 3.31Å; P26-R32 HydrophobicContact CB-CB 4.05Å; P26-R32 VanDerWaalsContact CB-O 3.26Å; P26-R32 WeakPolarHBondContact CB-O 3.02Å; P26-R34 PolarHBondContact O-NH2 3.48Å; P26-L57 HydrophobicContact CB-CD1 4.23Å |
| 27 | Y | 79.1 | Confident | 84.6 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 28% | 0.275 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 139 | 174.9 | -174.5 | -98.6 | 0 | 0 | 0 | 110.9 | G29 R32 D82 D84 | Y27-G29 PolarHBondContact O-N 3.04Å; Y27-R32 PolarHBondContact N-O 3.44Å; Y27-R32 VanDerWaalsContact N-O 3.09Å; Y27-D82 VanDerWaalsContact CD2-OD2 3.31Å; Y27-D82 WeakPolarHBondContact CD2-OD2 3.12Å; Y27-D84 PolarHBondContact OH-OD2 2.99Å |
| 28 | P | 69.1 | Low | 84.7 | Confident | 123 Ų | 123 | 53.5 Ų | 53.5 | 80% | 0.799 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -71.4 | 28 | -177.8 | -16 | 30.5 | 0 | 0 | 0 | 115.9 | ||
| 29 | G | 70 | Confident | 84.7 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 26% | 0.258 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -127.7 | -175.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y27 N31 | Y27-G29 PolarHBondContact O-N 3.04Å; G29-N31 VanDerWaalsContact C-N 3.26Å; G29-N31 PolarHBondContact O-N 3Å |
| 30 | P | 64.9 | Low | 84.9 | Confident | 146 Ų | 146 | 53 Ų | 53 | 95% | 0.948 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -63.2 | -34.2 | -179.3 | 23.8 | -31.8 | 0 | 0 | 0 | 112.1 | ||
| 31 | N | 69.2 | Low | 84.9 | Confident | 86 Ų | 86 | 52 Ų | 52 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -88 | 108.1 | 168.2 | -169.5 | 13.7 | 0 | 0 | 0 | 108.7 | G29 M33 | G29-N31 VanDerWaalsContact C-N 3.26Å; G29-N31 PolarHBondContact O-N 3Å; N31-M33 PolarHBondContact O-N 3.45Å |
| 32 | R | 80.2 | Confident | 84.7 | Confident | 186 Ų | 186 | 52 Ų | 52 | 70% | 0.702 | 28% | 0.278 | S | S | * | . | trans | -76.9 | -7.9 | -178.5 | -69.3 | -173.9 | 174.9 | -171.2 | -1.1 | 113.7 | P26 Y27 | P26-R32 VanDerWaalsContact CA-O 3.3Å; P26-R32 WeakPolarHBondContact CA-O 3.31Å; P26-R32 HydrophobicContact CB-CB 4.05Å; P26-R32 VanDerWaalsContact CB-O 3.26Å; P26-R32 WeakPolarHBondContact CB-O 3.02Å; Y27-R32 PolarHBondContact N-O 3.44Å; Y27-R32 VanDerWaalsContact N-O 3.09Å | ||
| 33 | M | 83.8 | Confident | 84.5 | Confident | 89 Ų | 89 | 48.9 Ų | 48.9 | 44% | 0.438 | 27% | 0.265 | S | S | . | . | trans | -86.2 | 160.6 | 179.5 | -60.6 | -63.4 | -155.8 | 0 | 0 | 111.8 | N31 K55 L57 | N31-M33 PolarHBondContact O-N 3.45Å; M33-K55 HydrophobicContact CB-CB 3.99Å; M33-K55 HydrophobicContact CB-CG 4.47Å; M33-K55 HydrophobicContact CG-CB 4.35Å; M33-L57 HydrophobicContact SD-CG 4.22Å | ||
| 34 | R | 85.2 | Confident | 84.1 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | trans | -125.2 | 153 | -178.7 | -67.4 | -168.1 | -177.4 | -99.6 | 6.8 | 112.3 | P25 P26 C36 K55 S56 L57 D82 | P25-R34 PolarHBondContact O-NE 3.47Å; P25-R34 PolarHBondContact O-NH2 2.9Å; P26-R34 PolarHBondContact O-NH2 3.48Å; R34-C36 VanDerWaalsContact CB-SG 3.53Å; R34-K55 CarbonylContact O-C 3.26Å; R34-K55 WeakPolarHBondContact O-CA 3.39Å; R34-K55 PolarHBondContact O-N 2.75Å; R34-S56 PolarHBondContact O-N 2.78Å; R34-L57 HydrophobicContact CB-CD2 4.41Å; R34-L57 HydrophobicContact CG-CD2 4.1Å; R34-D82 WeakPolarHBondContact CB-OD1 3.27Å; R34-D82 WeakPolarHBondContact CD-OD2 3.44Å; R34-D82 VanDerWaalsContact CG-OD2 3.3Å; R34-D82 WeakPolarHBondContact CG-OD2 3.3Å; R34-D82 IonicContact CZ-OD2 3.9Å; R34-D82 IonicContact NE-OD2 3.85Å; R34-D82 IonicContact NH1-OD2 3.66Å; R34-D82 PolarHBondContact NH1-OD2 2.82Å | ||
| 35 | D | 87.8 | Confident | 83.9 | Confident | 29 Ų | 29 | 48 Ų | 48 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | trans | -105.2 | 85.4 | 176.1 | -66.4 | -17 | 0 | 0 | 0 | 108.6 | I52 V53 E54 K55 D82 R83 | D35-I52 HydrophobicContact CB-CG2 3.97Å; D35-V53 CarbonylContact C-O 3.49Å; D35-V53 WeakPolarHBondContact CA-O 3.49Å; D35-E54 VanDerWaalsContact OD1-CA 3.23Å; D35-E54 WeakPolarHBondContact OD1-CA 3.47Å; D35-K55 PolarHBondContact OD1-N 2.8Å; D35-D82 PolarHBondContact N-OD1 3.05Å; D35-R83 HydrophobicContact CB-CB 4.12Å; D35-R83 PolarHBondContact O-N 2.95Å | ||
| 36 | C | 90.2 | Very high | 84 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 139.6 | -164.5 | -64.3 | 0 | 0 | 0 | 0 | 113 | R34 I52 V53 P59 I80 F81 | R34-C36 VanDerWaalsContact CB-SG 3.53Å; C36-I52 CarbonylContact O-C 3.49Å; C36-I52 WeakPolarHBondContact O-CA 3.49Å; C36-V53 PolarHBondContact N-O 3.23Å; C36-V53 PolarHBondContact O-N 2.91Å; C36-P59 HydrophobicContact CB-CB 3.99Å; C36-P59 HydrophobicContact CB-CG 3.74Å; C36-I80 HydrophobicContact CB-CG2 4.42Å; C36-F81 CarbonylContact C-O 3.47Å; C36-F81 VanDerWaalsContact CA-O 3.24Å; C36-F81 WeakPolarHBondContact CA-O 3.38Å |
| 37 | Y | 91.9 | Very high | 84.3 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 154.3 | 162.6 | 66 | -87.3 | 0 | 0 | 0 | 111 | T39 R49 I52 I80 F81 R83 S90 | Y37-T39 HydrophobicContact CD2-CG2 3.97Å; Y37-T39 HydrophobicContact CE2-CG2 3.7Å; Y37-R49 HydrophobicContact CD2-CG 3.69Å; Y37-R49 HydrophobicContact CE2-CG 4.09Å; Y37-I52 HydrophobicContact CD1-CG1 3.81Å; Y37-I52 HydrophobicContact CG-CG1 4.19Å; Y37-I80 WeakPolarHBondContact O-CA 3.37Å; Y37-F81 HydrophobicContact CD1-CB 3.91Å; Y37-F81 HydrophobicContact CD2-CB 4.1Å; Y37-F81 HydrophobicContact CD2-CD2 4.27Å; Y37-F81 HydrophobicContact CE1-CB 3.4Å; Y37-F81 VanDerWaalsContact CE1-CB 3.4Å; Y37-F81 HydrophobicContact CE1-CG 4.26Å; Y37-F81 HydrophobicContact CE2-CB 3.61Å; Y37-F81 AromaticContact CE2-CD2 3.58Å; Y37-F81 HydrophobicContact CE2-CD2 3.58Å; Y37-F81 HydrophobicContact CE2-CE2 4.42Å; Y37-F81 AromaticContact CE2-CG 3.75Å; Y37-F81 HydrophobicContact CE2-CG 3.75Å; Y37-F81 HydrophobicContact CG-CB 4.24Å; Y37-F81 AromaticContact CZ-CD2 3.94Å; Y37-F81 AromaticContact CZ-CG 3.58Å; Y37-F81 PolarHBondContact N-O 2.79Å; Y37-F81 PolarHBondContact O-N 2.83Å; Y37-F81 WeakPolarHBondContact OH-CB 3.39Å; Y37-F81 WeakPolarHBondContact OH-CG 3.48Å; Y37-R83 HydrophobicContact CD1-CB 4.48Å; Y37-R83 HydrophobicContact CE1-CB 4.32Å; Y37-S90 VanDerWaalsContact OH-CB 3.29Å; Y37-S90 WeakPolarHBondContact OH-CB 3.44Å; Y37-S90 PolarHBondContact OH-OG 2.9Å |
| 38 | C | 93.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136.9 | 177.8 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | I18 R49 T50 Y61 Y79 | I18-C38 HydrophobicContact CG2-CB 4.21Å; C38-R49 WeakPolarHBondContact O-CA 3.43Å; C38-T50 HydrophobicContact CB-CG2 3.9Å; C38-T50 PolarHBondContact N-OG1 3.45Å; C38-T50 PolarHBondContact O-N 3.14Å; C38-T50 PolarHBondContact O-OG1 2.9Å; C38-Y61 HydrophobicContact CB-CD2 4.34Å; C38-Y61 HydrophobicContact CB-CE1 4.33Å; C38-Y61 HydrophobicContact CB-CE2 3.98Å; C38-Y79 CarbonylContact C-O 3.59Å; C38-Y79 VanDerWaalsContact CA-O 3.3Å; C38-Y79 WeakPolarHBondContact CA-O 3.34Å |
| 39 | T | 93.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 148.5 | 168.5 | 69.4 | 0 | 0 | 0 | 0 | 110.7 | Y37 N41 E46 F48 R49 F78 Y79 F81 | Y37-T39 HydrophobicContact CD2-CG2 3.97Å; Y37-T39 HydrophobicContact CE2-CG2 3.7Å; T39-N41 WeakPolarHBondContact CB-OD1 3.42Å; T39-N41 PolarHBondContact OG1-OD1 3.48Å; T39-E46 HydrophobicContact CG2-CG 4.2Å; T39-F48 CarbonylContact C-O 3.54Å; T39-F48 VanDerWaalsContact CA-O 3.28Å; T39-F48 WeakPolarHBondContact CA-O 3.12Å; T39-R49 HydrophobicContact CG2-CB 4.37Å; T39-R49 HydrophobicContact CG2-CG 4.14Å; T39-F78 VanDerWaalsContact O-CA 3.23Å; T39-F78 WeakPolarHBondContact O-CA 3.48Å; T39-Y79 PolarHBondContact N-O 3.34Å; T39-Y79 PolarHBondContact O-N 2.77Å; T39-Y79 VanDerWaalsContact O-N 3.09Å; T39-F81 HydrophobicContact CG2-CD2 3.83Å; T39-F81 HydrophobicContact CG2-CE2 3.69Å |
| 40 | V | 94.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.5 | 168.6 | -174.8 | 0 | 0 | 0 | 0 | 107.3 | I16 I18 V47 F48 F65 L76 F78 | I16-V40 HydrophobicContact CD1-CG1 3.58Å; I16-V40 HydrophobicContact CD1-CG2 4.37Å; I18-V40 HydrophobicContact CD1-CG2 3.77Å; V40-V47 HydrophobicContact CB-CG2 4.12Å; V40-V47 HydrophobicContact CG1-CG2 3.93Å; V40-V47 VanDerWaalsContact O-CG2 3.24Å; V40-V47 WeakPolarHBondContact O-CG2 3.43Å; V40-V47 PolarHBondContact O-N 2.95Å; V40-F48 HydrophobicContact CB-CB 4.03Å; V40-F48 HydrophobicContact CG2-CB 4.12Å; V40-F48 HydrophobicContact CG2-CD1 4.04Å; V40-F48 PolarHBondContact N-O 2.76Å; V40-F48 PolarHBondContact O-N 3.41Å; V40-F65 HydrophobicContact CB-CD1 4.47Å; V40-F65 HydrophobicContact CG1-CD1 4.28Å; V40-F65 HydrophobicContact CG1-CE1 4.21Å; V40-F65 HydrophobicContact CG2-CD1 4.35Å; V40-L76 HydrophobicContact CG1-CD1 3.77Å; V40-F78 HydrophobicContact CB-CE1 4.45Å; V40-F78 HydrophobicContact CG1-CD1 4.44Å; V40-F78 HydrophobicContact CG1-CE1 4Å; V40-F78 HydrophobicContact CG2-CD1 3.99Å; V40-F78 HydrophobicContact CG2-CE1 3.91Å |
| 41 | N | 92.4 | Very high | 87.5 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.3 | -177.1 | -64 | 50 | 0 | 0 | 0 | 110.6 | T39 D43 Q44 E45 E46 S77 Y79 | T39-N41 WeakPolarHBondContact CB-OD1 3.42Å; T39-N41 PolarHBondContact OG1-OD1 3.48Å; N41-D43 WeakPolarHBondContact CB-O 3.22Å; N41-Q44 PolarHBondContact ND2-O 3.38Å; N41-E45 CarbonylContact C-O 3.57Å; N41-E45 WeakPolarHBondContact CA-O 3.39Å; N41-E46 PolarHBondContact ND2-N 3.37Å; N41-S77 PolarHBondContact N-O 3.45Å; N41-S77 PolarHBondContact O-N 2.83Å; N41-Y79 HydrophobicContact CB-CD2 4.26Å; N41-Y79 HydrophobicContact CB-CE2 3.92Å |
| 42 | L | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 103.5 | 165.5 | -68.1 | 179.3 | 0 | 0 | 0 | 107.9 | Q44 E45 V47 I69 R71 F73 L76 V663 | L42-Q44 PolarHBondContact O-N 3.21Å; L42-E45 PolarHBondContact N-O 2.95Å; L42-E45 PolarHBondContact O-N 3.47Å; L42-E45 VanDerWaalsContact O-N 3.15Å; L42-V47 HydrophobicContact CB-CG1 4.21Å; L42-V47 HydrophobicContact CD1-CG1 3.93Å; L42-V47 HydrophobicContact CG-CG1 3.92Å; L42-V47 HydrophobicContact CG-CG2 4.21Å; L42-I69 HydrophobicContact CD1-CG1 4.2Å; L42-I69 HydrophobicContact CD1-CG2 4.21Å; L42-I69 HydrophobicContact CD2-CD1 4.13Å; L42-R71 PolarHBondContact O-NH2 2.87Å; L42-F73 HydrophobicContact CD2-CD2 4.11Å; L42-F73 HydrophobicContact CD2-CE2 4.4Å; L42-F73 HydrophobicContact CD2-CG 4.19Å; L42-L76 HydrophobicContact CD2-CD1 3.72Å; L42-V663 HydrophobicContact CD1-CG2 4.22Å |
| 43 | D | 87.8 | Confident | 88.6 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.053 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | -117.2 | -160.9 | -46.4 | -57.2 | 0 | 0 | 0 | 111 | N41 R71 F73 R74 H75 | N41-D43 WeakPolarHBondContact CB-O 3.22Å; D43-R71 IonicContact OD2-CZ 3.56Å; D43-R71 IonicContact OD2-NH1 3.91Å; D43-R71 PolarHBondContact OD2-NH1 3.37Å; D43-R71 IonicContact OD2-NH2 3.64Å; D43-F73 WeakPolarHBondContact OD2-CA 3.48Å; D43-R74 WeakPolarHBondContact OD1-CA 3.35Å; D43-R74 PolarHBondContact OD1-N 3.29Å; D43-H75 PolarHBondContact N-O 3.2Å; D43-H75 PolarHBondContact OD1-N 3.07Å |
| 44 | Q | 82.1 | Confident | 88.8 | Confident | 57 Ų | 57 | 35.2 Ų | 35.2 | 27% | 0.266 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.2 | 176.3 | -76.8 | -171.3 | -11.3 | 0 | 0 | 114.8 | N41 L42 E46 | N41-Q44 PolarHBondContact ND2-O 3.38Å; L42-Q44 PolarHBondContact O-N 3.21Å; Q44-E46 PolarHBondContact O-N 2.84Å |
| 45 | E | 85.3 | Confident | 88.8 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 16% | 0.159 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 115.2 | -172.3 | -174.2 | 174.3 | -163.8 | 0 | 0 | 111.2 | N41 L42 V47 R71 N644 N661 C662 | N41-E45 CarbonylContact C-O 3.57Å; N41-E45 WeakPolarHBondContact CA-O 3.39Å; L42-E45 PolarHBondContact N-O 2.95Å; L42-E45 PolarHBondContact O-N 3.47Å; L42-E45 VanDerWaalsContact O-N 3.15Å; E45-V47 PolarHBondContact O-N 3.03Å; E45-R71 IonicContact OE2-CZ 3.75Å; E45-R71 IonicContact OE2-NE 2.71Å; E45-R71 PolarHBondContact OE2-NE 3.45Å; E45-R71 IonicContact OE2-NH2 3.23Å; E45-R71 PolarHBondContact OE2-NH2 2.95Å; E45-N644 PolarHBondContact OE1-ND2 3.04Å; E45-N644 PolarHBondContact OE1-OD1 3.33Å; E45-N661 HydrophobicContact CG-CB 4.08Å; E45-N661 WeakPolarHBondContact OE1-CA 3.39Å; E45-C662 PolarHBondContact OE1-N 2.74Å; E45-C662 WeakPolarHBondContact OE2-CB 3.39Å; E45-C662 PolarHBondContact OE2-SG 2.99Å |
| 46 | E | 89.8 | Confident | 88.7 | Confident | 64 Ų | 64 | 40.4 Ų | 40.4 | 30% | 0.299 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 116.7 | 173.9 | -176 | -179.2 | 136.8 | 0 | 0 | 110.5 | T39 N41 Q44 R49 N661 | T39-E46 HydrophobicContact CG2-CG 4.2Å; N41-E46 PolarHBondContact ND2-N 3.37Å; Q44-E46 PolarHBondContact O-N 2.84Å; E46-R49 VanDerWaalsContact CD-NH2 3.32Å; E46-R49 WeakPolarHBondContact OE1-CB 3.42Å; E46-R49 IonicContact OE1-CZ 3.96Å; E46-R49 VanDerWaalsContact OE1-CZ 3.25Å; E46-R49 IonicContact OE1-NE 3.7Å; E46-R49 PolarHBondContact OE1-NE 2.57Å; E46-R49 IonicContact OE1-NH2 2.86Å; E46-R49 PolarHBondContact OE1-NH2 3.49Å; E46-R49 IonicContact OE2-CZ 3.45Å; E46-R49 IonicContact OE2-NE 2.86Å; E46-R49 IonicContact OE2-NH2 3.93Å; E46-R49 PolarHBondContact OE2-NH2 2.99Å; E46-N661 WeakPolarHBondContact O-CB 3.27Å; E46-N661 PolarHBondContact O-ND2 3.32Å |
| 47 | V | 88.8 | Confident | 88.6 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -23 | 178.9 | -64.8 | 0 | 0 | 0 | 0 | 113 | V40 L42 E45 F65 V663 | V40-V47 HydrophobicContact CB-CG2 4.12Å; V40-V47 HydrophobicContact CG1-CG2 3.93Å; V40-V47 VanDerWaalsContact O-CG2 3.24Å; V40-V47 WeakPolarHBondContact O-CG2 3.43Å; V40-V47 PolarHBondContact O-N 2.95Å; L42-V47 HydrophobicContact CB-CG1 4.21Å; L42-V47 HydrophobicContact CD1-CG1 3.93Å; L42-V47 HydrophobicContact CG-CG1 3.92Å; L42-V47 HydrophobicContact CG-CG2 4.21Å; E45-V47 PolarHBondContact O-N 3.03Å; V47-F65 HydrophobicContact CB-CZ 4.13Å; V47-F65 HydrophobicContact CG2-CE1 3.79Å; V47-F65 HydrophobicContact CG2-CZ 3.8Å; V47-V663 HydrophobicContact CB-CG2 4Å; V47-V663 HydrophobicContact CG1-CB 4.46Å; V47-V663 HydrophobicContact CG1-CG2 3.64Å |
| 48 | F | 89 | Confident | 88.4 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 19% | 0.193 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 154.1 | 178.1 | -176.4 | -103.4 | 0 | 0 | 0 | 111.6 | I18 T39 V40 T50 E63 F65 | I18-F48 HydrophobicContact CD1-CD1 4.02Å; I18-F48 HydrophobicContact CD1-CE1 3.98Å; T39-F48 CarbonylContact C-O 3.54Å; T39-F48 VanDerWaalsContact CA-O 3.28Å; T39-F48 WeakPolarHBondContact CA-O 3.12Å; V40-F48 HydrophobicContact CB-CB 4.03Å; V40-F48 HydrophobicContact CG2-CB 4.12Å; V40-F48 HydrophobicContact CG2-CD1 4.04Å; V40-F48 PolarHBondContact N-O 2.76Å; V40-F48 PolarHBondContact O-N 3.41Å; F48-T50 HydrophobicContact CE1-CG2 4.04Å; F48-E63 HydrophobicContact CE1-CB 4.49Å; F48-E63 HydrophobicContact CZ-CB 4.48Å; F48-F65 HydrophobicContact CB-CB 4.47Å; F48-F65 HydrophobicContact CB-CD1 4Å; F48-F65 HydrophobicContact CB-CD2 3.5Å; F48-F65 HydrophobicContact CB-CE1 4.04Å; F48-F65 HydrophobicContact CB-CE2 3.57Å; F48-F65 HydrophobicContact CB-CG 3.72Å; F48-F65 HydrophobicContact CB-CZ 3.81Å; F48-F65 HydrophobicContact CD1-CB 3.85Å; F48-F65 HydrophobicContact CD1-CD2 4.22Å; F48-F65 HydrophobicContact CD1-CG 4.04Å; F48-F65 HydrophobicContact CD2-CB 4.24Å; F48-F65 AromaticContact CD2-CD2 3.31Å; F48-F65 HydrophobicContact CD2-CD2 3.31Å; F48-F65 AromaticContact CD2-CE2 3.88Å; F48-F65 HydrophobicContact CD2-CE2 3.88Å; F48-F65 AromaticContact CD2-CG 3.97Å; F48-F65 HydrophobicContact CD2-CG 3.97Å; F48-F65 HydrophobicContact CE1-CB 4.1Å; F48-F65 HydrophobicContact CE2-CB 4.47Å; F48-F65 HydrophobicContact CE2-CD2 4.07Å; F48-F65 HydrophobicContact CG-CB 3.92Å; F48-F65 HydrophobicContact CG-CD1 4.37Å; F48-F65 AromaticContact CG-CD2 3.4Å; F48-F65 HydrophobicContact CG-CD2 3.4Å; F48-F65 VanDerWaalsContact CG-CD2 3.4Å; F48-F65 AromaticContact CG-CE2 3.96Å; F48-F65 HydrophobicContact CG-CE2 3.96Å; F48-F65 AromaticContact CG-CG 3.63Å; F48-F65 HydrophobicContact CG-CG 3.63Å; F48-F65 HydrophobicContact CZ-CB 4.41Å |
| 49 | R | 89.6 | Confident | 88.2 | Confident | 123 Ų | 123 | 44.9 Ų | 44.9 | 46% | 0.464 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 130.2 | 177.3 | -177.8 | -176.2 | -61.7 | -157.8 | -5.6 | 109.9 | Y37 C38 T39 E46 | Y37-R49 HydrophobicContact CD2-CG 3.69Å; Y37-R49 HydrophobicContact CE2-CG 4.09Å; C38-R49 WeakPolarHBondContact O-CA 3.43Å; T39-R49 HydrophobicContact CG2-CB 4.37Å; T39-R49 HydrophobicContact CG2-CG 4.14Å; E46-R49 VanDerWaalsContact CD-NH2 3.32Å; E46-R49 WeakPolarHBondContact OE1-CB 3.42Å; E46-R49 IonicContact OE1-CZ 3.96Å; E46-R49 VanDerWaalsContact OE1-CZ 3.25Å; E46-R49 IonicContact OE1-NE 3.7Å; E46-R49 PolarHBondContact OE1-NE 2.57Å; E46-R49 IonicContact OE1-NH2 2.86Å; E46-R49 PolarHBondContact OE1-NH2 3.49Å; E46-R49 IonicContact OE2-CZ 3.45Å; E46-R49 IonicContact OE2-NE 2.86Å; E46-R49 IonicContact OE2-NH2 3.93Å; E46-R49 PolarHBondContact OE2-NH2 2.99Å |
| 50 | T | 88.5 | Confident | 88.1 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 165.4 | 172.6 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | I18 C38 F48 Y61 E63 | I18-T50 HydrophobicContact CB-CG2 4.46Å; I18-T50 HydrophobicContact CD1-CG2 3.57Å; I18-T50 HydrophobicContact CG2-CG2 4.26Å; C38-T50 HydrophobicContact CB-CG2 3.9Å; C38-T50 PolarHBondContact N-OG1 3.45Å; C38-T50 PolarHBondContact O-N 3.14Å; C38-T50 PolarHBondContact O-OG1 2.9Å; F48-T50 HydrophobicContact CE1-CG2 4.04Å; T50-Y61 HydrophobicContact CG2-CD1 4.23Å; T50-Y61 HydrophobicContact CG2-CG 4.21Å; T50-Y61 WeakPolarHBondContact OG1-CD1 3.39Å; T50-E63 VanDerWaalsContact CA-OE1 3.27Å; T50-E63 WeakPolarHBondContact CA-OE1 3.4Å; T50-E63 VanDerWaalsContact CB-OE1 3.26Å; T50-E63 WeakPolarHBondContact CB-OE1 3.26Å; T50-E63 HydrophobicContact CG2-CB 4.41Å |
| 51 | K | 84.2 | Confident | 87.8 | Confident | 90 Ų | 90 | 52.2 Ų | 52.2 | 39% | 0.391 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 156.7 | 163.4 | -65.3 | -178.9 | -176.3 | 177.1 | 0 | 110.9 | E63 H502 | K51-E63 PolarHBondContact N-OE1 3.14Å; K51-H502 WeakPolarHBondContact CE-ND1 3.48Å |
| 52 | I | 86.6 | Confident | 87.4 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 32% | 0.323 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 128.4 | 172.9 | -62.5 | 143.6 | 0 | 0 | 0 | 108.3 | D35 C36 Y37 E54 | D35-I52 HydrophobicContact CB-CG2 3.97Å; C36-I52 CarbonylContact O-C 3.49Å; C36-I52 WeakPolarHBondContact O-CA 3.49Å; Y37-I52 HydrophobicContact CD1-CG1 3.81Å; Y37-I52 HydrophobicContact CG-CG1 4.19Å; I52-E54 HydrophobicContact CG2-CG 4.18Å |
| 53 | V | 85.5 | Confident | 87.1 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 22% | 0.218 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -100.8 | 108 | 170.3 | -178.6 | 0 | 0 | 0 | 0 | 107.2 | D35 C36 P59 Y61 | D35-V53 CarbonylContact C-O 3.49Å; D35-V53 WeakPolarHBondContact CA-O 3.49Å; C36-V53 PolarHBondContact N-O 3.23Å; C36-V53 PolarHBondContact O-N 2.91Å; V53-P59 HydrophobicContact CB-CB 3.72Å; V53-P59 HydrophobicContact CG1-CB 3.83Å; V53-P59 HydrophobicContact CG2-CB 4.09Å; V53-Y61 HydrophobicContact CG2-CD1 3.84Å; V53-Y61 HydrophobicContact CG2-CE1 4Å |
| 54 | E | 87.3 | Confident | 87 | Confident | 123 Ų | 123 | 59.6 Ų | 59.6 | 58% | 0.575 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 147.2 | -175.3 | -62.7 | -179 | 174.7 | 0 | 0 | 112 | D35 I52 S56 | D35-E54 VanDerWaalsContact OD1-CA 3.23Å; D35-E54 WeakPolarHBondContact OD1-CA 3.47Å; I52-E54 HydrophobicContact CG2-CG 4.18Å; E54-S56 PolarHBondContact O-N 2.78Å |
| 55 | K | 85.4 | Confident | 87.2 | Confident | 135 Ų | 135 | 57.8 Ų | 57.8 | 59% | 0.587 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 46 | 171.3 | -58.5 | 175.8 | -177 | 171.7 | 0 | 114.9 | M33 R34 D35 | M33-K55 HydrophobicContact CB-CB 3.99Å; M33-K55 HydrophobicContact CB-CG 4.47Å; M33-K55 HydrophobicContact CG-CB 4.35Å; R34-K55 CarbonylContact O-C 3.26Å; R34-K55 WeakPolarHBondContact O-CA 3.39Å; R34-K55 PolarHBondContact O-N 2.75Å; D35-K55 PolarHBondContact OD1-N 2.8Å |
| 56 | S | 86.1 | Confident | 87.1 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | trans | -136.4 | 137.5 | -179.8 | -173 | 0 | 0 | 0 | 0 | 113.2 | R34 E54 C58 | R34-S56 PolarHBondContact O-N 2.78Å; E54-S56 PolarHBondContact O-N 2.78Å; S56-C58 PolarHBondContact OG-N 2.84Å; S56-C58 VanDerWaalsContact OG-N 3.07Å; S56-C58 PolarHBondContact OG-O 2.63Å | ||
| 57 | L | 87.2 | Confident | 86.8 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -95.7 | -4.7 | 167.9 | -56.9 | -178 | 0 | 0 | 0 | 112.6 | I24 P26 M33 R34 | I24-L57 WeakPolarHBondContact CB-O 3.29Å; I24-L57 HydrophobicContact CG2-CD2 4.47Å; I24-L57 PolarHBondContact N-O 2.85Å; I24-L57 VanDerWaalsContact N-O 3.13Å; P26-L57 HydrophobicContact CB-CD1 4.23Å; M33-L57 HydrophobicContact SD-CG 4.22Å; R34-L57 HydrophobicContact CB-CD2 4.41Å; R34-L57 HydrophobicContact CG-CD2 4.1Å |
| 58 | C | 89.4 | Confident | 86.4 | Confident | 59 Ų | 59 | 60 Ų | 60 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -131.3 | 64.1 | 174.1 | -63.2 | 0 | 0 | 0 | 0 | 109.4 | A21 K22 S56 F60 | A21-C58 CarbonylContact O-C 3.54Å; A21-C58 VanDerWaalsContact O-C 3.26Å; A21-C58 WeakPolarHBondContact O-CA 3.41Å; K22-C58 HydrophobicContact CG-CB 4.34Å; S56-C58 PolarHBondContact OG-N 2.84Å; S56-C58 VanDerWaalsContact OG-N 3.07Å; S56-C58 PolarHBondContact OG-O 2.63Å; C58-F60 PolarHBondContact O-N 2.82Å |
| 59 | P | 89 | Confident | 86.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -68.5 | 125.8 | -174 | 29.5 | -36 | 0 | 0 | 0 | 110.5 | E20 A21 I24 C36 V53 Y61 | E20-P59 CarbonylContact C-O 3.58Å; E20-P59 VanDerWaalsContact CA-O 3.26Å; E20-P59 WeakPolarHBondContact CA-O 3.31Å; A21-P59 HydrophobicContact CB-CG 3.96Å; A21-P59 PolarHBondContact N-O 2.78Å; I24-P59 HydrophobicContact CD1-CG 3.67Å; C36-P59 HydrophobicContact CB-CB 3.99Å; C36-P59 HydrophobicContact CB-CG 3.74Å; V53-P59 HydrophobicContact CB-CB 3.72Å; V53-P59 HydrophobicContact CG1-CB 3.83Å; V53-P59 HydrophobicContact CG2-CB 4.09Å; P59-Y61 HydrophobicContact CB-CE1 4.02Å; P59-Y61 HydrophobicContact CB-CE2 4.36Å; P59-Y61 HydrophobicContact CG-CE1 4.37Å; P59-Y61 HydrophobicContact CG-CE2 4.08Å; P59-Y61 VanDerWaalsContact CG-OH 3.32Å; P59-Y61 WeakPolarHBondContact CG-OH 3.44Å | ||
| 60 | F | 90.3 | Very high | 85.5 | Confident | 137 Ų | 137 | 52.4 Ų | 52.4 | 60% | 0.601 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 114.8 | 170.3 | 179.6 | -91 | 0 | 0 | 0 | 108.8 | E20 C58 | E20-F60 HydrophobicContact CB-CB 4.29Å; E20-F60 HydrophobicContact CB-CD2 3.91Å; C58-F60 PolarHBondContact O-N 2.82Å |
| 61 | Y | 88.9 | Confident | 85.1 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -52.4 | -179.7 | -54.6 | -70.7 | 0 | 0 | 0 | 110.5 | I18 G19 A21 C38 T50 V53 P59 E63 L283 | I18-Y61 HydrophobicContact CG2-CD2 3.72Å; I18-Y61 HydrophobicContact CG2-CG 4.14Å; G19-Y61 PolarHBondContact O-N 2.89Å; A21-Y61 HydrophobicContact CB-CE2 4.37Å; C38-Y61 HydrophobicContact CB-CD2 4.34Å; C38-Y61 HydrophobicContact CB-CE1 4.33Å; C38-Y61 HydrophobicContact CB-CE2 3.98Å; T50-Y61 HydrophobicContact CG2-CD1 4.23Å; T50-Y61 HydrophobicContact CG2-CG 4.21Å; T50-Y61 WeakPolarHBondContact OG1-CD1 3.39Å; V53-Y61 HydrophobicContact CG2-CD1 3.84Å; V53-Y61 HydrophobicContact CG2-CE1 4Å; P59-Y61 HydrophobicContact CB-CE1 4.02Å; P59-Y61 HydrophobicContact CB-CE2 4.36Å; P59-Y61 HydrophobicContact CG-CE1 4.37Å; P59-Y61 HydrophobicContact CG-CE2 4.08Å; P59-Y61 VanDerWaalsContact CG-OH 3.32Å; P59-Y61 WeakPolarHBondContact CG-OH 3.44Å; Y61-E63 PolarHBondContact O-N 2.84Å; Y61-L283 HydrophobicContact CE2-CD1 4.25Å |
| 62 | G | 84.7 | Confident | 84.8 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.7 | 28 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | I18 G19 | I18-G62 WeakPolarHBondContact O-CA 3.43Å; I18-G62 PolarHBondContact O-N 2.92Å; G19-G62 PolarHBondContact O-N 3.1Å |
| 63 | E | 84.6 | Confident | 84.8 | Confident | 46 Ų | 46 | 53.4 Ų | 53.4 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 138.8 | -176.6 | -65.5 | -166.5 | -119.6 | 0 | 0 | 111.7 | I18 F48 T50 K51 Y61 | I18-E63 PolarHBondContact N-O 2.85Å; I18-E63 PolarHBondContact O-N 2.77Å; F48-E63 HydrophobicContact CE1-CB 4.49Å; F48-E63 HydrophobicContact CZ-CB 4.48Å; T50-E63 VanDerWaalsContact CA-OE1 3.27Å; T50-E63 WeakPolarHBondContact CA-OE1 3.4Å; T50-E63 VanDerWaalsContact CB-OE1 3.26Å; T50-E63 WeakPolarHBondContact CB-OE1 3.26Å; T50-E63 HydrophobicContact CG2-CB 4.41Å; K51-E63 PolarHBondContact N-OE1 3.14Å; Y61-E63 PolarHBondContact O-N 2.84Å |
| 64 | D | 85 | Confident | 84.8 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.3 | 174 | -67 | -33 | 0 | 0 | 0 | 109.6 | I16 K17 | I16-D64 CarbonylContact O-C 3.46Å; I16-D64 WeakPolarHBondContact O-CA 3.48Å; K17-D64 VanDerWaalsContact CB-OD1 3.26Å; K17-D64 WeakPolarHBondContact CB-OD1 3.31Å; K17-D64 WeakPolarHBondContact CD-OD1 3.13Å; K17-D64 WeakPolarHBondContact CG-OD1 3.42Å |
| 65 | F | 85.4 | Confident | 84.9 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.4 | 174.3 | 172.6 | -116.5 | 0 | 0 | 0 | 109.8 | K15 I16 V40 V47 F48 C67 | K15-F65 CarbonylContact C-O 3.53Å; K15-F65 WeakPolarHBondContact CA-O 3.2Å; I16-F65 HydrophobicContact CB-CB 4.47Å; I16-F65 HydrophobicContact CD1-CD1 4.01Å; I16-F65 HydrophobicContact CG1-CD1 4.42Å; I16-F65 PolarHBondContact N-O 2.89Å; I16-F65 PolarHBondContact O-N 3.37Å; V40-F65 HydrophobicContact CB-CD1 4.47Å; V40-F65 HydrophobicContact CG1-CD1 4.28Å; V40-F65 HydrophobicContact CG1-CE1 4.21Å; V40-F65 HydrophobicContact CG2-CD1 4.35Å; V47-F65 HydrophobicContact CB-CZ 4.13Å; V47-F65 HydrophobicContact CG2-CE1 3.79Å; V47-F65 HydrophobicContact CG2-CZ 3.8Å; F48-F65 HydrophobicContact CB-CB 4.47Å; F48-F65 HydrophobicContact CB-CD1 4Å; F48-F65 HydrophobicContact CB-CD2 3.5Å; F48-F65 HydrophobicContact CB-CE1 4.04Å; F48-F65 HydrophobicContact CB-CE2 3.57Å; F48-F65 HydrophobicContact CB-CG 3.72Å; F48-F65 HydrophobicContact CB-CZ 3.81Å; F48-F65 HydrophobicContact CD1-CB 3.85Å; F48-F65 HydrophobicContact CD1-CD2 4.22Å; F48-F65 HydrophobicContact CD1-CG 4.04Å; F48-F65 HydrophobicContact CD2-CB 4.24Å; F48-F65 AromaticContact CD2-CD2 3.31Å; F48-F65 HydrophobicContact CD2-CD2 3.31Å; F48-F65 AromaticContact CD2-CE2 3.88Å; F48-F65 HydrophobicContact CD2-CE2 3.88Å; F48-F65 AromaticContact CD2-CG 3.97Å; F48-F65 HydrophobicContact CD2-CG 3.97Å; F48-F65 HydrophobicContact CE1-CB 4.1Å; F48-F65 HydrophobicContact CE2-CB 4.47Å; F48-F65 HydrophobicContact CE2-CD2 4.07Å; F48-F65 HydrophobicContact CG-CB 3.92Å; F48-F65 HydrophobicContact CG-CD1 4.37Å; F48-F65 AromaticContact CG-CD2 3.4Å; F48-F65 HydrophobicContact CG-CD2 3.4Å; F48-F65 VanDerWaalsContact CG-CD2 3.4Å; F48-F65 AromaticContact CG-CE2 3.96Å; F48-F65 HydrophobicContact CG-CE2 3.96Å; F48-F65 AromaticContact CG-CG 3.63Å; F48-F65 HydrophobicContact CG-CG 3.63Å; F48-F65 HydrophobicContact CZ-CB 4.41Å; F65-C67 HydrophobicContact CE1-CB 4.05Å; F65-C67 WeakPolarHBondContact CE1-SG 3.32Å; F65-C67 HydrophobicContact CE2-CB 4.06Å; F65-C67 HydrophobicContact CZ-CB 3.5Å; F65-C67 VanDerWaalsContact CZ-CB 3.5Å; F65-C67 WeakPolarHBondContact CZ-SG 2.99Å |
| 66 | Y | 84.8 | Confident | 85.3 | Confident | 119 Ų | 119 | 43.1 Ų | 43.1 | 47% | 0.467 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133 | 172.8 | 171.1 | -99.6 | 0 | 0 | 0 | 108.9 | V14 K15 | V14-Y66 WeakPolarHBondContact O-CA 3.47Å; K15-Y66 HydrophobicContact CB-CD2 4.07Å |
| 67 | C | 81.6 | Confident | 85.7 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.02 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 151.4 | 168.5 | 68.7 | 0 | 0 | 0 | 0 | 112.9 | S13 V14 F65 V663 | S13-C67 VanDerWaalsContact CA-O 3.3Å; S13-C67 WeakPolarHBondContact CA-O 3.2Å; S13-C67 WeakPolarHBondContact CB-O 3.27Å; V14-C67 VanDerWaalsContact CG1-SG 3.57Å; V14-C67 PolarHBondContact N-O 3.08Å; V14-C67 PolarHBondContact O-N 3.41Å; F65-C67 HydrophobicContact CE1-CB 4.05Å; F65-C67 WeakPolarHBondContact CE1-SG 3.32Å; F65-C67 HydrophobicContact CE2-CB 4.06Å; F65-C67 HydrophobicContact CZ-CB 3.5Å; F65-C67 VanDerWaalsContact CZ-CB 3.5Å; F65-C67 WeakPolarHBondContact CZ-SG 2.99Å; C67-V663 HydrophobicContact CB-CB 4.47Å; C67-V663 HydrophobicContact CB-CG1 3.49Å; C67-V663 VanDerWaalsContact CB-CG1 3.49Å; C67-V663 HydrophobicContact CB-CG2 4.1Å |
| 68 | E | 81 | Confident | 86.1 | Confident | 34 Ų | 34 | 40 Ų | 40 | 16% | 0.159 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 137 | 160 | -61.4 | -159.4 | 153.1 | 0 | 0 | 109.5 | Q12 P70 R728 | Q12-E68 CarbonylContact O-C 3.57Å; Q12-E68 WeakPolarHBondContact O-CA 3.43Å; E68-P70 WeakPolarHBondContact O-CD 3.45Å; E68-R728 IonicContact OE1-CZ 2.64Å; E68-R728 IonicContact OE1-NH1 3.86Å; E68-R728 PolarHBondContact OE1-NH1 2.97Å; E68-R728 IonicContact OE1-NH2 2.59Å; E68-R728 PolarHBondContact OE1-NH2 2.96Å |
| 69 | I | 85.8 | Confident | 86.3 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 116.6 | -177.2 | -62.5 | -175.8 | 0 | 0 | 0 | 108.5 | Q12 V14 L42 R71 F73 Y289 | Q12-I69 HydrophobicContact CB-CB 3.98Å; Q12-I69 PolarHBondContact O-N 2.98Å; V14-I69 HydrophobicContact CB-CD1 4.26Å; V14-I69 HydrophobicContact CG1-CD1 4.17Å; V14-I69 HydrophobicContact CG1-CG1 4.39Å; L42-I69 HydrophobicContact CD1-CG1 4.2Å; L42-I69 HydrophobicContact CD1-CG2 4.21Å; L42-I69 HydrophobicContact CD2-CD1 4.13Å; I69-R71 WeakPolarHBondContact CG2-O 3.22Å; I69-F73 HydrophobicContact CD1-CD1 4.08Å; I69-F73 HydrophobicContact CD1-CE1 3.43Å; I69-F73 VanDerWaalsContact CD1-CE1 3.43Å; I69-F73 HydrophobicContact CD1-CZ 3.84Å; I69-F73 HydrophobicContact CG2-CD1 3.7Å; I69-F73 HydrophobicContact CG2-CE1 3.97Å; I69-Y289 HydrophobicContact CD1-CD2 4.43Å; I69-Y289 HydrophobicContact CD1-CE2 3.91Å |
| 70 | P | 73.9 | Confident | 86.4 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | trans | -93.1 | -1.5 | -167.4 | 37.3 | -38.7 | 0 | 0 | 0 | 114.7 | E68 R634 C662 R666 | E68-P70 WeakPolarHBondContact O-CD 3.45Å; P70-R634 PolarHBondContact O-NH2 3.34Å; P70-C662 HydrophobicContact CG-CB 3.85Å; P70-R666 HydrophobicContact CB-CB 3.63Å; P70-R666 HydrophobicContact CB-CG 3.76Å; P70-R666 HydrophobicContact CG-CB 4.24Å | ||
| 71 | R | 80.1 | Confident | 86.4 | Confident | 73 Ų | 73 | 32.7 Ų | 32.7 | 28% | 0.275 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -154.2 | 162.4 | -175.4 | 63.5 | 172.3 | 177.3 | 89.7 | -3.7 | 110.5 | L42 D43 E45 I69 | L42-R71 PolarHBondContact O-NH2 2.87Å; D43-R71 IonicContact OD2-CZ 3.56Å; D43-R71 IonicContact OD2-NH1 3.91Å; D43-R71 PolarHBondContact OD2-NH1 3.37Å; D43-R71 IonicContact OD2-NH2 3.64Å; E45-R71 IonicContact OE2-CZ 3.75Å; E45-R71 IonicContact OE2-NE 2.71Å; E45-R71 PolarHBondContact OE2-NE 3.45Å; E45-R71 IonicContact OE2-NH2 3.23Å; E45-R71 PolarHBondContact OE2-NH2 2.95Å; I69-R71 WeakPolarHBondContact CG2-O 3.22Å |
| 72 | S | 79.3 | Confident | 86.4 | Confident | 94 Ų | 94 | 32.1 Ų | 32.1 | 66% | 0.657 | 16% | 0.164 | S | C | * | . | trans | -62.6 | 146.2 | 166.9 | 57.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 73 | F | 86.3 | Confident | 86.2 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 6% | 0.057 | 17% | 0.168 | C | C | . | . | trans | -142.4 | 155.4 | 176.8 | 71.5 | -77.5 | 0 | 0 | 0 | 108.7 | L42 D43 I69 L76 K100 L103 Y289 | L42-F73 HydrophobicContact CD2-CD2 4.11Å; L42-F73 HydrophobicContact CD2-CE2 4.4Å; L42-F73 HydrophobicContact CD2-CG 4.19Å; D43-F73 WeakPolarHBondContact OD2-CA 3.48Å; I69-F73 HydrophobicContact CD1-CD1 4.08Å; I69-F73 HydrophobicContact CD1-CE1 3.43Å; I69-F73 VanDerWaalsContact CD1-CE1 3.43Å; I69-F73 HydrophobicContact CD1-CZ 3.84Å; I69-F73 HydrophobicContact CG2-CD1 3.7Å; I69-F73 HydrophobicContact CG2-CE1 3.97Å; F73-L76 HydrophobicContact CE2-CB 4.2Å; F73-K100 HydrophobicContact CD1-CD 4.42Å; F73-K100 HydrophobicContact CD2-CB 4.43Å; F73-K100 HydrophobicContact CE1-CD 4.08Å; F73-K100 HydrophobicContact CE1-CG 4.2Å; F73-K100 HydrophobicContact CE2-CB 3.96Å; F73-K100 HydrophobicContact CE2-CG 4.2Å; F73-K100 HydrophobicContact CZ-CB 4.14Å; F73-K100 HydrophobicContact CZ-CD 4.24Å; F73-K100 HydrophobicContact CZ-CG 3.85Å; F73-K100 WeakPolarHBondContact O-CD 3.34Å; F73-L103 HydrophobicContact CE2-CD1 3.86Å; F73-L103 HydrophobicContact CZ-CD1 3.62Å; F73-Y289 HydrophobicContact CE1-CE2 4.04Å; F73-Y289 AromaticContact CZ-CE2 3.93Å; F73-Y289 HydrophobicContact CZ-CE2 3.93Å | ||
| 74 | R | 84.8 | Confident | 85.5 | Confident | 44 Ų | 44 | 34.9 Ų | 34.9 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -101.2 | -40.1 | 178.9 | -170.7 | -179.3 | 172.7 | -175.1 | -1.2 | 111.1 | D43 K100 L265 D816 | D43-R74 WeakPolarHBondContact OD1-CA 3.35Å; D43-R74 PolarHBondContact OD1-N 3.29Å; R74-K100 PolarHBondContact O-N 2.78Å; R74-L265 PolarHBondContact NH1-O 3.22Å; R74-L265 VanDerWaalsContact NH1-O 3.11Å; R74-D816 IonicContact CZ-OD2 3.31Å; R74-D816 IonicContact NH2-OD1 3Å; R74-D816 IonicContact NH2-OD2 3.19Å; R74-D816 PolarHBondContact NH2-OD2 3.36Å |
| 75 | H | 89.4 | Confident | 84 | Confident | 34 Ų | 34 | 35.6 Ų | 35.6 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137.5 | -176.8 | -59 | 97.5 | 0 | 0 | 0 | 112.2 | D43 V98 | D43-H75 PolarHBondContact N-O 3.2Å; D43-H75 PolarHBondContact OD1-N 3.07Å; H75-V98 WeakPolarHBondContact CA-O 3.5Å |
| 76 | L | 93.8 | Very high | 82.4 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 110.9 | 162.1 | -179.4 | 66.3 | 0 | 0 | 0 | 107.3 | V14 I16 V40 L42 F73 F78 V98 L103 I287 | V14-L76 HydrophobicContact CG2-CD2 4.06Å; I16-L76 HydrophobicContact CD1-CD1 4.14Å; I16-L76 HydrophobicContact CD1-CD2 3.96Å; V40-L76 HydrophobicContact CG1-CD1 3.77Å; L42-L76 HydrophobicContact CD2-CD1 3.72Å; F73-L76 HydrophobicContact CE2-CB 4.2Å; L76-F78 HydrophobicContact CD2-CE2 4.18Å; L76-F78 HydrophobicContact CD2-CZ 3.83Å; L76-F78 HydrophobicContact CG-CE2 3.94Å; L76-F78 HydrophobicContact CG-CZ 3.84Å; L76-V98 PolarHBondContact N-O 2.73Å; L76-V98 PolarHBondContact O-N 2.91Å; L76-L103 HydrophobicContact CB-CD2 4.22Å; L76-L103 HydrophobicContact CD2-CD2 3.81Å; L76-I287 HydrophobicContact CD2-CD1 4.43Å; L76-I287 HydrophobicContact CD2-CG2 4.01Å |
| 77 | S | 94.4 | Very high | 81.1 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.2 | -172.8 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | N41 V96 | N41-S77 PolarHBondContact N-O 3.45Å; N41-S77 PolarHBondContact O-N 2.83Å; S77-V96 CarbonylContact C-O 3.56Å; S77-V96 VanDerWaalsContact CA-O 3.27Å; S77-V96 WeakPolarHBondContact CA-O 3.38Å |
| 78 | F | 95.4 | Very high | 79.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.6 | 177.5 | -54.7 | -90.4 | 0 | 0 | 0 | 108.4 | I16 T39 V40 L76 K95 V96 L283 L285 I287 | I16-F78 HydrophobicContact CD1-CE1 3.83Å; I16-F78 HydrophobicContact CD1-CZ 3.91Å; I16-F78 HydrophobicContact CG2-CE1 3.75Å; I16-F78 HydrophobicContact CG2-CZ 4.16Å; T39-F78 VanDerWaalsContact O-CA 3.23Å; T39-F78 WeakPolarHBondContact O-CA 3.48Å; V40-F78 HydrophobicContact CB-CE1 4.45Å; V40-F78 HydrophobicContact CG1-CD1 4.44Å; V40-F78 HydrophobicContact CG1-CE1 4Å; V40-F78 HydrophobicContact CG2-CD1 3.99Å; V40-F78 HydrophobicContact CG2-CE1 3.91Å; L76-F78 HydrophobicContact CD2-CE2 4.18Å; L76-F78 HydrophobicContact CD2-CZ 3.83Å; L76-F78 HydrophobicContact CG-CE2 3.94Å; L76-F78 HydrophobicContact CG-CZ 3.84Å; F78-K95 CarbonylContact O-C 3.56Å; F78-K95 WeakPolarHBondContact O-CA 3.18Å; F78-K95 WeakPolarHBondContact O-CB 3.24Å; F78-V96 HydrophobicContact CB-CB 4.31Å; F78-V96 HydrophobicContact CD2-CB 4.27Å; F78-V96 HydrophobicContact CD2-CG1 4.23Å; F78-V96 PolarHBondContact N-O 2.86Å; F78-V96 PolarHBondContact O-N 2.73Å; F78-L283 HydrophobicContact CB-CD2 3.8Å; F78-L283 HydrophobicContact CG-CD2 4.39Å; F78-L285 HydrophobicContact CD1-CD1 4.04Å; F78-L285 HydrophobicContact CD1-CD2 4.08Å; F78-L285 HydrophobicContact CD2-CD1 3.48Å; F78-L285 VanDerWaalsContact CD2-CD1 3.48Å; F78-L285 HydrophobicContact CE1-CD1 4.1Å; F78-L285 HydrophobicContact CE1-CD2 4.13Å; F78-L285 HydrophobicContact CE2-CD1 3.54Å; F78-L285 HydrophobicContact CG-CD1 3.73Å; F78-L285 HydrophobicContact CG-CD2 4.48Å; F78-L285 HydrophobicContact CZ-CD1 3.84Å; F78-I287 HydrophobicContact CE2-CD1 3.85Å; F78-I287 HydrophobicContact CZ-CD1 3.86Å; F78-I287 HydrophobicContact CZ-CG1 4.26Å |
| 79 | Y | 93.3 | Very high | 78.3 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133.1 | 179.2 | -62.2 | -97.9 | 0 | 0 | 0 | 109.6 | C38 T39 N41 F81 I92 K95 V118 E123 | C38-Y79 CarbonylContact C-O 3.59Å; C38-Y79 VanDerWaalsContact CA-O 3.3Å; C38-Y79 WeakPolarHBondContact CA-O 3.34Å; T39-Y79 PolarHBondContact N-O 3.34Å; T39-Y79 PolarHBondContact O-N 2.77Å; T39-Y79 VanDerWaalsContact O-N 3.09Å; N41-Y79 HydrophobicContact CB-CD2 4.26Å; N41-Y79 HydrophobicContact CB-CE2 3.92Å; Y79-F81 HydrophobicContact CG-CE2 4.38Å; Y79-I92 HydrophobicContact CD1-CG2 4.27Å; Y79-K95 HydrophobicContact CD1-CB 3.65Å; Y79-K95 HydrophobicContact CD1-CD 4.38Å; Y79-K95 HydrophobicContact CE1-CB 3.81Å; Y79-K95 HydrophobicContact CE1-CD 3.67Å; Y79-K95 HydrophobicContact CE1-CG 4.39Å; Y79-K95 HydrophobicContact CG-CB 4.26Å; Y79-V118 HydrophobicContact CD1-CG2 4.31Å; Y79-V118 HydrophobicContact CE1-CG1 4.42Å; Y79-V118 HydrophobicContact CE1-CG2 4.31Å; Y79-E123 WeakPolarHBondContact CE1-OE1 3.13Å; Y79-E123 VanDerWaalsContact OH-CD 3.29Å; Y79-E123 PolarHBondContact OH-OE1 2.96Å; Y79-E123 PolarHBondContact OH-OE2 3.46Å; Y79-E123 VanDerWaalsContact OH-OE2 3.05Å |
| 80 | I | 92.8 | Very high | 77.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.7 | 168.7 | -58.6 | -173.7 | 0 | 0 | 0 | 107.8 | A21 I24 C36 Y37 V93 G94 L115 L283 | A21-I80 HydrophobicContact CB-CD1 3.6Å; I24-I80 HydrophobicContact CD1-CD1 4.3Å; I24-I80 HydrophobicContact CD1-CG2 4.11Å; C36-I80 HydrophobicContact CB-CG2 4.42Å; Y37-I80 WeakPolarHBondContact O-CA 3.37Å; I80-V93 HydrophobicContact CB-CB 4.27Å; I80-V93 HydrophobicContact CG2-CB 4.08Å; I80-V93 HydrophobicContact CG2-CG2 4.2Å; I80-V93 PolarHBondContact O-N 3.34Å; I80-G94 PolarHBondContact N-O 3.04Å; I80-L115 HydrophobicContact CD1-CD1 3.62Å; I80-L115 HydrophobicContact CD1-CD2 3.81Å; I80-L115 HydrophobicContact CD1-CG 4.36Å; I80-L115 HydrophobicContact CG1-CD2 4.1Å; I80-L283 HydrophobicContact CD1-CD1 4.29Å |
| 81 | F | 90.1 | Very high | 77.5 | Confident | 31 Ų | 31 | 65.7 Ų | 65.7 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 147.2 | 175.7 | -73.1 | -91.4 | 0 | 0 | 0 | 110.3 | C36 Y37 T39 Y79 S91 I92 | C36-F81 CarbonylContact C-O 3.47Å; C36-F81 VanDerWaalsContact CA-O 3.24Å; C36-F81 WeakPolarHBondContact CA-O 3.38Å; Y37-F81 HydrophobicContact CD1-CB 3.91Å; Y37-F81 HydrophobicContact CD2-CB 4.1Å; Y37-F81 HydrophobicContact CD2-CD2 4.27Å; Y37-F81 HydrophobicContact CE1-CB 3.4Å; Y37-F81 VanDerWaalsContact CE1-CB 3.4Å; Y37-F81 HydrophobicContact CE1-CG 4.26Å; Y37-F81 HydrophobicContact CE2-CB 3.61Å; Y37-F81 AromaticContact CE2-CD2 3.58Å; Y37-F81 HydrophobicContact CE2-CD2 3.58Å; Y37-F81 HydrophobicContact CE2-CE2 4.42Å; Y37-F81 AromaticContact CE2-CG 3.75Å; Y37-F81 HydrophobicContact CE2-CG 3.75Å; Y37-F81 HydrophobicContact CG-CB 4.24Å; Y37-F81 AromaticContact CZ-CD2 3.94Å; Y37-F81 AromaticContact CZ-CG 3.58Å; Y37-F81 PolarHBondContact N-O 2.79Å; Y37-F81 PolarHBondContact O-N 2.83Å; Y37-F81 WeakPolarHBondContact OH-CB 3.39Å; Y37-F81 WeakPolarHBondContact OH-CG 3.48Å; T39-F81 HydrophobicContact CG2-CD2 3.83Å; T39-F81 HydrophobicContact CG2-CE2 3.69Å; Y79-F81 HydrophobicContact CG-CE2 4.38Å; F81-S91 WeakPolarHBondContact CA-O 3.39Å; F81-I92 HydrophobicContact CD1-CG1 3.72Å; F81-I92 HydrophobicContact CE1-CB 4.48Å; F81-I92 HydrophobicContact CE1-CD1 4.01Å; F81-I92 HydrophobicContact CE1-CG1 3.25Å; F81-I92 HydrophobicContact CZ-CD1 4.24Å; F81-I92 HydrophobicContact CZ-CG1 3.79Å |
| 82 | D | 87.4 | Confident | 77.8 | Confident | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.027 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 119.6 | 166.6 | -175.3 | 16.7 | 0 | 0 | 0 | 109 | Y27 R34 D35 D84 S90 S91 V93 | Y27-D82 VanDerWaalsContact CD2-OD2 3.31Å; Y27-D82 WeakPolarHBondContact CD2-OD2 3.12Å; R34-D82 WeakPolarHBondContact CB-OD1 3.27Å; R34-D82 WeakPolarHBondContact CD-OD2 3.44Å; R34-D82 VanDerWaalsContact CG-OD2 3.3Å; R34-D82 WeakPolarHBondContact CG-OD2 3.3Å; R34-D82 IonicContact CZ-OD2 3.9Å; R34-D82 IonicContact NE-OD2 3.85Å; R34-D82 IonicContact NH1-OD2 3.66Å; R34-D82 PolarHBondContact NH1-OD2 2.82Å; D35-D82 PolarHBondContact N-OD1 3.05Å; D82-D84 PolarHBondContact O-N 3.06Å; D82-S90 WeakPolarHBondContact O-CA 3.24Å; D82-S90 WeakPolarHBondContact O-CB 3.49Å; D82-S91 PolarHBondContact N-O 3.4Å; D82-S91 PolarHBondContact O-N 2.92Å; D82-S91 VanDerWaalsContact O-N 3.13Å; D82-V93 HydrophobicContact CB-CG2 3.95Å |
| 83 | R | 81.8 | Confident | 78.2 | Confident | 119 Ų | 119 | 62 Ų | 62 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | trans | -78.1 | 100.1 | 179.3 | -172.9 | -163.2 | -173.2 | -178.2 | -2.8 | 108.9 | D35 Y37 | D35-R83 HydrophobicContact CB-CB 4.12Å; D35-R83 PolarHBondContact O-N 2.95Å; Y37-R83 HydrophobicContact CD1-CB 4.48Å; Y37-R83 HydrophobicContact CE1-CB 4.32Å | ||
| 84 | D | 68.3 | Low | 78.4 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | trans | -81.7 | 122.2 | 172.7 | -165.4 | -32.3 | 0 | 0 | 0 | 110.1 | Y27 D82 F86 R87 | Y27-D84 PolarHBondContact OH-OD2 2.99Å; D82-D84 PolarHBondContact O-N 3.06Å; D84-F86 PolarHBondContact O-N 3.46Å; D84-F86 PolarHBondContact OD1-N 3.17Å; D84-R87 HydrophobicContact CB-CB 4.1Å; D84-R87 HydrophobicContact CB-CG 4.38Å; D84-R87 VanDerWaalsContact O-O 3.08Å | ||
| 85 | V | 55.1 | Low | 78.8 | Confident | 112 Ų | 112 | 59.7 Ų | 59.7 | 68% | 0.679 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.8 | 177.8 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 86 | F | 50.8 | Low | 79 | Confident | 191 Ų | 191 | 58.3 Ų | 58.3 | 84% | 0.838 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -10.8 | -174.2 | -59.4 | -77.5 | 0 | 0 | 0 | 114.2 | D84 | D84-F86 PolarHBondContact O-N 3.46Å; D84-F86 PolarHBondContact OD1-N 3.17Å |
| 87 | R | 57.3 | Low | 79 | Confident | 167 Ų | 167 | 60.2 Ų | 60.2 | 63% | 0.63 | 29% | 0.286 | S | S | * | . | trans | -109.2 | 139.8 | 173.8 | -63.5 | -176.7 | 173.1 | -167.7 | -0.3 | 110.1 | D84 D89 | D84-R87 HydrophobicContact CB-CB 4.1Å; D84-R87 HydrophobicContact CB-CG 4.38Å; D84-R87 VanDerWaalsContact O-O 3.08Å; R87-D89 PolarHBondContact O-N 3.27Å | ||
| 88 | R | 47 | Very low | 78.8 | Confident | 250 Ų | 250 | 60.2 Ų | 60.2 | 94% | 0.943 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -66.4 | -24.5 | 173.7 | -76.6 | -175.5 | -176.8 | 178.1 | 2.1 | 112.4 | ||
| 89 | D | 56.4 | Low | 78.5 | Confident | 132 Ų | 132 | 63.1 Ų | 63.1 | 71% | 0.706 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -114.1 | 122.9 | -178.7 | -56.1 | -42.1 | 0 | 0 | 0 | 110 | R87 | R87-D89 PolarHBondContact O-N 3.27Š|
| 90 | S | 65.9 | Low | 78.3 | Confident | 36 Ų | 36 | 65.6 Ų | 65.6 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 136.6 | 174.6 | -52.7 | 0 | 0 | 0 | 0 | 110.5 | Y37 D82 | Y37-S90 VanDerWaalsContact OH-CB 3.29Å; Y37-S90 WeakPolarHBondContact OH-CB 3.44Å; Y37-S90 PolarHBondContact OH-OG 2.9Å; D82-S90 WeakPolarHBondContact O-CA 3.24Å; D82-S90 WeakPolarHBondContact O-CB 3.49Å |
| 91 | S | 78.6 | Confident | 77.9 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 27% | 0.266 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 134.7 | 176.3 | 59.6 | 0 | 0 | 0 | 0 | 110.9 | F81 D82 | F81-S91 WeakPolarHBondContact CA-O 3.39Å; D82-S91 PolarHBondContact N-O 3.4Å; D82-S91 PolarHBondContact O-N 2.92Å; D82-S91 VanDerWaalsContact O-N 3.13Å |
| 92 | I | 85.7 | Confident | 77.8 | Confident | 76 Ų | 76 | 70.6 Ų | 70.6 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.5 | 174 | -59.3 | 166.3 | 0 | 0 | 0 | 108.9 | Y79 F81 V118 | Y79-I92 HydrophobicContact CD1-CG2 4.27Å; F81-I92 HydrophobicContact CD1-CG1 3.72Å; F81-I92 HydrophobicContact CE1-CB 4.48Å; F81-I92 HydrophobicContact CE1-CD1 4.01Å; F81-I92 HydrophobicContact CE1-CG1 3.25Å; F81-I92 HydrophobicContact CZ-CD1 4.24Å; F81-I92 HydrophobicContact CZ-CG1 3.79Å; I92-V118 HydrophobicContact CD1-CG1 4.33Å; I92-V118 HydrophobicContact CG2-CB 4.16Å; I92-V118 HydrophobicContact CG2-CG2 3.52Å |
| 93 | V | 87.9 | Confident | 77.9 | Confident | 15 Ų | 15 | 70.3 Ų | 70.3 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -47.4 | 175 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | I24 P25 I80 D82 | I24-V93 HydrophobicContact CG2-CG1 3.79Å; P25-V93 HydrophobicContact CG-CG1 4.37Å; I80-V93 HydrophobicContact CB-CB 4.27Å; I80-V93 HydrophobicContact CG2-CB 4.08Å; I80-V93 HydrophobicContact CG2-CG2 4.2Å; I80-V93 PolarHBondContact O-N 3.34Å; D82-V93 HydrophobicContact CB-CG2 3.95Å |
| 94 | G | 90.6 | Very high | 78.1 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | 172.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I80 Q116 | I80-G94 PolarHBondContact N-O 3.04Å; G94-Q116 WeakPolarHBondContact CA-O 3.49Å |
| 95 | K | 92.5 | Very high | 79 | Confident | 7 Ų | 7 | 75.3 Ų | 75.3 | 3% | 0.03 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 159 | 180 | 77.9 | -179.9 | -173.1 | -170.2 | 0 | 113.7 | F78 Y79 Q116 V118 S122 E123 | F78-K95 CarbonylContact O-C 3.56Å; F78-K95 WeakPolarHBondContact O-CA 3.18Å; F78-K95 WeakPolarHBondContact O-CB 3.24Å; Y79-K95 HydrophobicContact CD1-CB 3.65Å; Y79-K95 HydrophobicContact CD1-CD 4.38Å; Y79-K95 HydrophobicContact CE1-CB 3.81Å; Y79-K95 HydrophobicContact CE1-CD 3.67Å; Y79-K95 HydrophobicContact CE1-CG 4.39Å; Y79-K95 HydrophobicContact CG-CB 4.26Å; K95-Q116 PolarHBondContact N-O 2.93Å; K95-Q116 PolarHBondContact O-N 3.43Å; K95-V118 HydrophobicContact CB-CG2 3.82Å; K95-V118 HydrophobicContact CD-CG2 3.79Å; K95-V118 HydrophobicContact CG-CG2 3.81Å; K95-S122 VanDerWaalsContact NZ-CB 3.27Å; K95-S122 PolarHBondContact NZ-O 3.04Å; K95-S122 PolarHBondContact NZ-OG 2.86Å; K95-E123 WeakPolarHBondContact CD-OE1 3.11Å; K95-E123 IonicContact NZ-OE1 2.72Å; K95-E123 PolarHBondContact NZ-OE1 2.92Å |
| 96 | V | 94.4 | Very high | 80.6 | Confident | 6 Ų | 6 | 73.8 Ų | 73.8 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126 | 164.7 | 172.2 | 0 | 0 | 0 | 0 | 107 | S77 F78 V98 F113 L115 L283 L285 | S77-V96 CarbonylContact C-O 3.56Å; S77-V96 VanDerWaalsContact CA-O 3.27Å; S77-V96 WeakPolarHBondContact CA-O 3.38Å; F78-V96 HydrophobicContact CB-CB 4.31Å; F78-V96 HydrophobicContact CD2-CB 4.27Å; F78-V96 HydrophobicContact CD2-CG1 4.23Å; F78-V96 PolarHBondContact N-O 2.86Å; F78-V96 PolarHBondContact O-N 2.73Å; V96-V98 HydrophobicContact CG1-CG2 4.24Å; V96-F113 HydrophobicContact CB-CB 4.24Å; V96-F113 HydrophobicContact CG1-CB 3.55Å; V96-F113 HydrophobicContact CG1-CD1 3.81Å; V96-F113 HydrophobicContact CG1-CG 3.73Å; V96-F113 HydrophobicContact CG2-CB 3.62Å; V96-L115 HydrophobicContact CG2-CD2 3.92Å; V96-L283 HydrophobicContact CG2-CB 4.31Å; V96-L283 HydrophobicContact CG2-CD2 4.49Å; V96-L285 HydrophobicContact CG1-CD1 4.42Å |
| 97 | A | 92.3 | Very high | 82.3 | Confident | 40 Ų | 40 | 68 Ų | 68 | 33% | 0.331 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 119.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 98 | V | 92 | Very high | 83.5 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.8 | 177.3 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | H75 L76 V96 D102 L103 Y106 F113 I287 | H75-V98 WeakPolarHBondContact CA-O 3.5Å; L76-V98 PolarHBondContact N-O 2.73Å; L76-V98 PolarHBondContact O-N 2.91Å; V96-V98 HydrophobicContact CG1-CG2 4.24Å; V98-D102 HydrophobicContact CG1-CB 4.33Å; V98-L103 HydrophobicContact CB-CD2 4.17Å; V98-L103 HydrophobicContact CG1-CD2 3.76Å; V98-L103 HydrophobicContact CG1-CG 4.3Å; V98-Y106 HydrophobicContact CG1-CD2 3.99Å; V98-Y106 HydrophobicContact CG1-CE2 4.12Å; V98-F113 HydrophobicContact CG2-CD1 4.44Å; V98-F113 HydrophobicContact CG2-CE1 3.95Å; V98-F113 HydrophobicContact CG2-CZ 4.43Å; V98-I287 HydrophobicContact CG2-CD1 4.35Å |
| 99 | K | 89.1 | Confident | 85.5 | Confident | 61 Ų | 61 | 55.9 Ų | 55.9 | 27% | 0.265 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 144.5 | 175.6 | -65.3 | -173.6 | -180 | -170.2 | 0 | 110.1 | E101 D102 L103 D816 | K99-E101 HydrophobicContact CB-CG 3.85Å; K99-E101 HydrophobicContact CD-CG 4.47Å; K99-E101 PolarHBondContact O-N 2.9Å; K99-D102 HydrophobicContact CB-CB 4.4Å; K99-D102 PolarHBondContact O-N 2.72Å; K99-L103 PolarHBondContact O-N 2.92Å; K99-D816 IonicContact NZ-OD2 3.99Å; K99-D816 PolarHBondContact NZ-OD2 3.01Å |
| 100 | K | 87.8 | Confident | 87.1 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -50.1 | -44.1 | 175.6 | -179.6 | -177.2 | 173.5 | -172.8 | 0 | 111.8 | F73 R74 D102 L103 Y289 E291 | F73-K100 HydrophobicContact CD1-CD 4.42Å; F73-K100 HydrophobicContact CD2-CB 4.43Å; F73-K100 HydrophobicContact CE1-CD 4.08Å; F73-K100 HydrophobicContact CE1-CG 4.2Å; F73-K100 HydrophobicContact CE2-CB 3.96Å; F73-K100 HydrophobicContact CE2-CG 4.2Å; F73-K100 HydrophobicContact CZ-CB 4.14Å; F73-K100 HydrophobicContact CZ-CD 4.24Å; F73-K100 HydrophobicContact CZ-CG 3.85Å; F73-K100 WeakPolarHBondContact O-CD 3.34Å; R74-K100 PolarHBondContact O-N 2.78Å; K100-D102 PolarHBondContact O-N 2.68Å; K100-L103 HydrophobicContact CG-CD1 4.5Å; K100-L103 WeakPolarHBondContact O-CB 3.35Å; K100-L103 PolarHBondContact O-N 3.1Å; K100-Y289 VanDerWaalsContact CE-OH 3.28Å; K100-Y289 WeakPolarHBondContact CE-OH 3.39Å; K100-E291 WeakPolarHBondContact CE-OE1 3.48Å; K100-E291 IonicContact NZ-OE1 3.89Å; K100-E291 PolarHBondContact NZ-OE1 3.22Å |
| 101 | E | 84.4 | Confident | 88.5 | Confident | 105 Ų | 105 | 53.4 Ų | 53.4 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -63.9 | -23.7 | 178.9 | 56.9 | 173.4 | -147.4 | 0 | 0 | 114.4 | K99 K817 | K99-E101 HydrophobicContact CB-CG 3.85Å; K99-E101 HydrophobicContact CD-CG 4.47Å; K99-E101 PolarHBondContact O-N 2.9Å; E101-K817 IonicContact OE1-NZ 2.62Å; E101-K817 PolarHBondContact OE1-NZ 3.12Å |
| 102 | D | 88.1 | Confident | 89.3 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 17% | 0.166 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -96 | -11.2 | -178.3 | -67.7 | -40.7 | 0 | 0 | 0 | 112.6 | V98 K99 K100 Q104 K105 Y106 | V98-D102 HydrophobicContact CG1-CB 4.33Å; K99-D102 HydrophobicContact CB-CB 4.4Å; K99-D102 PolarHBondContact O-N 2.72Å; K100-D102 PolarHBondContact O-N 2.68Å; D102-Q104 PolarHBondContact O-N 3.09Å; D102-Q104 VanDerWaalsContact O-N 3.16Å; D102-K105 HydrophobicContact CB-CD 4.29Å; D102-K105 VanDerWaalsContact O-CB 3.3Å; D102-K105 WeakPolarHBondContact O-CB 3.43Å; D102-K105 PolarHBondContact O-N 3.14Å; D102-K105 WeakPolarHBondContact OD1-CE 3.41Å; D102-K105 IonicContact OD1-NZ 2.85Å; D102-K105 PolarHBondContact OD1-NZ 2.78Å; D102-Y106 HydrophobicContact CB-CE2 4.42Å; D102-Y106 VanDerWaalsContact O-CD2 3.31Å; D102-Y106 WeakPolarHBondContact O-CD2 3.46Å |
| 103 | L | 89.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.1 | -37.2 | -178.8 | -72.8 | 172.7 | 0 | 0 | 0 | 112.4 | F73 L76 V98 K99 K100 K105 Y106 H107 I287 Y289 | F73-L103 HydrophobicContact CE2-CD1 3.86Å; F73-L103 HydrophobicContact CZ-CD1 3.62Å; L76-L103 HydrophobicContact CB-CD2 4.22Å; L76-L103 HydrophobicContact CD2-CD2 3.81Å; V98-L103 HydrophobicContact CB-CD2 4.17Å; V98-L103 HydrophobicContact CG1-CD2 3.76Å; V98-L103 HydrophobicContact CG1-CG 4.3Å; K99-L103 PolarHBondContact O-N 2.92Å; K100-L103 HydrophobicContact CG-CD1 4.5Å; K100-L103 WeakPolarHBondContact O-CB 3.35Å; K100-L103 PolarHBondContact O-N 3.1Å; L103-K105 PolarHBondContact O-N 2.77Å; L103-Y106 PolarHBondContact O-N 3.5Å; L103-Y106 VanDerWaalsContact O-N 3.12Å; L103-H107 PolarHBondContact O-N 3.16Å; L103-H107 VanDerWaalsContact O-N 3.14Å; L103-I287 HydrophobicContact CD2-CG2 4.01Å; L103-Y289 HydrophobicContact CB-CD1 4.05Å; L103-Y289 HydrophobicContact CB-CG 4.11Å; L103-Y289 HydrophobicContact CD1-CD1 4.04Å; L103-Y289 HydrophobicContact CD1-CD2 3.87Å; L103-Y289 HydrophobicContact CD1-CE1 4.35Å; L103-Y289 HydrophobicContact CD1-CE2 4.22Å; L103-Y289 HydrophobicContact CD1-CG 3.76Å |
| 104 | Q | 85.8 | Confident | 90.1 | Very high | 125 Ų | 125 | 58.8 Ų | 58.8 | 58% | 0.584 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.5 | -24.5 | -178.9 | -151.6 | 63 | 0.3 | 0 | 0 | 113.3 | D102 Y106 H107 | D102-Q104 PolarHBondContact O-N 3.09Å; D102-Q104 VanDerWaalsContact O-N 3.16Å; Q104-Y106 VanDerWaalsContact C-N 3.26Å; Q104-Y106 PolarHBondContact O-N 2.71Å; Q104-H107 PolarHBondContact O-N 2.66Å |
| 105 | K | 87.9 | Confident | 90.2 | Very high | 119 Ų | 119 | 59.3 Ų | 59.3 | 52% | 0.517 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.1 | -31.1 | 175.9 | -61 | 173.5 | 177.6 | 170 | 0 | 112 | D102 L103 K109 | D102-K105 HydrophobicContact CB-CD 4.29Å; D102-K105 VanDerWaalsContact O-CB 3.3Å; D102-K105 WeakPolarHBondContact O-CB 3.43Å; D102-K105 PolarHBondContact O-N 3.14Å; D102-K105 WeakPolarHBondContact OD1-CE 3.41Å; D102-K105 IonicContact OD1-NZ 2.85Å; D102-K105 PolarHBondContact OD1-NZ 2.78Å; L103-K105 PolarHBondContact O-N 2.77Å; K105-K109 PolarHBondContact O-NZ 3.03Å |
| 106 | Y | 88.9 | Confident | 90.1 | Very high | 79 Ų | 79 | 64.2 Ų | 64.2 | 31% | 0.31 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -101.9 | -0.9 | -176.8 | -55.8 | -72.7 | 0 | 0 | 0 | 113.5 | V98 D102 L103 Q104 G108 K109 T111 F113 | V98-Y106 HydrophobicContact CG1-CD2 3.99Å; V98-Y106 HydrophobicContact CG1-CE2 4.12Å; D102-Y106 HydrophobicContact CB-CE2 4.42Å; D102-Y106 VanDerWaalsContact O-CD2 3.31Å; D102-Y106 WeakPolarHBondContact O-CD2 3.46Å; L103-Y106 PolarHBondContact O-N 3.5Å; L103-Y106 VanDerWaalsContact O-N 3.12Å; Q104-Y106 VanDerWaalsContact C-N 3.26Å; Q104-Y106 PolarHBondContact O-N 2.71Å; Y106-G108 PolarHBondContact O-N 3.37Å; Y106-K109 PolarHBondContact O-N 3.04Å; Y106-T111 HydrophobicContact CD1-CG2 4.11Å; Y106-T111 HydrophobicContact CE1-CG2 4.25Å; Y106-F113 AromaticContact CD1-CE1 3.99Å; Y106-F113 HydrophobicContact CD1-CE1 3.99Å; Y106-F113 AromaticContact CD1-CZ 3.68Å; Y106-F113 HydrophobicContact CD1-CZ 3.68Å; Y106-F113 HydrophobicContact CD2-CE1 4.32Å; Y106-F113 HydrophobicContact CD2-CZ 4.3Å; Y106-F113 AromaticContact CE1-CE1 3.79Å; Y106-F113 HydrophobicContact CE1-CE1 3.79Å; Y106-F113 AromaticContact CE1-CZ 3.96Å; Y106-F113 HydrophobicContact CE1-CZ 3.96Å; Y106-F113 HydrophobicContact CE2-CE1 4.14Å; Y106-F113 HydrophobicContact CG-CE1 4.25Å; Y106-F113 AromaticContact CG-CZ 3.86Å; Y106-F113 HydrophobicContact CG-CZ 3.86Å; Y106-F113 AromaticContact CZ-CE1 3.87Å |
| 107 | H | 86.3 | Confident | 89.7 | Confident | 70 Ų | 70 | 66.8 Ų | 66.8 | 32% | 0.324 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -52.5 | 119.4 | -176.4 | -177.3 | 101.6 | 0 | 0 | 0 | 112.1 | L103 Q104 K109 I287 Y289 | L103-H107 PolarHBondContact O-N 3.16Å; L103-H107 VanDerWaalsContact O-N 3.14Å; Q104-H107 PolarHBondContact O-N 2.66Å; H107-K109 PolarHBondContact O-N 3.46Å; H107-K109 VanDerWaalsContact O-N 3.16Å; H107-I287 CarbonylContact C-O 3.51Å; H107-I287 VanDerWaalsContact CA-O 3.26Å; H107-I287 WeakPolarHBondContact CA-O 3.32Å; H107-Y289 PolarHBondContact CE1-O 3Å; H107-Y289 PolarHBondContact ND1-N 3.05Å; H107-Y289 PolarHBondContact ND1-O 3.19Å |
| 108 | G | 82.8 | Confident | 89.3 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y106 N286 I287 | Y106-G108 PolarHBondContact O-N 3.37Å; G108-N286 PolarHBondContact O-ND2 3.18Å; G108-I287 PolarHBondContact N-O 2.84Å |
| 109 | K | 88.2 | Confident | 88.9 | Confident | 123 Ų | 123 | 69.7 Ų | 69.7 | 54% | 0.535 | 34% | 0.344 | S | S | . | . | trans | -96.6 | 129.7 | -178.7 | -64 | 176.6 | -172.3 | 165.4 | 0 | 110.6 | K105 Y106 H107 T111 | K105-K109 PolarHBondContact O-NZ 3.03Å; Y106-K109 PolarHBondContact O-N 3.04Å; H107-K109 PolarHBondContact O-N 3.46Å; H107-K109 VanDerWaalsContact O-N 3.16Å; K109-T111 PolarHBondContact O-N 3.02Å; K109-T111 PolarHBondContact O-OG1 2.76Å | ||
| 110 | D | 91.2 | Very high | 88.3 | Confident | 84 Ų | 84 | 69 Ų | 69 | 45% | 0.449 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 109.4 | 171.6 | -172.2 | 20.6 | 0 | 0 | 0 | 109.8 | R284 N286 | D110-R284 VanDerWaalsContact CG-NE 3.32Å; D110-R284 VanDerWaalsContact OD1-CG 3.29Å; D110-R284 WeakPolarHBondContact OD1-CG 3.39Å; D110-R284 IonicContact OD1-NE 2.72Å; D110-R284 PolarHBondContact OD1-NE 2.94Å; D110-R284 VanDerWaalsContact OD1-NE 3.1Å; D110-R284 IonicContact OD2-CZ 3.6Å; D110-R284 IonicContact OD2-NE 3.95Å; D110-R284 PolarHBondContact OD2-NE 2.76Å; D110-R284 IonicContact OD2-NH2 2.81Å; D110-R284 PolarHBondContact OD2-NH2 3.31Å; D110-N286 HydrophobicContact CB-CB 4.41Å |
| 111 | T | 95 | Very high | 87.8 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.7 | -163.7 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | Y106 K109 F113 R284 L285 | Y106-T111 HydrophobicContact CD1-CG2 4.11Å; Y106-T111 HydrophobicContact CE1-CG2 4.25Å; K109-T111 PolarHBondContact O-N 3.02Å; K109-T111 PolarHBondContact O-OG1 2.76Å; T111-F113 HydrophobicContact CG2-CD2 4.38Å; T111-F113 HydrophobicContact CG2-CE2 3.9Å; T111-F113 HydrophobicContact CG2-CZ 3.99Å; T111-R284 WeakPolarHBondContact O-CA 3.43Å; T111-L285 PolarHBondContact N-O 3.49Å; T111-L285 PolarHBondContact O-N 2.98Å |
| 112 | W | 95.6 | Very high | 87.6 | Confident | 104 Ų | 104 | 65.5 Ų | 65.5 | 39% | 0.394 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 126.2 | 170.3 | -72.4 | 96.1 | 0 | 0 | 0 | 111 | E20 K22 R284 | E20-W112 HydrophobicContact CG-CH2 3.55Å; E20-W112 HydrophobicContact CG-CZ2 4.26Å; E20-W112 HydrophobicContact CG-CZ3 4.33Å; K22-W112 HydrophobicContact CB-CH2 4.37Å; K22-W112 HydrophobicContact CB-CZ3 4.24Å; K22-W112 HydrophobicContact CD-CH2 3.57Å; K22-W112 HydrophobicContact CD-CZ2 4.26Å; K22-W112 HydrophobicContact CD-CZ3 4.25Å; K22-W112 HydrophobicContact CG-CH2 3.84Å; K22-W112 HydrophobicContact CG-CZ3 4.17Å; W112-R284 HydrophobicContact CD2-CB 3.87Å; W112-R284 HydrophobicContact CD2-CG 4.26Å; W112-R284 HydrophobicContact CE3-CB 3.77Å; W112-R284 HydrophobicContact CH2-CB 3.86Å; W112-R284 HydrophobicContact CZ2-CB 3.92Å; W112-R284 HydrophobicContact CZ2-CG 4.22Å; W112-R284 HydrophobicContact CZ3-CB 3.77Å |
| 113 | F | 95.1 | Very high | 87.4 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.6 | 176.8 | -65.7 | -92.8 | 0 | 0 | 0 | 110.2 | V96 V98 Y106 T111 S282 L283 L285 I287 | V96-F113 HydrophobicContact CB-CB 4.24Å; V96-F113 HydrophobicContact CG1-CB 3.55Å; V96-F113 HydrophobicContact CG1-CD1 3.81Å; V96-F113 HydrophobicContact CG1-CG 3.73Å; V96-F113 HydrophobicContact CG2-CB 3.62Å; V98-F113 HydrophobicContact CG2-CD1 4.44Å; V98-F113 HydrophobicContact CG2-CE1 3.95Å; V98-F113 HydrophobicContact CG2-CZ 4.43Å; Y106-F113 AromaticContact CD1-CE1 3.99Å; Y106-F113 HydrophobicContact CD1-CE1 3.99Å; Y106-F113 AromaticContact CD1-CZ 3.68Å; Y106-F113 HydrophobicContact CD1-CZ 3.68Å; Y106-F113 HydrophobicContact CD2-CE1 4.32Å; Y106-F113 HydrophobicContact CD2-CZ 4.3Å; Y106-F113 AromaticContact CE1-CE1 3.79Å; Y106-F113 HydrophobicContact CE1-CE1 3.79Å; Y106-F113 AromaticContact CE1-CZ 3.96Å; Y106-F113 HydrophobicContact CE1-CZ 3.96Å; Y106-F113 HydrophobicContact CE2-CE1 4.14Å; Y106-F113 HydrophobicContact CG-CE1 4.25Å; Y106-F113 AromaticContact CG-CZ 3.86Å; Y106-F113 HydrophobicContact CG-CZ 3.86Å; Y106-F113 AromaticContact CZ-CE1 3.87Å; T111-F113 HydrophobicContact CG2-CD2 4.38Å; T111-F113 HydrophobicContact CG2-CE2 3.9Å; T111-F113 HydrophobicContact CG2-CZ 3.99Å; F113-S282 CarbonylContact O-C 3.56Å; F113-S282 WeakPolarHBondContact O-CA 3.42Å; F113-S282 WeakPolarHBondContact O-CB 3.24Å; F113-L283 PolarHBondContact N-O 3.02Å; F113-L283 PolarHBondContact O-N 3.03Å; F113-L285 HydrophobicContact CD2-CB 4.03Å; F113-L285 HydrophobicContact CD2-CD1 3.88Å; F113-L285 HydrophobicContact CD2-CG 4.18Å; F113-L285 HydrophobicContact CE2-CB 3.9Å; F113-L285 HydrophobicContact CE2-CD1 4.2Å; F113-L285 HydrophobicContact CE2-CG 4.49Å; F113-I287 HydrophobicContact CZ-CD1 4.44Å |
| 114 | Q | 94.3 | Very high | 87.3 | Confident | 119 Ų | 119 | 66.5 Ų | 66.5 | 56% | 0.556 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 134.8 | 175.2 | -66.9 | -58.9 | -30.2 | 0 | 0 | 110.6 | G281 S282 | Q114-G281 PolarHBondContact OE1-O 2.82Å; Q114-S282 VanDerWaalsContact CD-OG 3.22Å; Q114-S282 PolarHBondContact NE2-OG 2.59Å; Q114-S282 PolarHBondContact OE1-OG 2.71Å |
| 115 | L | 92.7 | Very high | 87.4 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | trans | -75.6 | 134.8 | 177.2 | -70.3 | 162 | 0 | 0 | 0 | 110 | I80 V96 L280 G281 L283 | I80-L115 HydrophobicContact CD1-CD1 3.62Å; I80-L115 HydrophobicContact CD1-CD2 3.81Å; I80-L115 HydrophobicContact CD1-CG 4.36Å; I80-L115 HydrophobicContact CG1-CD2 4.1Å; V96-L115 HydrophobicContact CG2-CD2 3.92Å; L115-L280 HydrophobicContact CB-CB 3.78Å; L115-L280 WeakPolarHBondContact CD1-O 3.09Å; L115-G281 WeakPolarHBondContact CB-O 3.16Å; L115-G281 PolarHBondContact N-O 3.23Å; L115-L283 HydrophobicContact CD2-CB 4.4Å | ||
| 116 | Q | 90.3 | Very high | 87.5 | Confident | 110 Ų | 110 | 57.3 Ų | 57.3 | 51% | 0.514 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -107.7 | 145.9 | 178.2 | -64.6 | -174 | -19.9 | 0 | 0 | 110.6 | G94 K95 | G94-Q116 WeakPolarHBondContact CA-O 3.49Å; K95-Q116 PolarHBondContact N-O 2.93Å; K95-Q116 PolarHBondContact O-N 3.43Å |
| 117 | P | 86.3 | Confident | 87.6 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 39% | 0.39 | 30% | 0.3 | S | S | . | . | trans | -64.2 | 144.8 | 174.5 | 25.9 | -33.1 | 0 | 0 | 0 | 110.5 | L280 | P117-L280 HydrophobicContact CB-CD1 3.97Š| ||
| 118 | V | 84.7 | Confident | 88.1 | Confident | 51 Ų | 51 | 52 Ų | 52 | 31% | 0.309 | 28% | 0.284 | S | S | . | . | trans | -97 | 116.3 | 178.1 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | Y79 I92 K95 E123 | Y79-V118 HydrophobicContact CD1-CG2 4.31Å; Y79-V118 HydrophobicContact CE1-CG1 4.42Å; Y79-V118 HydrophobicContact CE1-CG2 4.31Å; I92-V118 HydrophobicContact CD1-CG1 4.33Å; I92-V118 HydrophobicContact CG2-CB 4.16Å; I92-V118 HydrophobicContact CG2-CG2 3.52Å; K95-V118 HydrophobicContact CB-CG2 3.82Å; K95-V118 HydrophobicContact CD-CG2 3.79Å; K95-V118 HydrophobicContact CG-CG2 3.81Å; V118-E123 HydrophobicContact CG1-CG 3.88Å | ||
| 119 | S | 82.1 | Confident | 88.7 | Confident | 57 Ų | 57 | 51.3 Ų | 51.3 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | trans | -137.7 | 167.5 | 175.6 | 72 | 0 | 0 | 0 | 0 | 111.1 | D121 S122 E123 | S119-D121 PolarHBondContact O-N 2.93Å; S119-S122 PolarHBondContact N-OG 2.84Å; S119-S122 WeakPolarHBondContact O-CA 3.42Å; S119-S122 WeakPolarHBondContact O-CB 3.36Å; S119-S122 PolarHBondContact O-N 3.48Å; S119-S122 PolarHBondContact O-OG 3.11Å; S119-S122 PolarHBondContact OG-N 3.06Å; S119-E123 WeakPolarHBondContact O-CG 3.27Å; S119-E123 PolarHBondContact O-N 3.39Å; S119-E123 VanDerWaalsContact O-N 3.08Å | ||
| 120 | A | 77.5 | Confident | 89.1 | Confident | 45 Ų | 45 | 45.5 Ų | 45.5 | 37% | 0.372 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -40.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S122 E123 | A120-S122 VanDerWaalsContact C-N 3.3Å; A120-S122 PolarHBondContact O-N 3.35Å; A120-E123 PolarHBondContact O-N 3.28Å |
| 121 | D | 77.9 | Confident | 89.3 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -29.9 | 176 | -68.9 | -74.2 | 0 | 0 | 0 | 113.2 | S119 P267 R268 | S119-D121 PolarHBondContact O-N 2.93Å; D121-P267 WeakPolarHBondContact O-CB 3.49Å; D121-P267 WeakPolarHBondContact O-CG 3.38Å; D121-R268 WeakPolarHBondContact OD1-CB 3.38Å; D121-R268 WeakPolarHBondContact OD1-CD 3.27Å; D121-R268 VanDerWaalsContact OD1-CG 3.3Å; D121-R268 WeakPolarHBondContact OD1-CG 3.44Å; D121-R268 PolarHBondContact OD1-N 3.4Å |
| 122 | S | 79.8 | Confident | 89.2 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -22.6 | 176.7 | 80.8 | 0 | 0 | 0 | 0 | 112.7 | K95 S119 A120 | K95-S122 VanDerWaalsContact NZ-CB 3.27Å; K95-S122 PolarHBondContact NZ-O 3.04Å; K95-S122 PolarHBondContact NZ-OG 2.86Å; S119-S122 PolarHBondContact N-OG 2.84Å; S119-S122 WeakPolarHBondContact O-CA 3.42Å; S119-S122 WeakPolarHBondContact O-CB 3.36Å; S119-S122 PolarHBondContact O-N 3.48Å; S119-S122 PolarHBondContact O-OG 3.11Å; S119-S122 PolarHBondContact OG-N 3.06Å; A120-S122 VanDerWaalsContact C-N 3.3Å; A120-S122 PolarHBondContact O-N 3.35Å |
| 123 | E | 84.1 | Confident | 88.9 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 16.2 | -173.4 | -71.4 | -64.8 | 129.6 | 0 | 0 | 112.8 | Y79 K95 V118 S119 A120 Q125 | Y79-E123 WeakPolarHBondContact CE1-OE1 3.13Å; Y79-E123 VanDerWaalsContact OH-CD 3.29Å; Y79-E123 PolarHBondContact OH-OE1 2.96Å; Y79-E123 PolarHBondContact OH-OE2 3.46Å; Y79-E123 VanDerWaalsContact OH-OE2 3.05Å; K95-E123 WeakPolarHBondContact CD-OE1 3.11Å; K95-E123 IonicContact NZ-OE1 2.72Å; K95-E123 PolarHBondContact NZ-OE1 2.92Å; V118-E123 HydrophobicContact CG1-CG 3.88Å; S119-E123 WeakPolarHBondContact O-CG 3.27Å; S119-E123 PolarHBondContact O-N 3.39Å; S119-E123 VanDerWaalsContact O-N 3.08Å; A120-E123 PolarHBondContact O-N 3.28Å; E123-Q125 PolarHBondContact O-N 2.96Å |
| 124 | V | 87.3 | Confident | 88.5 | Confident | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | trans | -63.7 | 123.5 | -179.7 | 174.1 | 0 | 0 | 0 | 0 | 111 | F242 L265 P267 | V124-F242 HydrophobicContact CG2-CD1 4.41Å; V124-F242 HydrophobicContact CG2-CE1 4.08Å; V124-L265 VanDerWaalsContact CG1-C 3.49Å; V124-L265 HydrophobicContact CG1-CB 3.7Å; V124-L265 WeakPolarHBondContact CG1-O 3.44Å; V124-P267 HydrophobicContact CB-CG 4.45Å; V124-P267 HydrophobicContact CG2-CG 4.46Å | ||
| 125 | Q | 87.5 | Confident | 88 | Confident | 39 Ų | 39 | 41.4 Ų | 41.4 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | trans | -140.9 | 160 | 176.8 | -172.6 | 176.1 | -10.5 | 0 | 0 | 110.2 | E123 P159 L265 | E123-Q125 PolarHBondContact O-N 2.96Å; Q125-P159 WeakPolarHBondContact O-CD 3.46Å; Q125-L265 WeakPolarHBondContact O-CD1 3.47Å | ||
| 126 | G | 89.4 | Confident | 87.2 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | trans | 103.2 | -177.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q156 G157 L265 | G126-Q156 CarbonylContact C-O 3.54Å; G126-Q156 WeakPolarHBondContact CA-O 3.44Å; G126-G157 VanDerWaalsContact CA-O 3.27Å; G126-G157 WeakPolarHBondContact CA-O 3.49Å; G126-G157 PolarHBondContact N-O 3.04Å; G126-L265 PolarHBondContact O-N 2.91Å | ||
| 127 | K | 92.4 | Very high | 86.4 | Confident | 38 Ų | 38 | 45.1 Ų | 45.1 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 151.7 | -177.1 | 56.3 | -178 | -175.6 | -164.7 | 0 | 110.3 | C155 Q156 W262 Y263 F264 Q810 P813 | K127-C155 CarbonylContact O-C 3.54Å; K127-C155 WeakPolarHBondContact O-CA 3.15Å; K127-C155 WeakPolarHBondContact O-CB 3.19Å; K127-Q156 HydrophobicContact CG-CB 4.04Å; K127-Q156 PolarHBondContact N-O 3.41Å; K127-Q156 PolarHBondContact O-N 2.89Å; K127-W262 HydrophobicContact CB-CE3 4.03Å; K127-W262 HydrophobicContact CB-CZ3 4.47Å; K127-W262 HydrophobicContact CD-CD2 4.45Å; K127-W262 HydrophobicContact CD-CE3 3.68Å; K127-W262 HydrophobicContact CD-CZ3 4.02Å; K127-W262 HydrophobicContact CG-CE3 3.62Å; K127-W262 HydrophobicContact CG-CZ3 3.72Å; K127-Y263 CarbonylContact C-O 3.47Å; K127-Y263 WeakPolarHBondContact CA-O 3.38Å; K127-Y263 VanDerWaalsContact CB-O 3.27Å; K127-Y263 WeakPolarHBondContact CB-O 3.33Å; K127-F264 HydrophobicContact CB-CD1 4.37Å; K127-Q810 VanDerWaalsContact NZ-CG 3.28Å; K127-Q810 PolarHBondContact NZ-O 2.71Å; K127-P813 HydrophobicContact CB-CG 4.33Å; K127-P813 HydrophobicContact CD-CG 3.75Å |
| 128 | V | 95.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.5 | 178.6 | 60 | 0 | 0 | 0 | 0 | 109.8 | L130 V152 E154 V246 W262 Y263 L265 | V128-L130 HydrophobicContact CG1-CD1 4.4Å; V128-L130 HydrophobicContact CG1-CG 4.32Å; V128-L130 HydrophobicContact CG2-CD2 3.74Å; V128-L130 HydrophobicContact CG2-CG 4.08Å; V128-V152 HydrophobicContact CG2-CG1 4.3Å; V128-E154 WeakPolarHBondContact CA-O 3.27Å; V128-V246 HydrophobicContact CG1-CG1 3.76Å; V128-W262 CarbonylContact O-C 3.56Å; V128-W262 WeakPolarHBondContact O-CA 3.33Å; V128-Y263 PolarHBondContact N-O 3.09Å; V128-Y263 PolarHBondContact O-N 2.76Å; V128-L265 HydrophobicContact CB-CD2 4.22Å; V128-L265 HydrophobicContact CG1-CD2 3.85Å |
| 129 | H | 96.4 | Very high | 84.9 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 12% | 0.116 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.9 | 175 | -171.3 | -163.2 | 0 | 0 | 0 | 109.8 | L153 E154 D260 W262 | H129-L153 HydrophobicContact CB-CB 4.08Å; H129-L153 WeakPolarHBondContact CE1-CD1 3.38Å; H129-L153 WeakPolarHBondContact ND1-CD1 3.47Å; H129-L153 PolarHBondContact O-N 3.42Å; H129-L153 VanDerWaalsContact O-N 3.09Å; H129-E154 HydrophobicContact CB-CG 3.84Å; H129-E154 PolarHBondContact N-O 2.84Å; H129-D260 IonicContact CD2-OD1 2.94Å; H129-D260 PolarHBondContact CD2-OD1 2.85Å; H129-D260 IonicContact CE1-OD1 3.8Å; H129-D260 IonicContact NE2-OD1 2.76Å; H129-D260 PolarHBondContact NE2-OD1 3.36Å; H129-W262 HydrophobicContact CB-CD2 3.75Å; H129-W262 HydrophobicContact CB-CE3 3.88Å; H129-W262 HydrophobicContact CB-CG 4.4Å; H129-W262 HydrophobicContact CB-CH2 3.88Å; H129-W262 HydrophobicContact CB-CZ2 3.71Å; H129-W262 HydrophobicContact CB-CZ3 3.94Å; H129-W262 AromaticContact CD2-CD1 3.86Å; H129-W262 AromaticContact CD2-NE1 3.75Å; H129-W262 AromaticContact CG-CE2 3.64Å; H129-W262 AromaticContact CG-CZ2 3.95Å; H129-W262 AromaticContact CG-NE1 3.61Å; H129-W262 AromaticContact ND1-CE2 3.95Å; H129-W262 AromaticContact ND1-CZ2 3.97Å; H129-W262 AromaticContact ND1-NE1 3.81Å |
| 130 | L | 95.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 138.5 | -176.3 | -60.5 | 178.5 | 0 | 0 | 0 | 110.6 | V128 V152 V228 V246 V248 A261 Y263 | V128-L130 HydrophobicContact CG1-CD1 4.4Å; V128-L130 HydrophobicContact CG1-CG 4.32Å; V128-L130 HydrophobicContact CG2-CD2 3.74Å; V128-L130 HydrophobicContact CG2-CG 4.08Å; L130-V152 HydrophobicContact CD2-CB 4.36Å; L130-V152 HydrophobicContact CD2-CG1 4.28Å; L130-V152 HydrophobicContact CD2-CG2 3.97Å; L130-V228 HydrophobicContact CD1-CG2 3.95Å; L130-V228 HydrophobicContact CD2-CG1 4.48Å; L130-V228 HydrophobicContact CD2-CG2 4.12Å; L130-V246 HydrophobicContact CD1-CG1 3.82Å; L130-V248 HydrophobicContact CD1-CG2 4.13Å; L130-A261 PolarHBondContact N-O 2.88Å; L130-A261 PolarHBondContact O-N 3.17Å; L130-Y263 HydrophobicContact CB-CD2 4.45Å; L130-Y263 HydrophobicContact CB-CE2 4.44Å; L130-Y263 HydrophobicContact CD1-CD2 4.09Å; L130-Y263 HydrophobicContact CD1-CE2 4.37Å; L130-Y263 HydrophobicContact CG-CD2 4.41Å |
| 131 | E | 95.4 | Very high | 83.6 | Confident | 50 Ų | 50 | 56.2 Ų | 56.2 | 23% | 0.234 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.4 | 168.6 | -179.8 | -171.2 | 172.6 | 0 | 0 | 109.2 | R151 L153 H259 | E131-R151 HydrophobicContact CB-CB 4.24Å; E131-R151 PolarHBondContact N-O 2.77Å; E131-R151 PolarHBondContact O-N 2.9Å; E131-R151 IonicContact OE2-CZ 3.04Å; E131-R151 IonicContact OE2-NE 2.8Å; E131-R151 PolarHBondContact OE2-NE 2.88Å; E131-R151 IonicContact OE2-NH2 2.63Å; E131-R151 PolarHBondContact OE2-NH2 2.79Å; E131-L153 HydrophobicContact CB-CD1 4.28Å; E131-H259 CarbonylContact C-O 3.53Å; E131-H259 WeakPolarHBondContact CA-O 3.31Å |
| 132 | L | 92.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 136.2 | -178.7 | -51.4 | -176.7 | 0 | 0 | 0 | 108.9 | L148 A149 T150 L226 V248 V252 L253 V258 H259 | L132-L148 HydrophobicContact CB-CD1 4.36Å; L132-A149 CarbonylContact C-O 3.57Å; L132-A149 WeakPolarHBondContact CA-O 3.19Å; L132-T150 HydrophobicContact CD2-CG2 3.71Å; L132-L226 HydrophobicContact CD1-CD2 4.42Å; L132-L226 HydrophobicContact CD2-CD2 3.46Å; L132-L226 VanDerWaalsContact CD2-CD2 3.46Å; L132-V248 HydrophobicContact CD1-CG1 3.87Å; L132-V252 HydrophobicContact CD1-CG2 4.43Å; L132-L253 HydrophobicContact CB-CD2 3.75Å; L132-V258 CarbonylContact O-C 3.4Å; L132-V258 VanDerWaalsContact O-CA 3.31Å; L132-V258 WeakPolarHBondContact O-CA 3.47Å; L132-H259 HydrophobicContact CB-CB 4.3Å; L132-H259 PolarHBondContact N-O 2.85Å; L132-H259 PolarHBondContact O-N 3.17Å |
| 133 | R | 90.9 | Very high | 82.2 | Confident | 145 Ų | 145 | 56.2 Ų | 56.2 | 55% | 0.547 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 119.9 | 174.7 | 179.1 | 171 | -177.6 | 177.6 | 2.3 | 110.2 | A149 G257 V258 | R133-A149 HydrophobicContact CB-CB 4.37Å; R133-A149 PolarHBondContact N-O 3.22Å; R133-A149 PolarHBondContact O-N 2.9Å; R133-G257 CarbonylContact C-O 3.48Å; R133-G257 VanDerWaalsContact CA-O 3.31Å; R133-G257 WeakPolarHBondContact CA-O 3.31Å; R133-V258 HydrophobicContact CB-CG2 4.5Å; R133-V258 HydrophobicContact CG-CG2 4.09Å |
| 134 | L | 85.9 | Confident | 81.3 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.7 | 168.3 | -164.3 | 65 | 0 | 0 | 0 | 108.5 | H146 L148 V203 L253 G257 | L134-H146 HydrophobicContact CD1-CB 4.12Å; L134-L148 HydrophobicContact CD1-CB 4.37Å; L134-V203 HydrophobicContact CD1-CB 4.42Å; L134-V203 HydrophobicContact CD1-CG2 3.86Å; L134-L253 HydrophobicContact CB-CD1 4.16Å; L134-G257 PolarHBondContact N-O 3.3Å |
| 135 | S | 83.6 | Confident | 80.5 | Confident | 42 Ų | 42 | 58 Ų | 58 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 138.2 | 177.4 | -62 | 0 | 0 | 0 | 0 | 110 | K147 | S135-K147 PolarHBondContact N-O 3.4Å; S135-K147 PolarHBondContact O-N 2.71Å |
| 136 | E | 76.3 | Confident | 80 | Confident | 144 Ų | 144 | 57.8 Ų | 57.8 | 67% | 0.673 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 132.2 | 171.4 | -70.4 | 171.7 | -158.5 | 0 | 0 | 109.4 | V144 H146 | E136-V144 HydrophobicContact CB-CG1 4.21Å; E136-V144 HydrophobicContact CG-CG1 4.17Å; E136-H146 IonicContact OE1-NE2 3.94Å |
| 137 | V | 73.2 | Confident | 79.7 | Confident | 54 Ų | 54 | 61 Ų | 61 | 33% | 0.327 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 117.6 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | T139 N145 K147 | V137-T139 PolarHBondContact O-N 2.79Å; V137-N145 PolarHBondContact N-O 3.2Å; V137-N145 PolarHBondContact O-N 3.06Å; V137-K147 HydrophobicContact CG2-CB 4.45Å; V137-K147 HydrophobicContact CG2-CD 3.99Å; V137-K147 HydrophobicContact CG2-CG 4.17Å |
| 138 | I | 70.7 | Confident | 79.5 | Confident | 126 Ų | 126 | 59.1 Ų | 59.1 | 65% | 0.646 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 119.9 | 173.2 | -56.1 | 171.5 | 0 | 0 | 0 | 107.3 | V144 | I138-V144 HydrophobicContact CG1-CG2 4.49Å |
| 139 | T | 68.9 | Low | 79.4 | Confident | 41 Ų | 41 | 60 Ų | 60 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | trans | -76.3 | 162.1 | 174.8 | 55.5 | 0 | 0 | 0 | 0 | 111.1 | V137 S141 G142 V143 N145 | V137-T139 PolarHBondContact O-N 2.79Å; T139-S141 PolarHBondContact O-N 2.82Å; T139-S141 PolarHBondContact OG1-OG 3.06Å; T139-S141 VanDerWaalsContact OG1-OG 3.05Å; T139-G142 PolarHBondContact O-N 2.86Å; T139-V143 PolarHBondContact N-O 3.04Å; T139-V143 WeakPolarHBondContact OG1-CB 3.48Å; T139-V143 PolarHBondContact OG1-N 3.03Å; T139-V143 PolarHBondContact OG1-O 3.24Å; T139-N145 HydrophobicContact CG2-CB 4.42Å; T139-N145 VanDerWaalsContact CG2-ND2 3.34Å; T139-N145 WeakPolarHBondContact CG2-ND2 3.35Å | ||
| 140 | D | 64.5 | Low | 79.2 | Confident | 182 Ų | 182 | 58.9 Ų | 58.9 | 97% | 0.973 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.1 | 178.8 | -58.3 | -28.4 | 0 | 0 | 0 | 113.4 | ||
| 141 | S | 66.8 | Low | 79.3 | Confident | 97 Ų | 97 | 63.3 Ų | 63.3 | 68% | 0.678 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 3.6 | 173.9 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | T139 V143 | T139-S141 PolarHBondContact O-N 2.82Å; T139-S141 PolarHBondContact OG1-OG 3.06Å; T139-S141 VanDerWaalsContact OG1-OG 3.05Å; S141-V143 VanDerWaalsContact C-N 3.3Å; S141-V143 PolarHBondContact O-N 3.5Å |
| 142 | G | 64.9 | Low | 79.3 | Confident | 55 Ų | 55 | 60.9 Ų | 60.9 | 57% | 0.567 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 79.1 | 5.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T139 | T139-G142 PolarHBondContact O-N 2.86Š|
| 143 | V | 65 | Low | 79.4 | Confident | 43 Ų | 43 | 61.8 Ų | 61.8 | 26% | 0.261 | 34% | 0.335 | S | S | . | . | trans | -83.5 | 130 | 177.8 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | T139 S141 | T139-V143 PolarHBondContact N-O 3.04Å; T139-V143 WeakPolarHBondContact OG1-CB 3.48Å; T139-V143 PolarHBondContact OG1-N 3.03Å; T139-V143 PolarHBondContact OG1-O 3.24Å; S141-V143 VanDerWaalsContact C-N 3.3Å; S141-V143 PolarHBondContact O-N 3.5Å | ||
| 144 | V | 65.3 | Low | 79.6 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 118.6 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 109 | E136 I138 | E136-V144 HydrophobicContact CB-CG1 4.21Å; E136-V144 HydrophobicContact CG-CG1 4.17Å; I138-V144 HydrophobicContact CG1-CG2 4.49Å |
| 145 | N | 69.9 | Low | 80 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.2 | 174.1 | -84.4 | -16 | 0 | 0 | 0 | 110.5 | V137 T139 | V137-N145 PolarHBondContact N-O 3.2Å; V137-N145 PolarHBondContact O-N 3.06Å; T139-N145 HydrophobicContact CG2-CB 4.42Å; T139-N145 VanDerWaalsContact CG2-ND2 3.34Å; T139-N145 WeakPolarHBondContact CG2-ND2 3.35Å |
| 146 | H | 76.8 | Confident | 80.3 | Confident | 33 Ų | 33 | 54.7 Ų | 54.7 | 15% | 0.153 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.9 | 174.1 | -64.4 | 85.8 | 0 | 0 | 0 | 110.2 | L134 E136 V203 T204 | L134-H146 HydrophobicContact CD1-CB 4.12Å; E136-H146 IonicContact OE1-NE2 3.94Å; H146-V203 HydrophobicContact CB-CB 3.93Å; H146-V203 HydrophobicContact CB-CG1 4.26Å; H146-V203 WeakPolarHBondContact O-CB 3.4Å; H146-V203 PolarHBondContact O-N 2.91Å; H146-T204 WeakPolarHBondContact CB-OG1 3.18Å; H146-T204 PolarHBondContact N-OG1 2.86Å; H146-T204 PolarHBondContact ND1-OG1 3.1Å |
| 147 | K | 83.8 | Confident | 80.8 | Confident | 78 Ų | 78 | 49 Ų | 49 | 34% | 0.339 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.7 | 174 | -68.8 | -169.8 | -177.6 | 177.4 | 0 | 110.3 | S135 V137 F201 | S135-K147 PolarHBondContact N-O 3.4Å; S135-K147 PolarHBondContact O-N 2.71Å; V137-K147 HydrophobicContact CG2-CB 4.45Å; V137-K147 HydrophobicContact CG2-CD 3.99Å; V137-K147 HydrophobicContact CG2-CG 4.17Å; K147-F201 CarbonylContact C-O 3.56Å; K147-F201 WeakPolarHBondContact CA-O 3.19Å |
| 148 | L | 87.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 112.4 | 172 | 179.1 | 70 | 0 | 0 | 0 | 109.3 | L132 L134 L173 Y200 F201 V203 L226 L250 L253 | L132-L148 HydrophobicContact CB-CD1 4.36Å; L134-L148 HydrophobicContact CD1-CB 4.37Å; L148-L173 HydrophobicContact CD2-CD1 4.06Å; L148-Y200 CarbonylContact O-C 3.57Å; L148-Y200 WeakPolarHBondContact O-CA 3.29Å; L148-F201 HydrophobicContact CB-CB 4.42Å; L148-F201 PolarHBondContact N-O 2.84Å; L148-F201 PolarHBondContact O-N 2.92Å; L148-V203 HydrophobicContact CB-CG2 3.7Å; L148-L226 HydrophobicContact CD2-CD1 4.39Å; L148-L250 HydrophobicContact CD1-CD2 4.33Å; L148-L250 HydrophobicContact CD2-CD1 4.16Å; L148-L250 HydrophobicContact CD2-CD2 3.73Å; L148-L253 HydrophobicContact CD1-CD1 4.04Å |
| 149 | A | 92.1 | Very high | 82.4 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | L132 R133 T198 F199 Y200 | L132-A149 CarbonylContact C-O 3.57Å; L132-A149 WeakPolarHBondContact CA-O 3.19Å; R133-A149 HydrophobicContact CB-CB 4.37Å; R133-A149 PolarHBondContact N-O 3.22Å; R133-A149 PolarHBondContact O-N 2.9Å; A149-T198 HydrophobicContact CB-CG2 4.31Å; A149-F199 CarbonylContact C-O 3.44Å; A149-F199 WeakPolarHBondContact CA-O 3.37Å; A149-Y200 HydrophobicContact CB-CD1 3.93Å; A149-Y200 HydrophobicContact CB-CE1 3.77Å |
| 150 | T | 93.8 | Very high | 83 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 112.7 | 177.4 | -64.6 | 0 | 0 | 0 | 0 | 108.5 | L132 V171 T198 F199 L226 | L132-T150 HydrophobicContact CD2-CG2 3.71Å; T150-V171 HydrophobicContact CG2-CG1 3.82Å; T150-T198 CarbonylContact O-C 3.51Å; T150-T198 WeakPolarHBondContact O-CA 3.42Å; T150-F199 PolarHBondContact N-O 3.39Å; T150-F199 PolarHBondContact O-N 3.31Å; T150-L226 HydrophobicContact CG2-CD1 4.04Å; T150-L226 HydrophobicContact CG2-CD2 3.38Å; T150-L226 HydrophobicContact CG2-CG 4.32Å |
| 151 | R | 96.3 | Very high | 83.6 | Confident | 93 Ų | 93 | 35.1 Ų | 35.1 | 35% | 0.351 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.1 | 175 | -168.5 | 164.6 | 75 | 149.8 | 2.3 | 109.6 | E131 L153 E197 T198 | E131-R151 HydrophobicContact CB-CB 4.24Å; E131-R151 PolarHBondContact N-O 2.77Å; E131-R151 PolarHBondContact O-N 2.9Å; E131-R151 IonicContact OE2-CZ 3.04Å; E131-R151 IonicContact OE2-NE 2.8Å; E131-R151 PolarHBondContact OE2-NE 2.88Å; E131-R151 IonicContact OE2-NH2 2.63Å; E131-R151 PolarHBondContact OE2-NH2 2.79Å; R151-L153 HydrophobicContact CG-CD2 4.15Å; R151-L153 HydrophobicContact CG-CG 4.25Å; R151-E197 WeakPolarHBondContact CA-O 3.43Å; R151-T198 WeakPolarHBondContact CD-OG1 3.37Å |
| 152 | V | 96.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 107.1 | 169.3 | -175.4 | 0 | 0 | 0 | 0 | 106.5 | V128 L130 A169 V171 T184 F195 E196 E197 F199 | V128-V152 HydrophobicContact CG2-CG1 4.3Å; L130-V152 HydrophobicContact CD2-CB 4.36Å; L130-V152 HydrophobicContact CD2-CG1 4.28Å; L130-V152 HydrophobicContact CD2-CG2 3.97Å; V152-A169 HydrophobicContact CG1-CB 4.12Å; V152-V171 HydrophobicContact CG2-CG2 3.57Å; V152-T184 HydrophobicContact CB-CG2 4.49Å; V152-F195 HydrophobicContact CG1-CB 4.45Å; V152-F195 HydrophobicContact CG1-CD2 3.82Å; V152-F195 HydrophobicContact CG1-CE2 4.49Å; V152-F195 HydrophobicContact CG1-CG 4.41Å; V152-F195 WeakPolarHBondContact O-CB 3.29Å; V152-E196 PolarHBondContact O-N 2.92Å; V152-E196 VanDerWaalsContact O-N 3.14Å; V152-E197 PolarHBondContact N-O 3Å; V152-E197 PolarHBondContact O-N 2.73Å; V152-E197 VanDerWaalsContact O-N 3.14Å; V152-F199 HydrophobicContact CG2-CD2 4.36Å; V152-F199 HydrophobicContact CG2-CE2 4.12Å |
| 153 | L | 94.8 | Very high | 84.1 | Confident | 19 Ų | 19 | 37.3 Ų | 37.3 | 10% | 0.099 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -67.3 | -174 | -77.9 | 166.8 | 0 | 0 | 0 | 110.3 | H129 E131 R151 F195 E196 | H129-L153 HydrophobicContact CB-CB 4.08Å; H129-L153 WeakPolarHBondContact CE1-CD1 3.38Å; H129-L153 WeakPolarHBondContact ND1-CD1 3.47Å; H129-L153 PolarHBondContact O-N 3.42Å; H129-L153 VanDerWaalsContact O-N 3.09Å; E131-L153 HydrophobicContact CB-CD1 4.28Å; R151-L153 HydrophobicContact CG-CD2 4.15Å; R151-L153 HydrophobicContact CG-CG 4.25Å; L153-F195 WeakPolarHBondContact O-CA 3.41Å; L153-F195 PolarHBondContact O-N 2.98Å; L153-E196 PolarHBondContact O-N 3.13Å |
| 154 | E | 94.8 | Very high | 84.8 | Confident | 34 Ų | 34 | 40.6 Ų | 40.6 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 163.7 | -174 | 58.5 | 169.2 | 142.9 | 0 | 0 | 112.4 | V128 H129 Q156 P193 Q194 W262 | V128-E154 WeakPolarHBondContact CA-O 3.27Å; H129-E154 HydrophobicContact CB-CG 3.84Å; H129-E154 PolarHBondContact N-O 2.84Å; E154-Q156 PolarHBondContact OE2-NE2 3.31Å; E154-Q156 VanDerWaalsContact OE2-NE2 3.16Å; E154-P193 CarbonylContact C-O 3.56Å; E154-P193 VanDerWaalsContact CA-O 3.24Å; E154-P193 WeakPolarHBondContact CA-O 3.48Å; E154-P193 WeakPolarHBondContact CB-O 3.42Å; E154-Q194 VanDerWaalsContact CB-OE1 3.25Å; E154-Q194 PolarHBondContact OE2-NE2 2.99Å; E154-W262 VanDerWaalsContact CD-CH2 3.43Å; E154-W262 HydrophobicContact CG-CH2 3.52Å; E154-W262 HydrophobicContact CG-CZ2 3.9Å; E154-W262 HydrophobicContact CG-CZ3 4.39Å; E154-W262 WeakPolarHBondContact OE1-CZ2 3.14Å |
| 155 | C | 94.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 155.1 | 165.8 | -61 | 0 | 0 | 0 | 0 | 110.4 | K127 L158 N192 P193 | K127-C155 CarbonylContact O-C 3.54Å; K127-C155 WeakPolarHBondContact O-CA 3.15Å; K127-C155 WeakPolarHBondContact O-CB 3.19Å; C155-L158 HydrophobicContact CB-CD1 3.86Å; C155-L158 HydrophobicContact CB-CD2 3.89Å; C155-L158 HydrophobicContact CB-CG 3.87Å; C155-N192 CarbonylContact O-C 3.55Å; C155-N192 VanDerWaalsContact O-C 3.3Å; C155-N192 WeakPolarHBondContact O-CA 3.38Å; C155-P193 HydrophobicContact CB-CG 3.79Å; C155-P193 PolarHBondContact N-O 2.92Å; C155-P193 WeakPolarHBondContact O-CD 3.45Å |
| 156 | Q | 90.3 | Very high | 86.7 | Confident | 40 Ų | 40 | 37.4 Ų | 37.4 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140.8 | 174.6 | -70.8 | 178.7 | 6.4 | 0 | 0 | 111.8 | G126 K127 E154 N192 W262 Q810 | G126-Q156 CarbonylContact C-O 3.54Å; G126-Q156 WeakPolarHBondContact CA-O 3.44Å; K127-Q156 HydrophobicContact CG-CB 4.04Å; K127-Q156 PolarHBondContact N-O 3.41Å; K127-Q156 PolarHBondContact O-N 2.89Å; E154-Q156 PolarHBondContact OE2-NE2 3.31Å; E154-Q156 VanDerWaalsContact OE2-NE2 3.16Å; Q156-N192 VanDerWaalsContact CA-OD1 3.27Å; Q156-N192 WeakPolarHBondContact CA-OD1 3.42Å; Q156-W262 HydrophobicContact CB-CH2 4.48Å; Q156-W262 HydrophobicContact CB-CZ3 4.24Å; Q156-W262 HydrophobicContact CG-CH2 3.8Å; Q156-W262 HydrophobicContact CG-CZ3 4.04Å; Q156-Q810 VanDerWaalsContact CD-NE2 3.29Å |
| 157 | G | 87.1 | Confident | 87.5 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 24% | 0.237 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 66.8 | 34.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G126 N191 N192 | G126-G157 VanDerWaalsContact CA-O 3.27Å; G126-G157 WeakPolarHBondContact CA-O 3.49Å; G126-G157 PolarHBondContact N-O 3.04Å; G157-N191 PolarHBondContact N-O 3.02Å; G157-N192 PolarHBondContact N-OD1 3.25Å |
| 158 | L | 89.6 | Confident | 88.1 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 149.6 | 175.4 | -64.4 | -177 | 0 | 0 | 0 | 111.3 | C155 P167 N191 P193 L243 L265 | C155-L158 HydrophobicContact CB-CD1 3.86Å; C155-L158 HydrophobicContact CB-CD2 3.89Å; C155-L158 HydrophobicContact CB-CG 3.87Å; L158-P167 HydrophobicContact CD1-CB 3.5Å; L158-P167 VanDerWaalsContact CD1-CB 3.5Å; L158-P167 HydrophobicContact CD1-CG 3.84Å; L158-N191 HydrophobicContact CB-CB 4.34Å; L158-N191 WeakPolarHBondContact CB-O 3.41Å; L158-N191 PolarHBondContact N-O 2.94Å; L158-N191 WeakPolarHBondContact O-CB 3.34Å; L158-P193 HydrophobicContact CD1-CG 3.7Å; L158-L243 HydrophobicContact CD1-CD1 4.25Å; L158-L265 HydrophobicContact CD2-CD1 3.36Å |
| 159 | P | 86.9 | Confident | 88.5 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 138.6 | 178.3 | 26.6 | -35.9 | 0 | 0 | 0 | 111.3 | Q125 C165 L243 | Q125-P159 WeakPolarHBondContact O-CD 3.46Å; P159-C165 PolarHBondContact O-SG 2.58Å; P159-C165 VanDerWaalsContact O-SG 3.33Å; P159-L243 HydrophobicContact CG-CB 3.85Å; P159-L243 HydrophobicContact CG-CD2 3.66Å; P159-L243 HydrophobicContact CG-CG 4.28Å |
| 160 | I | 81.9 | Confident | 88.6 | Confident | 73 Ų | 73 | 32.3 Ų | 32.3 | 37% | 0.374 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -89.9 | 121.6 | 172.1 | -60.7 | 175.1 | 0 | 0 | 0 | 107.6 | N191 | I160-N191 HydrophobicContact CG1-CB 4.38Š|
| 161 | V | 76.9 | Confident | 88.7 | Confident | 34 Ų | 34 | 32.3 Ų | 32.3 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -113.1 | 124.9 | -178.3 | -160.3 | 0 | 0 | 0 | 0 | 109.1 | G163 Q164 E241 L243 | V161-G163 PolarHBondContact O-N 3.37Å; V161-G163 VanDerWaalsContact O-N 3.15Å; V161-Q164 PolarHBondContact N-O 3.19Å; V161-Q164 PolarHBondContact O-N 2.94Å; V161-E241 WeakPolarHBondContact CB-OE2 3.43Å; V161-E241 VanDerWaalsContact CG1-CD 3.48Å; V161-E241 WeakPolarHBondContact CG1-OE2 3.36Å; V161-L243 HydrophobicContact CG2-CD2 3.73Å |
| 162 | N | 71.4 | Confident | 88.5 | Confident | 129 Ų | 129 | 28.8 Ų | 28.8 | 69% | 0.69 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 34.9 | -177.2 | -57.7 | -46.1 | 0 | 0 | 0 | 113.9 | Q164 | N162-Q164 VanDerWaalsContact C-N 3.27Å; N162-Q164 PolarHBondContact O-N 3.27Å |
| 163 | G | 71.6 | Confident | 88.2 | Confident | 68 Ų | 68 | 29.4 Ų | 29.4 | 70% | 0.701 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 7.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V161 | V161-G163 PolarHBondContact O-N 3.37Å; V161-G163 VanDerWaalsContact O-N 3.15Å |
| 164 | Q | 78.1 | Confident | 87.8 | Confident | 112 Ų | 112 | 31.4 Ų | 31.4 | 52% | 0.523 | 19% | 0.186 | S | C | . | . | B | Isolated β-bridge | trans | -132.8 | 159.7 | 176.4 | -64.7 | -173.4 | -8.2 | 0 | 0 | 111.3 | V161 N162 | V161-Q164 PolarHBondContact N-O 3.19Å; V161-Q164 PolarHBondContact O-N 2.94Å; N162-Q164 VanDerWaalsContact C-N 3.27Å; N162-Q164 PolarHBondContact O-N 3.27Å |
| 165 | C | 85.3 | Confident | 87 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.034 | 19% | 0.194 | C | C | . | . | trans | -149.6 | 103.6 | 174.7 | -165.5 | 0 | 0 | 0 | 0 | 107.1 | P159 P167 K189 T190 N191 | P159-C165 PolarHBondContact O-SG 2.58Å; P159-C165 VanDerWaalsContact O-SG 3.33Å; C165-P167 VanDerWaalsContact O-CD 3.27Å; C165-P167 WeakPolarHBondContact O-CD 3.31Å; C165-K189 CarbonylContact O-C 3.51Å; C165-K189 WeakPolarHBondContact O-CA 3.44Å; C165-K189 PolarHBondContact O-N 3.05Å; C165-K189 VanDerWaalsContact O-N 3.09Å; C165-T190 PolarHBondContact O-N 3.24Å; C165-T190 PolarHBondContact SG-O 2.96Å; C165-N191 HydrophobicContact CB-CB 4.35Å | ||
| 166 | D | 91.4 | Very high | 85.6 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 10% | 0.102 | 23% | 0.227 | C | C | . | . | trans | -116.5 | 68.4 | 179.3 | -73 | -1.4 | 0 | 0 | 0 | 109.7 | V186 K187 R188 K189 N232 A233 | D166-V186 HydrophobicContact CB-CG1 4.07Å; D166-K187 CarbonylContact C-O 3.58Å; D166-K187 WeakPolarHBondContact CA-O 3.43Å; D166-R188 VanDerWaalsContact OD1-CA 3.27Å; D166-R188 WeakPolarHBondContact OD1-CA 3.36Å; D166-K189 PolarHBondContact OD1-N 2.99Å; D166-N232 PolarHBondContact N-OD1 2.74Å; D166-A233 HydrophobicContact CB-CB 4.32Å; D166-A233 WeakPolarHBondContact O-CB 3.41Å; D166-A233 PolarHBondContact O-N 2.83Å | ||
| 167 | P | 93.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 147.9 | -167.5 | 29.9 | -40 | 0 | 0 | 0 | 115.2 | L158 C165 K187 T190 P193 F195 W231 L243 | L158-P167 HydrophobicContact CD1-CB 3.5Å; L158-P167 VanDerWaalsContact CD1-CB 3.5Å; L158-P167 HydrophobicContact CD1-CG 3.84Å; C165-P167 VanDerWaalsContact O-CD 3.27Å; C165-P167 WeakPolarHBondContact O-CD 3.31Å; P167-K187 WeakPolarHBondContact CD-O 3.2Å; P167-K187 VanDerWaalsContact N-O 3.14Å; P167-K187 PolarHBondContact O-N 2.86Å; P167-T190 WeakPolarHBondContact CD-O 3.43Å; P167-T190 WeakPolarHBondContact CG-O 3.31Å; P167-P193 HydrophobicContact CB-CG 4.06Å; P167-P193 HydrophobicContact CG-CB 3.64Å; P167-P193 HydrophobicContact CG-CG 3.47Å; P167-P193 VanDerWaalsContact CG-CG 3.47Å; P167-F195 HydrophobicContact CB-CZ 4.4Å; P167-W231 CarbonylContact C-O 3.51Å; P167-W231 WeakPolarHBondContact CA-O 3.5Å; P167-L243 HydrophobicContact CB-CD1 4.08Å |
| 168 | Y | 95.5 | Very high | 83.2 | Confident | 12 Ų | 12 | 47 Ų | 47 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 154.8 | 161.4 | 74.4 | -92.4 | 0 | 0 | 0 | 111.1 | A170 K183 V186 W231 A233 D240 | Y168-A170 HydrophobicContact CE2-CB 4.46Å; Y168-K183 HydrophobicContact CD2-CB 4.39Å; Y168-K183 HydrophobicContact CD2-CD 4.26Å; Y168-K183 HydrophobicContact CD2-CG 4.41Å; Y168-K183 HydrophobicContact CE2-CD 3.8Å; Y168-K183 HydrophobicContact CE2-CG 4.24Å; Y168-V186 HydrophobicContact CD1-CG2 4.11Å; Y168-V186 HydrophobicContact CG-CG2 4.4Å; Y168-W231 HydrophobicContact CD1-CB 3.94Å; Y168-W231 HydrophobicContact CD2-CB 4.36Å; Y168-W231 HydrophobicContact CE1-CB 3.43Å; Y168-W231 VanDerWaalsContact CE1-CB 3.43Å; Y168-W231 HydrophobicContact CE1-CG 4.24Å; Y168-W231 HydrophobicContact CE2-CB 3.83Å; Y168-W231 AromaticContact CE2-CD1 3.68Å; Y168-W231 AromaticContact CE2-CG 3.91Å; Y168-W231 HydrophobicContact CE2-CG 3.91Å; Y168-W231 HydrophobicContact CG-CB 4.39Å; Y168-W231 AromaticContact CZ-CD1 3.89Å; Y168-W231 AromaticContact CZ-CG 3.64Å; Y168-W231 PolarHBondContact N-O 2.83Å; Y168-W231 PolarHBondContact O-N 2.87Å; Y168-A233 HydrophobicContact CD1-CB 4.15Å; Y168-A233 HydrophobicContact CE1-CB 4.38Å; Y168-D240 HydrophobicContact CE1-CB 4.22Å; Y168-D240 WeakPolarHBondContact CE1-OD2 3.39Å; Y168-D240 PolarHBondContact OH-OD2 2.75Å; Y168-D240 VanDerWaalsContact OH-OD2 3.06Å |
| 169 | A | 96.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 138 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | V152 K183 T184 V228 D229 L230 | V152-A169 HydrophobicContact CG1-CB 4.12Å; A169-K183 CarbonylContact O-C 3.49Å; A169-K183 VanDerWaalsContact O-CA 3.27Å; A169-K183 WeakPolarHBondContact O-CA 3.43Å; A169-T184 HydrophobicContact CB-CG2 3.86Å; A169-T184 PolarHBondContact N-OG1 3.15Å; A169-T184 PolarHBondContact O-N 2.69Å; A169-V228 HydrophobicContact CB-CG1 4.2Å; A169-D229 CarbonylContact C-O 3.59Å; A169-D229 WeakPolarHBondContact CA-O 3.45Å; A169-L230 HydrophobicContact CB-CD1 3.77Å; A169-L230 HydrophobicContact CB-CD2 4.42Å |
| 170 | A | 95.3 | Very high | 82 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 119.9 | 169 | 0 | 0 | 0 | 0 | 0 | 109 | Y168 K182 K183 V228 D229 | Y168-A170 HydrophobicContact CE2-CB 4.46Å; A170-K182 CarbonylContact C-O 3.54Å; A170-K182 WeakPolarHBondContact CA-O 3.48Å; A170-K183 HydrophobicContact CB-CG 4.28Å; A170-V228 WeakPolarHBondContact O-CA 3.49Å; A170-D229 PolarHBondContact N-O 2.92Å; A170-D229 PolarHBondContact O-N 2.8Å |
| 171 | V | 95.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.4 | -172.8 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | T150 V152 A181 K182 F199 F201 L226 R227 V228 | T150-V171 HydrophobicContact CG2-CG1 3.82Å; V152-V171 HydrophobicContact CG2-CG2 3.57Å; V171-A181 CarbonylContact O-C 3.59Å; V171-A181 WeakPolarHBondContact O-CA 3.44Å; V171-K182 PolarHBondContact N-O 3.19Å; V171-K182 PolarHBondContact O-N 2.94Å; V171-F199 HydrophobicContact CB-CD2 4.03Å; V171-F199 HydrophobicContact CB-CE2 4.37Å; V171-F199 HydrophobicContact CB-CG 4.47Å; V171-F199 HydrophobicContact CG1-CD2 4.33Å; V171-F199 HydrophobicContact CG2-CD2 3.7Å; V171-F199 HydrophobicContact CG2-CE2 3.68Å; V171-F201 HydrophobicContact CB-CZ 4.25Å; V171-F201 HydrophobicContact CG1-CE2 3.69Å; V171-F201 HydrophobicContact CG1-CZ 3.73Å; V171-L226 HydrophobicContact CG1-CD1 3.72Å; V171-L226 HydrophobicContact CG1-CG 4.4Å; V171-R227 WeakPolarHBondContact CA-O 3.34Å; V171-V228 HydrophobicContact CG1-CG2 4.25Å; V171-V228 HydrophobicContact CG2-CG1 4.31Å; V171-V228 HydrophobicContact CG2-CG2 4.32Å |
| 172 | S | 92.8 | Very high | 83.1 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 145.4 | 178.5 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | R227 | S172-R227 PolarHBondContact N-O 2.66Å; S172-R227 PolarHBondContact O-N 3.19Å |
| 173 | L | 89.9 | Confident | 84.2 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 118.7 | 171.2 | -177.3 | 62.8 | 0 | 0 | 0 | 109.4 | L148 S179 F201 V203 L224 L250 | L148-L173 HydrophobicContact CD2-CD1 4.06Å; L173-S179 WeakPolarHBondContact CA-OG 3.27Å; L173-S179 PolarHBondContact N-OG 3.16Å; L173-S179 PolarHBondContact O-OG 2.8Å; L173-F201 HydrophobicContact CB-CB 4.17Å; L173-F201 HydrophobicContact CB-CD1 3.9Å; L173-F201 HydrophobicContact CB-CG 4Å; L173-F201 HydrophobicContact CD2-CB 3.85Å; L173-V203 HydrophobicContact CD2-CG2 4.36Å; L173-L224 HydrophobicContact CD1-CB 4.47Å; L173-L250 HydrophobicContact CD1-CD1 4.03Å; L173-L250 HydrophobicContact CD1-CG 4.45Å |
| 174 | L | 86.3 | Confident | 85.4 | Confident | 61 Ų | 61 | 55.5 Ų | 55.5 | 32% | 0.319 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 123.1 | 175.5 | -55.7 | 177.5 | 0 | 0 | 0 | 109.3 | L224 A225 R227 R247 | L174-L224 WeakPolarHBondContact O-CA 3.23Å; L174-L224 WeakPolarHBondContact O-CD2 3.38Å; L174-A225 WeakPolarHBondContact CA-O 3.32Å; L174-A225 VanDerWaalsContact CB-O 3.24Å; L174-A225 WeakPolarHBondContact CB-O 3.45Å; L174-A225 PolarHBondContact N-O 3.26Å; L174-A225 PolarHBondContact O-N 2.82Å; L174-R227 HydrophobicContact CD1-CB 3.83Å; L174-R227 HydrophobicContact CD2-CB 4.34Å; L174-R227 HydrophobicContact CG-CB 3.91Å; L174-R247 HydrophobicContact CD1-CG 4.48Å |
| 175 | G | 77.9 | Confident | 86.2 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -161.4 | -177 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S177 L224 | G175-S177 PolarHBondContact O-N 2.83Å; G175-L224 VanDerWaalsContact CA-CD2 3.43Å |
| 176 | P | 65.5 | Low | 86.5 | Confident | 106 Ų | 106 | 60.4 Ų | 60.4 | 69% | 0.688 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -55.4 | -37.3 | 174.4 | -19.9 | 30.1 | 0 | 0 | 0 | 112.2 | E219 | P176-E219 WeakPolarHBondContact CD-OE1 3.4Å; P176-E219 WeakPolarHBondContact CD-OE2 3.48Å; P176-E219 HydrophobicContact CG-CG 4.37Å; P176-E219 WeakPolarHBondContact CG-OE1 3.39Å |
| 177 | S | 64.7 | Low | 86.6 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -95.5 | 133.2 | 175.6 | 67.4 | 0 | 0 | 0 | 0 | 111.7 | G175 S179 R205 | G175-S177 PolarHBondContact O-N 2.83Å; S177-S179 PolarHBondContact O-N 2.83Å; S177-R205 VanDerWaalsContact CB-NH1 3.33Å; S177-R205 PolarHBondContact OG-NH1 2.94Å |
| 178 | R | 60.6 | Low | 86.3 | Confident | 245 Ų | 245 | 71.9 Ų | 71.9 | 93% | 0.925 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 128 | -179.6 | -72.6 | -174 | 178.1 | -178.1 | 0.6 | 110.2 | ||
| 179 | S | 73.1 | Confident | 85.8 | Confident | 34 Ų | 34 | 79.5 Ų | 79.5 | 24% | 0.238 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -102.4 | 141.9 | 165.5 | 72.4 | 0 | 0 | 0 | 0 | 110.2 | L173 S177 | L173-S179 WeakPolarHBondContact CA-OG 3.27Å; L173-S179 PolarHBondContact N-OG 3.16Å; L173-S179 PolarHBondContact O-OG 2.8Å; S177-S179 PolarHBondContact O-N 2.83Å |
| 180 | E | 79.9 | Confident | 85.4 | Confident | 173 Ų | 173 | 81.4 Ų | 81.4 | 81% | 0.808 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -72 | 141.5 | 173.3 | -73.8 | -171.4 | 164.4 | 0 | 0 | 110.9 | K182 | E180-K182 PolarHBondContact O-N 3.32Š|
| 181 | A | 87.9 | Confident | 85 | Confident | 61 Ų | 61 | 81.9 Ų | 81.9 | 50% | 0.504 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -73 | 123.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V171 | V171-A181 CarbonylContact O-C 3.59Å; V171-A181 WeakPolarHBondContact O-CA 3.44Å |
| 182 | K | 93.5 | Very high | 84.8 | Confident | 86 Ų | 86 | 84.5 Ų | 84.5 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 141.2 | 173.8 | -59.5 | -177.9 | 178.7 | -175.3 | 0 | 109.3 | A170 V171 E180 F199 Y200 F201 | A170-K182 CarbonylContact C-O 3.54Å; A170-K182 WeakPolarHBondContact CA-O 3.48Å; V171-K182 PolarHBondContact N-O 3.19Å; V171-K182 PolarHBondContact O-N 2.94Å; E180-K182 PolarHBondContact O-N 3.32Å; K182-F199 HydrophobicContact CB-CD1 3.38Å; K182-F199 HydrophobicContact CB-CE1 3.7Å; K182-F199 HydrophobicContact CB-CG 4.11Å; K182-F199 HydrophobicContact CD-CB 4.16Å; K182-F199 HydrophobicContact CD-CD1 3.89Å; K182-F199 HydrophobicContact CD-CG 4.43Å; K182-F199 HydrophobicContact CG-CD1 4.25Å; K182-Y200 PolarHBondContact NZ-O 3.16Å; K182-F201 HydrophobicContact CD-CE1 4.2Å; K182-F201 HydrophobicContact CD-CZ 4.17Å; K182-F201 HydrophobicContact CG-CE1 4.4Å; K182-F201 HydrophobicContact CG-CZ 4.42Å |
| 183 | K | 95.3 | Very high | 84.8 | Confident | 124 Ų | 124 | 83.7 Ų | 83.7 | 54% | 0.539 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143.8 | -174.8 | -62.7 | -175.9 | -180 | -170.6 | 0 | 111.8 | Y168 A169 A170 | Y168-K183 HydrophobicContact CD2-CB 4.39Å; Y168-K183 HydrophobicContact CD2-CD 4.26Å; Y168-K183 HydrophobicContact CD2-CG 4.41Å; Y168-K183 HydrophobicContact CE2-CD 3.8Å; Y168-K183 HydrophobicContact CE2-CG 4.24Å; A169-K183 CarbonylContact O-C 3.49Å; A169-K183 VanDerWaalsContact O-CA 3.27Å; A169-K183 WeakPolarHBondContact O-CA 3.43Å; A170-K183 HydrophobicContact CB-CG 4.28Å |
| 184 | T | 95.8 | Very high | 84.9 | Confident | 11 Ų | 11 | 87 Ų | 87 | 7% | 0.067 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 169.3 | 168.7 | 66.8 | 0 | 0 | 0 | 0 | 111.2 | V152 A169 F195 E197 F199 | V152-T184 HydrophobicContact CB-CG2 4.49Å; A169-T184 HydrophobicContact CB-CG2 3.86Å; A169-T184 PolarHBondContact N-OG1 3.15Å; A169-T184 PolarHBondContact O-N 2.69Å; T184-F195 HydrophobicContact CG2-CB 4.32Å; T184-F195 HydrophobicContact CG2-CD1 4.07Å; T184-F195 HydrophobicContact CG2-CG 4.19Å; T184-F195 WeakPolarHBondContact OG1-CD1 3.45Å; T184-F195 WeakPolarHBondContact OG1-CE1 3.43Å; T184-E197 WeakPolarHBondContact CA-OE2 3.49Å; T184-E197 WeakPolarHBondContact CB-OE1 3.46Å; T184-E197 HydrophobicContact CG2-CB 4.21Å; T184-F199 HydrophobicContact CG2-CE2 3.76Å; T184-F199 HydrophobicContact CG2-CZ 3.66Å |
| 185 | K | 94.1 | Very high | 85.3 | Confident | 155 Ų | 155 | 84.5 Ų | 84.5 | 67% | 0.674 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 144.9 | 165.7 | -64.9 | 177.3 | -176.2 | 172.5 | 0 | 110.5 | K187 E197 | K185-K187 PolarHBondContact O-N 2.69Å; K185-E197 PolarHBondContact N-OE1 3.43Å; K185-E197 PolarHBondContact N-OE2 2.99Å |
| 186 | V | 93.4 | Very high | 86.1 | Confident | 65 Ų | 65 | 89.6 Ų | 89.6 | 39% | 0.394 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 126.3 | 174.1 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | D166 Y168 R188 A233 | D166-V186 HydrophobicContact CB-CG1 4.07Å; Y168-V186 HydrophobicContact CD1-CG2 4.11Å; Y168-V186 HydrophobicContact CG-CG2 4.4Å; V186-R188 HydrophobicContact CG1-CG 4.44Å; V186-A233 HydrophobicContact CG1-CB 3.7Å; V186-A233 HydrophobicContact CG2-CB 3.93Å |
| 187 | K | 92.1 | Very high | 87.5 | Confident | 70 Ų | 70 | 86.4 Ų | 86.4 | 30% | 0.304 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -99 | 129 | 171.2 | -60 | -69.8 | 167.4 | 146.3 | 0 | 107.8 | D166 P167 K185 T190 P193 Q194 F195 | D166-K187 CarbonylContact C-O 3.58Å; D166-K187 WeakPolarHBondContact CA-O 3.43Å; P167-K187 WeakPolarHBondContact CD-O 3.2Å; P167-K187 VanDerWaalsContact N-O 3.14Å; P167-K187 PolarHBondContact O-N 2.86Å; K185-K187 PolarHBondContact O-N 2.69Å; K187-T190 HydrophobicContact CB-CG2 3.9Å; K187-P193 HydrophobicContact CB-CB 3.83Å; K187-P193 HydrophobicContact CG-CB 3.91Å; K187-Q194 WeakPolarHBondContact CD-O 3.16Å; K187-Q194 WeakPolarHBondContact CE-O 3.32Å; K187-Q194 PolarHBondContact NZ-O 2.84Å; K187-F195 HydrophobicContact CG-CD1 3.96Å; K187-F195 HydrophobicContact CG-CE1 3.78Å |
| 188 | R | 88.4 | Confident | 88.9 | Confident | 190 Ų | 190 | 87.3 Ų | 87.3 | 72% | 0.717 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -99.1 | 144.5 | -172.2 | -65 | -175.3 | 178.6 | 178.7 | -1.6 | 112.7 | D166 V186 T190 | D166-R188 VanDerWaalsContact OD1-CA 3.27Å; D166-R188 WeakPolarHBondContact OD1-CA 3.36Å; V186-R188 HydrophobicContact CG1-CG 4.44Å; R188-T190 VanDerWaalsContact C-N 3.29Å; R188-T190 PolarHBondContact O-N 3.42Å |
| 189 | K | 84.9 | Confident | 90.5 | Very high | 172 Ų | 172 | 76.5 Ų | 76.5 | 75% | 0.748 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 53.1 | 43.1 | 172.7 | -57.9 | -178.1 | 179.1 | -178.4 | 0 | 112.9 | C165 D166 | C165-K189 CarbonylContact O-C 3.51Å; C165-K189 WeakPolarHBondContact O-CA 3.44Å; C165-K189 PolarHBondContact O-N 3.05Å; C165-K189 VanDerWaalsContact O-N 3.09Å; D166-K189 PolarHBondContact OD1-N 2.99Å |
| 190 | T | 86.2 | Confident | 91.3 | Very high | 39 Ų | 39 | 81.5 Ų | 81.5 | 24% | 0.239 | 38% | 0.383 | C | S | . | . | trans | -145.1 | 132.1 | 177.7 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | C165 P167 K187 R188 N192 P193 | C165-T190 PolarHBondContact O-N 3.24Å; C165-T190 PolarHBondContact SG-O 2.96Å; P167-T190 WeakPolarHBondContact CD-O 3.43Å; P167-T190 WeakPolarHBondContact CG-O 3.31Å; K187-T190 HydrophobicContact CB-CG2 3.9Å; R188-T190 VanDerWaalsContact C-N 3.29Å; R188-T190 PolarHBondContact O-N 3.42Å; T190-N192 VanDerWaalsContact C-N 3.34Å; T190-N192 PolarHBondContact OG1-N 3.37Å; T190-N192 PolarHBondContact OG1-O 3.2Å; T190-P193 HydrophobicContact CG2-CB 4.1Å | ||
| 191 | N | 88 | Confident | 91.7 | Very high | 22 Ų | 22 | 73.8 Ų | 73.8 | 12% | 0.118 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -94.5 | 4.1 | 169.4 | 68.9 | -36.5 | 0 | 0 | 0 | 112.4 | G157 L158 I160 C165 K643 | G157-N191 PolarHBondContact N-O 3.02Å; L158-N191 HydrophobicContact CB-CB 4.34Å; L158-N191 WeakPolarHBondContact CB-O 3.41Å; L158-N191 PolarHBondContact N-O 2.94Å; L158-N191 WeakPolarHBondContact O-CB 3.34Å; I160-N191 HydrophobicContact CG1-CB 4.38Å; C165-N191 HydrophobicContact CB-CB 4.35Å; N191-K643 PolarHBondContact ND2-NZ 3.16Å; N191-K643 VanDerWaalsContact ND2-NZ 3.12Å |
| 192 | N | 90.6 | Very high | 91.3 | Very high | 55 Ų | 55 | 76 Ų | 76 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -128.8 | 65.5 | 174.5 | -54.9 | -63.2 | 0 | 0 | 0 | 109.9 | C155 Q156 G157 T190 | C155-N192 CarbonylContact O-C 3.55Å; C155-N192 VanDerWaalsContact O-C 3.3Å; C155-N192 WeakPolarHBondContact O-CA 3.38Å; Q156-N192 VanDerWaalsContact CA-OD1 3.27Å; Q156-N192 WeakPolarHBondContact CA-OD1 3.42Å; G157-N192 PolarHBondContact N-OD1 3.25Å; T190-N192 VanDerWaalsContact C-N 3.34Å; T190-N192 PolarHBondContact OG1-N 3.37Å; T190-N192 PolarHBondContact OG1-O 3.2Å |
| 193 | P | 92.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | trans | -71.1 | 137.3 | -175.9 | 31.3 | -38.2 | 0 | 0 | 0 | 112.5 | E154 C155 L158 P167 K187 T190 F195 | E154-P193 CarbonylContact C-O 3.56Å; E154-P193 VanDerWaalsContact CA-O 3.24Å; E154-P193 WeakPolarHBondContact CA-O 3.48Å; E154-P193 WeakPolarHBondContact CB-O 3.42Å; C155-P193 HydrophobicContact CB-CG 3.79Å; C155-P193 PolarHBondContact N-O 2.92Å; C155-P193 WeakPolarHBondContact O-CD 3.45Å; L158-P193 HydrophobicContact CD1-CG 3.7Å; P167-P193 HydrophobicContact CB-CG 4.06Å; P167-P193 HydrophobicContact CG-CB 3.64Å; P167-P193 HydrophobicContact CG-CG 3.47Å; P167-P193 VanDerWaalsContact CG-CG 3.47Å; K187-P193 HydrophobicContact CB-CB 3.83Å; K187-P193 HydrophobicContact CG-CB 3.91Å; T190-P193 HydrophobicContact CG2-CB 4.1Å; P193-F195 HydrophobicContact CB-CD2 4.48Å; P193-F195 HydrophobicContact CB-CE1 4.1Å; P193-F195 HydrophobicContact CB-CE2 3.86Å; P193-F195 HydrophobicContact CB-CZ 3.64Å; P193-F195 HydrophobicContact CG-CD2 4.46Å; P193-F195 HydrophobicContact CG-CE2 3.56Å; P193-F195 HydrophobicContact CG-CZ 3.59Å | ||
| 194 | Q | 92.9 | Very high | 89 | Confident | 84 Ų | 84 | 66.7 Ų | 66.7 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 115.4 | 165.9 | -59 | -65.3 | -36.5 | 0 | 0 | 108.2 | E154 K187 | E154-Q194 VanDerWaalsContact CB-OE1 3.25Å; E154-Q194 PolarHBondContact OE2-NE2 2.99Å; K187-Q194 WeakPolarHBondContact CD-O 3.16Å; K187-Q194 WeakPolarHBondContact CE-O 3.32Å; K187-Q194 PolarHBondContact NZ-O 2.84Å |
| 195 | F | 94.1 | Very high | 87 | Confident | 9 Ų | 9 | 72.3 Ų | 72.3 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -57.3 | -179.7 | -63.1 | -69.4 | 0 | 0 | 0 | 111.2 | V152 L153 P167 T184 K187 P193 E197 L230 | V152-F195 HydrophobicContact CG1-CB 4.45Å; V152-F195 HydrophobicContact CG1-CD2 3.82Å; V152-F195 HydrophobicContact CG1-CE2 4.49Å; V152-F195 HydrophobicContact CG1-CG 4.41Å; V152-F195 WeakPolarHBondContact O-CB 3.29Å; L153-F195 WeakPolarHBondContact O-CA 3.41Å; L153-F195 PolarHBondContact O-N 2.98Å; P167-F195 HydrophobicContact CB-CZ 4.4Å; T184-F195 HydrophobicContact CG2-CB 4.32Å; T184-F195 HydrophobicContact CG2-CD1 4.07Å; T184-F195 HydrophobicContact CG2-CG 4.19Å; T184-F195 WeakPolarHBondContact OG1-CD1 3.45Å; T184-F195 WeakPolarHBondContact OG1-CE1 3.43Å; K187-F195 HydrophobicContact CG-CD1 3.96Å; K187-F195 HydrophobicContact CG-CE1 3.78Å; P193-F195 HydrophobicContact CB-CD2 4.48Å; P193-F195 HydrophobicContact CB-CE1 4.1Å; P193-F195 HydrophobicContact CB-CE2 3.86Å; P193-F195 HydrophobicContact CB-CZ 3.64Å; P193-F195 HydrophobicContact CG-CD2 4.46Å; P193-F195 HydrophobicContact CG-CE2 3.56Å; P193-F195 HydrophobicContact CG-CZ 3.59Å; F195-E197 VanDerWaalsContact C-N 3.27Å; F195-E197 PolarHBondContact O-N 3.12Å; F195-L230 HydrophobicContact CE2-CD1 4.15Å; F195-L230 HydrophobicContact CZ-CD1 4.3Å |
| 196 | E | 93.6 | Very high | 84.6 | Confident | 138 Ų | 138 | 69.4 Ų | 69.4 | 65% | 0.645 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54.7 | 37.6 | -173.8 | -57.8 | -178.1 | 175.3 | 0 | 0 | 113.6 | V152 L153 | V152-E196 PolarHBondContact O-N 2.92Å; V152-E196 VanDerWaalsContact O-N 3.14Å; L153-E196 PolarHBondContact O-N 3.13Å |
| 197 | E | 95.7 | Very high | 82 | Confident | 40 Ų | 40 | 73.3 Ų | 73.3 | 19% | 0.187 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.3 | -175.7 | -66.9 | -176.8 | -126.2 | 0 | 0 | 111.8 | R151 V152 T184 K185 F195 F199 | R151-E197 WeakPolarHBondContact CA-O 3.43Å; V152-E197 PolarHBondContact N-O 3Å; V152-E197 PolarHBondContact O-N 2.73Å; V152-E197 VanDerWaalsContact O-N 3.14Å; T184-E197 WeakPolarHBondContact CA-OE2 3.49Å; T184-E197 WeakPolarHBondContact CB-OE1 3.46Å; T184-E197 HydrophobicContact CG2-CB 4.21Å; K185-E197 PolarHBondContact N-OE1 3.43Å; K185-E197 PolarHBondContact N-OE2 2.99Å; F195-E197 VanDerWaalsContact C-N 3.27Å; F195-E197 PolarHBondContact O-N 3.12Å; E197-F199 HydrophobicContact CB-CE2 4.29Å; E197-F199 HydrophobicContact CB-CZ 4.23Å |
| 198 | T | 94.6 | Very high | 79.4 | Confident | 59 Ų | 59 | 74.3 Ų | 74.3 | 36% | 0.362 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.2 | -178.9 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | A149 T150 R151 Y200 | A149-T198 HydrophobicContact CB-CG2 4.31Å; T150-T198 CarbonylContact O-C 3.51Å; T150-T198 WeakPolarHBondContact O-CA 3.42Å; R151-T198 WeakPolarHBondContact CD-OG1 3.37Å; T198-Y200 HydrophobicContact CG2-CE1 4.32Å; T198-Y200 HydrophobicContact CG2-CE2 4.07Å |
| 199 | F | 93.6 | Very high | 77.1 | Confident | 19 Ų | 19 | 76.9 Ų | 76.9 | 8% | 0.083 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 140.1 | 177.1 | -56.8 | -74.3 | 0 | 0 | 0 | 110.5 | A149 T150 V152 V171 K182 T184 E197 F201 | A149-F199 CarbonylContact C-O 3.44Å; A149-F199 WeakPolarHBondContact CA-O 3.37Å; T150-F199 PolarHBondContact N-O 3.39Å; T150-F199 PolarHBondContact O-N 3.31Å; V152-F199 HydrophobicContact CG2-CD2 4.36Å; V152-F199 HydrophobicContact CG2-CE2 4.12Å; V171-F199 HydrophobicContact CB-CD2 4.03Å; V171-F199 HydrophobicContact CB-CE2 4.37Å; V171-F199 HydrophobicContact CB-CG 4.47Å; V171-F199 HydrophobicContact CG1-CD2 4.33Å; V171-F199 HydrophobicContact CG2-CD2 3.7Å; V171-F199 HydrophobicContact CG2-CE2 3.68Å; K182-F199 HydrophobicContact CB-CD1 3.38Å; K182-F199 HydrophobicContact CB-CE1 3.7Å; K182-F199 HydrophobicContact CB-CG 4.11Å; K182-F199 HydrophobicContact CD-CB 4.16Å; K182-F199 HydrophobicContact CD-CD1 3.89Å; K182-F199 HydrophobicContact CD-CG 4.43Å; K182-F199 HydrophobicContact CG-CD1 4.25Å; T184-F199 HydrophobicContact CG2-CE2 3.76Å; T184-F199 HydrophobicContact CG2-CZ 3.66Å; E197-F199 HydrophobicContact CB-CE2 4.29Å; E197-F199 HydrophobicContact CB-CZ 4.23Å; F199-F201 HydrophobicContact CB-CE2 3.71Å; F199-F201 HydrophobicContact CB-CZ 4.11Å |
| 200 | Y | 90.3 | Very high | 75.1 | Confident | 139 Ų | 139 | 74.1 Ų | 74.1 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.8 | 178.7 | -60.8 | -85.5 | 0 | 0 | 0 | 110.9 | L148 A149 K182 T198 | L148-Y200 CarbonylContact O-C 3.57Å; L148-Y200 WeakPolarHBondContact O-CA 3.29Å; A149-Y200 HydrophobicContact CB-CD1 3.93Å; A149-Y200 HydrophobicContact CB-CE1 3.77Å; K182-Y200 PolarHBondContact NZ-O 3.16Å; T198-Y200 HydrophobicContact CG2-CE1 4.32Å; T198-Y200 HydrophobicContact CG2-CE2 4.07Å |
| 201 | F | 87.8 | Confident | 72.8 | Confident | 11 Ų | 11 | 81.9 Ų | 81.9 | 5% | 0.048 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.5 | 175.4 | -58.9 | -86.4 | 0 | 0 | 0 | 109.9 | K147 L148 V171 L173 K182 F199 L226 | K147-F201 CarbonylContact C-O 3.56Å; K147-F201 WeakPolarHBondContact CA-O 3.19Å; L148-F201 HydrophobicContact CB-CB 4.42Å; L148-F201 PolarHBondContact N-O 2.84Å; L148-F201 PolarHBondContact O-N 2.92Å; V171-F201 HydrophobicContact CB-CZ 4.25Å; V171-F201 HydrophobicContact CG1-CE2 3.69Å; V171-F201 HydrophobicContact CG1-CZ 3.73Å; L173-F201 HydrophobicContact CB-CB 4.17Å; L173-F201 HydrophobicContact CB-CD1 3.9Å; L173-F201 HydrophobicContact CB-CG 4Å; L173-F201 HydrophobicContact CD2-CB 3.85Å; K182-F201 HydrophobicContact CD-CE1 4.2Å; K182-F201 HydrophobicContact CD-CZ 4.17Å; K182-F201 HydrophobicContact CG-CE1 4.4Å; K182-F201 HydrophobicContact CG-CZ 4.42Å; F199-F201 HydrophobicContact CB-CE2 3.71Å; F199-F201 HydrophobicContact CB-CZ 4.11Å; F201-L226 HydrophobicContact CE2-CD1 4.21Å |
| 202 | E | 80.1 | Confident | 70.6 | Confident | 107 Ų | 107 | 92.7 Ų | 92.7 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 128 | 173 | -66.4 | 178.3 | 167.6 | 0 | 0 | 108.7 | ||
| 203 | V | 74.8 | Confident | 68.2 | Low | 5 Ų | 5 | 97.8 Ų | 97.8 | 3% | 0.03 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -97.4 | -32.4 | -176.9 | 173.8 | 0 | 0 | 0 | 0 | 111 | L134 H146 L148 L173 V221 L224 | L134-V203 HydrophobicContact CD1-CB 4.42Å; L134-V203 HydrophobicContact CD1-CG2 3.86Å; H146-V203 HydrophobicContact CB-CB 3.93Å; H146-V203 HydrophobicContact CB-CG1 4.26Å; H146-V203 WeakPolarHBondContact O-CB 3.4Å; H146-V203 PolarHBondContact O-N 2.91Å; L148-V203 HydrophobicContact CB-CG2 3.7Å; L173-V203 HydrophobicContact CD2-CG2 4.36Å; V203-V221 HydrophobicContact CG1-CG2 4.32Å; V203-L224 HydrophobicContact CG1-CD1 3.61Å |
| 204 | T | 65.4 | Low | 65.8 | Low | 10 Ų | 10 | 107.3 Ų | 107.3 | 6% | 0.061 | 50% | 0.5 | C | S | . | . | trans | -113.6 | 128.7 | 174.1 | 11 | 0 | 0 | 0 | 0 | 109 | H146 E218 | H146-T204 WeakPolarHBondContact CB-OG1 3.18Å; H146-T204 PolarHBondContact N-OG1 2.86Å; H146-T204 PolarHBondContact ND1-OG1 3.1Å; T204-E218 HydrophobicContact CG2-CG 4.39Å | ||
| 205 | R | 53.1 | Low | 63 | Low | 128 Ų | 128 | 109.3 Ų | 109.3 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | trans | -116.7 | 126.8 | 174.6 | -77.1 | -178.3 | 172.4 | 162.7 | -2.6 | 109.7 | S177 L207 | S177-R205 VanDerWaalsContact CB-NH1 3.33Å; S177-R205 PolarHBondContact OG-NH1 2.94Å; R205-L207 PolarHBondContact O-N 3.29Å | ||
| 206 | P | 44.4 | Very low | 60.5 | Low | 94 Ų | 94 | 113.1 Ų | 113.1 | 61% | 0.61 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 129.9 | 166.1 | 6.7 | 0.1 | 0 | 0 | 0 | 109.6 | ||
| 207 | L | 38.3 | Very low | 58.1 | Low | 148 Ų | 148 | 114.5 Ų | 114.5 | 78% | 0.775 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 146.7 | 169.6 | -82.9 | 153.4 | 0 | 0 | 0 | 110.1 | R205 | R205-L207 PolarHBondContact O-N 3.29Š|
| 208 | S | 38.4 | Very low | 56 | Low | 90 Ų | 90 | 119.3 Ų | 119.3 | 63% | 0.629 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 157.9 | -173.8 | 63.5 | 0 | 0 | 0 | 0 | 114.4 | T210 | S208-T210 PolarHBondContact O-N 3.24Š|
| 209 | Y | 40.5 | Very low | 54.1 | Low | 245 Ų | 245 | 119.2 Ų | 119.2 | 96% | 0.961 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -55.5 | 33.8 | -178.1 | -82.5 | -88.3 | 0 | 0 | 0 | 117.8 | ||
| 210 | T | 42.3 | Very low | 52.6 | Low | 113 Ų | 113 | 121.8 Ų | 121.8 | 69% | 0.693 | 58% | 0.577 | S | S | * | * | trans | -140 | 61.9 | -178.4 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | S208 | S208-T210 PolarHBondContact O-N 3.24Š| ||
| 211 | K | 37 | Very low | 51.3 | Low | 202 Ų | 202 | 117.5 Ų | 117.5 | 88% | 0.878 | 56% | 0.564 | S | S | * | * | trans | -178.2 | 137.9 | 140.3 | -105.2 | 168.1 | 179.5 | -178.5 | 0 | 110.1 | Q213 | K211-Q213 VanDerWaalsContact C-N 3.3Å; K211-Q213 PolarHBondContact O-N 3.49Å | ||
| 212 | R | 42 | Very low | 50.2 | Low | 250 Ų | 250 | 121.7 Ų | 121.7 | 94% | 0.943 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -70.5 | 81.3 | 174.9 | -68.6 | 179.5 | 178.3 | -179.6 | -1.3 | 109.9 | ||
| 213 | Q | 40.3 | Very low | 49.9 | Very low | 162 Ų | 162 | 123.8 Ų | 123.8 | 76% | 0.757 | 60% | 0.595 | S | S | * | * | trans | -169.5 | 127 | 157.6 | -118.2 | 162.1 | -23.3 | 0 | 0 | 109.3 | K211 D215 | K211-Q213 VanDerWaalsContact C-N 3.3Å; K211-Q213 PolarHBondContact O-N 3.49Å; Q213-D215 VanDerWaalsContact C-N 3.26Å; Q213-D215 PolarHBondContact O-N 3.06Å | ||
| 214 | F | 43.2 | Very low | 50.3 | Low | 201 Ų | 201 | 123.7 Ų | 123.7 | 88% | 0.882 | 59% | 0.594 | S | S | * | * | trans | -80.1 | 64.9 | -179.9 | -79.8 | -95.1 | 0 | 0 | 0 | 110.9 | ||||
| 215 | D | 34.2 | Very low | 51.4 | Low | 126 Ų | 126 | 123.4 Ų | 123.4 | 67% | 0.674 | 59% | 0.593 | S | S | * | * | trans | -99.6 | 101.6 | 169.5 | -68.9 | -30.4 | 0 | 0 | 0 | 108.5 | Q213 E217 | Q213-D215 VanDerWaalsContact C-N 3.26Å; Q213-D215 PolarHBondContact O-N 3.06Å; D215-E217 PolarHBondContact O-N 3.13Å | ||
| 216 | V | 41 | Very low | 53.3 | Low | 89 Ų | 89 | 117.3 Ų | 117.3 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | trans | -79 | 102.4 | 165.8 | 179 | 0 | 0 | 0 | 0 | 106.1 | E218 | V216-E218 HydrophobicContact CG1-CG 4.3Å; V216-E218 PolarHBondContact O-N 3.26Å; V216-E218 VanDerWaalsContact O-N 3.11Å | ||
| 217 | E | 44 | Very low | 55.6 | Low | 167 Ų | 167 | 116 Ų | 116 | 78% | 0.78 | 55% | 0.553 | S | S | * | * | trans | -72.3 | 100.1 | 160.1 | -76 | -170.8 | 172.7 | 0 | 0 | 106.9 | D215 E219 | D215-E217 PolarHBondContact O-N 3.13Å; E217-E219 PolarHBondContact O-N 3.19Å; E217-E219 VanDerWaalsContact O-N 3.12Å | ||
| 218 | E | 50.6 | Low | 58.3 | Low | 140 Ų | 140 | 109 Ų | 109 | 65% | 0.654 | 52% | 0.516 | S | S | * | . | trans | -57 | 115.3 | 164.7 | -73.6 | -175.3 | 155.9 | 0 | 0 | 107.6 | T204 V216 D220 | T204-E218 HydrophobicContact CG2-CG 4.39Å; V216-E218 HydrophobicContact CG1-CG 4.3Å; V216-E218 PolarHBondContact O-N 3.26Å; V216-E218 VanDerWaalsContact O-N 3.11Å; E218-D220 PolarHBondContact O-N 2.98Å | ||
| 219 | E | 54.2 | Low | 60.9 | Low | 57 Ų | 57 | 105.6 Ų | 105.6 | 27% | 0.266 | 49% | 0.491 | S | S | . | . | trans | -60.2 | 112.7 | 167.2 | -79.9 | -168.3 | 172.7 | 0 | 0 | 106.7 | P176 E217 V221 | P176-E219 WeakPolarHBondContact CD-OE1 3.4Å; P176-E219 WeakPolarHBondContact CD-OE2 3.48Å; P176-E219 HydrophobicContact CG-CG 4.37Å; P176-E219 WeakPolarHBondContact CG-OE1 3.39Å; E217-E219 PolarHBondContact O-N 3.19Å; E217-E219 VanDerWaalsContact O-N 3.12Å; E219-V221 PolarHBondContact O-N 3.29Å | ||
| 220 | D | 62.8 | Low | 63.5 | Low | 74 Ų | 74 | 93.9 Ų | 93.9 | 40% | 0.396 | 45% | 0.445 | S | S | . | . | trans | -47.8 | 108.1 | 178 | -177 | 1.2 | 0 | 0 | 0 | 109.6 | E218 D222 K223 | E218-D220 PolarHBondContact O-N 2.98Å; D220-D222 PolarHBondContact O-N 3.47Å; D220-D222 WeakPolarHBondContact OD1-CB 3.17Å; D220-D222 PolarHBondContact OD1-N 3.22Å; D220-K223 HydrophobicContact CB-CD 4.08Å; D220-K223 HydrophobicContact CB-CG 4.23Å; D220-K223 WeakPolarHBondContact O-CB 3.34Å; D220-K223 PolarHBondContact O-N 3.43Å; D220-K223 WeakPolarHBondContact OD2-CE 3.34Å; D220-K223 IonicContact OD2-NZ 3.46Å | ||
| 221 | V | 63.3 | Low | 65.9 | Low | 48 Ų | 48 | 91 Ų | 91 | 29% | 0.291 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -54.9 | -26.3 | -175.2 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | V203 E219 K223 L224 L250 | V203-V221 HydrophobicContact CG1-CG2 4.32Å; E219-V221 PolarHBondContact O-N 3.29Å; V221-K223 PolarHBondContact O-N 3.44Å; V221-L224 PolarHBondContact O-N 3.42Å; V221-L250 HydrophobicContact CG1-CB 3.75Å; V221-L250 HydrophobicContact CG1-CD1 4.41Å |
| 222 | D | 65.3 | Low | 68.5 | Low | 100 Ų | 100 | 81.8 Ų | 81.8 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -66.5 | -19.1 | 177.1 | -70.5 | -23.9 | 0 | 0 | 0 | 113.9 | D220 | D220-D222 PolarHBondContact O-N 3.47Å; D220-D222 WeakPolarHBondContact OD1-CB 3.17Å; D220-D222 PolarHBondContact OD1-N 3.22Å |
| 223 | K | 72.6 | Confident | 70.7 | Confident | 151 Ų | 151 | 70.9 Ų | 70.9 | 66% | 0.657 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -92.9 | -12.8 | 177.7 | -62.7 | 178 | -172.1 | 158.7 | 0 | 113.2 | D220 V221 | D220-K223 HydrophobicContact CB-CD 4.08Å; D220-K223 HydrophobicContact CB-CG 4.23Å; D220-K223 WeakPolarHBondContact O-CB 3.34Å; D220-K223 PolarHBondContact O-N 3.43Å; D220-K223 WeakPolarHBondContact OD2-CE 3.34Å; D220-K223 IonicContact OD2-NZ 3.46Å; V221-K223 PolarHBondContact O-N 3.44Å |
| 224 | L | 84 | Confident | 72.6 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | trans | -86.2 | 144.9 | 180 | -66 | 176.8 | 0 | 0 | 0 | 111.8 | L173 L174 G175 V203 V221 L250 | L173-L224 HydrophobicContact CD1-CB 4.47Å; L174-L224 WeakPolarHBondContact O-CA 3.23Å; L174-L224 WeakPolarHBondContact O-CD2 3.38Å; G175-L224 VanDerWaalsContact CA-CD2 3.43Å; V203-L224 HydrophobicContact CG1-CD1 3.61Å; V221-L224 PolarHBondContact O-N 3.42Å; L224-L250 HydrophobicContact CB-CB 4.38Å; L224-L250 HydrophobicContact CB-CD1 3.61Å; L224-L250 HydrophobicContact CB-CG 3.88Å; L224-L250 HydrophobicContact CD1-CD1 4.06Å; L224-L250 PolarHBondContact O-N 3Å | ||
| 225 | A | 88.8 | Confident | 73.6 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 134.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L174 R247 V248 | L174-A225 WeakPolarHBondContact CA-O 3.32Å; L174-A225 VanDerWaalsContact CB-O 3.24Å; L174-A225 WeakPolarHBondContact CB-O 3.45Å; L174-A225 PolarHBondContact N-O 3.26Å; L174-A225 PolarHBondContact O-N 2.82Å; A225-R247 HydrophobicContact CB-CG 3.93Å; A225-V248 CarbonylContact C-O 3.56Å; A225-V248 WeakPolarHBondContact CA-O 3.15Å |
| 226 | L | 91.6 | Very high | 74.9 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 135.8 | 167.8 | -173.9 | 77.2 | 0 | 0 | 0 | 109.7 | L132 L148 T150 V171 F201 V228 R247 V248 L250 | L132-L226 HydrophobicContact CD1-CD2 4.42Å; L132-L226 HydrophobicContact CD2-CD2 3.46Å; L132-L226 VanDerWaalsContact CD2-CD2 3.46Å; L148-L226 HydrophobicContact CD2-CD1 4.39Å; T150-L226 HydrophobicContact CG2-CD1 4.04Å; T150-L226 HydrophobicContact CG2-CD2 3.38Å; T150-L226 HydrophobicContact CG2-CG 4.32Å; V171-L226 HydrophobicContact CG1-CD1 3.72Å; V171-L226 HydrophobicContact CG1-CG 4.4Å; F201-L226 HydrophobicContact CE2-CD1 4.21Å; L226-V228 HydrophobicContact CD2-CG2 3.8Å; L226-V228 HydrophobicContact CG-CG2 4.12Å; L226-R247 CarbonylContact O-C 3.55Å; L226-R247 WeakPolarHBondContact O-CA 3.16Å; L226-V248 HydrophobicContact CB-CB 4.39Å; L226-V248 PolarHBondContact N-O 3.06Å; L226-V248 PolarHBondContact O-N 2.77Å; L226-L250 HydrophobicContact CB-CD2 4.44Å |
| 227 | R | 92.9 | Very high | 75.5 | Confident | 67 Ų | 67 | 68 Ų | 68 | 25% | 0.253 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.7 | 169.4 | 178.5 | 173.6 | 177.4 | 168.7 | -4.8 | 110 | V171 S172 L174 D229 V246 | V171-R227 WeakPolarHBondContact CA-O 3.34Å; S172-R227 PolarHBondContact N-O 2.66Å; S172-R227 PolarHBondContact O-N 3.19Å; L174-R227 HydrophobicContact CD1-CB 3.83Å; L174-R227 HydrophobicContact CD2-CB 4.34Å; L174-R227 HydrophobicContact CG-CB 3.91Å; R227-D229 IonicContact CZ-OD1 2.77Å; R227-D229 IonicContact CZ-OD2 2.97Å; R227-D229 VanDerWaalsContact CZ-OD2 3.26Å; R227-D229 VanDerWaalsContact NE-CG 3.33Å; R227-D229 IonicContact NE-OD1 2.75Å; R227-D229 PolarHBondContact NE-OD1 3.41Å; R227-D229 IonicContact NE-OD2 2.67Å; R227-D229 PolarHBondContact NE-OD2 2.83Å; R227-D229 IonicContact NH2-OD1 3.4Å; R227-D229 IonicContact NH2-OD2 2.96Å; R227-D229 PolarHBondContact NH2-OD2 3.45Å; R227-V246 WeakPolarHBondContact CA-O 3.18Å |
| 228 | V | 94.4 | Very high | 76.3 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 111.5 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | L130 A169 A170 V171 L226 L230 G245 V246 | L130-V228 HydrophobicContact CD1-CG2 3.95Å; L130-V228 HydrophobicContact CD2-CG1 4.48Å; L130-V228 HydrophobicContact CD2-CG2 4.12Å; A169-V228 HydrophobicContact CB-CG1 4.2Å; A170-V228 WeakPolarHBondContact O-CA 3.49Å; V171-V228 HydrophobicContact CG1-CG2 4.25Å; V171-V228 HydrophobicContact CG2-CG1 4.31Å; V171-V228 HydrophobicContact CG2-CG2 4.32Å; L226-V228 HydrophobicContact CD2-CG2 3.8Å; L226-V228 HydrophobicContact CG-CG2 4.12Å; V228-L230 HydrophobicContact CG1-CD2 3.87Å; V228-G245 CarbonylContact O-C 3.54Å; V228-G245 WeakPolarHBondContact O-CA 3.2Å; V228-V246 HydrophobicContact CB-CG1 3.85Å; V228-V246 HydrophobicContact CG2-CG1 4.42Å; V228-V246 PolarHBondContact N-O 3.49Å; V228-V246 PolarHBondContact O-N 3.05Å |
| 229 | D | 94.4 | Very high | 77.5 | Confident | 19 Ų | 19 | 64.4 Ų | 64.4 | 10% | 0.102 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.5 | 177.8 | -73.4 | -13.4 | 0 | 0 | 0 | 109.7 | A169 A170 R227 W231 F242 | A169-D229 CarbonylContact C-O 3.59Å; A169-D229 WeakPolarHBondContact CA-O 3.45Å; A170-D229 PolarHBondContact N-O 2.92Å; A170-D229 PolarHBondContact O-N 2.8Å; R227-D229 IonicContact CZ-OD1 2.77Å; R227-D229 IonicContact CZ-OD2 2.97Å; R227-D229 VanDerWaalsContact CZ-OD2 3.26Å; R227-D229 VanDerWaalsContact NE-CG 3.33Å; R227-D229 IonicContact NE-OD1 2.75Å; R227-D229 PolarHBondContact NE-OD1 3.41Å; R227-D229 IonicContact NE-OD2 2.67Å; R227-D229 PolarHBondContact NE-OD2 2.83Å; R227-D229 IonicContact NH2-OD1 3.4Å; R227-D229 IonicContact NH2-OD2 2.96Å; R227-D229 PolarHBondContact NH2-OD2 3.45Å; D229-W231 VanDerWaalsContact O-CD1 3.26Å; D229-F242 HydrophobicContact CB-CE2 3.93Å |
| 230 | L | 94.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 140.6 | 176.9 | -77.7 | -68.1 | 0 | 0 | 0 | 110 | A169 F195 V228 F242 L243 G244 L265 | A169-L230 HydrophobicContact CB-CD1 3.77Å; A169-L230 HydrophobicContact CB-CD2 4.42Å; F195-L230 HydrophobicContact CE2-CD1 4.15Å; F195-L230 HydrophobicContact CZ-CD1 4.3Å; V228-L230 HydrophobicContact CG1-CD2 3.87Å; L230-F242 WeakPolarHBondContact O-CD2 3.46Å; L230-L243 HydrophobicContact CB-CB 4.11Å; L230-L243 PolarHBondContact O-N 3.22Å; L230-G244 WeakPolarHBondContact CB-O 3.38Å; L230-G244 PolarHBondContact N-O 3.09Å; L230-L265 HydrophobicContact CD2-CD2 3.9Å; L230-L265 HydrophobicContact CG-CD1 4.34Å; L230-L265 HydrophobicContact CG-CD2 4.38Å |
| 231 | W | 92.8 | Very high | 80.3 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 19% | 0.193 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 145.1 | -174.6 | -61.8 | 88 | 0 | 0 | 0 | 110.9 | P167 Y168 D229 D240 E241 F242 | P167-W231 CarbonylContact C-O 3.51Å; P167-W231 WeakPolarHBondContact CA-O 3.5Å; Y168-W231 HydrophobicContact CD1-CB 3.94Å; Y168-W231 HydrophobicContact CD2-CB 4.36Å; Y168-W231 HydrophobicContact CE1-CB 3.43Å; Y168-W231 VanDerWaalsContact CE1-CB 3.43Å; Y168-W231 HydrophobicContact CE1-CG 4.24Å; Y168-W231 HydrophobicContact CE2-CB 3.83Å; Y168-W231 AromaticContact CE2-CD1 3.68Å; Y168-W231 AromaticContact CE2-CG 3.91Å; Y168-W231 HydrophobicContact CE2-CG 3.91Å; Y168-W231 HydrophobicContact CG-CB 4.39Å; Y168-W231 AromaticContact CZ-CD1 3.89Å; Y168-W231 AromaticContact CZ-CG 3.64Å; Y168-W231 PolarHBondContact N-O 2.83Å; Y168-W231 PolarHBondContact O-N 2.87Å; D229-W231 VanDerWaalsContact O-CD1 3.26Å; W231-D240 HydrophobicContact CE3-CB 4.18Å; W231-E241 CarbonylContact C-O 3.55Å; W231-E241 VanDerWaalsContact CA-O 3.26Å; W231-E241 WeakPolarHBondContact CA-O 3.26Å; W231-F242 HydrophobicContact CD2-CD2 4.44Å; W231-F242 HydrophobicContact CE3-CB 4.15Å; W231-F242 HydrophobicContact CZ3-CB 4.19Å |
| 232 | N | 91.3 | Very high | 81.6 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 115 | 169.7 | 179.9 | 42.9 | 0 | 0 | 0 | 108.6 | D166 S234 D240 E241 L243 | D166-N232 PolarHBondContact N-OD1 2.74Å; N232-S234 PolarHBondContact O-N 3.07Å; N232-D240 WeakPolarHBondContact O-CA 3.19Å; N232-E241 HydrophobicContact CB-CB 4.35Å; N232-E241 PolarHBondContact N-O 3.17Å; N232-E241 PolarHBondContact ND2-OE2 2.82Å; N232-E241 PolarHBondContact O-N 2.92Å; N232-E241 VanDerWaalsContact O-N 3.07Å; N232-L243 HydrophobicContact CB-CD1 3.92Å; N232-L243 HydrophobicContact CB-CD2 3.59Å; N232-L243 HydrophobicContact CB-CG 3.95Å |
| 233 | A | 89.3 | Confident | 82.7 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | trans | -66.9 | 124 | 177 | 0 | 0 | 0 | 0 | 0 | 109.7 | D166 Y168 V186 D240 | D166-A233 HydrophobicContact CB-CB 4.32Å; D166-A233 WeakPolarHBondContact O-CB 3.41Å; D166-A233 PolarHBondContact O-N 2.83Å; Y168-A233 HydrophobicContact CD1-CB 4.15Å; Y168-A233 HydrophobicContact CE1-CB 4.38Å; V186-A233 HydrophobicContact CG1-CB 3.7Å; V186-A233 HydrophobicContact CG2-CB 3.93Å; A233-D240 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 234 | S | 79.1 | Confident | 83.6 | Confident | 29 Ų | 29 | 50.5 Ų | 50.5 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | trans | -118.4 | 132.5 | -179.8 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | N232 L236 G239 D240 | N232-S234 PolarHBondContact O-N 3.07Å; S234-L236 PolarHBondContact O-N 2.55Å; S234-L236 WeakPolarHBondContact OG-CB 2.99Å; S234-L236 PolarHBondContact OG-N 2.81Å; S234-G239 WeakPolarHBondContact CB-O 3.41Å; S234-D240 PolarHBondContact N-OD1 3.35Å | ||
| 235 | N | 65.3 | Low | 84 | Confident | 163 Ų | 163 | 50.7 Ų | 50.7 | 87% | 0.872 | 26% | 0.257 | S | S | * | . | trans | -82.3 | 1.8 | 170.2 | -66.7 | -28 | 0 | 0 | 0 | 112.2 | ||||
| 236 | L | 61.6 | Low | 84.2 | Confident | 113 Ų | 113 | 51 Ų | 51 | 59% | 0.592 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -86.8 | 156.9 | -178.3 | -62.7 | 166.3 | 0 | 0 | 0 | 111 | S234 F238 G239 | S234-L236 PolarHBondContact O-N 2.55Å; S234-L236 WeakPolarHBondContact OG-CB 2.99Å; S234-L236 PolarHBondContact OG-N 2.81Å; L236-F238 PolarHBondContact O-N 2.9Å; L236-G239 PolarHBondContact O-N 2.92Å |
| 237 | K | 53.9 | Low | 84.2 | Confident | 211 Ų | 211 | 57 Ų | 57 | 92% | 0.917 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -5.5 | -177.3 | -70.8 | -173.4 | 176.7 | -177.1 | 0 | 115.6 | ||
| 238 | F | 59.4 | Low | 84.1 | Confident | 195 Ų | 195 | 53.8 Ų | 53.8 | 86% | 0.855 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.7 | -171.5 | -60.4 | -74.9 | 0 | 0 | 0 | 114.3 | L236 | L236-F238 PolarHBondContact O-N 2.9Š|
| 239 | G | 77.1 | Confident | 83.8 | Confident | 38 Ų | 38 | 54.5 Ų | 54.5 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | trans | 78.1 | 178.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S234 L236 | S234-G239 WeakPolarHBondContact CB-O 3.41Å; L236-G239 PolarHBondContact O-N 2.92Å | ||
| 240 | D | 85.9 | Confident | 83.4 | Confident | 65 Ų | 65 | 53.7 Ų | 53.7 | 35% | 0.348 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 138.6 | -179.6 | -60.7 | -29.5 | 0 | 0 | 0 | 111 | Y168 W231 N232 A233 S234 | Y168-D240 HydrophobicContact CE1-CB 4.22Å; Y168-D240 WeakPolarHBondContact CE1-OD2 3.39Å; Y168-D240 PolarHBondContact OH-OD2 2.75Å; Y168-D240 VanDerWaalsContact OH-OD2 3.06Å; W231-D240 HydrophobicContact CE3-CB 4.18Å; N232-D240 WeakPolarHBondContact O-CA 3.19Å; A233-D240 WeakPolarHBondContact CA-OD1 3.39Å; S234-D240 PolarHBondContact N-OD1 3.35Å |
| 241 | E | 88.3 | Confident | 82.7 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 136.8 | -177.3 | -71.7 | 171.9 | 138.5 | 0 | 0 | 110.9 | V161 W231 N232 | V161-E241 WeakPolarHBondContact CB-OE2 3.43Å; V161-E241 VanDerWaalsContact CG1-CD 3.48Å; V161-E241 WeakPolarHBondContact CG1-OE2 3.36Å; W231-E241 CarbonylContact C-O 3.55Å; W231-E241 VanDerWaalsContact CA-O 3.26Å; W231-E241 WeakPolarHBondContact CA-O 3.26Å; N232-E241 HydrophobicContact CB-CB 4.35Å; N232-E241 PolarHBondContact N-O 3.17Å; N232-E241 PolarHBondContact ND2-OE2 2.82Å; N232-E241 PolarHBondContact O-N 2.92Å; N232-E241 VanDerWaalsContact O-N 3.07Å |
| 242 | F | 90.6 | Very high | 82.2 | Confident | 12 Ų | 12 | 57 Ų | 57 | 5% | 0.053 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 134.3 | 178.7 | -179.5 | -112.4 | 0 | 0 | 0 | 111.3 | V124 D229 L230 W231 G244 G245 R268 | V124-F242 HydrophobicContact CG2-CD1 4.41Å; V124-F242 HydrophobicContact CG2-CE1 4.08Å; D229-F242 HydrophobicContact CB-CE2 3.93Å; L230-F242 WeakPolarHBondContact O-CD2 3.46Å; W231-F242 HydrophobicContact CD2-CD2 4.44Å; W231-F242 HydrophobicContact CE3-CB 4.15Å; W231-F242 HydrophobicContact CZ3-CB 4.19Å; F242-G244 VanDerWaalsContact CE1-CA 3.41Å; F242-G244 VanDerWaalsContact CE2-C 3.42Å; F242-G244 WeakPolarHBondContact CE2-O 3.43Å; F242-G245 VanDerWaalsContact CZ-N 3.27Å; F242-R268 HydrophobicContact CD1-CG 4.01Å; F242-R268 HydrophobicContact CE1-CG 3.5Å; F242-R268 HydrophobicContact CE2-CG 4.13Å; F242-R268 HydrophobicContact CZ-CG 3.52Å |
| 243 | L | 89.3 | Confident | 81.8 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -12.6 | -179.9 | -55 | 178 | 0 | 0 | 0 | 113.5 | L158 P159 V161 P167 L230 N232 | L158-L243 HydrophobicContact CD1-CD1 4.25Å; P159-L243 HydrophobicContact CG-CB 3.85Å; P159-L243 HydrophobicContact CG-CD2 3.66Å; P159-L243 HydrophobicContact CG-CG 4.28Å; V161-L243 HydrophobicContact CG2-CD2 3.73Å; P167-L243 HydrophobicContact CB-CD1 4.08Å; L230-L243 HydrophobicContact CB-CB 4.11Å; L230-L243 PolarHBondContact O-N 3.22Å; N232-L243 HydrophobicContact CB-CD1 3.92Å; N232-L243 HydrophobicContact CB-CD2 3.59Å; N232-L243 HydrophobicContact CB-CG 3.95Å |
| 244 | G | 92 | Very high | 81.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.6 | 160.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L230 F242 | L230-G244 WeakPolarHBondContact CB-O 3.38Å; L230-G244 PolarHBondContact N-O 3.09Å; F242-G244 VanDerWaalsContact CE1-CA 3.41Å; F242-G244 VanDerWaalsContact CE2-C 3.42Å; F242-G244 WeakPolarHBondContact CE2-O 3.43Å |
| 245 | G | 92.4 | Very high | 80.6 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 164.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V228 F242 L266 | V228-G245 CarbonylContact O-C 3.54Å; V228-G245 WeakPolarHBondContact O-CA 3.2Å; F242-G245 VanDerWaalsContact CZ-N 3.27Å; G245-L266 PolarHBondContact N-O 2.95Å; G245-L266 PolarHBondContact O-N 2.98Å |
| 246 | V | 92.8 | Very high | 80.9 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 140.6 | 173 | 61.6 | 0 | 0 | 0 | 0 | 109.8 | V128 L130 R227 V228 V248 Y263 | V128-V246 HydrophobicContact CG1-CG1 3.76Å; L130-V246 HydrophobicContact CD1-CG1 3.82Å; R227-V246 WeakPolarHBondContact CA-O 3.18Å; V228-V246 HydrophobicContact CB-CG1 3.85Å; V228-V246 HydrophobicContact CG2-CG1 4.42Å; V228-V246 PolarHBondContact N-O 3.49Å; V228-V246 PolarHBondContact O-N 3.05Å; V246-V248 HydrophobicContact CG1-CG2 4.46Å; V246-V248 HydrophobicContact CG2-CG2 3.79Å; V246-Y263 HydrophobicContact CG2-CD1 3.64Å; V246-Y263 HydrophobicContact CG2-CE1 4.41Å; V246-Y263 HydrophobicContact CG2-CG 3.79Å |
| 247 | R | 91.3 | Very high | 81.7 | Confident | 126 Ų | 126 | 57.6 Ų | 57.6 | 48% | 0.475 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 118.5 | 170.7 | -175.9 | 179.3 | 175.3 | -146.7 | -4.2 | 108.9 | L174 A225 L226 P249 E269 | L174-R247 HydrophobicContact CD1-CG 4.48Å; A225-R247 HydrophobicContact CB-CG 3.93Å; L226-R247 CarbonylContact O-C 3.55Å; L226-R247 WeakPolarHBondContact O-CA 3.16Å; R247-P249 WeakPolarHBondContact O-CD 3.43Å; R247-E269 IonicContact NH1-OE2 3.64Å |
| 248 | V | 89.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 101.9 | -178 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | L130 L132 A225 L226 V246 V252 Y263 | L130-V248 HydrophobicContact CD1-CG2 4.13Å; L132-V248 HydrophobicContact CD1-CG1 3.87Å; A225-V248 CarbonylContact C-O 3.56Å; A225-V248 WeakPolarHBondContact CA-O 3.15Å; L226-V248 HydrophobicContact CB-CB 4.39Å; L226-V248 PolarHBondContact N-O 3.06Å; L226-V248 PolarHBondContact O-N 2.77Å; V246-V248 HydrophobicContact CG1-CG2 4.46Å; V246-V248 HydrophobicContact CG2-CG2 3.79Å; V248-V252 HydrophobicContact CG1-CG1 4.38Å; V248-V252 HydrophobicContact CG1-CG2 3.72Å; V248-Y263 HydrophobicContact CG1-CE1 4.4Å; V248-Y263 VanDerWaalsContact CG1-OH 3.27Å; V248-Y263 WeakPolarHBondContact CG1-OH 3.47Å; V248-Y263 HydrophobicContact CG2-CD1 4.24Å; V248-Y263 HydrophobicContact CG2-CD2 4.46Å; V248-Y263 HydrophobicContact CG2-CE1 3.78Å; V248-Y263 HydrophobicContact CG2-CE2 4.04Å |
| 249 | P | 88.3 | Confident | 84.7 | Confident | 16 Ų | 16 | 41.9 Ų | 41.9 | 10% | 0.104 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 135.6 | 168.9 | -26.9 | 34.8 | 0 | 0 | 0 | 111.8 | R247 R251 V252 F819 | R247-P249 WeakPolarHBondContact O-CD 3.43Å; P249-R251 HydrophobicContact CB-CG 3.9Å; P249-R251 PolarHBondContact O-N 2.87Å; P249-V252 WeakPolarHBondContact O-CG1 3.35Å; P249-V252 VanDerWaalsContact O-CG2 3.31Å; P249-V252 WeakPolarHBondContact O-CG2 3.38Å; P249-V252 PolarHBondContact O-N 3.07Å; P249-F819 HydrophobicContact CG-CE1 3.9Å; P249-F819 HydrophobicContact CG-CZ 3.82Å |
| 250 | L | 85.7 | Confident | 85.4 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -69.5 | -16.8 | -176.4 | -66.4 | -165.2 | 0 | 0 | 0 | 114.1 | L148 L173 V221 L224 L226 V252 L253 | L148-L250 HydrophobicContact CD1-CD2 4.33Å; L148-L250 HydrophobicContact CD2-CD1 4.16Å; L148-L250 HydrophobicContact CD2-CD2 3.73Å; L173-L250 HydrophobicContact CD1-CD1 4.03Å; L173-L250 HydrophobicContact CD1-CG 4.45Å; V221-L250 HydrophobicContact CG1-CB 3.75Å; V221-L250 HydrophobicContact CG1-CD1 4.41Å; L224-L250 HydrophobicContact CB-CB 4.38Å; L224-L250 HydrophobicContact CB-CD1 3.61Å; L224-L250 HydrophobicContact CB-CG 3.88Å; L224-L250 HydrophobicContact CD1-CD1 4.06Å; L224-L250 PolarHBondContact O-N 3Å; L226-L250 HydrophobicContact CB-CD2 4.44Å; L250-V252 PolarHBondContact O-N 3.27Å; L250-L253 HydrophobicContact CB-CD1 4.24Å; L250-L253 HydrophobicContact CD2-CD1 4.25Å; L250-L253 WeakPolarHBondContact O-CB 3.27Å; L250-L253 WeakPolarHBondContact O-CD1 3.49Å; L250-L253 WeakPolarHBondContact O-CG 3.14Å; L250-L253 PolarHBondContact O-N 3.3Å |
| 251 | R | 81.3 | Confident | 85.8 | Confident | 119 Ų | 119 | 41.7 Ų | 41.7 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -53 | -19.7 | 171.8 | 67.4 | -178.4 | 174.4 | -136.8 | 0.9 | 115 | P249 L253 G254 I823 | P249-R251 HydrophobicContact CB-CG 3.9Å; P249-R251 PolarHBondContact O-N 2.87Å; R251-L253 PolarHBondContact O-N 2.97Å; R251-G254 PolarHBondContact O-N 3.45Å; R251-I823 HydrophobicContact CG-CD1 4.33Å |
| 252 | V | 82.6 | Confident | 86 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -65.8 | -18.4 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 113.7 | L132 V248 P249 L250 G254 H259 F819 Y822 I823 Q826 | L132-V252 HydrophobicContact CD1-CG2 4.43Å; V248-V252 HydrophobicContact CG1-CG1 4.38Å; V248-V252 HydrophobicContact CG1-CG2 3.72Å; P249-V252 WeakPolarHBondContact O-CG1 3.35Å; P249-V252 VanDerWaalsContact O-CG2 3.31Å; P249-V252 WeakPolarHBondContact O-CG2 3.38Å; P249-V252 PolarHBondContact O-N 3.07Å; L250-V252 PolarHBondContact O-N 3.27Å; V252-G254 VanDerWaalsContact C-N 3.27Å; V252-H259 HydrophobicContact CG2-CB 4.12Å; V252-F819 HydrophobicContact CG1-CE2 3.84Å; V252-F819 HydrophobicContact CG1-CZ 4Å; V252-Y822 HydrophobicContact CB-CE1 4.32Å; V252-Y822 HydrophobicContact CG1-CE1 4.22Å; V252-I823 HydrophobicContact CG1-CD1 3.94Å; V252-Q826 PolarHBondContact O-OE1 3.05Å |
| 253 | L | 82 | Confident | 86.1 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -71.1 | -24.9 | 179.3 | -69.6 | 162 | 0 | 0 | 0 | 112.2 | L132 L134 L148 L250 R251 G257 H259 | L132-L253 HydrophobicContact CB-CD2 3.75Å; L134-L253 HydrophobicContact CB-CD1 4.16Å; L148-L253 HydrophobicContact CD1-CD1 4.04Å; L250-L253 HydrophobicContact CB-CD1 4.24Å; L250-L253 HydrophobicContact CD2-CD1 4.25Å; L250-L253 WeakPolarHBondContact O-CB 3.27Å; L250-L253 WeakPolarHBondContact O-CD1 3.49Å; L250-L253 WeakPolarHBondContact O-CG 3.14Å; L250-L253 PolarHBondContact O-N 3.3Å; R251-L253 PolarHBondContact O-N 2.97Å; L253-G257 PolarHBondContact O-N 3.09Å; L253-G257 VanDerWaalsContact O-N 3.08Å; L253-H259 HydrophobicContact CD2-CB 3.87Å |
| 254 | G | 74.7 | Confident | 86.2 | Confident | 52 Ų | 52 | 42 Ų | 42 | 54% | 0.536 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | -152.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R251 V252 A256 | R251-G254 PolarHBondContact O-N 3.45Å; V252-G254 VanDerWaalsContact C-N 3.27Å; G254-A256 VanDerWaalsContact C-N 3.33Å |
| 255 | Q | 68.1 | Low | 86.2 | Confident | 193 Ų | 193 | 42 Ų | 42 | 90% | 0.902 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -23.6 | 176.8 | -67.1 | 178.3 | -8.5 | 0 | 0 | 113.3 | G257 | Q255-G257 VanDerWaalsContact C-N 3.26Å; Q255-G257 PolarHBondContact O-N 3.46Å |
| 256 | A | 72.7 | Confident | 86.1 | Confident | 85 Ų | 85 | 43.9 Ų | 43.9 | 70% | 0.702 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -18 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G254 V258 | G254-A256 VanDerWaalsContact C-N 3.33Å; A256-V258 PolarHBondContact O-N 2.73Å; A256-V258 VanDerWaalsContact O-N 3.1Å |
| 257 | G | 77.3 | Confident | 85.9 | Confident | 12 Ų | 12 | 47 Ų | 47 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 12.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R133 L134 L253 Q255 | R133-G257 CarbonylContact C-O 3.48Å; R133-G257 VanDerWaalsContact CA-O 3.31Å; R133-G257 WeakPolarHBondContact CA-O 3.31Å; L134-G257 PolarHBondContact N-O 3.3Å; L253-G257 PolarHBondContact O-N 3.09Å; L253-G257 VanDerWaalsContact O-N 3.08Å; Q255-G257 VanDerWaalsContact C-N 3.26Å; Q255-G257 PolarHBondContact O-N 3.46Å |
| 258 | V | 86.1 | Confident | 85.6 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 42% | 0.424 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.4 | -178.5 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | L132 R133 A256 | L132-V258 CarbonylContact O-C 3.4Å; L132-V258 VanDerWaalsContact O-CA 3.31Å; L132-V258 WeakPolarHBondContact O-CA 3.47Å; R133-V258 HydrophobicContact CB-CG2 4.5Å; R133-V258 HydrophobicContact CG-CG2 4.09Å; A256-V258 PolarHBondContact O-N 2.73Å; A256-V258 VanDerWaalsContact O-N 3.1Å |
| 259 | H | 90.3 | Very high | 84.6 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.028 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 123.5 | 177.8 | 174.2 | 78 | 0 | 0 | 0 | 110.5 | E131 L132 V252 L253 A261 Y263 Y822 | E131-H259 CarbonylContact C-O 3.53Å; E131-H259 WeakPolarHBondContact CA-O 3.31Å; L132-H259 HydrophobicContact CB-CB 4.3Å; L132-H259 PolarHBondContact N-O 2.85Å; L132-H259 PolarHBondContact O-N 3.17Å; V252-H259 HydrophobicContact CG2-CB 4.12Å; L253-H259 HydrophobicContact CD2-CB 3.87Å; H259-A261 WeakPolarHBondContact NE2-CB 3.41Å; H259-Y263 PolarHBondContact CD2-OH 3.46Å; H259-Y263 PolarHBondContact CE1-OH 3.44Å; H259-Y263 AromaticContact NE2-CE2 3.66Å; H259-Y263 AromaticContact NE2-CZ 3.53Å; H259-Y263 PolarHBondContact NE2-OH 3.47Å; H259-Y822 AromaticContact CE1-CE1 3.88Å; H259-Y822 AromaticContact CE1-CZ 3.64Å; H259-Y822 PolarHBondContact CE1-OH 3.33Å; H259-Y822 AromaticContact ND1-CZ 3.93Å; H259-Y822 PolarHBondContact ND1-OH 3.12Å |
| 260 | D | 92.8 | Very high | 83 | Confident | 97 Ų | 97 | 56 Ų | 56 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 112.4 | -179.7 | 175.9 | 2.4 | 0 | 0 | 0 | 108.7 | H129 | H129-D260 IonicContact CD2-OD1 2.94Å; H129-D260 PolarHBondContact CD2-OD1 2.85Å; H129-D260 IonicContact CE1-OD1 3.8Å; H129-D260 IonicContact NE2-OD1 2.76Å; H129-D260 PolarHBondContact NE2-OD1 3.36Å |
| 261 | A | 92.8 | Very high | 80.9 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.017 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 156.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L130 H259 Y263 G808 I814 | L130-A261 PolarHBondContact N-O 2.88Å; L130-A261 PolarHBondContact O-N 3.17Å; H259-A261 WeakPolarHBondContact NE2-CB 3.41Å; A261-Y263 HydrophobicContact CB-CE2 3.91Å; A261-Y263 WeakPolarHBondContact O-CD2 3.37Å; A261-G808 WeakPolarHBondContact CA-O 3.33Å; A261-I814 HydrophobicContact CB-CD1 3.72Å |
| 262 | W | 94 | Very high | 78.8 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 5% | 0.053 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 139.6 | 165.1 | -72.7 | 81.1 | 0 | 0 | 0 | 111.6 | K127 V128 H129 E154 Q156 G808 Q810 P813 I814 | K127-W262 HydrophobicContact CB-CE3 4.03Å; K127-W262 HydrophobicContact CB-CZ3 4.47Å; K127-W262 HydrophobicContact CD-CD2 4.45Å; K127-W262 HydrophobicContact CD-CE3 3.68Å; K127-W262 HydrophobicContact CD-CZ3 4.02Å; K127-W262 HydrophobicContact CG-CE3 3.62Å; K127-W262 HydrophobicContact CG-CZ3 3.72Å; V128-W262 CarbonylContact O-C 3.56Å; V128-W262 WeakPolarHBondContact O-CA 3.33Å; H129-W262 HydrophobicContact CB-CD2 3.75Å; H129-W262 HydrophobicContact CB-CE3 3.88Å; H129-W262 HydrophobicContact CB-CG 4.4Å; H129-W262 HydrophobicContact CB-CH2 3.88Å; H129-W262 HydrophobicContact CB-CZ2 3.71Å; H129-W262 HydrophobicContact CB-CZ3 3.94Å; H129-W262 AromaticContact CD2-CD1 3.86Å; H129-W262 AromaticContact CD2-NE1 3.75Å; H129-W262 AromaticContact CG-CE2 3.64Å; H129-W262 AromaticContact CG-CZ2 3.95Å; H129-W262 AromaticContact CG-NE1 3.61Å; H129-W262 AromaticContact ND1-CE2 3.95Å; H129-W262 AromaticContact ND1-CZ2 3.97Å; H129-W262 AromaticContact ND1-NE1 3.81Å; E154-W262 VanDerWaalsContact CD-CH2 3.43Å; E154-W262 HydrophobicContact CG-CH2 3.52Å; E154-W262 HydrophobicContact CG-CZ2 3.9Å; E154-W262 HydrophobicContact CG-CZ3 4.39Å; E154-W262 WeakPolarHBondContact OE1-CZ2 3.14Å; Q156-W262 HydrophobicContact CB-CH2 4.48Å; Q156-W262 HydrophobicContact CB-CZ3 4.24Å; Q156-W262 HydrophobicContact CG-CH2 3.8Å; Q156-W262 HydrophobicContact CG-CZ3 4.04Å; W262-G808 PolarHBondContact N-O 3.18Å; W262-Q810 VanDerWaalsContact CD1-N 3.29Å; W262-Q810 HydrophobicContact CD2-CB 4.18Å; W262-Q810 HydrophobicContact CD2-CG 4.24Å; W262-Q810 HydrophobicContact CG-CB 4.21Å; W262-Q810 HydrophobicContact CH2-CG 4.41Å; W262-Q810 HydrophobicContact CZ2-CB 4.29Å; W262-Q810 HydrophobicContact CZ2-CG 3.93Å; W262-P813 HydrophobicContact CB-CB 3.96Å; W262-P813 HydrophobicContact CB-CG 4.15Å; W262-P813 CarbonylContact O-C 3.59Å; W262-P813 WeakPolarHBondContact O-CA 3.32Å; W262-I814 PolarHBondContact O-N 2.82Å |
| 263 | Y | 92.4 | Very high | 76.9 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.016 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.2 | 177.5 | -69.8 | -93.4 | 0 | 0 | 0 | 111.5 | K127 V128 L130 V246 V248 H259 A261 I814 | K127-Y263 CarbonylContact C-O 3.47Å; K127-Y263 WeakPolarHBondContact CA-O 3.38Å; K127-Y263 VanDerWaalsContact CB-O 3.27Å; K127-Y263 WeakPolarHBondContact CB-O 3.33Å; V128-Y263 PolarHBondContact N-O 3.09Å; V128-Y263 PolarHBondContact O-N 2.76Å; L130-Y263 HydrophobicContact CB-CD2 4.45Å; L130-Y263 HydrophobicContact CB-CE2 4.44Å; L130-Y263 HydrophobicContact CD1-CD2 4.09Å; L130-Y263 HydrophobicContact CD1-CE2 4.37Å; L130-Y263 HydrophobicContact CG-CD2 4.41Å; V246-Y263 HydrophobicContact CG2-CD1 3.64Å; V246-Y263 HydrophobicContact CG2-CE1 4.41Å; V246-Y263 HydrophobicContact CG2-CG 3.79Å; V248-Y263 HydrophobicContact CG1-CE1 4.4Å; V248-Y263 VanDerWaalsContact CG1-OH 3.27Å; V248-Y263 WeakPolarHBondContact CG1-OH 3.47Å; V248-Y263 HydrophobicContact CG2-CD1 4.24Å; V248-Y263 HydrophobicContact CG2-CD2 4.46Å; V248-Y263 HydrophobicContact CG2-CE1 3.78Å; V248-Y263 HydrophobicContact CG2-CE2 4.04Å; H259-Y263 PolarHBondContact CD2-OH 3.46Å; H259-Y263 PolarHBondContact CE1-OH 3.44Å; H259-Y263 AromaticContact NE2-CE2 3.66Å; H259-Y263 AromaticContact NE2-CZ 3.53Å; H259-Y263 PolarHBondContact NE2-OH 3.47Å; A261-Y263 HydrophobicContact CB-CE2 3.91Å; A261-Y263 WeakPolarHBondContact O-CD2 3.37Å; Y263-I814 CarbonylContact C-O 3.58Å; Y263-I814 WeakPolarHBondContact CA-O 3.23Å; Y263-I814 HydrophobicContact CD1-CB 3.61Å; Y263-I814 HydrophobicContact CD1-CG2 3.58Å; Y263-I814 HydrophobicContact CE1-CB 3.72Å; Y263-I814 HydrophobicContact CE1-CD1 3.97Å; Y263-I814 HydrophobicContact CE1-CG1 4.45Å; Y263-I814 HydrophobicContact CE1-CG2 3.44Å; Y263-I814 VanDerWaalsContact CE1-CG2 3.44Å; Y263-I814 HydrophobicContact CG-CB 4.32Å |
| 264 | F | 91.8 | Very high | 74.8 | Confident | 63 Ų | 63 | 71.4 Ų | 71.4 | 28% | 0.276 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 138.4 | 166 | -78 | -58.9 | 0 | 0 | 0 | 110.5 | K127 P813 I814 | K127-F264 HydrophobicContact CB-CD1 4.37Å; F264-P813 HydrophobicContact CD1-CB 4.34Å; F264-P813 HydrophobicContact CD1-CG 4.39Å; F264-P813 HydrophobicContact CD2-CB 3.87Å; F264-P813 HydrophobicContact CD2-CG 4.43Å; F264-P813 HydrophobicContact CE1-CB 4.35Å; F264-P813 HydrophobicContact CE1-CG 3.99Å; F264-P813 HydrophobicContact CE2-CB 3.89Å; F264-P813 HydrophobicContact CE2-CG 4.03Å; F264-P813 HydrophobicContact CG-CB 4.1Å; F264-P813 HydrophobicContact CZ-CB 4.14Å; F264-P813 HydrophobicContact CZ-CG 3.79Å; F264-I814 PolarHBondContact N-O 3.33Å |
| 265 | L | 91.9 | Very high | 73.6 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 44% | 0.437 | C | S | . | . | trans | -73 | 141.7 | 170.9 | -64.6 | 177 | 0 | 0 | 0 | 110.3 | R74 V124 Q125 G126 V128 L158 L230 | R74-L265 PolarHBondContact NH1-O 3.22Å; R74-L265 VanDerWaalsContact NH1-O 3.11Å; V124-L265 VanDerWaalsContact CG1-C 3.49Å; V124-L265 HydrophobicContact CG1-CB 3.7Å; V124-L265 WeakPolarHBondContact CG1-O 3.44Å; Q125-L265 WeakPolarHBondContact O-CD1 3.47Å; G126-L265 PolarHBondContact O-N 2.91Å; V128-L265 HydrophobicContact CB-CD2 4.22Å; V128-L265 HydrophobicContact CG1-CD2 3.85Å; L158-L265 HydrophobicContact CD2-CD1 3.36Å; L230-L265 HydrophobicContact CD2-CD2 3.9Å; L230-L265 HydrophobicContact CG-CD1 4.34Å; L230-L265 HydrophobicContact CG-CD2 4.38Å | ||
| 266 | L | 89.6 | Confident | 72.5 | Confident | 46 Ų | 46 | 73.7 Ų | 73.7 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | B | Isolated β-bridge | trans | -123.4 | 153.9 | -177.5 | -58.4 | 179.7 | 0 | 0 | 0 | 111.4 | G245 D816 | G245-L266 PolarHBondContact N-O 2.95Å; G245-L266 PolarHBondContact O-N 2.98Å; L266-D816 WeakPolarHBondContact CD2-OD1 3.48Å |
| 267 | P | 88 | Confident | 71.7 | Confident | 72 Ų | 72 | 76.4 Ų | 76.4 | 47% | 0.468 | 44% | 0.439 | S | S | . | . | trans | -57.2 | 160.9 | 167.3 | -22.6 | 34.2 | 0 | 0 | 0 | 112.4 | D121 V124 E269 | D121-P267 WeakPolarHBondContact O-CB 3.49Å; D121-P267 WeakPolarHBondContact O-CG 3.38Å; V124-P267 HydrophobicContact CB-CG 4.45Å; V124-P267 HydrophobicContact CG2-CG 4.46Å; P267-E269 PolarHBondContact O-N 3.5Å | ||
| 268 | R | 84.8 | Confident | 71 | Confident | 68 Ų | 68 | 82 Ų | 82 | 26% | 0.257 | 46% | 0.462 | S | S | . | . | trans | -65 | 133.7 | 175.8 | -69.8 | 174.2 | 175.6 | -140.8 | -15.8 | 111.7 | D121 F242 N270 | D121-R268 WeakPolarHBondContact OD1-CB 3.38Å; D121-R268 WeakPolarHBondContact OD1-CD 3.27Å; D121-R268 VanDerWaalsContact OD1-CG 3.3Å; D121-R268 WeakPolarHBondContact OD1-CG 3.44Å; D121-R268 PolarHBondContact OD1-N 3.4Å; F242-R268 HydrophobicContact CD1-CG 4.01Å; F242-R268 HydrophobicContact CE1-CG 3.5Å; F242-R268 HydrophobicContact CE2-CG 4.13Å; F242-R268 HydrophobicContact CZ-CG 3.52Å; R268-N270 PolarHBondContact O-N 3.06Å | ||
| 269 | E | 69.5 | Low | 70.8 | Confident | 145 Ų | 145 | 83.8 Ų | 83.8 | 68% | 0.678 | 47% | 0.469 | S | S | * | . | trans | -72.9 | 60.6 | 163.2 | -62.4 | -175.3 | 167.4 | 0 | 0 | 110.2 | R247 P267 G271 | R247-E269 IonicContact NH1-OE2 3.64Å; P267-E269 PolarHBondContact O-N 3.5Å; E269-G271 PolarHBondContact O-N 3.05Å | ||
| 270 | N | 54 | Low | 70.7 | Confident | 118 Ų | 118 | 84.1 Ų | 84.1 | 63% | 0.631 | 47% | 0.472 | S | S | * | . | trans | -79.8 | 105.4 | 168.4 | -85.3 | -12.9 | 0 | 0 | 0 | 108 | R268 G272 | R268-N270 PolarHBondContact O-N 3.06Å; N270-G272 PolarHBondContact O-N 2.81Å | ||
| 271 | G | 42.6 | Very low | 70.7 | Confident | 72 Ų | 72 | 79.5 Ų | 79.5 | 74% | 0.742 | 45% | 0.447 | S | S | * | . | trans | -51.6 | 123 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E269 K273 | E269-G271 PolarHBondContact O-N 3.05Å; G271-K273 PolarHBondContact O-N 2.96Å | ||
| 272 | G | 37.8 | Very low | 70.8 | Confident | 82 Ų | 82 | 80.1 Ų | 80.1 | 85% | 0.845 | 45% | 0.451 | S | S | * | . | S | Bend | trans | 59.8 | 9.2 | 145 | 0 | 0 | 0 | 0 | 0 | 119.3 | N270 S274 | N270-G272 PolarHBondContact O-N 2.81Å; G272-S274 PolarHBondContact O-N 3.2Å |
| 273 | K | 41.4 | Very low | 70.9 | Confident | 190 Ų | 190 | 79.4 Ų | 79.4 | 83% | 0.826 | 45% | 0.448 | S | S | * | . | trans | -78.3 | 90.6 | 157.1 | -73.7 | -169.3 | -178.5 | -178.2 | 0 | 105.8 | G271 V275 | G271-K273 PolarHBondContact O-N 2.96Å; K273-V275 VanDerWaalsContact C-N 3.26Å; K273-V275 PolarHBondContact O-N 3.44Å | ||
| 274 | S | 39.1 | Very low | 71.1 | Confident | 108 Ų | 108 | 83.5 Ų | 83.5 | 76% | 0.755 | 46% | 0.463 | S | S | * | . | trans | -49.4 | 101.9 | 161.6 | 49.1 | 0 | 0 | 0 | 0 | 106.7 | G272 K276 | G272-S274 PolarHBondContact O-N 3.2Å; S274-K276 PolarHBondContact O-N 2.79Å | ||
| 275 | V | 48.4 | Very low | 71.3 | Confident | 112 Ų | 112 | 80.5 Ų | 80.5 | 68% | 0.679 | 45% | 0.451 | S | S | * | . | trans | -50.7 | 117.3 | 152.3 | -179.5 | 0 | 0 | 0 | 0 | 102.2 | K273 V277 | K273-V275 VanDerWaalsContact C-N 3.26Å; K273-V275 PolarHBondContact O-N 3.44Å; V275-V277 PolarHBondContact O-N 2.96Å | ||
| 276 | K | 45.8 | Very low | 71.4 | Confident | 181 Ų | 181 | 82.4 Ų | 82.4 | 79% | 0.787 | 46% | 0.46 | S | S | * | . | trans | -44.1 | 121 | 173.5 | -82.3 | -178.6 | 175.1 | -179.7 | 0 | 105 | S274 E278 | S274-K276 PolarHBondContact O-N 2.79Å; K276-E278 PolarHBondContact O-N 2.94Å | ||
| 277 | V | 54.6 | Low | 71.6 | Confident | 142 Ų | 142 | 80.2 Ų | 80.2 | 86% | 0.861 | 45% | 0.449 | S | S | * | . | trans | -63.8 | 89.9 | 175.8 | 180 | 0 | 0 | 0 | 0 | 104.1 | V275 D279 | V275-V277 PolarHBondContact O-N 2.96Å; V277-D279 PolarHBondContact O-N 2.82Å | ||
| 278 | E | 64.3 | Low | 71.8 | Confident | 129 Ų | 129 | 78.7 Ų | 78.7 | 60% | 0.603 | 44% | 0.438 | S | S | * | . | trans | -61.3 | 119.8 | 168.2 | -74.2 | -174 | 166.3 | 0 | 0 | 104.3 | K276 L280 | K276-E278 PolarHBondContact O-N 2.94Å; E278-L280 HydrophobicContact CB-CD2 4.05Å; E278-L280 HydrophobicContact CB-CG 4.21Å; E278-L280 PolarHBondContact O-N 3.02Å | ||
| 279 | D | 81.8 | Confident | 72 | Confident | 108 Ų | 108 | 75.8 Ų | 75.8 | 58% | 0.578 | 43% | 0.428 | S | S | * | . | trans | -70.7 | 90.5 | 173.4 | -173.8 | 3.5 | 0 | 0 | 0 | 107 | V277 G281 | V277-D279 PolarHBondContact O-N 2.82Å; D279-G281 PolarHBondContact O-N 3.48Å; D279-G281 PolarHBondContact OD1-N 2.89Å | ||
| 280 | L | 87.9 | Confident | 72.8 | Confident | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.073 | 41% | 0.408 | C | S | . | . | trans | -81.9 | 1 | 179.3 | -62.9 | 176.3 | 0 | 0 | 0 | 111.7 | P25 L115 P117 E278 | P25-L280 WeakPolarHBondContact CD-O 3.31Å; P25-L280 HydrophobicContact CG-CD2 4.07Å; L115-L280 HydrophobicContact CB-CB 3.78Å; L115-L280 WeakPolarHBondContact CD1-O 3.09Å; P117-L280 HydrophobicContact CB-CD1 3.97Å; E278-L280 HydrophobicContact CB-CD2 4.05Å; E278-L280 HydrophobicContact CB-CG 4.21Å; E278-L280 PolarHBondContact O-N 3.02Å | ||
| 281 | G | 91.6 | Very high | 74.3 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | trans | 89.7 | -164.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K22 N23 Q114 L115 D279 | K22-G281 CarbonylContact O-C 3.57Å; K22-G281 WeakPolarHBondContact O-CA 3.43Å; N23-G281 VanDerWaalsContact O-CA 3.32Å; N23-G281 WeakPolarHBondContact O-CA 3.43Å; N23-G281 PolarHBondContact O-N 3.12Å; Q114-G281 PolarHBondContact OE1-O 2.82Å; L115-G281 WeakPolarHBondContact CB-O 3.16Å; L115-G281 PolarHBondContact N-O 3.23Å; D279-G281 PolarHBondContact O-N 3.48Å; D279-G281 PolarHBondContact OD1-N 2.89Å | ||
| 282 | S | 95.2 | Very high | 76.4 | Confident | 14 Ų | 14 | 66 Ų | 66 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 153 | -176 | -48.2 | 0 | 0 | 0 | 0 | 112.1 | A21 K22 F113 Q114 | A21-S282 CarbonylContact C-O 3.5Å; A21-S282 WeakPolarHBondContact CA-O 3.48Å; K22-S282 PolarHBondContact N-O 3.4Å; K22-S282 PolarHBondContact O-N 3.27Å; F113-S282 CarbonylContact O-C 3.56Å; F113-S282 WeakPolarHBondContact O-CA 3.42Å; F113-S282 WeakPolarHBondContact O-CB 3.24Å; Q114-S282 VanDerWaalsContact CD-OG 3.22Å; Q114-S282 PolarHBondContact NE2-OG 2.59Å; Q114-S282 PolarHBondContact OE1-OG 2.71Å |
| 283 | L | 96.4 | Very high | 78.8 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.1 | 178.5 | -179.1 | 64.4 | 0 | 0 | 0 | 110.4 | I18 A21 Y61 F78 I80 V96 F113 L115 L285 | I18-L283 HydrophobicContact CG2-CD1 4.49Å; A21-L283 HydrophobicContact CB-CD1 4.04Å; Y61-L283 HydrophobicContact CE2-CD1 4.25Å; F78-L283 HydrophobicContact CB-CD2 3.8Å; F78-L283 HydrophobicContact CG-CD2 4.39Å; I80-L283 HydrophobicContact CD1-CD1 4.29Å; V96-L283 HydrophobicContact CG2-CB 4.31Å; V96-L283 HydrophobicContact CG2-CD2 4.49Å; F113-L283 PolarHBondContact N-O 3.02Å; F113-L283 PolarHBondContact O-N 3.03Å; L115-L283 HydrophobicContact CD2-CB 4.4Å; L283-L285 HydrophobicContact CD2-CD1 4.02Å; L283-L285 HydrophobicContact CD2-CD2 3.86Å; L283-L285 HydrophobicContact CD2-CG 4.06Å; L283-L285 HydrophobicContact CG-CD1 4.35Å; L283-L285 HydrophobicContact CG-CD2 3.9Å; L283-L285 HydrophobicContact CG-CG 3.94Å |
| 284 | R | 96.6 | Very high | 81 | Confident | 89 Ų | 89 | 54.6 Ų | 54.6 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 121.5 | 176.2 | -172.1 | -178.6 | -179.3 | 172.7 | 4 | 110.8 | G19 E20 D110 T111 W112 | G19-R284 PolarHBondContact N-O 2.88Å; E20-R284 WeakPolarHBondContact O-CB 3.31Å; E20-R284 PolarHBondContact O-N 2.87Å; D110-R284 VanDerWaalsContact CG-NE 3.32Å; D110-R284 VanDerWaalsContact OD1-CG 3.29Å; D110-R284 WeakPolarHBondContact OD1-CG 3.39Å; D110-R284 IonicContact OD1-NE 2.72Å; D110-R284 PolarHBondContact OD1-NE 2.94Å; D110-R284 VanDerWaalsContact OD1-NE 3.1Å; D110-R284 IonicContact OD2-CZ 3.6Å; D110-R284 IonicContact OD2-NE 3.95Å; D110-R284 PolarHBondContact OD2-NE 2.76Å; D110-R284 IonicContact OD2-NH2 2.81Å; D110-R284 PolarHBondContact OD2-NH2 3.31Å; T111-R284 WeakPolarHBondContact O-CA 3.43Å; W112-R284 HydrophobicContact CD2-CB 3.87Å; W112-R284 HydrophobicContact CD2-CG 4.26Å; W112-R284 HydrophobicContact CE3-CB 3.77Å; W112-R284 HydrophobicContact CH2-CB 3.86Å; W112-R284 HydrophobicContact CZ2-CB 3.92Å; W112-R284 HydrophobicContact CZ2-CG 4.22Å; W112-R284 HydrophobicContact CZ3-CB 3.77Å |
| 285 | L | 95.9 | Very high | 83.4 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140.4 | -177.9 | -58.8 | 171.2 | 0 | 0 | 0 | 110.6 | I18 F78 V96 T111 F113 L283 I287 | I18-L285 HydrophobicContact CG1-CD2 4.37Å; I18-L285 HydrophobicContact CG2-CD2 4.3Å; F78-L285 HydrophobicContact CD1-CD1 4.04Å; F78-L285 HydrophobicContact CD1-CD2 4.08Å; F78-L285 HydrophobicContact CD2-CD1 3.48Å; F78-L285 VanDerWaalsContact CD2-CD1 3.48Å; F78-L285 HydrophobicContact CE1-CD1 4.1Å; F78-L285 HydrophobicContact CE1-CD2 4.13Å; F78-L285 HydrophobicContact CE2-CD1 3.54Å; F78-L285 HydrophobicContact CG-CD1 3.73Å; F78-L285 HydrophobicContact CG-CD2 4.48Å; F78-L285 HydrophobicContact CZ-CD1 3.84Å; V96-L285 HydrophobicContact CG1-CD1 4.42Å; T111-L285 PolarHBondContact N-O 3.49Å; T111-L285 PolarHBondContact O-N 2.98Å; F113-L285 HydrophobicContact CD2-CB 4.03Å; F113-L285 HydrophobicContact CD2-CD1 3.88Å; F113-L285 HydrophobicContact CD2-CG 4.18Å; F113-L285 HydrophobicContact CE2-CB 3.9Å; F113-L285 HydrophobicContact CE2-CD1 4.2Å; F113-L285 HydrophobicContact CE2-CG 4.49Å; L283-L285 HydrophobicContact CD2-CD1 4.02Å; L283-L285 HydrophobicContact CD2-CD2 3.86Å; L283-L285 HydrophobicContact CD2-CG 4.06Å; L283-L285 HydrophobicContact CG-CD1 4.35Å; L283-L285 HydrophobicContact CG-CD2 3.9Å; L283-L285 HydrophobicContact CG-CG 3.94Å; L285-I287 HydrophobicContact CB-CD1 4.41Å; L285-I287 HydrophobicContact CB-CG1 4.18Å; L285-I287 HydrophobicContact CD1-CD1 4.35Å |
| 286 | N | 94.9 | Very high | 85.2 | Confident | 39 Ų | 39 | 48 Ų | 48 | 21% | 0.209 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116.8 | 160.4 | -174.1 | -47.7 | 0 | 0 | 0 | 108.2 | I16 K17 G108 D110 | I16-N286 CarbonylContact C-O 3.55Å; I16-N286 WeakPolarHBondContact CA-O 3.43Å; K17-N286 HydrophobicContact CB-CB 4.14Å; K17-N286 PolarHBondContact N-O 2.9Å; K17-N286 PolarHBondContact O-N 3.13Å; G108-N286 PolarHBondContact O-ND2 3.18Å; D110-N286 HydrophobicContact CB-CB 4.41Å |
| 287 | I | 93.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 123.3 | -175.5 | -55.4 | 170.7 | 0 | 0 | 0 | 108.2 | V14 L76 F78 V98 L103 H107 G108 F113 L285 | V14-I287 HydrophobicContact CG2-CG2 3.95Å; L76-I287 HydrophobicContact CD2-CD1 4.43Å; L76-I287 HydrophobicContact CD2-CG2 4.01Å; F78-I287 HydrophobicContact CE2-CD1 3.85Å; F78-I287 HydrophobicContact CZ-CD1 3.86Å; F78-I287 HydrophobicContact CZ-CG1 4.26Å; V98-I287 HydrophobicContact CG2-CD1 4.35Å; L103-I287 HydrophobicContact CD2-CG2 4.01Å; H107-I287 CarbonylContact C-O 3.51Å; H107-I287 VanDerWaalsContact CA-O 3.26Å; H107-I287 WeakPolarHBondContact CA-O 3.32Å; G108-I287 PolarHBondContact N-O 2.84Å; F113-I287 HydrophobicContact CZ-CD1 4.44Å; L285-I287 HydrophobicContact CB-CD1 4.41Å; L285-I287 HydrophobicContact CB-CG1 4.18Å; L285-I287 HydrophobicContact CD1-CD1 4.35Å |
| 288 | V | 90.8 | Very high | 88.6 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 106.8 | 173.8 | 176.7 | 0 | 0 | 0 | 0 | 107.1 | V14 K15 T290 | V14-V288 CarbonylContact C-O 3.27Å; V14-V288 WeakPolarHBondContact CA-O 3.45Å; K15-V288 HydrophobicContact CB-CB 4.17Å; K15-V288 PolarHBondContact N-O 3.43Å; K15-V288 PolarHBondContact O-N 2.78Å; V288-T290 HydrophobicContact CG1-CG2 4.36Å |
| 289 | Y | 90.3 | Very high | 89.8 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.1 | 177.8 | 179.6 | -112.1 | 0 | 0 | 0 | 110.5 | Q12 V14 I69 F73 K100 L103 H107 E291 | Q12-Y289 PolarHBondContact NE2-OH 3.01Å; V14-Y289 HydrophobicContact CB-CD2 4.41Å; I69-Y289 HydrophobicContact CD1-CD2 4.43Å; I69-Y289 HydrophobicContact CD1-CE2 3.91Å; F73-Y289 HydrophobicContact CE1-CE2 4.04Å; F73-Y289 AromaticContact CZ-CE2 3.93Å; F73-Y289 HydrophobicContact CZ-CE2 3.93Å; K100-Y289 VanDerWaalsContact CE-OH 3.28Å; K100-Y289 WeakPolarHBondContact CE-OH 3.39Å; L103-Y289 HydrophobicContact CB-CD1 4.05Å; L103-Y289 HydrophobicContact CB-CG 4.11Å; L103-Y289 HydrophobicContact CD1-CD1 4.04Å; L103-Y289 HydrophobicContact CD1-CD2 3.87Å; L103-Y289 HydrophobicContact CD1-CE1 4.35Å; L103-Y289 HydrophobicContact CD1-CE2 4.22Å; L103-Y289 HydrophobicContact CD1-CG 3.76Å; H107-Y289 PolarHBondContact CE1-O 3Å; H107-Y289 PolarHBondContact ND1-N 3.05Å; H107-Y289 PolarHBondContact ND1-O 3.19Å; Y289-E291 HydrophobicContact CD1-CG 4.37Å; Y289-E291 HydrophobicContact CE1-CG 3.42Å; Y289-E291 VanDerWaalsContact CE1-CG 3.42Å; Y289-E291 WeakPolarHBondContact CE1-OE1 3.48Å; Y289-E291 HydrophobicContact CE2-CG 4.5Å; Y289-E291 VanDerWaalsContact CZ-OE1 3.32Å; Y289-E291 VanDerWaalsContact OH-CD 3.3Å; Y289-E291 WeakPolarHBondContact OH-CG 3.36Å; Y289-E291 PolarHBondContact OH-OE1 2.64Å |
| 290 | T | 85.9 | Confident | 90.3 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 27% | 0.27 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 138.7 | -175.7 | 51.3 | 0 | 0 | 0 | 0 | 110.3 | Q12 S13 V288 | Q12-T290 CarbonylContact C-O 3.46Å; Q12-T290 WeakPolarHBondContact CA-O 3.47Å; S13-T290 PolarHBondContact N-O 2.93Å; S13-T290 PolarHBondContact O-N 3.14Å; S13-T290 PolarHBondContact O-OG1 2.9Å; S13-T290 VanDerWaalsContact O-OG1 3.04Å; S13-T290 PolarHBondContact OG-OG1 3.08Å; V288-T290 HydrophobicContact CG1-CG2 4.36Å |
| 291 | E | 86 | Confident | 90.5 | Very high | 72 Ų | 72 | 36 Ų | 36 | 34% | 0.336 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 98.8 | 174.1 | -63.3 | -169.4 | 153.7 | 0 | 0 | 109.5 | F11 Q12 K100 Y289 H293 | F11-E291 CarbonylContact O-C 3.52Å; F11-E291 WeakPolarHBondContact O-CA 3.14Å; Q12-E291 HydrophobicContact CG-CG 4.14Å; Q12-E291 PolarHBondContact NE2-OE1 3.15Å; K100-E291 WeakPolarHBondContact CE-OE1 3.48Å; K100-E291 IonicContact NZ-OE1 3.89Å; K100-E291 PolarHBondContact NZ-OE1 3.22Å; Y289-E291 HydrophobicContact CD1-CG 4.37Å; Y289-E291 HydrophobicContact CE1-CG 3.42Å; Y289-E291 VanDerWaalsContact CE1-CG 3.42Å; Y289-E291 WeakPolarHBondContact CE1-OE1 3.48Å; Y289-E291 HydrophobicContact CE2-CG 4.5Å; Y289-E291 VanDerWaalsContact CZ-OE1 3.32Å; Y289-E291 VanDerWaalsContact OH-CD 3.3Å; Y289-E291 WeakPolarHBondContact OH-CG 3.36Å; Y289-E291 PolarHBondContact OH-OE1 2.64Å; E291-H293 PolarHBondContact O-ND1 3.45Å; E291-H293 VanDerWaalsContact O-ND1 3.17Å; E291-H293 IonicContact OE2-CE1 3.48Å |
| 292 | D | 86.3 | Confident | 90.6 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.6 | 176.3 | -51.4 | -36 | 0 | 0 | 0 | 108.6 | V10 F11 V294 R728 E731 R732 | V10-D292 WeakPolarHBondContact CA-O 3.41Å; F11-D292 HydrophobicContact CB-CB 4.23Å; F11-D292 PolarHBondContact N-O 2.59Å; F11-D292 PolarHBondContact O-N 2.97Å; D292-V294 HydrophobicContact CB-CG2 4.17Å; D292-R728 IonicContact OD2-CZ 3.76Å; D292-R728 IonicContact OD2-NE 3.84Å; D292-R728 PolarHBondContact OD2-NE 3.43Å; D292-R728 VanDerWaalsContact OD2-NE 3.1Å; D292-R728 IonicContact OD2-NH2 3.63Å; D292-E731 HydrophobicContact CB-CG 4.45Å; D292-R732 IonicContact OD2-CZ 2.92Å; D292-R732 IonicContact OD2-NE 3.64Å; D292-R732 PolarHBondContact OD2-NE 3.4Å; D292-R732 IonicContact OD2-NH2 3.73Å |
| 293 | H | 87.2 | Confident | 90.6 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 88.1 | -179.6 | -74.9 | 79.1 | 0 | 0 | 0 | 109 | L8 E291 Y300 H794 | L8-H293 HydrophobicContact CD2-CB 3.98Å; E291-H293 PolarHBondContact O-ND1 3.45Å; E291-H293 VanDerWaalsContact O-ND1 3.17Å; E291-H293 IonicContact OE2-CE1 3.48Å; H293-Y300 PolarHBondContact O-OH 3.42Å; H293-H794 PolarHBondContact O-CE1 2.92Å |
| 294 | V | 89.1 | Confident | 90.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 113.1 | -167.2 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | L8 R9 F11 D292 Y300 D727 R728 E731 | L8-V294 VanDerWaalsContact CD1-O 3.31Å; L8-V294 WeakPolarHBondContact CD1-O 3.39Å; R9-V294 HydrophobicContact CB-CB 4.16Å; R9-V294 PolarHBondContact N-O 2.92Å; R9-V294 WeakPolarHBondContact O-CB 3.26Å; R9-V294 PolarHBondContact O-N 3.49Å; F11-V294 HydrophobicContact CD2-CB 4.46Å; F11-V294 HydrophobicContact CD2-CG2 3.7Å; F11-V294 HydrophobicContact CE2-CB 4.32Å; F11-V294 HydrophobicContact CE2-CG2 3.89Å; D292-V294 HydrophobicContact CB-CG2 4.17Å; V294-Y300 WeakPolarHBondContact CA-OH 3.31Å; V294-Y300 HydrophobicContact CG1-CE2 4.01Å; V294-D727 HydrophobicContact CG1-CB 3.77Å; V294-R728 HydrophobicContact CG1-CB 4.47Å; V294-R728 HydrophobicContact CG2-CB 3.91Å; V294-R728 HydrophobicContact CG2-CG 3.92Å; V294-E731 HydrophobicContact CG2-CB 4.22Å; V294-E731 HydrophobicContact CG2-CG 4.19Å |
| 295 | F | 88.7 | Confident | 90.4 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 8% | 0.075 | 21% | 0.212 | C | C | . | . | trans | -73.4 | 169.6 | 174.4 | -73.6 | -68.3 | 0 | 0 | 0 | 113 | L8 H299 Y300 H794 Y797 | L8-F295 HydrophobicContact CD1-CB 4.35Å; L8-F295 HydrophobicContact CD1-CD1 3.31Å; L8-F295 HydrophobicContact CD1-CD2 4.34Å; L8-F295 HydrophobicContact CD1-CE1 3.52Å; L8-F295 HydrophobicContact CD1-CG 3.75Å; L8-F295 HydrophobicContact CD1-CZ 4.14Å; F295-H299 HydrophobicContact CB-CB 3.97Å; F295-Y300 HydrophobicContact CB-CE2 3.84Å; F295-Y300 PolarHBondContact N-OH 3.31Å; F295-Y300 VanDerWaalsContact O-CE2 3.31Å; F295-Y300 WeakPolarHBondContact O-CE2 3.45Å; F295-H794 AromaticContact CD2-NE2 3.83Å; F295-H794 HydrophobicContact CE2-CB 4.48Å; F295-H794 AromaticContact CE2-CD2 3.56Å; F295-H794 AromaticContact CE2-CE1 3.46Å; F295-H794 VanDerWaalsContact CE2-CE1 3.46Å; F295-H794 WeakPolarHBondContact CE2-CE1 3.12Å; F295-H794 AromaticContact CE2-CG 3.64Å; F295-H794 AromaticContact CE2-ND1 3.59Å; F295-H794 AromaticContact CE2-NE2 3.44Å; F295-H794 WeakPolarHBondContact CE2-NE2 3.39Å; F295-Y797 HydrophobicContact CE1-CG 4.33Å; F295-Y797 HydrophobicContact CZ-CG 4.35Å | ||
| 296 | P | 86.4 | Confident | 90.4 | Very high | 66 Ų | 66 | 40.3 Ų | 40.3 | 43% | 0.429 | 22% | 0.218 | S | C | . | . | trans | -58.8 | 147.7 | 166.7 | -24.1 | 34.3 | 0 | 0 | 0 | 112.3 | E298 H299 | P296-E298 PolarHBondContact O-N 3.31Å; P296-H299 WeakPolarHBondContact O-CB 3.43Å; P296-H299 PolarHBondContact O-CD2 3.49Å; P296-H299 PolarHBondContact O-N 3.09Å | ||
| 297 | S | 84.4 | Confident | 90.4 | Very high | 47 Ų | 47 | 38.4 Ų | 38.4 | 33% | 0.329 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -48.3 | -32.4 | -176.2 | -176.8 | 0 | 0 | 0 | 0 | 115.5 | H299 Y300 T301 R304 D727 | S297-H299 PolarHBondContact O-N 2.89Å; S297-Y300 PolarHBondContact O-N 3Å; S297-Y300 VanDerWaalsContact O-N 3.13Å; S297-T301 PolarHBondContact O-N 2.9Å; S297-T301 PolarHBondContact O-OG1 2.89Å; S297-R304 PolarHBondContact O-NH2 3.27Å; S297-R304 PolarHBondContact OG-NH1 3.42Å; S297-R304 PolarHBondContact OG-NH2 3.45Å; S297-D727 WeakPolarHBondContact CA-OD1 3.21Å; S297-D727 WeakPolarHBondContact CA-OD2 3.46Å; S297-D727 WeakPolarHBondContact CB-OD1 3.23Å; S297-D727 VanDerWaalsContact CB-OD2 3.31Å; S297-D727 WeakPolarHBondContact CB-OD2 3.26Å; S297-D727 PolarHBondContact N-OD2 2.92Å; S297-D727 PolarHBondContact OG-OD1 2.95Å |
| 298 | E | 87.8 | Confident | 90.3 | Very high | 162 Ų | 162 | 40.1 Ų | 40.1 | 76% | 0.757 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -57.1 | -39.1 | -179.3 | -62.7 | -176.9 | 173.3 | 0 | 0 | 112.3 | P296 Y300 T301 | P296-E298 PolarHBondContact O-N 3.31Å; E298-Y300 VanDerWaalsContact C-N 3.28Å; E298-Y300 PolarHBondContact O-N 3.34Å; E298-T301 PolarHBondContact O-N 3.45Å; E298-T301 PolarHBondContact O-OG1 2.91Å |
| 299 | H | 88.4 | Confident | 90.5 | Very high | 63 Ų | 63 | 43.8 Ų | 43.8 | 29% | 0.292 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.3 | -32.9 | -179.2 | -69.2 | -91.4 | 0 | 0 | 0 | 112.6 | F295 P296 S297 L790 Q793 | F295-H299 HydrophobicContact CB-CB 3.97Å; P296-H299 WeakPolarHBondContact O-CB 3.43Å; P296-H299 PolarHBondContact O-CD2 3.49Å; P296-H299 PolarHBondContact O-N 3.09Å; S297-H299 PolarHBondContact O-N 2.89Å; H299-L790 HydrophobicContact CB-CD2 4.18Å; H299-L790 WeakPolarHBondContact O-CD2 3.24Å; H299-Q793 PolarHBondContact ND1-NE2 3.25Å; H299-Q793 PolarHBondContact ND1-OE1 3.06Å |
| 300 | Y | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -86.4 | -13.9 | -175.1 | -65.2 | -62.3 | 0 | 0 | 0 | 114.2 | H293 V294 F295 S297 E298 P302 L303 R304 D727 T730 E731 L790 | H293-Y300 PolarHBondContact O-OH 3.42Å; V294-Y300 WeakPolarHBondContact CA-OH 3.31Å; V294-Y300 HydrophobicContact CG1-CE2 4.01Å; F295-Y300 HydrophobicContact CB-CE2 3.84Å; F295-Y300 PolarHBondContact N-OH 3.31Å; F295-Y300 VanDerWaalsContact O-CE2 3.31Å; F295-Y300 WeakPolarHBondContact O-CE2 3.45Å; S297-Y300 PolarHBondContact O-N 3Å; S297-Y300 VanDerWaalsContact O-N 3.13Å; E298-Y300 VanDerWaalsContact C-N 3.28Å; E298-Y300 PolarHBondContact O-N 3.34Å; Y300-P302 VanDerWaalsContact C-CD 3.47Å; Y300-L303 PolarHBondContact O-N 3.27Å; Y300-R304 VanDerWaalsContact O-CB 3.23Å; Y300-R304 WeakPolarHBondContact O-CB 3.31Å; Y300-R304 PolarHBondContact O-N 3.06Å; Y300-D727 HydrophobicContact CD2-CB 3.84Å; Y300-D727 HydrophobicContact CE2-CB 4Å; Y300-T730 HydrophobicContact CD1-CG2 3.87Å; Y300-T730 HydrophobicContact CG-CG2 4.15Å; Y300-E731 HydrophobicContact CE1-CB 4.03Å; Y300-E731 WeakPolarHBondContact CE1-OE2 2.94Å; Y300-E731 VanDerWaalsContact CZ-OE2 3.29Å; Y300-E731 PolarHBondContact OH-OE2 3Å; Y300-L790 HydrophobicContact CD1-CD1 4.21Å; Y300-L790 HydrophobicContact CD1-CD2 4.05Å; Y300-L790 HydrophobicContact CE1-CD2 4.1Å |
| 301 | T | 91.9 | Very high | 90.8 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 29% | 0.294 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -48.8 | -48.5 | -174.8 | -49 | 0 | 0 | 0 | 0 | 113.6 | S297 E298 L303 R304 D305 | S297-T301 PolarHBondContact O-N 2.9Å; S297-T301 PolarHBondContact O-OG1 2.89Å; E298-T301 PolarHBondContact O-N 3.45Å; E298-T301 PolarHBondContact O-OG1 2.91Å; T301-L303 PolarHBondContact O-N 3.27Å; T301-R304 PolarHBondContact O-N 3.13Å; T301-R304 PolarHBondContact OG1-NH2 3.07Å; T301-D305 WeakPolarHBondContact CG2-OD2 3.31Å; T301-D305 WeakPolarHBondContact O-CB 3.46Å; T301-D305 VanDerWaalsContact O-CG 3.24Å; T301-D305 PolarHBondContact O-N 2.98Å |
| 302 | P | 94 | Very high | 91 | Very high | 75 Ų | 75 | 45.3 Ų | 45.3 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.5 | -43.3 | -177.8 | -22.9 | 34.8 | 0 | 0 | 0 | 113.5 | Y300 L306 A786 | Y300-P302 VanDerWaalsContact C-CD 3.47Å; P302-L306 VanDerWaalsContact O-CG 3.31Å; P302-L306 WeakPolarHBondContact O-CG 3.35Å; P302-A786 HydrophobicContact CB-CB 4.29Å |
| 303 | L | 95.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.1 | -39.6 | 179.2 | -179.2 | 59.9 | 0 | 0 | 0 | 111.3 | Y300 T301 L306 L307 T730 F737 A786 V787 L790 | Y300-L303 PolarHBondContact O-N 3.27Å; T301-L303 PolarHBondContact O-N 3.27Å; L303-L306 PolarHBondContact O-N 2.82Å; L303-L307 HydrophobicContact CG-CD1 4.09Å; L303-L307 WeakPolarHBondContact O-CG 3.46Å; L303-L307 PolarHBondContact O-N 3.33Å; L303-L307 VanDerWaalsContact O-N 3.08Å; L303-T730 HydrophobicContact CB-CG2 4.44Å; L303-T730 HydrophobicContact CD2-CG2 4.13Å; L303-T730 HydrophobicContact CG-CG2 4.29Å; L303-F737 HydrophobicContact CD1-CD2 4.26Å; L303-F737 HydrophobicContact CD1-CE2 4.04Å; L303-A786 HydrophobicContact CB-CB 4.34Å; L303-V787 HydrophobicContact CD1-CG2 4.43Å; L303-L790 HydrophobicContact CB-CD1 4.22Å; L303-L790 HydrophobicContact CD2-CD1 3.99Å |
| 304 | R | 94.9 | Very high | 91.1 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 179.8 | 178.8 | 171.1 | 59.7 | -148 | -4.1 | 112.1 | S297 Y300 T301 L306 L307 L308 Y345 D727 T730 | S297-R304 PolarHBondContact O-NH2 3.27Å; S297-R304 PolarHBondContact OG-NH1 3.42Å; S297-R304 PolarHBondContact OG-NH2 3.45Å; Y300-R304 VanDerWaalsContact O-CB 3.23Å; Y300-R304 WeakPolarHBondContact O-CB 3.31Å; Y300-R304 PolarHBondContact O-N 3.06Å; T301-R304 PolarHBondContact O-N 3.13Å; T301-R304 PolarHBondContact OG1-NH2 3.07Å; R304-L306 PolarHBondContact O-N 3.45Å; R304-L307 WeakPolarHBondContact O-CB 3.35Å; R304-L307 PolarHBondContact O-N 3.34Å; R304-L308 HydrophobicContact CG-CD1 3.93Å; R304-L308 HydrophobicContact CG-CG 4.3Å; R304-L308 WeakPolarHBondContact O-CG 3.44Å; R304-L308 PolarHBondContact O-N 3.49Å; R304-Y345 WeakPolarHBondContact CD-OH 3.12Å; R304-Y345 HydrophobicContact CG-CE2 4.31Å; R304-Y345 PolarHBondContact NH1-OH 3.02Å; R304-D727 IonicContact NH1-OD1 3.42Å; R304-D727 PolarHBondContact NH1-OD1 3.49Å; R304-T730 HydrophobicContact CB-CG2 4.36Å |
| 305 | D | 94.3 | Very high | 91.1 | Very high | 73 Ų | 73 | 54.9 Ų | 54.9 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | -179.2 | -69.6 | -11.1 | 0 | 0 | 0 | 111.4 | T301 L307 L308 Q309 | T301-D305 WeakPolarHBondContact CG2-OD2 3.31Å; T301-D305 WeakPolarHBondContact O-CB 3.46Å; T301-D305 VanDerWaalsContact O-CG 3.24Å; T301-D305 PolarHBondContact O-N 2.98Å; D305-L307 VanDerWaalsContact C-N 3.32Å; D305-L307 PolarHBondContact O-N 3.06Å; D305-L308 PolarHBondContact O-N 3.45Å; D305-Q309 WeakPolarHBondContact O-CB 3.3Å; D305-Q309 VanDerWaalsContact O-CG 3.24Å; D305-Q309 WeakPolarHBondContact O-CG 3.39Å; D305-Q309 PolarHBondContact O-N 3.24Å |
| 306 | L | 94.9 | Very high | 91.2 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -43.2 | 172.9 | -68.6 | 172.4 | 0 | 0 | 0 | 111.7 | P302 L303 R304 S310 T320 Q782 A786 | P302-L306 VanDerWaalsContact O-CG 3.31Å; P302-L306 WeakPolarHBondContact O-CG 3.35Å; L303-L306 PolarHBondContact O-N 2.82Å; R304-L306 PolarHBondContact O-N 3.45Å; L306-S310 PolarHBondContact O-OG 3.32Å; L306-T320 HydrophobicContact CB-CG2 4.44Å; L306-Q782 HydrophobicContact CD1-CB 3.89Å; L306-Q782 HydrophobicContact CD2-CB 4.01Å; L306-A786 HydrophobicContact CD1-CB 4.34Å |
| 307 | L | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.9 | -50.4 | 175.9 | -72.3 | 161.8 | 0 | 0 | 0 | 111.2 | L303 R304 D305 Q309 S310 T320 L338 L341 F342 I733 | L303-L307 HydrophobicContact CG-CD1 4.09Å; L303-L307 WeakPolarHBondContact O-CG 3.46Å; L303-L307 PolarHBondContact O-N 3.33Å; L303-L307 VanDerWaalsContact O-N 3.08Å; R304-L307 WeakPolarHBondContact O-CB 3.35Å; R304-L307 PolarHBondContact O-N 3.34Å; D305-L307 VanDerWaalsContact C-N 3.32Å; D305-L307 PolarHBondContact O-N 3.06Å; L307-Q309 PolarHBondContact O-N 3.19Å; L307-S310 WeakPolarHBondContact O-CB 3.45Å; L307-S310 PolarHBondContact O-N 3.02Å; L307-S310 PolarHBondContact O-OG 3.06Å; L307-T320 HydrophobicContact CD2-CG2 3.7Å; L307-T320 HydrophobicContact CG-CG2 4.06Å; L307-L338 HydrophobicContact CD2-CD2 3.79Å; L307-L341 HydrophobicContact CB-CD2 4.15Å; L307-L341 HydrophobicContact CD1-CD2 3.8Å; L307-F342 WeakPolarHBondContact O-CE1 3.3Å; L307-F342 WeakPolarHBondContact O-CZ 3.33Å; L307-I733 HydrophobicContact CD1-CB 4.4Å; L307-I733 HydrophobicContact CD1-CD1 3.86Å; L307-I733 HydrophobicContact CD1-CG2 3.84Å; L307-I733 HydrophobicContact CD2-CD1 4.49Å; L307-I733 HydrophobicContact CD2-CG2 4.12Å |
| 308 | L | 91.9 | Very high | 91.6 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66 | -24.8 | -177.1 | -67 | 178.3 | 0 | 0 | 0 | 113.5 | R304 D305 S310 F342 Y345 | R304-L308 HydrophobicContact CG-CD1 3.93Å; R304-L308 HydrophobicContact CG-CG 4.3Å; R304-L308 WeakPolarHBondContact O-CG 3.44Å; R304-L308 PolarHBondContact O-N 3.49Å; D305-L308 PolarHBondContact O-N 3.45Å; L308-S310 VanDerWaalsContact C-N 3.26Å; L308-S310 PolarHBondContact O-N 2.96Å; L308-F342 HydrophobicContact CD2-CD1 4.17Å; L308-F342 HydrophobicContact CD2-CE1 4.28Å; L308-Y345 HydrophobicContact CD1-CD1 4.01Å; L308-Y345 HydrophobicContact CD1-CD2 3.94Å; L308-Y345 HydrophobicContact CD1-CE1 4.34Å; L308-Y345 HydrophobicContact CD1-CE2 4.26Å; L308-Y345 HydrophobicContact CD1-CG 3.82Å; L308-Y345 HydrophobicContact CD2-CD2 3.73Å; L308-Y345 HydrophobicContact CD2-CG 3.84Å; L308-Y345 HydrophobicContact CG-CD2 4.38Å; L308-Y345 HydrophobicContact CG-CG 4.49Å |
| 309 | Q | 93.6 | Very high | 91.9 | Very high | 116 Ų | 116 | 42.2 Ų | 42.2 | 54% | 0.542 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -79.2 | -4.2 | 173.6 | -71.1 | 175.6 | 12.7 | 0 | 0 | 113.7 | D305 L307 A311 N312 | D305-Q309 WeakPolarHBondContact O-CB 3.3Å; D305-Q309 VanDerWaalsContact O-CG 3.24Å; D305-Q309 WeakPolarHBondContact O-CG 3.39Å; D305-Q309 PolarHBondContact O-N 3.24Å; L307-Q309 PolarHBondContact O-N 3.19Å; Q309-A311 PolarHBondContact O-N 2.92Å; Q309-A311 VanDerWaalsContact O-N 3.11Å; Q309-N312 PolarHBondContact O-N 3.49Å |
| 310 | S | 93.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -58.4 | -31.5 | -173.2 | -65.6 | 0 | 0 | 0 | 0 | 114.3 | L306 L307 L308 N312 S319 A321 | L306-S310 PolarHBondContact O-OG 3.32Å; L307-S310 WeakPolarHBondContact O-CB 3.45Å; L307-S310 PolarHBondContact O-N 3.02Å; L307-S310 PolarHBondContact O-OG 3.06Å; L308-S310 VanDerWaalsContact C-N 3.26Å; L308-S310 PolarHBondContact O-N 2.96Å; S310-N312 PolarHBondContact O-N 3.3Å; S310-S319 WeakPolarHBondContact O-CB 3.38Å; S310-A321 WeakPolarHBondContact OG-CB 3.45Å; S310-A321 PolarHBondContact OG-N 3.41Å; S310-A321 VanDerWaalsContact OG-N 3.12Å |
| 311 | A | 90.2 | Very high | 92.3 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 19% | 0.19 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -69.7 | -20.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q309 P350 F351 | Q309-A311 PolarHBondContact O-N 2.92Å; Q309-A311 VanDerWaalsContact O-N 3.11Å; A311-P350 HydrophobicContact CB-CB 4.16Å; A311-F351 HydrophobicContact CB-CB 4.39Å |
| 312 | N | 91.1 | Very high | 92.3 | Very high | 132 Ų | 132 | 38 Ų | 38 | 71% | 0.706 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -97.8 | -2.3 | -176.2 | -58.7 | -11.4 | 0 | 0 | 0 | 112.6 | Q309 S310 | Q309-N312 PolarHBondContact O-N 3.49Å; S310-N312 PolarHBondContact O-N 3.3Å |
| 313 | A | 89.1 | Confident | 92.3 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 26% | 0.256 | 18% | 0.184 | S | C | . | . | trans | -74.9 | 134.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P315 V316 | A313-P315 CarbonylContact O-C 3.47Å; A313-P315 VanDerWaalsContact O-C 3.27Å; A313-V316 WeakPolarHBondContact O-CA 3.43Å; A313-V316 PolarHBondContact O-N 2.76Å; A313-V316 VanDerWaalsContact O-N 3.08Å | ||
| 314 | E | 86.3 | Confident | 92.2 | Very high | 177 Ų | 177 | 34.4 Ų | 34.4 | 83% | 0.827 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -122 | 112.6 | 175.5 | -68.5 | -174.1 | 175.7 | 0 | 0 | 108.8 | ||
| 315 | P | 88.8 | Confident | 92 | Very high | 38 Ų | 38 | 33.5 Ų | 33.5 | 25% | 0.247 | 18% | 0.18 | C | C | . | . | S | Bend | cis | -73.4 | 151.6 | -5.1 | 32 | -35.3 | 0 | 0 | 0 | 112.7 | A313 S317 A318 D771 D772 | A313-P315 CarbonylContact O-C 3.47Å; A313-P315 VanDerWaalsContact O-C 3.27Å; P315-S317 PolarHBondContact O-N 3.29Å; P315-A318 HydrophobicContact CG-CB 4.34Å; P315-A318 WeakPolarHBondContact O-CB 3.4Å; P315-A318 PolarHBondContact O-N 2.95Å; P315-D771 HydrophobicContact CG-CB 4.34Å; P315-D772 HydrophobicContact CG-CB 3.66Å |
| 316 | V | 90.4 | Very high | 91.8 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 9% | 0.085 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -59.6 | -21.4 | 178.9 | 73.9 | 0 | 0 | 0 | 0 | 112.9 | A313 A318 S319 H322 A354 I355 A358 | A313-V316 WeakPolarHBondContact O-CA 3.43Å; A313-V316 PolarHBondContact O-N 2.76Å; A313-V316 VanDerWaalsContact O-N 3.08Å; V316-A318 PolarHBondContact O-N 3.03Å; V316-S319 WeakPolarHBondContact O-CB 3.5Å; V316-S319 PolarHBondContact O-N 3.41Å; V316-S319 PolarHBondContact O-OG 2.78Å; V316-H322 WeakPolarHBondContact O-CB 3.31Å; V316-A354 HydrophobicContact CG2-CB 3.91Å; V316-I355 HydrophobicContact CG2-CG2 3.83Å; V316-A358 HydrophobicContact CG1-CB 3.34Å |
| 317 | S | 89.3 | Confident | 91.5 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -66.7 | -24.1 | 175.3 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | P315 S319 H322 R362 | P315-S317 PolarHBondContact O-N 3.29Å; S317-S319 VanDerWaalsContact C-N 3.26Å; S317-H322 VanDerWaalsContact CA-CD2 3.44Å; S317-H322 WeakPolarHBondContact CA-CD2 3.31Å; S317-H322 PolarHBondContact O-CD2 3.32Å; S317-R362 PolarHBondContact OG-NH2 3.21Å |
| 318 | A | 90.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -82.9 | -1.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P315 V316 I323 E775 T779 | P315-A318 HydrophobicContact CG-CB 4.34Å; P315-A318 WeakPolarHBondContact O-CB 3.4Å; P315-A318 PolarHBondContact O-N 2.95Å; V316-A318 PolarHBondContact O-N 3.03Å; A318-I323 WeakPolarHBondContact O-CD1 3.21Å; A318-E775 HydrophobicContact CB-CB 4.19Å; A318-T779 WeakPolarHBondContact O-CB 3.25Å; A318-T779 VanDerWaalsContact O-CG2 3.25Å; A318-T779 WeakPolarHBondContact O-CG2 3.29Å; A318-T779 PolarHBondContact O-OG1 2.95Å |
| 319 | S | 94.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -71.6 | 153.5 | 179.5 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | S310 V316 S317 A321 H322 I323 | S310-S319 WeakPolarHBondContact O-CB 3.38Å; V316-S319 WeakPolarHBondContact O-CB 3.5Å; V316-S319 PolarHBondContact O-N 3.41Å; V316-S319 PolarHBondContact O-OG 2.78Å; S317-S319 VanDerWaalsContact C-N 3.26Å; S319-A321 PolarHBondContact O-N 2.88Å; S319-H322 PolarHBondContact O-N 3.46Å; S319-H322 VanDerWaalsContact OG-CB 3.26Å; S319-H322 WeakPolarHBondContact OG-CB 3.37Å; S319-H322 PolarHBondContact OG-N 2.87Å; S319-I323 WeakPolarHBondContact O-CB 3.45Å; S319-I323 VanDerWaalsContact O-CG1 3.28Å; S319-I323 WeakPolarHBondContact O-CG1 3.35Å; S319-I323 PolarHBondContact O-N 3.31Å |
| 320 | T | 94.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.9 | -43.4 | 179.1 | -56.4 | 0 | 0 | 0 | 0 | 113 | L306 L307 L324 F737 T779 I783 | L306-T320 HydrophobicContact CB-CG2 4.44Å; L307-T320 HydrophobicContact CD2-CG2 3.7Å; L307-T320 HydrophobicContact CG-CG2 4.06Å; T320-L324 PolarHBondContact O-N 2.74Å; T320-F737 HydrophobicContact CG2-CE2 4.08Å; T320-F737 HydrophobicContact CG2-CZ 3.79Å; T320-T779 WeakPolarHBondContact OG1-CG2 3.28Å; T320-I783 HydrophobicContact CG2-CD1 3.78Å; T320-I783 HydrophobicContact CG2-CG1 3.74Å |
| 321 | A | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.7 | -37 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S310 S319 G325 L338 F342 F351 L375 | S310-A321 WeakPolarHBondContact OG-CB 3.45Å; S310-A321 PolarHBondContact OG-N 3.41Å; S310-A321 VanDerWaalsContact OG-N 3.12Å; S319-A321 PolarHBondContact O-N 2.88Å; A321-G325 PolarHBondContact O-N 3.32Å; A321-L338 HydrophobicContact CB-CD1 4.21Å; A321-L338 HydrophobicContact CB-CD2 3.9Å; A321-F342 HydrophobicContact CB-CE2 4.07Å; A321-F342 HydrophobicContact CB-CZ 4.18Å; A321-F351 HydrophobicContact CB-CD2 4.49Å; A321-F351 HydrophobicContact CB-CE2 3.51Å; A321-F351 HydrophobicContact CB-CZ 3.61Å; A321-L375 WeakPolarHBondContact O-CD2 3.35Å |
| 322 | H | 92.4 | Very high | 90.3 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 9% | 0.093 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.7 | -44 | 176.8 | -165.4 | 92 | 0 | 0 | 0 | 111.7 | V316 S317 S319 L324 G325 E326 | V316-H322 WeakPolarHBondContact O-CB 3.31Å; S317-H322 VanDerWaalsContact CA-CD2 3.44Å; S317-H322 WeakPolarHBondContact CA-CD2 3.31Å; S317-H322 PolarHBondContact O-CD2 3.32Å; S319-H322 PolarHBondContact O-N 3.46Å; S319-H322 VanDerWaalsContact OG-CB 3.26Å; S319-H322 WeakPolarHBondContact OG-CB 3.37Å; S319-H322 PolarHBondContact OG-N 2.87Å; H322-L324 VanDerWaalsContact C-N 3.28Å; H322-L324 PolarHBondContact O-N 3.47Å; H322-G325 WeakPolarHBondContact O-CA 3.4Å; H322-G325 PolarHBondContact O-N 2.76Å; H322-E326 PolarHBondContact O-N 2.77Å |
| 323 | I | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.6 | -43.8 | 175 | -69.9 | 166.7 | 0 | 0 | 0 | 110.6 | A318 S319 G325 E326 V327 L744 M747 T776 T779 L780 I783 | A318-I323 WeakPolarHBondContact O-CD1 3.21Å; S319-I323 WeakPolarHBondContact O-CB 3.45Å; S319-I323 VanDerWaalsContact O-CG1 3.28Å; S319-I323 WeakPolarHBondContact O-CG1 3.35Å; S319-I323 PolarHBondContact O-N 3.31Å; I323-G325 VanDerWaalsContact C-N 3.33Å; I323-G325 PolarHBondContact O-N 2.97Å; I323-E326 PolarHBondContact O-N 3.36Å; I323-E326 VanDerWaalsContact O-N 3.12Å; I323-V327 HydrophobicContact CG2-CG1 4.46Å; I323-V327 WeakPolarHBondContact O-CG2 3.39Å; I323-V327 PolarHBondContact O-N 2.81Å; I323-L744 HydrophobicContact CG2-CD2 3.73Å; I323-M747 HydrophobicContact CG1-CE 4.34Å; I323-M747 HydrophobicContact CG2-SD 4.34Å; I323-T776 HydrophobicContact CD1-CG2 4.3Å; I323-T779 HydrophobicContact CD1-CG2 3.9Å; I323-L780 HydrophobicContact CD1-CD2 4.27Å; I323-L780 HydrophobicContact CD1-CG 4.23Å; I323-L780 HydrophobicContact CG2-CD2 3.76Å; I323-I783 HydrophobicContact CB-CD1 4.39Å; I323-I783 HydrophobicContact CD1-CD1 4.02Å; I323-I783 HydrophobicContact CG2-CD1 4.18Å |
| 324 | L | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.6 | -47.3 | 175.1 | -176.8 | 64.9 | 0 | 0 | 0 | 111.5 | T320 H322 E326 V327 C328 A334 L338 I733 L736 F737 | T320-L324 PolarHBondContact O-N 2.74Å; H322-L324 VanDerWaalsContact C-N 3.28Å; H322-L324 PolarHBondContact O-N 3.47Å; L324-E326 VanDerWaalsContact C-N 3.27Å; L324-E326 PolarHBondContact O-N 3.46Å; L324-V327 HydrophobicContact CD1-CG2 4.42Å; L324-V327 VanDerWaalsContact O-CG2 3.32Å; L324-V327 WeakPolarHBondContact O-CG2 3.34Å; L324-V327 PolarHBondContact O-N 2.87Å; L324-C328 WeakPolarHBondContact O-CB 3.34Å; L324-C328 PolarHBondContact O-N 3.41Å; L324-C328 PolarHBondContact O-SG 2.99Å; L324-A334 HydrophobicContact CD2-CB 4.16Å; L324-A334 HydrophobicContact CG-CB 3.99Å; L324-L338 HydrophobicContact CD2-CD1 4.06Å; L324-L338 HydrophobicContact CD2-CD2 4.07Å; L324-L338 HydrophobicContact CD2-CG 4.05Å; L324-I733 HydrophobicContact CD2-CB 4.44Å; L324-I733 HydrophobicContact CD2-CG1 4.21Å; L324-I733 HydrophobicContact CD2-CG2 3.72Å; L324-L736 HydrophobicContact CD1-CB 3.91Å; L324-L736 HydrophobicContact CD2-CD1 4.48Å; L324-F737 HydrophobicContact CB-CE1 3.79Å; L324-F737 HydrophobicContact CB-CZ 3.7Å; L324-F737 HydrophobicContact CD1-CD1 3.64Å; L324-F737 HydrophobicContact CD1-CD2 4.29Å; L324-F737 HydrophobicContact CD1-CE1 3.56Å; L324-F737 HydrophobicContact CD1-CE2 4.18Å; L324-F737 HydrophobicContact CD1-CG 4.05Å; L324-F737 HydrophobicContact CD1-CZ 3.84Å; L324-F737 HydrophobicContact CG-CE1 4.24Å; L324-F737 HydrophobicContact CG-CZ 4.21Å |
| 325 | G | 91.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.7 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A321 H322 I323 K331 | A321-G325 PolarHBondContact O-N 3.32Å; H322-G325 WeakPolarHBondContact O-CA 3.4Å; H322-G325 PolarHBondContact O-N 2.76Å; I323-G325 VanDerWaalsContact C-N 3.33Å; I323-G325 PolarHBondContact O-N 2.97Å; G325-K331 WeakPolarHBondContact O-CD 3.22Å; G325-K331 WeakPolarHBondContact O-CE 3.23Å; G325-K331 PolarHBondContact O-NZ 3.15Å |
| 326 | E | 88.7 | Confident | 90.7 | Very high | 55 Ų | 55 | 32.5 Ų | 32.5 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -75 | -35 | 178.5 | -70.7 | -49.8 | 108.5 | 0 | 0 | 114.1 | H322 I323 L324 K331 K743 | H322-E326 PolarHBondContact O-N 2.77Å; I323-E326 PolarHBondContact O-N 3.36Å; I323-E326 VanDerWaalsContact O-N 3.12Å; L324-E326 VanDerWaalsContact C-N 3.27Å; L324-E326 PolarHBondContact O-N 3.46Å; E326-K331 VanDerWaalsContact CD-NZ 3.34Å; E326-K331 IonicContact OE1-NZ 2.68Å; E326-K331 PolarHBondContact OE1-NZ 3.01Å; E326-K331 IonicContact OE2-NZ 2.96Å; E326-K331 PolarHBondContact OE2-NZ 3.42Å; E326-K743 PolarHBondContact O-NZ 3.18Å |
| 327 | V | 89.8 | Confident | 90.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -76.3 | -37.6 | 177.3 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | I323 L324 K743 L744 M747 | I323-V327 HydrophobicContact CG2-CG1 4.46Å; I323-V327 WeakPolarHBondContact O-CG2 3.39Å; I323-V327 PolarHBondContact O-N 2.81Å; L324-V327 HydrophobicContact CD1-CG2 4.42Å; L324-V327 VanDerWaalsContact O-CG2 3.32Å; L324-V327 WeakPolarHBondContact O-CG2 3.34Å; L324-V327 PolarHBondContact O-N 2.87Å; V327-K743 HydrophobicContact CB-CD 4.27Å; V327-K743 HydrophobicContact CG1-CG 4.41Å; V327-K743 WeakPolarHBondContact O-CD 2.96Å; V327-K743 PolarHBondContact O-NZ 2.9Å; V327-L744 HydrophobicContact CG1-CD2 3.96Å; V327-L744 HydrophobicContact CG1-CG 4.14Å; V327-M747 HydrophobicContact CG1-SD 4.36Å |
| 328 | C | 89.9 | Confident | 91 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.02 | 14% | 0.141 | C | C | . | . | trans | -62 | 137.8 | 178.9 | -72.4 | 0 | 0 | 0 | 0 | 112.4 | L324 A334 Y740 | L324-C328 WeakPolarHBondContact O-CB 3.34Å; L324-C328 PolarHBondContact O-N 3.41Å; L324-C328 PolarHBondContact O-SG 2.99Å; C328-A334 HydrophobicContact CB-CB 4.25Å; C328-Y740 HydrophobicContact CB-CE2 4.24Å | ||
| 329 | R | 84.3 | Confident | 90.9 | Very high | 216 Ų | 216 | 31.7 Ų | 31.7 | 82% | 0.815 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -68.7 | -48.7 | 177.6 | -175.2 | -178.3 | -178.6 | 178.5 | 0.8 | 111.3 | Y740 | R329-Y740 HydrophobicContact CB-CE1 4.36Å; R329-Y740 PolarHBondContact N-OH 2.75Å |
| 330 | E | 86.4 | Confident | 90.4 | Very high | 113 Ų | 113 | 34.9 Ų | 34.9 | 53% | 0.528 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -100.8 | 114.2 | 174.3 | -68.3 | -169.4 | -161.2 | 0 | 0 | 109.6 | Q332 E333 | E330-Q332 PolarHBondContact O-N 3.47Å; E330-E333 HydrophobicContact CB-CG 3.99Å; E330-E333 WeakPolarHBondContact O-CB 3.01Å; E330-E333 PolarHBondContact O-N 3.42Å |
| 331 | K | 89.7 | Confident | 89.9 | Confident | 31 Ų | 31 | 34.7 Ų | 34.7 | 14% | 0.135 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.9 | -24.9 | -178.7 | -54.4 | -61.8 | -179.6 | 170.7 | 0 | 112.9 | G325 E326 A335 K378 | G325-K331 WeakPolarHBondContact O-CD 3.22Å; G325-K331 WeakPolarHBondContact O-CE 3.23Å; G325-K331 PolarHBondContact O-NZ 3.15Å; E326-K331 VanDerWaalsContact CD-NZ 3.34Å; E326-K331 IonicContact OE1-NZ 2.68Å; E326-K331 PolarHBondContact OE1-NZ 3.01Å; E326-K331 IonicContact OE2-NZ 2.96Å; E326-K331 PolarHBondContact OE2-NZ 3.42Å; K331-A335 WeakPolarHBondContact O-CB 3.4Å; K331-A335 PolarHBondContact O-N 3.17Å; K331-A335 VanDerWaalsContact O-N 3.08Å; K331-K378 HydrophobicContact CB-CG 3.96Å |
| 332 | Q | 88.9 | Confident | 89.4 | Confident | 89 Ų | 89 | 34.8 Ų | 34.8 | 42% | 0.416 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -68.9 | -32.1 | 177 | -175.5 | 170.2 | -11.3 | 0 | 0 | 113.1 | E330 A334 A335 I336 K378 | E330-Q332 PolarHBondContact O-N 3.47Å; Q332-A334 VanDerWaalsContact C-N 3.3Å; Q332-A334 PolarHBondContact O-N 3.38Å; Q332-A335 PolarHBondContact O-N 3.47Å; Q332-I336 HydrophobicContact CG-CD1 3.97Å; Q332-I336 HydrophobicContact CG-CG1 4.32Å; Q332-I336 WeakPolarHBondContact O-CG1 3.44Å; Q332-I336 PolarHBondContact O-N 2.83Å; Q332-K378 HydrophobicContact CB-CD 4.36Å |
| 333 | E | 88.1 | Confident | 88.6 | Confident | 79 Ų | 79 | 35.4 Ų | 35.4 | 37% | 0.369 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 177.4 | -68.9 | 178.4 | 168 | 0 | 0 | 111.4 | E330 P337 L736 Y740 | E330-E333 HydrophobicContact CB-CG 3.99Å; E330-E333 WeakPolarHBondContact O-CB 3.01Å; E330-E333 PolarHBondContact O-N 3.42Å; E333-P337 WeakPolarHBondContact O-CD 3.4Å; E333-P337 WeakPolarHBondContact O-CG 3.44Å; E333-L736 HydrophobicContact CB-CD2 4.35Å; E333-Y740 PolarHBondContact OE2-OH 2.7Å |
| 334 | A | 92.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -75.4 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L324 C328 Q332 I336 P337 L338 L375 | L324-A334 HydrophobicContact CD2-CB 4.16Å; L324-A334 HydrophobicContact CG-CB 3.99Å; C328-A334 HydrophobicContact CB-CB 4.25Å; Q332-A334 VanDerWaalsContact C-N 3.3Å; Q332-A334 PolarHBondContact O-N 3.38Å; A334-I336 PolarHBondContact O-N 2.78Å; A334-P337 VanDerWaalsContact O-CD 3.3Å; A334-P337 WeakPolarHBondContact O-CD 3.22Å; A334-L338 HydrophobicContact CB-CD1 4.29Å; A334-L338 WeakPolarHBondContact O-CB 3.48Å; A334-L338 WeakPolarHBondContact O-CD1 3.38Å; A334-L338 WeakPolarHBondContact O-CG 3.2Å; A334-L338 PolarHBondContact O-N 2.81Å; A334-L375 HydrophobicContact CB-CD1 4.26Å |
| 335 | A | 93.6 | Very high | 87 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -40.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | K331 Q332 L338 V339 L375 K378 | K331-A335 WeakPolarHBondContact O-CB 3.4Å; K331-A335 PolarHBondContact O-N 3.17Å; K331-A335 VanDerWaalsContact O-N 3.08Å; Q332-A335 PolarHBondContact O-N 3.47Å; A335-L338 PolarHBondContact O-N 3.38Å; A335-V339 VanDerWaalsContact O-CB 3.29Å; A335-V339 WeakPolarHBondContact O-CB 3.4Å; A335-V339 WeakPolarHBondContact O-CG2 3.18Å; A335-V339 PolarHBondContact O-N 3.16Å; A335-L375 HydrophobicContact CB-CD1 4.46Å; A335-K378 HydrophobicContact CB-CB 3.65Å |
| 336 | I | 89.1 | Confident | 86.1 | Confident | 46 Ų | 46 | 45.8 Ų | 45.8 | 24% | 0.236 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.4 | -59.8 | -177 | -66.6 | 166.5 | 0 | 0 | 0 | 112.5 | Q332 A334 L338 R340 E382 | Q332-I336 HydrophobicContact CG-CD1 3.97Å; Q332-I336 HydrophobicContact CG-CG1 4.32Å; Q332-I336 WeakPolarHBondContact O-CG1 3.44Å; Q332-I336 PolarHBondContact O-N 2.83Å; A334-I336 PolarHBondContact O-N 2.78Å; I336-L338 PolarHBondContact O-N 2.9Å; I336-R340 VanDerWaalsContact O-CG 3.27Å; I336-R340 WeakPolarHBondContact O-CG 3.49Å; I336-R340 PolarHBondContact O-N 3.4Å; I336-E382 HydrophobicContact CG1-CG 4.34Å |
| 337 | P | 91.5 | Very high | 85.9 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.2 | -32.8 | -178.9 | 28.8 | -36.4 | 0 | 0 | 0 | 112.3 | E333 A334 L341 E729 R732 I733 L736 | E333-P337 WeakPolarHBondContact O-CD 3.4Å; E333-P337 WeakPolarHBondContact O-CG 3.44Å; A334-P337 VanDerWaalsContact O-CD 3.3Å; A334-P337 WeakPolarHBondContact O-CD 3.22Å; P337-L341 VanDerWaalsContact O-CB 3.28Å; P337-L341 WeakPolarHBondContact O-CB 3.47Å; P337-L341 PolarHBondContact O-N 3.15Å; P337-E729 WeakPolarHBondContact CA-OE2 3.3Å; P337-E729 HydrophobicContact CB-CB 4.46Å; P337-E729 WeakPolarHBondContact CB-OE2 3.3Å; P337-R732 HydrophobicContact CB-CB 4.19Å; P337-I733 HydrophobicContact CB-CD1 4.34Å; P337-I733 HydrophobicContact CB-CG1 3.91Å; P337-I733 HydrophobicContact CG-CG1 4.03Å; P337-L736 HydrophobicContact CG-CD1 4.15Å |
| 338 | L | 93.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -53.4 | 175.4 | -72.6 | 173.3 | 0 | 0 | 0 | 111.5 | L307 A321 L324 A334 A335 I336 R340 L341 F342 L375 I733 | L307-L338 HydrophobicContact CD2-CD2 3.79Å; A321-L338 HydrophobicContact CB-CD1 4.21Å; A321-L338 HydrophobicContact CB-CD2 3.9Å; L324-L338 HydrophobicContact CD2-CD1 4.06Å; L324-L338 HydrophobicContact CD2-CD2 4.07Å; L324-L338 HydrophobicContact CD2-CG 4.05Å; A334-L338 HydrophobicContact CB-CD1 4.29Å; A334-L338 WeakPolarHBondContact O-CB 3.48Å; A334-L338 WeakPolarHBondContact O-CD1 3.38Å; A334-L338 WeakPolarHBondContact O-CG 3.2Å; A334-L338 PolarHBondContact O-N 2.81Å; A335-L338 PolarHBondContact O-N 3.38Å; I336-L338 PolarHBondContact O-N 2.9Å; L338-R340 VanDerWaalsContact C-N 3.28Å; L338-R340 PolarHBondContact O-N 2.71Å; L338-L341 PolarHBondContact O-N 2.96Å; L338-F342 HydrophobicContact CB-CD2 4.36Å; L338-F342 HydrophobicContact CB-CE2 4.41Å; L338-F342 HydrophobicContact CD2-CE2 4.08Å; L338-F342 WeakPolarHBondContact O-CD2 3.42Å; L338-F342 PolarHBondContact O-N 3.48Å; L338-L375 HydrophobicContact CD1-CD1 4.2Å; L338-I733 HydrophobicContact CD2-CD1 3.84Å; L338-I733 HydrophobicContact CD2-CG1 4.43Å; L338-I733 HydrophobicContact CG-CD1 4.43Å |
| 339 | V | 88.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | -179.2 | 166.4 | 0 | 0 | 0 | 0 | 110.8 | A335 F342 L343 I348 C379 E382 T383 L386 | A335-V339 VanDerWaalsContact O-CB 3.29Å; A335-V339 WeakPolarHBondContact O-CB 3.4Å; A335-V339 WeakPolarHBondContact O-CG2 3.18Å; A335-V339 PolarHBondContact O-N 3.16Å; V339-F342 PolarHBondContact O-N 3.38Å; V339-L343 HydrophobicContact CG1-CD1 3.64Å; V339-L343 HydrophobicContact CG1-CG 4.32Å; V339-L343 VanDerWaalsContact O-CB 3.26Å; V339-L343 WeakPolarHBondContact O-CB 3.14Å; V339-L343 WeakPolarHBondContact O-CD1 3.5Å; V339-L343 VanDerWaalsContact O-CG 3.24Å; V339-L343 WeakPolarHBondContact O-CG 3.42Å; V339-L343 PolarHBondContact O-N 3.3Å; V339-I348 HydrophobicContact CB-CD1 4.36Å; V339-I348 HydrophobicContact CG1-CD1 4.21Å; V339-I348 HydrophobicContact CG2-CD1 4.22Å; V339-C379 HydrophobicContact CG2-CB 3.79Å; V339-C379 WeakPolarHBondContact CG2-O 3.39Å; V339-E382 HydrophobicContact CB-CB 4.49Å; V339-E382 HydrophobicContact CB-CG 4.24Å; V339-E382 HydrophobicContact CG1-CB 4.43Å; V339-E382 HydrophobicContact CG1-CG 4.15Å; V339-E382 HydrophobicContact CG2-CB 4.29Å; V339-T383 VanDerWaalsContact CG1-OG1 3.31Å; V339-T383 WeakPolarHBondContact CG1-OG1 3.38Å; V339-L386 HydrophobicContact CG1-CD1 3.97Å |
| 340 | R | 83.6 | Confident | 85.5 | Confident | 70 Ų | 70 | 43 Ų | 43 | 26% | 0.264 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 177.2 | -71.9 | 176.5 | -177.6 | -169.8 | 1.8 | 111.8 | I336 L338 L343 H344 L386 V724 E729 | I336-R340 VanDerWaalsContact O-CG 3.27Å; I336-R340 WeakPolarHBondContact O-CG 3.49Å; I336-R340 PolarHBondContact O-N 3.4Å; L338-R340 VanDerWaalsContact C-N 3.28Å; L338-R340 PolarHBondContact O-N 2.71Å; R340-L343 PolarHBondContact O-N 2.9Å; R340-H344 WeakPolarHBondContact O-CB 3.48Å; R340-H344 PolarHBondContact O-N 3.27Å; R340-L386 HydrophobicContact CG-CD1 4.06Å; R340-V724 HydrophobicContact CB-CG1 3.74Å; R340-V724 HydrophobicContact CB-CG2 4.16Å; R340-V724 HydrophobicContact CG-CG2 4.39Å; R340-E729 HydrophobicContact CB-CG 3.89Å; R340-E729 IonicContact NH1-OE1 2.69Å |
| 341 | L | 85.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.6 | -49.3 | 177.4 | -176.2 | 70.2 | 0 | 0 | 0 | 111.8 | L307 P337 L338 L343 H344 Y345 G726 E729 I733 | L307-L341 HydrophobicContact CB-CD2 4.15Å; L307-L341 HydrophobicContact CD1-CD2 3.8Å; P337-L341 VanDerWaalsContact O-CB 3.28Å; P337-L341 WeakPolarHBondContact O-CB 3.47Å; P337-L341 PolarHBondContact O-N 3.15Å; L338-L341 PolarHBondContact O-N 2.96Å; L341-L343 VanDerWaalsContact C-N 3.34Å; L341-L343 PolarHBondContact O-N 3.28Å; L341-H344 WeakPolarHBondContact O-CB 3.44Å; L341-H344 PolarHBondContact O-N 2.93Å; L341-Y345 HydrophobicContact CD1-CD2 3.97Å; L341-Y345 HydrophobicContact CD1-CE2 3.67Å; L341-Y345 HydrophobicContact CG-CD2 4.3Å; L341-Y345 HydrophobicContact CG-CE2 4.45Å; L341-Y345 WeakPolarHBondContact O-CD2 3.28Å; L341-Y345 PolarHBondContact O-N 3.08Å; L341-Y345 VanDerWaalsContact O-N 3.15Å; L341-G726 WeakPolarHBondContact CD1-O 3.4Å; L341-E729 HydrophobicContact CB-CB 4.31Å; L341-I733 HydrophobicContact CD2-CD1 3.77Å |
| 342 | F | 83.6 | Confident | 85.9 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.4 | -31.6 | -180 | -76.4 | -72.6 | 0 | 0 | 0 | 112.9 | L307 L308 A321 L338 V339 G346 K347 I348 F351 | L307-F342 WeakPolarHBondContact O-CE1 3.3Å; L307-F342 WeakPolarHBondContact O-CZ 3.33Å; L308-F342 HydrophobicContact CD2-CD1 4.17Å; L308-F342 HydrophobicContact CD2-CE1 4.28Å; A321-F342 HydrophobicContact CB-CE2 4.07Å; A321-F342 HydrophobicContact CB-CZ 4.18Å; L338-F342 HydrophobicContact CB-CD2 4.36Å; L338-F342 HydrophobicContact CB-CE2 4.41Å; L338-F342 HydrophobicContact CD2-CE2 4.08Å; L338-F342 WeakPolarHBondContact O-CD2 3.42Å; L338-F342 PolarHBondContact O-N 3.48Å; V339-F342 PolarHBondContact O-N 3.38Å; F342-G346 PolarHBondContact O-N 3.45Å; F342-G346 VanDerWaalsContact O-N 3.14Å; F342-K347 HydrophobicContact CD1-CB 3.89Å; F342-K347 PolarHBondContact O-N 3.32Å; F342-I348 HydrophobicContact CB-CB 4.13Å; F342-I348 HydrophobicContact CB-CD1 3.89Å; F342-I348 PolarHBondContact O-N 2.93Å; F342-F351 HydrophobicContact CD1-CB 4.06Å; F342-F351 HydrophobicContact CD1-CG 4.31Å; F342-F351 AromaticContact CD2-CD1 3.6Å; F342-F351 HydrophobicContact CD2-CD1 3.6Å; F342-F351 AromaticContact CD2-CE1 3.92Å; F342-F351 HydrophobicContact CD2-CE1 3.92Å; F342-F351 HydrophobicContact CD2-CG 4.03Å; F342-F351 HydrophobicContact CE1-CB 4.08Å; F342-F351 HydrophobicContact CE1-CD2 4.37Å; F342-F351 HydrophobicContact CE1-CG 4.1Å; F342-F351 AromaticContact CE2-CD1 3.67Å; F342-F351 HydrophobicContact CE2-CD1 3.67Å; F342-F351 HydrophobicContact CE2-CD2 4.07Å; F342-F351 AromaticContact CE2-CE1 3.75Å; F342-F351 HydrophobicContact CE2-CE1 3.75Å; F342-F351 HydrophobicContact CE2-CE2 4.17Å; F342-F351 AromaticContact CE2-CG 3.83Å; F342-F351 HydrophobicContact CE2-CG 3.83Å; F342-F351 HydrophobicContact CE2-CZ 4.01Å; F342-F351 HydrophobicContact CG-CB 4.31Å; F342-F351 HydrophobicContact CG-CD1 4.11Å; F342-F351 HydrophobicContact CG-CG 4.29Å; F342-F351 HydrophobicContact CZ-CB 4.35Å; F342-F351 HydrophobicContact CZ-CD1 4.2Å; F342-F351 AromaticContact CZ-CD2 3.88Å; F342-F351 HydrophobicContact CZ-CD2 3.88Å; F342-F351 HydrophobicContact CZ-CE2 4.23Å; F342-F351 AromaticContact CZ-CG 3.86Å; F342-F351 HydrophobicContact CZ-CG 3.86Å |
| 343 | L | 74.6 | Confident | 86 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 17% | 0.173 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | 170.6 | -81.8 | 166.3 | 0 | 0 | 0 | 110.9 | V339 R340 L341 Y345 G346 I348 L386 | V339-L343 HydrophobicContact CG1-CD1 3.64Å; V339-L343 HydrophobicContact CG1-CG 4.32Å; V339-L343 VanDerWaalsContact O-CB 3.26Å; V339-L343 WeakPolarHBondContact O-CB 3.14Å; V339-L343 WeakPolarHBondContact O-CD1 3.5Å; V339-L343 VanDerWaalsContact O-CG 3.24Å; V339-L343 WeakPolarHBondContact O-CG 3.42Å; V339-L343 PolarHBondContact O-N 3.3Å; R340-L343 PolarHBondContact O-N 2.9Å; L341-L343 VanDerWaalsContact C-N 3.34Å; L341-L343 PolarHBondContact O-N 3.28Å; L343-Y345 VanDerWaalsContact C-N 3.29Å; L343-Y345 PolarHBondContact O-N 2.85Å; L343-G346 PolarHBondContact O-N 3.32Å; L343-G346 VanDerWaalsContact O-N 3.08Å; L343-I348 HydrophobicContact CD2-CB 4.14Å; L343-I348 HydrophobicContact CD2-CG1 4.29Å; L343-I348 HydrophobicContact CD2-CG2 3.67Å; L343-I348 HydrophobicContact CG-CB 4.16Å; L343-I348 HydrophobicContact CG-CG1 4.17Å; L343-I348 HydrophobicContact CG-CG2 4.26Å; L343-L386 HydrophobicContact CD1-CD1 3.8Å |
| 344 | H | 78 | Confident | 86.3 | Confident | 83 Ų | 83 | 30.6 Ų | 30.6 | 38% | 0.384 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57 | -41.9 | 178.7 | 178.8 | 78.5 | 0 | 0 | 0 | 112.3 | R340 L341 V724 | R340-H344 WeakPolarHBondContact O-CB 3.48Å; R340-H344 PolarHBondContact O-N 3.27Å; L341-H344 WeakPolarHBondContact O-CB 3.44Å; L341-H344 PolarHBondContact O-N 2.93Å; H344-V724 HydrophobicContact CB-CB 4.14Å; H344-V724 HydrophobicContact CB-CG1 4.14Å; H344-V724 PolarHBondContact CE1-O 3.29Å; H344-V724 VanDerWaalsContact CE1-O 3.29Å; H344-V724 PolarHBondContact ND1-O 3.2Å |
| 345 | Y | 77.1 | Confident | 86.2 | Confident | 80 Ų | 80 | 30.7 Ų | 30.7 | 31% | 0.314 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 3.7 | 178.6 | -73.2 | -75.1 | 0 | 0 | 0 | 114.6 | R304 L308 L341 L343 K347 | R304-Y345 WeakPolarHBondContact CD-OH 3.12Å; R304-Y345 HydrophobicContact CG-CE2 4.31Å; R304-Y345 PolarHBondContact NH1-OH 3.02Å; L308-Y345 HydrophobicContact CD1-CD1 4.01Å; L308-Y345 HydrophobicContact CD1-CD2 3.94Å; L308-Y345 HydrophobicContact CD1-CE1 4.34Å; L308-Y345 HydrophobicContact CD1-CE2 4.26Å; L308-Y345 HydrophobicContact CD1-CG 3.82Å; L308-Y345 HydrophobicContact CD2-CD2 3.73Å; L308-Y345 HydrophobicContact CD2-CG 3.84Å; L308-Y345 HydrophobicContact CG-CD2 4.38Å; L308-Y345 HydrophobicContact CG-CG 4.49Å; L341-Y345 HydrophobicContact CD1-CD2 3.97Å; L341-Y345 HydrophobicContact CD1-CE2 3.67Å; L341-Y345 HydrophobicContact CG-CD2 4.3Å; L341-Y345 HydrophobicContact CG-CE2 4.45Å; L341-Y345 WeakPolarHBondContact O-CD2 3.28Å; L341-Y345 PolarHBondContact O-N 3.08Å; L341-Y345 VanDerWaalsContact O-N 3.15Å; L343-Y345 VanDerWaalsContact C-N 3.29Å; L343-Y345 PolarHBondContact O-N 2.85Å; Y345-K347 VanDerWaalsContact C-N 3.26Å; Y345-K347 PolarHBondContact O-N 2.92Å |
| 346 | G | 71.9 | Confident | 86.2 | Confident | 55 Ų | 55 | 30.7 Ų | 30.7 | 57% | 0.567 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 25.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F342 L343 | F342-G346 PolarHBondContact O-N 3.45Å; F342-G346 VanDerWaalsContact O-N 3.14Å; L343-G346 PolarHBondContact O-N 3.32Å; L343-G346 VanDerWaalsContact O-N 3.08Å |
| 347 | K | 83.3 | Confident | 86.3 | Confident | 109 Ų | 109 | 32.2 Ų | 32.2 | 47% | 0.474 | 17% | 0.174 | S | C | . | . | trans | -111.6 | 8.1 | -176.7 | -66.6 | -65 | -175.4 | 177.5 | 0 | 113.8 | F342 Y345 P350 F351 | F342-K347 HydrophobicContact CD1-CB 3.89Å; F342-K347 PolarHBondContact O-N 3.32Å; Y345-K347 VanDerWaalsContact C-N 3.26Å; Y345-K347 PolarHBondContact O-N 2.92Å; K347-P350 WeakPolarHBondContact O-CD 3.46Å; K347-F351 WeakPolarHBondContact O-CB 3.42Å; K347-F351 PolarHBondContact O-N 2.92Å | ||
| 348 | I | 85.2 | Confident | 86.1 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | -177 | -170.7 | 61.1 | 0 | 0 | 0 | 113.7 | V339 F342 L343 F351 I352 T383 V451 | V339-I348 HydrophobicContact CB-CD1 4.36Å; V339-I348 HydrophobicContact CG1-CD1 4.21Å; V339-I348 HydrophobicContact CG2-CD1 4.22Å; F342-I348 HydrophobicContact CB-CB 4.13Å; F342-I348 HydrophobicContact CB-CD1 3.89Å; F342-I348 PolarHBondContact O-N 2.93Å; L343-I348 HydrophobicContact CD2-CB 4.14Å; L343-I348 HydrophobicContact CD2-CG1 4.29Å; L343-I348 HydrophobicContact CD2-CG2 3.67Å; L343-I348 HydrophobicContact CG-CB 4.16Å; L343-I348 HydrophobicContact CG-CG1 4.17Å; L343-I348 HydrophobicContact CG-CG2 4.26Å; I348-F351 PolarHBondContact O-N 2.73Å; I348-I352 HydrophobicContact CD1-CD1 3.67Å; I348-I352 HydrophobicContact CD1-CG1 3.96Å; I348-I352 HydrophobicContact CG1-CD1 3.8Å; I348-I352 HydrophobicContact CG1-CG1 4.33Å; I348-I352 WeakPolarHBondContact O-CB 3.09Å; I348-I352 PolarHBondContact O-N 3.25Å; I348-T383 HydrophobicContact CG1-CG2 4.36Å; I348-V451 HydrophobicContact CG2-CG2 3.86Å |
| 349 | V | 82.6 | Confident | 86 | Confident | 36 Ų | 36 | 34.6 Ų | 34.6 | 22% | 0.218 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.5 | -53.4 | -176.8 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | F351 I352 S353 V451 D454 I455 | V349-F351 VanDerWaalsContact C-N 3.26Å; V349-F351 PolarHBondContact O-N 3.24Å; V349-I352 PolarHBondContact O-N 2.78Å; V349-S353 VanDerWaalsContact O-CB 3.27Å; V349-S353 WeakPolarHBondContact O-CB 3.41Å; V349-S353 PolarHBondContact O-N 3.49Å; V349-S353 PolarHBondContact O-OG 2.94Å; V349-V451 HydrophobicContact CG2-CG2 4.03Å; V349-D454 HydrophobicContact CG1-CB 3.98Å; V349-D454 HydrophobicContact CG2-CB 4.15Å; V349-I455 HydrophobicContact CG2-CG1 4.28Å |
| 350 | P | 88.6 | Confident | 86 | Confident | 64 Ų | 64 | 34.6 Ų | 34.6 | 42% | 0.416 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -53.7 | -41.9 | 175.3 | -26.7 | 33.6 | 0 | 0 | 0 | 113.7 | A311 K347 A354 | A311-P350 HydrophobicContact CB-CB 4.16Å; K347-P350 WeakPolarHBondContact O-CD 3.46Å; P350-A354 WeakPolarHBondContact O-CB 3.37Å; P350-A354 PolarHBondContact O-N 2.69Å |
| 351 | F | 92.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -51.5 | 179.4 | 172 | -116.3 | 0 | 0 | 0 | 112.5 | A311 A321 F342 K347 I348 V349 S353 A354 I355 | A311-F351 HydrophobicContact CB-CB 4.39Å; A321-F351 HydrophobicContact CB-CD2 4.49Å; A321-F351 HydrophobicContact CB-CE2 3.51Å; A321-F351 HydrophobicContact CB-CZ 3.61Å; F342-F351 HydrophobicContact CD1-CB 4.06Å; F342-F351 HydrophobicContact CD1-CG 4.31Å; F342-F351 AromaticContact CD2-CD1 3.6Å; F342-F351 HydrophobicContact CD2-CD1 3.6Å; F342-F351 AromaticContact CD2-CE1 3.92Å; F342-F351 HydrophobicContact CD2-CE1 3.92Å; F342-F351 HydrophobicContact CD2-CG 4.03Å; F342-F351 HydrophobicContact CE1-CB 4.08Å; F342-F351 HydrophobicContact CE1-CD2 4.37Å; F342-F351 HydrophobicContact CE1-CG 4.1Å; F342-F351 AromaticContact CE2-CD1 3.67Å; F342-F351 HydrophobicContact CE2-CD1 3.67Å; F342-F351 HydrophobicContact CE2-CD2 4.07Å; F342-F351 AromaticContact CE2-CE1 3.75Å; F342-F351 HydrophobicContact CE2-CE1 3.75Å; F342-F351 HydrophobicContact CE2-CE2 4.17Å; F342-F351 AromaticContact CE2-CG 3.83Å; F342-F351 HydrophobicContact CE2-CG 3.83Å; F342-F351 HydrophobicContact CE2-CZ 4.01Å; F342-F351 HydrophobicContact CG-CB 4.31Å; F342-F351 HydrophobicContact CG-CD1 4.11Å; F342-F351 HydrophobicContact CG-CG 4.29Å; F342-F351 HydrophobicContact CZ-CB 4.35Å; F342-F351 HydrophobicContact CZ-CD1 4.2Å; F342-F351 AromaticContact CZ-CD2 3.88Å; F342-F351 HydrophobicContact CZ-CD2 3.88Å; F342-F351 HydrophobicContact CZ-CE2 4.23Å; F342-F351 AromaticContact CZ-CG 3.86Å; F342-F351 HydrophobicContact CZ-CG 3.86Å; K347-F351 WeakPolarHBondContact O-CB 3.42Å; K347-F351 PolarHBondContact O-N 2.92Å; I348-F351 PolarHBondContact O-N 2.73Å; V349-F351 VanDerWaalsContact C-N 3.26Å; V349-F351 PolarHBondContact O-N 3.24Å; F351-S353 VanDerWaalsContact C-N 3.32Å; F351-S353 PolarHBondContact O-N 3.41Å; F351-A354 PolarHBondContact O-N 2.62Å; F351-I355 HydrophobicContact CD2-CG2 4.22Å; F351-I355 HydrophobicContact CE1-CD1 3.95Å; F351-I355 HydrophobicContact CE2-CD1 4.44Å; F351-I355 HydrophobicContact CE2-CG2 3.67Å; F351-I355 HydrophobicContact CZ-CD1 3.91Å; F351-I355 HydrophobicContact CZ-CG2 4.09Å; F351-I355 WeakPolarHBondContact O-CG1 3.42Å; F351-I355 PolarHBondContact O-N 2.86Å; F351-I355 VanDerWaalsContact O-N 3.13Å |
| 352 | I | 92 | Very high | 86.2 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 178.8 | -73.3 | -178.8 | 0 | 0 | 0 | 110.7 | I348 V349 A354 I355 A356 C379 I380 T383 I455 | I348-I352 HydrophobicContact CD1-CD1 3.67Å; I348-I352 HydrophobicContact CD1-CG1 3.96Å; I348-I352 HydrophobicContact CG1-CD1 3.8Å; I348-I352 HydrophobicContact CG1-CG1 4.33Å; I348-I352 WeakPolarHBondContact O-CB 3.09Å; I348-I352 PolarHBondContact O-N 3.25Å; V349-I352 PolarHBondContact O-N 2.78Å; I352-A354 VanDerWaalsContact C-N 3.34Å; I352-A354 PolarHBondContact O-N 2.97Å; I352-I355 WeakPolarHBondContact O-CG1 3.4Å; I352-I355 PolarHBondContact O-N 3.11Å; I352-A356 WeakPolarHBondContact O-CB 3.41Å; I352-A356 PolarHBondContact O-N 2.86Å; I352-C379 HydrophobicContact CD1-CB 4.34Å; I352-C379 HydrophobicContact CG1-CB 4.31Å; I352-I380 HydrophobicContact CD1-CG1 4.28Å; I352-I380 HydrophobicContact CG2-CD1 4.02Å; I352-I380 HydrophobicContact CG2-CG1 3.62Å; I352-T383 WeakPolarHBondContact CD1-OG1 3.24Å; I352-I455 HydrophobicContact CD1-CD1 3.74Å; I352-I455 HydrophobicContact CG2-CD1 4.45Å; I352-I455 HydrophobicContact CG2-CG1 4.21Å; I352-I455 HydrophobicContact CG2-CG2 3.77Å |
| 353 | S | 91.6 | Very high | 86.3 | Confident | 26 Ų | 26 | 40 Ų | 40 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56 | -46.9 | 175.1 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | V349 F351 H357 S458 | V349-S353 VanDerWaalsContact O-CB 3.27Å; V349-S353 WeakPolarHBondContact O-CB 3.41Å; V349-S353 PolarHBondContact O-N 3.49Å; V349-S353 PolarHBondContact O-OG 2.94Å; F351-S353 VanDerWaalsContact C-N 3.32Å; F351-S353 PolarHBondContact O-N 3.41Å; S353-H357 VanDerWaalsContact O-CB 3.25Å; S353-H357 WeakPolarHBondContact O-CB 3.15Å; S353-H357 PolarHBondContact O-N 2.61Å; S353-S458 WeakPolarHBondContact CB-OG 3.16Å; S353-S458 WeakPolarHBondContact OG-CB 3.13Å; S353-S458 PolarHBondContact OG-OG 2.67Å |
| 354 | A | 92.6 | Very high | 86.7 | Confident | 25 Ų | 25 | 45.9 Ų | 45.9 | 21% | 0.207 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -49.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V316 P350 F351 I352 A356 H357 A358 | V316-A354 HydrophobicContact CG2-CB 3.91Å; P350-A354 WeakPolarHBondContact O-CB 3.37Å; P350-A354 PolarHBondContact O-N 2.69Å; F351-A354 PolarHBondContact O-N 2.62Å; I352-A354 VanDerWaalsContact C-N 3.34Å; I352-A354 PolarHBondContact O-N 2.97Å; A354-A356 PolarHBondContact O-N 2.76Å; A354-H357 PolarHBondContact O-N 3.19Å; A354-A358 PolarHBondContact O-N 3.11Å; A354-A358 VanDerWaalsContact O-N 3.15Å |
| 355 | I | 92.8 | Very high | 86.9 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -35 | -179.9 | 64 | -179.7 | 0 | 0 | 0 | 112.2 | V316 F351 I352 E359 T376 C379 | V316-I355 HydrophobicContact CG2-CG2 3.83Å; F351-I355 HydrophobicContact CD2-CG2 4.22Å; F351-I355 HydrophobicContact CE1-CD1 3.95Å; F351-I355 HydrophobicContact CE2-CD1 4.44Å; F351-I355 HydrophobicContact CE2-CG2 3.67Å; F351-I355 HydrophobicContact CZ-CD1 3.91Å; F351-I355 HydrophobicContact CZ-CG2 4.09Å; F351-I355 WeakPolarHBondContact O-CG1 3.42Å; F351-I355 PolarHBondContact O-N 2.86Å; F351-I355 VanDerWaalsContact O-N 3.13Å; I352-I355 WeakPolarHBondContact O-CG1 3.4Å; I352-I355 PolarHBondContact O-N 3.11Å; I355-E359 PolarHBondContact O-N 2.85Å; I355-T376 HydrophobicContact CD1-CG2 4.21Å; I355-T376 HydrophobicContact CG1-CG2 3.9Å; I355-C379 HydrophobicContact CD1-CB 4.34Å |
| 356 | A | 91.9 | Very high | 87 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.2 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I352 A354 A358 E359 I360 F370 T376 L459 | I352-A356 WeakPolarHBondContact O-CB 3.41Å; I352-A356 PolarHBondContact O-N 2.86Å; A354-A356 PolarHBondContact O-N 2.76Å; A356-A358 VanDerWaalsContact C-N 3.32Å; A356-A358 PolarHBondContact O-N 2.85Å; A356-E359 PolarHBondContact O-N 3.29Å; A356-I360 WeakPolarHBondContact O-CB 3.47Å; A356-I360 WeakPolarHBondContact O-CG1 3.49Å; A356-I360 PolarHBondContact O-N 2.86Å; A356-F370 HydrophobicContact CB-CE1 4.34Å; A356-F370 HydrophobicContact CB-CZ 4.03Å; A356-T376 HydrophobicContact CB-CG2 3.75Å; A356-L459 HydrophobicContact CB-CD2 3.4Å |
| 357 | H | 91.1 | Very high | 87.2 | Confident | 78 Ų | 78 | 44.6 Ų | 44.6 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59 | -45.1 | 175.6 | -172.3 | 76.7 | 0 | 0 | 0 | 111.4 | S353 A354 I360 N361 S462 | S353-H357 VanDerWaalsContact O-CB 3.25Å; S353-H357 WeakPolarHBondContact O-CB 3.15Å; S353-H357 PolarHBondContact O-N 2.61Å; A354-H357 PolarHBondContact O-N 3.19Å; H357-I360 PolarHBondContact O-N 3.35Å; H357-N361 PolarHBondContact CD2-ND2 3.33Å; H357-N361 PolarHBondContact NE2-ND2 2.95Å; H357-N361 WeakPolarHBondContact O-CB 3.23Å; H357-N361 VanDerWaalsContact O-CG 3.29Å; H357-N361 PolarHBondContact O-N 3.16Å; H357-N361 PolarHBondContact O-ND2 3.11Å; H357-S462 PolarHBondContact ND1-OG 3.5Å |
| 358 | A | 88.8 | Confident | 87.1 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | V316 A354 A356 N361 R362 | V316-A358 HydrophobicContact CG1-CB 3.34Å; A354-A358 PolarHBondContact O-N 3.11Å; A354-A358 VanDerWaalsContact O-N 3.15Å; A356-A358 VanDerWaalsContact C-N 3.32Å; A356-A358 PolarHBondContact O-N 2.85Å; A358-N361 PolarHBondContact O-N 3.49Å; A358-R362 WeakPolarHBondContact O-CG 3.4Å; A358-R362 PolarHBondContact O-N 3.14Å; A358-R362 VanDerWaalsContact O-N 3.13Å |
| 359 | E | 89.8 | Confident | 86.9 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 17% | 0.168 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.9 | -40.9 | 177.1 | -173.3 | 166.8 | 149.7 | 0 | 0 | 112.2 | I355 A356 R362 T363 F370 S374 T376 | I355-E359 PolarHBondContact O-N 2.85Å; A356-E359 PolarHBondContact O-N 3.29Å; E359-R362 PolarHBondContact O-N 2.89Å; E359-T363 PolarHBondContact O-N 3.26Å; E359-T363 VanDerWaalsContact O-N 3.14Å; E359-T363 PolarHBondContact O-OG1 3.15Å; E359-F370 HydrophobicContact CB-CE1 4.23Å; E359-F370 HydrophobicContact CG-CD1 4.4Å; E359-F370 HydrophobicContact CG-CE1 4.13Å; E359-F370 WeakPolarHBondContact OE1-CD1 3.44Å; E359-S374 VanDerWaalsContact CD-OG 3.3Å; E359-S374 PolarHBondContact OE1-OG 2.87Å; E359-S374 VanDerWaalsContact OE2-CB 3.22Å; E359-S374 WeakPolarHBondContact OE2-CB 3.46Å; E359-S374 PolarHBondContact OE2-OG 2.82Å; E359-T376 WeakPolarHBondContact OE2-CB 3.4Å; E359-T376 PolarHBondContact OE2-OG1 3.4Å |
| 360 | I | 89.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.9 | -69.2 | 170.9 | 0 | 0 | 0 | 110.6 | A356 H357 R362 T363 I369 F370 R466 F467 | A356-I360 WeakPolarHBondContact O-CB 3.47Å; A356-I360 WeakPolarHBondContact O-CG1 3.49Å; A356-I360 PolarHBondContact O-N 2.86Å; H357-I360 PolarHBondContact O-N 3.35Å; I360-R362 VanDerWaalsContact C-N 3.31Å; I360-R362 PolarHBondContact O-N 2.69Å; I360-T363 WeakPolarHBondContact O-CB 3.18Å; I360-T363 PolarHBondContact O-N 3.32Å; I360-T363 VanDerWaalsContact O-N 3.1Å; I360-I369 HydrophobicContact CD1-CD1 4.28Å; I360-I369 HydrophobicContact CG1-CD1 3.83Å; I360-I369 HydrophobicContact CG1-CG1 4.22Å; I360-I369 HydrophobicContact CG2-CD1 4.41Å; I360-F370 HydrophobicContact CD1-CE2 3.85Å; I360-F370 HydrophobicContact CD1-CZ 3.66Å; I360-F370 HydrophobicContact CG1-CE1 4.41Å; I360-F370 HydrophobicContact CG1-CE2 3.88Å; I360-F370 HydrophobicContact CG1-CZ 3.51Å; I360-R466 HydrophobicContact CG2-CB 3.8Å; I360-R466 HydrophobicContact CG2-CG 3.98Å; I360-F467 HydrophobicContact CG2-CE2 4.16Å |
| 361 | N | 87.3 | Confident | 86.3 | Confident | 69 Ų | 69 | 45.3 Ų | 45.3 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.3 | -35.5 | -179.7 | -73.7 | -18.4 | 0 | 0 | 0 | 112.7 | H357 A358 T363 | H357-N361 PolarHBondContact CD2-ND2 3.33Å; H357-N361 PolarHBondContact NE2-ND2 2.95Å; H357-N361 WeakPolarHBondContact O-CB 3.23Å; H357-N361 VanDerWaalsContact O-CG 3.29Å; H357-N361 PolarHBondContact O-N 3.16Å; H357-N361 PolarHBondContact O-ND2 3.11Å; A358-N361 PolarHBondContact O-N 3.49Å; N361-T363 VanDerWaalsContact C-N 3.31Å |
| 362 | R | 84.9 | Confident | 85.4 | Confident | 99 Ų | 99 | 47.3 Ų | 47.3 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -74.1 | -19.2 | 174.7 | -69.3 | 178.9 | -176 | 165.3 | -2.2 | 113.5 | S317 A358 E359 I360 D771 | S317-R362 PolarHBondContact OG-NH2 3.21Å; A358-R362 WeakPolarHBondContact O-CG 3.4Å; A358-R362 PolarHBondContact O-N 3.14Å; A358-R362 VanDerWaalsContact O-N 3.13Å; E359-R362 PolarHBondContact O-N 2.89Å; I360-R362 VanDerWaalsContact C-N 3.31Å; I360-R362 PolarHBondContact O-N 2.69Å; R362-D771 IonicContact CZ-OD1 2.74Å; R362-D771 IonicContact CZ-OD2 3.06Å; R362-D771 IonicContact NE-OD1 2.74Å; R362-D771 IonicContact NE-OD2 3.47Å; R362-D771 PolarHBondContact NE-OD2 3Å; R362-D771 IonicContact NH2-OD1 2.88Å; R362-D771 PolarHBondContact NH2-OD1 3.41Å; R362-D771 VanDerWaalsContact NH2-OD1 3.08Å; R362-D771 IonicContact NH2-OD2 2.82Å; R362-D771 PolarHBondContact NH2-OD2 3.35Å |
| 363 | T | 86.3 | Confident | 85 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | trans | -74.6 | 128.2 | -177.8 | -60 | 0 | 0 | 0 | 0 | 110.7 | E359 I360 N361 D365 T368 I369 R466 F467 | E359-T363 PolarHBondContact O-N 3.26Å; E359-T363 VanDerWaalsContact O-N 3.14Å; E359-T363 PolarHBondContact O-OG1 3.15Å; I360-T363 WeakPolarHBondContact O-CB 3.18Å; I360-T363 PolarHBondContact O-N 3.32Å; I360-T363 VanDerWaalsContact O-N 3.1Å; N361-T363 VanDerWaalsContact C-N 3.31Å; T363-D365 VanDerWaalsContact CG2-O 3.27Å; T363-D365 WeakPolarHBondContact CG2-O 3.44Å; T363-T368 WeakPolarHBondContact CG2-OG1 3.31Å; T363-I369 HydrophobicContact CG2-CB 4.46Å; T363-R466 PolarHBondContact O-NH2 3.47Å; T363-F467 HydrophobicContact CG2-CZ 4.48Å | ||
| 364 | Q | 83.3 | Confident | 84.9 | Confident | 155 Ų | 155 | 52.3 Ų | 52.3 | 72% | 0.724 | 28% | 0.275 | S | S | * | . | trans | -92.4 | -48.4 | 179.8 | -62.2 | -63.1 | -14.3 | 0 | 0 | 112.4 | ||||
| 365 | D | 81.4 | Confident | 84.9 | Confident | 70 Ų | 70 | 51.3 Ų | 51.3 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -94.6 | 120 | 178.1 | 176.9 | 9.7 | 0 | 0 | 0 | 110.4 | T363 N367 T368 | T363-D365 VanDerWaalsContact CG2-O 3.27Å; T363-D365 WeakPolarHBondContact CG2-O 3.44Å; D365-N367 PolarHBondContact O-N 2.98Å; D365-N367 VanDerWaalsContact O-N 3.08Å; D365-N367 WeakPolarHBondContact OD1-CB 3.46Å; D365-N367 PolarHBondContact OD1-N 2.85Å; D365-N367 PolarHBondContact OD1-ND2 3.43Å; D365-T368 HydrophobicContact CB-CG2 3.97Å; D365-T368 PolarHBondContact O-N 3.17Å; D365-T368 PolarHBondContact O-OG1 3.03Å |
| 366 | P | 79 | Confident | 84.9 | Confident | 31 Ų | 31 | 51.3 Ų | 51.3 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -53.7 | -29.8 | 175.9 | -22 | 29.1 | 0 | 0 | 0 | 113.8 | T368 I369 F467 V473 | P366-T368 PolarHBondContact O-N 3.39Å; P366-I369 WeakPolarHBondContact O-CG2 3.38Å; P366-I369 PolarHBondContact O-N 2.71Å; P366-F467 HydrophobicContact CB-CD1 4.4Å; P366-F467 HydrophobicContact CB-CE1 4.43Å; P366-F467 HydrophobicContact CG-CD1 3.7Å; P366-F467 HydrophobicContact CG-CE1 3.75Å; P366-F467 HydrophobicContact CG-CG 4.3Å; P366-F467 HydrophobicContact CG-CZ 4.39Å; P366-V473 HydrophobicContact CB-CG1 4.15Å; P366-V473 HydrophobicContact CB-CG2 3.63Å; P366-V473 HydrophobicContact CG-CG2 4.36Å |
| 367 | N | 76.8 | Confident | 84.9 | Confident | 91 Ų | 91 | 51.3 Ų | 51.3 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -73.5 | -7.8 | 179.2 | -60.2 | -72.8 | 0 | 0 | 0 | 113.3 | D365 R371 | D365-N367 PolarHBondContact O-N 2.98Å; D365-N367 VanDerWaalsContact O-N 3.08Å; D365-N367 WeakPolarHBondContact OD1-CB 3.46Å; D365-N367 PolarHBondContact OD1-N 2.85Å; D365-N367 PolarHBondContact OD1-ND2 3.43Å; N367-R371 WeakPolarHBondContact O-CD 3.34Å; N367-R371 PolarHBondContact O-NE 3.26Å; N367-R371 PolarHBondContact O-NH1 3.33Å |
| 368 | T | 80.6 | Confident | 85.1 | Confident | 70 Ų | 70 | 49.8 Ų | 49.8 | 43% | 0.429 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -103.7 | -5 | -179.5 | 63.4 | 0 | 0 | 0 | 0 | 113.5 | T363 D365 P366 F370 R371 | T363-T368 WeakPolarHBondContact CG2-OG1 3.31Å; D365-T368 HydrophobicContact CB-CG2 3.97Å; D365-T368 PolarHBondContact O-N 3.17Å; D365-T368 PolarHBondContact O-OG1 3.03Å; P366-T368 PolarHBondContact O-N 3.39Å; T368-F370 PolarHBondContact O-N 3.18Å; T368-R371 PolarHBondContact O-N 3.35Å; T368-R371 VanDerWaalsContact O-N 3.11Å |
| 369 | I | 81.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 124.7 | -179.2 | -162 | 169.5 | 0 | 0 | 0 | 111 | I360 T363 P366 R371 A463 F467 A477 | I360-I369 HydrophobicContact CD1-CD1 4.28Å; I360-I369 HydrophobicContact CG1-CD1 3.83Å; I360-I369 HydrophobicContact CG1-CG1 4.22Å; I360-I369 HydrophobicContact CG2-CD1 4.41Å; T363-I369 HydrophobicContact CG2-CB 4.46Å; P366-I369 WeakPolarHBondContact O-CG2 3.38Å; P366-I369 PolarHBondContact O-N 2.71Å; I369-R371 PolarHBondContact O-N 2.87Å; I369-A463 HydrophobicContact CD1-CB 4.24Å; I369-F467 HydrophobicContact CD1-CE2 4.42Å; I369-A477 HydrophobicContact CD1-CB 3.98Å |
| 370 | F | 81.6 | Confident | 85.5 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 23.2 | -179.4 | -53.6 | -59.1 | 0 | 0 | 0 | 116.1 | A356 E359 I360 T368 T376 L459 A477 F481 R485 | A356-F370 HydrophobicContact CB-CE1 4.34Å; A356-F370 HydrophobicContact CB-CZ 4.03Å; E359-F370 HydrophobicContact CB-CE1 4.23Å; E359-F370 HydrophobicContact CG-CD1 4.4Å; E359-F370 HydrophobicContact CG-CE1 4.13Å; E359-F370 WeakPolarHBondContact OE1-CD1 3.44Å; I360-F370 HydrophobicContact CD1-CE2 3.85Å; I360-F370 HydrophobicContact CD1-CZ 3.66Å; I360-F370 HydrophobicContact CG1-CE1 4.41Å; I360-F370 HydrophobicContact CG1-CE2 3.88Å; I360-F370 HydrophobicContact CG1-CZ 3.51Å; T368-F370 PolarHBondContact O-N 3.18Å; F370-T376 HydrophobicContact CD1-CG2 4.48Å; F370-T376 HydrophobicContact CE1-CG2 3.89Å; F370-L459 HydrophobicContact CE2-CD2 3.89Å; F370-L459 HydrophobicContact CZ-CD2 3.73Å; F370-A477 HydrophobicContact CE2-CB 4.49Å; F370-F481 HydrophobicContact CB-CE2 3.74Å; F370-F481 HydrophobicContact CB-CZ 3.64Å; F370-F481 HydrophobicContact CD1-CE2 4.06Å; F370-F481 AromaticContact CD1-CZ 3.86Å; F370-F481 HydrophobicContact CD1-CZ 3.86Å; F370-F481 HydrophobicContact CD2-CD2 4.45Å; F370-F481 AromaticContact CD2-CE2 3.47Å; F370-F481 HydrophobicContact CD2-CE2 3.47Å; F370-F481 VanDerWaalsContact CD2-CE2 3.47Å; F370-F481 HydrophobicContact CD2-CZ 4.09Å; F370-F481 HydrophobicContact CE2-CE2 4.06Å; F370-F481 AromaticContact CG-CE2 3.48Å; F370-F481 HydrophobicContact CG-CE2 3.48Å; F370-F481 VanDerWaalsContact CG-CE2 3.48Å; F370-F481 AromaticContact CG-CZ 3.59Å; F370-F481 HydrophobicContact CG-CZ 3.59Å; F370-R485 PolarHBondContact O-NH2 2.77Å |
| 371 | R | 76.6 | Confident | 85.5 | Confident | 156 Ų | 156 | 48.9 Ų | 48.9 | 59% | 0.589 | 25% | 0.252 | S | S | * | . | trans | -86.3 | -13.3 | 172 | -67.4 | -166.3 | 176.9 | 166.5 | 1.2 | 113.1 | N367 T368 I369 | N367-R371 WeakPolarHBondContact O-CD 3.34Å; N367-R371 PolarHBondContact O-NE 3.26Å; N367-R371 PolarHBondContact O-NH1 3.33Å; T368-R371 PolarHBondContact O-N 3.35Å; T368-R371 VanDerWaalsContact O-N 3.11Å; I369-R371 PolarHBondContact O-N 2.87Å | ||
| 372 | G | 73.9 | Confident | 85.6 | Confident | 42 Ų | 42 | 46.3 Ų | 46.3 | 43% | 0.433 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -76.7 | 172.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S377 R485 | G372-S377 PolarHBondContact O-OG 2.95Å; G372-R485 PolarHBondContact O-NH2 3.4Å |
| 373 | N | 83.1 | Confident | 85.5 | Confident | 111 Ų | 111 | 41.7 Ų | 41.7 | 59% | 0.594 | 22% | 0.22 | S | C | * | . | trans | -97.3 | 82.2 | 168.4 | -173.8 | 18.7 | 0 | 0 | 0 | 108.9 | K378 | N373-K378 WeakPolarHBondContact OD1-CE 3.48Š| ||
| 374 | S | 89.8 | Confident | 85.6 | Confident | 21 Ų | 21 | 41 Ų | 41 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | trans | -109.1 | 162.2 | -176.6 | 63.6 | 0 | 0 | 0 | 0 | 111.9 | E359 T376 S377 K378 | E359-S374 VanDerWaalsContact CD-OG 3.3Å; E359-S374 PolarHBondContact OE1-OG 2.87Å; E359-S374 VanDerWaalsContact OE2-CB 3.22Å; E359-S374 WeakPolarHBondContact OE2-CB 3.46Å; E359-S374 PolarHBondContact OE2-OG 2.82Å; S374-T376 VanDerWaalsContact C-N 3.25Å; S374-T376 PolarHBondContact O-N 2.59Å; S374-S377 PolarHBondContact N-OG 3.39Å; S374-S377 PolarHBondContact O-N 3.39Å; S374-S377 PolarHBondContact O-OG 3.09Å; S374-S377 WeakPolarHBondContact OG-CB 3.39Å; S374-S377 PolarHBondContact OG-N 2.91Å; S374-S377 VanDerWaalsContact OG-N 3.1Å; S374-S377 PolarHBondContact OG-OG 3.28Å; S374-K378 WeakPolarHBondContact O-CG 3.29Å; S374-K378 PolarHBondContact O-N 3.45Å; S374-K378 VanDerWaalsContact O-N 3.16Å | ||
| 375 | L | 92.1 | Very high | 85.6 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.4 | -44 | 170.2 | -180 | 66.5 | 0 | 0 | 0 | 110.7 | A321 A334 A335 L338 S377 K378 C379 | A321-L375 WeakPolarHBondContact O-CD2 3.35Å; A334-L375 HydrophobicContact CB-CD1 4.26Å; A335-L375 HydrophobicContact CB-CD1 4.46Å; L338-L375 HydrophobicContact CD1-CD1 4.2Å; L375-S377 PolarHBondContact O-N 3.38Å; L375-K378 PolarHBondContact O-N 3.38Å; L375-C379 WeakPolarHBondContact O-CB 3.42Å; L375-C379 PolarHBondContact O-N 3.41Å; L375-C379 PolarHBondContact O-SG 3.01Å; L375-C379 VanDerWaalsContact O-SG 3.34Å |
| 376 | T | 93.3 | Very high | 85.1 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.2 | -51.9 | 179.5 | -45.3 | 0 | 0 | 0 | 0 | 112.1 | I355 A356 E359 F370 S374 K378 C379 I380 | I355-T376 HydrophobicContact CD1-CG2 4.21Å; I355-T376 HydrophobicContact CG1-CG2 3.9Å; A356-T376 HydrophobicContact CB-CG2 3.75Å; E359-T376 WeakPolarHBondContact OE2-CB 3.4Å; E359-T376 PolarHBondContact OE2-OG1 3.4Å; F370-T376 HydrophobicContact CD1-CG2 4.48Å; F370-T376 HydrophobicContact CE1-CG2 3.89Å; S374-T376 VanDerWaalsContact C-N 3.25Å; S374-T376 PolarHBondContact O-N 2.59Å; T376-K378 VanDerWaalsContact C-N 3.28Å; T376-K378 PolarHBondContact O-N 3.12Å; T376-C379 PolarHBondContact O-N 3.21Å; T376-I380 HydrophobicContact CG2-CD1 3.79Å; T376-I380 WeakPolarHBondContact O-CG1 3.38Å; T376-I380 PolarHBondContact O-N 3.33Å |
| 377 | S | 92.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -38.9 | -179.4 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | G372 S374 L375 I380 D381 | G372-S377 PolarHBondContact O-OG 2.95Å; S374-S377 PolarHBondContact N-OG 3.39Å; S374-S377 PolarHBondContact O-N 3.39Å; S374-S377 PolarHBondContact O-OG 3.09Å; S374-S377 WeakPolarHBondContact OG-CB 3.39Å; S374-S377 PolarHBondContact OG-N 2.91Å; S374-S377 VanDerWaalsContact OG-N 3.1Å; S374-S377 PolarHBondContact OG-OG 3.28Å; L375-S377 PolarHBondContact O-N 3.38Å; S377-I380 PolarHBondContact O-N 3.11Å; S377-D381 WeakPolarHBondContact O-CB 3.4Å; S377-D381 PolarHBondContact O-N 2.92Å |
| 378 | K | 94.1 | Very high | 84.7 | Confident | 46 Ų | 46 | 32.4 Ų | 32.4 | 20% | 0.2 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.5 | -37.1 | 175.8 | -65.3 | -58.2 | 179.4 | -177.9 | 0 | 114 | K331 Q332 A335 N373 S374 L375 T376 D381 E382 | K331-K378 HydrophobicContact CB-CG 3.96Å; Q332-K378 HydrophobicContact CB-CD 4.36Å; A335-K378 HydrophobicContact CB-CB 3.65Å; N373-K378 WeakPolarHBondContact OD1-CE 3.48Å; S374-K378 WeakPolarHBondContact O-CG 3.29Å; S374-K378 PolarHBondContact O-N 3.45Å; S374-K378 VanDerWaalsContact O-N 3.16Å; L375-K378 PolarHBondContact O-N 3.38Å; T376-K378 VanDerWaalsContact C-N 3.28Å; T376-K378 PolarHBondContact O-N 3.12Å; K378-D381 PolarHBondContact O-N 3.46Å; K378-E382 PolarHBondContact O-N 2.8Å |
| 379 | C | 93.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 175.1 | -73.6 | 0 | 0 | 0 | 0 | 111.8 | V339 I352 I355 L375 T376 T383 | V339-C379 HydrophobicContact CG2-CB 3.79Å; V339-C379 WeakPolarHBondContact CG2-O 3.39Å; I352-C379 HydrophobicContact CD1-CB 4.34Å; I352-C379 HydrophobicContact CG1-CB 4.31Å; I355-C379 HydrophobicContact CD1-CB 4.34Å; L375-C379 WeakPolarHBondContact O-CB 3.42Å; L375-C379 PolarHBondContact O-N 3.41Å; L375-C379 PolarHBondContact O-SG 3.01Å; L375-C379 VanDerWaalsContact O-SG 3.34Å; T376-C379 PolarHBondContact O-N 3.21Å; C379-T383 WeakPolarHBondContact O-CB 3.49Å; C379-T383 PolarHBondContact O-N 3.01Å; C379-T383 PolarHBondContact O-OG1 3.31Å |
| 380 | I | 92.8 | Very high | 83.8 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.8 | -44.4 | 176.4 | -63.1 | 163.7 | 0 | 0 | 0 | 110.2 | I352 T376 S377 E382 T383 M384 I455 L459 F481 | I352-I380 HydrophobicContact CD1-CG1 4.28Å; I352-I380 HydrophobicContact CG2-CD1 4.02Å; I352-I380 HydrophobicContact CG2-CG1 3.62Å; T376-I380 HydrophobicContact CG2-CD1 3.79Å; T376-I380 WeakPolarHBondContact O-CG1 3.38Å; T376-I380 PolarHBondContact O-N 3.33Å; S377-I380 PolarHBondContact O-N 3.11Å; I380-E382 PolarHBondContact O-N 2.91Å; I380-T383 PolarHBondContact O-N 3.43Å; I380-M384 HydrophobicContact CG2-CE 4.14Å; I380-M384 HydrophobicContact CG2-CG 4.26Å; I380-M384 HydrophobicContact CG2-SD 4.31Å; I380-M384 WeakPolarHBondContact O-CG 3.16Å; I380-M384 PolarHBondContact O-N 3.4Å; I380-I455 HydrophobicContact CG1-CG2 4.35Å; I380-L459 HydrophobicContact CD1-CD1 4.14Å; I380-L459 HydrophobicContact CD1-CD2 4.2Å; I380-F481 HydrophobicContact CB-CD1 3.97Å; I380-F481 HydrophobicContact CB-CE1 3.73Å; I380-F481 HydrophobicContact CB-CZ 4.2Å; I380-F481 HydrophobicContact CD1-CD2 4.42Å; I380-F481 HydrophobicContact CD1-CE1 3.89Å; I380-F481 HydrophobicContact CD1-CE2 3.71Å; I380-F481 HydrophobicContact CD1-CZ 3.41Å; I380-F481 VanDerWaalsContact CD1-CZ 3.41Å; I380-F481 HydrophobicContact CG1-CE1 4.42Å; I380-F481 HydrophobicContact CG1-CZ 4.4Å; I380-F481 HydrophobicContact CG2-CB 4.31Å; I380-F481 HydrophobicContact CG2-CD1 3.44Å; I380-F481 VanDerWaalsContact CG2-CD1 3.44Å; I380-F481 HydrophobicContact CG2-CD2 4.3Å; I380-F481 HydrophobicContact CG2-CE1 3.74Å; I380-F481 HydrophobicContact CG2-CG 3.76Å; I380-F481 HydrophobicContact CG2-CZ 4.27Å |
| 381 | D | 91.1 | Very high | 83.5 | Confident | 36 Ų | 36 | 32.9 Ų | 32.9 | 19% | 0.193 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.3 | -49.5 | 176.3 | -72.3 | -14.8 | 0 | 0 | 0 | 111.7 | S377 K378 M384 K385 R485 | S377-D381 WeakPolarHBondContact O-CB 3.4Å; S377-D381 PolarHBondContact O-N 2.92Å; K378-D381 PolarHBondContact O-N 3.46Å; D381-M384 PolarHBondContact O-N 3.31Å; D381-K385 WeakPolarHBondContact O-CB 3.4Å; D381-K385 PolarHBondContact O-N 2.82Å; D381-R485 WeakPolarHBondContact OD1-CB 3.48Å; D381-R485 VanDerWaalsContact OD1-CD 3.27Å; D381-R485 WeakPolarHBondContact OD1-CD 3.47Å; D381-R485 IonicContact OD1-NH1 2.69Å; D381-R485 IonicContact OD2-NH1 2.79Å; D381-R485 PolarHBondContact OD2-NH1 2.88Å |
| 382 | E | 88.3 | Confident | 83.8 | Confident | 15 Ų | 15 | 25.4 Ų | 25.4 | 7% | 0.07 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.7 | -38.2 | 179 | -174.5 | 66.6 | -168.7 | 0 | 0 | 111.8 | I336 V339 K378 I380 K385 L386 | I336-E382 HydrophobicContact CG1-CG 4.34Å; V339-E382 HydrophobicContact CB-CB 4.49Å; V339-E382 HydrophobicContact CB-CG 4.24Å; V339-E382 HydrophobicContact CG1-CB 4.43Å; V339-E382 HydrophobicContact CG1-CG 4.15Å; V339-E382 HydrophobicContact CG2-CB 4.29Å; K378-E382 PolarHBondContact O-N 2.8Å; I380-E382 PolarHBondContact O-N 2.91Å; E382-K385 WeakPolarHBondContact O-CB 3.32Å; E382-K385 PolarHBondContact O-N 3.26Å; E382-L386 HydrophobicContact CG-CD1 4.07Å; E382-L386 HydrophobicContact CG-CG 4.42Å; E382-L386 WeakPolarHBondContact O-CG 3.32Å; E382-L386 PolarHBondContact O-N 3.49Å |
| 383 | T | 83.9 | Confident | 84 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 176.6 | -57 | 0 | 0 | 0 | 0 | 111.4 | V339 I348 I352 C379 I380 K385 L386 A387 V451 I455 | V339-T383 VanDerWaalsContact CG1-OG1 3.31Å; V339-T383 WeakPolarHBondContact CG1-OG1 3.38Å; I348-T383 HydrophobicContact CG1-CG2 4.36Å; I352-T383 WeakPolarHBondContact CD1-OG1 3.24Å; C379-T383 WeakPolarHBondContact O-CB 3.49Å; C379-T383 PolarHBondContact O-N 3.01Å; C379-T383 PolarHBondContact O-OG1 3.31Å; I380-T383 PolarHBondContact O-N 3.43Å; T383-K385 VanDerWaalsContact C-N 3.29Å; T383-K385 PolarHBondContact O-N 3.5Å; T383-L386 PolarHBondContact O-N 3.45Å; T383-A387 WeakPolarHBondContact O-CB 3.43Å; T383-A387 PolarHBondContact O-N 3.05Å; T383-V451 HydrophobicContact CG2-CG2 4.44Å; T383-I455 HydrophobicContact CG2-CD1 3.73Å |
| 384 | M | 87.1 | Confident | 83.6 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.02 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 174.8 | -69.7 | -168.8 | -61.5 | 0 | 0 | 111.4 | I380 D381 G388 M452 F456 F481 R485 F486 | I380-M384 HydrophobicContact CG2-CE 4.14Å; I380-M384 HydrophobicContact CG2-CG 4.26Å; I380-M384 HydrophobicContact CG2-SD 4.31Å; I380-M384 WeakPolarHBondContact O-CG 3.16Å; I380-M384 PolarHBondContact O-N 3.4Å; D381-M384 PolarHBondContact O-N 3.31Å; M384-G388 WeakPolarHBondContact O-CA 3.44Å; M384-G388 PolarHBondContact O-N 2.76Å; M384-M452 HydrophobicContact CB-CE 4.33Å; M384-M452 HydrophobicContact CG-CE 3.98Å; M384-M452 HydrophobicContact CG-CG 4.44Å; M384-M452 HydrophobicContact CG-SD 4.49Å; M384-M452 HydrophobicContact SD-CE 4.4Å; M384-F456 HydrophobicContact CG-CZ 4.35Å; M384-F456 HydrophobicContact SD-CE1 4.05Å; M384-F456 HydrophobicContact SD-CZ 3.75Å; M384-F481 HydrophobicContact CE-CB 3.88Å; M384-F481 HydrophobicContact CE-CD1 4.05Å; M384-F481 HydrophobicContact CE-CG 4.44Å; M384-F481 HydrophobicContact SD-CB 3.96Å; M384-R485 HydrophobicContact CE-CB 4.16Å; M384-F486 HydrophobicContact CB-CD2 3.91Å; M384-F486 HydrophobicContact CB-CE2 4.22Å; M384-F486 HydrophobicContact CE-CB 4.12Å; M384-F486 WeakPolarHBondContact O-CE2 3.24Å; M384-F486 HydrophobicContact SD-CB 4.07Å; M384-F486 HydrophobicContact SD-CG 4.43Å |
| 385 | K | 82.8 | Confident | 83.3 | Confident | 88 Ų | 88 | 21.5 Ų | 21.5 | 38% | 0.383 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.5 | -172.1 | -179.8 | 179.3 | -177 | 0 | 112.1 | D381 E382 T383 M389 | D381-K385 WeakPolarHBondContact O-CB 3.4Å; D381-K385 PolarHBondContact O-N 2.82Å; E382-K385 WeakPolarHBondContact O-CB 3.32Å; E382-K385 PolarHBondContact O-N 3.26Å; T383-K385 VanDerWaalsContact C-N 3.29Å; T383-K385 PolarHBondContact O-N 3.5Å; K385-M389 HydrophobicContact CG-CE 3.81Å |
| 386 | L | 72.3 | Confident | 83.3 | Confident | 49 Ų | 49 | 21.4 Ų | 21.4 | 26% | 0.257 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -72.8 | -45.2 | -179 | -69.8 | 173.1 | 0 | 0 | 0 | 112.6 | V339 R340 L343 E382 T383 | V339-L386 HydrophobicContact CG1-CD1 3.97Å; R340-L386 HydrophobicContact CG-CD1 4.06Å; L343-L386 HydrophobicContact CD1-CD1 3.8Å; E382-L386 HydrophobicContact CG-CD1 4.07Å; E382-L386 HydrophobicContact CG-CG 4.42Å; E382-L386 WeakPolarHBondContact O-CG 3.32Å; E382-L386 PolarHBondContact O-N 3.49Å; T383-L386 PolarHBondContact O-N 3.45Å |
| 387 | A | 74.2 | Confident | 83 | Confident | 29 Ų | 29 | 24.4 Ų | 24.4 | 24% | 0.24 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -86.1 | -34 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T383 P449 V451 M452 | T383-A387 WeakPolarHBondContact O-CB 3.43Å; T383-A387 PolarHBondContact O-N 3.05Å; A387-P449 HydrophobicContact CB-CB 4.4Å; A387-P449 WeakPolarHBondContact O-CG 3.46Å; A387-V451 HydrophobicContact CB-CG1 3.51Å; A387-M452 HydrophobicContact CB-CG 4.35Å; A387-M452 HydrophobicContact CB-SD 4.42Å |
| 388 | G | 72.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -89.8 | -9.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | M384 H390 Y391 L392 F486 | M384-G388 WeakPolarHBondContact O-CA 3.44Å; M384-G388 PolarHBondContact O-N 2.76Å; G388-H390 VanDerWaalsContact C-N 3.28Å; G388-H390 PolarHBondContact O-N 3.27Å; G388-Y391 WeakPolarHBondContact O-CB 3.34Å; G388-Y391 PolarHBondContact O-N 3.41Å; G388-L392 PolarHBondContact O-N 3.08Å; G388-F486 WeakPolarHBondContact O-CZ 3.38Å |
| 389 | M | 76.1 | Confident | 82.7 | Confident | 31 Ų | 31 | 26.6 Ų | 26.6 | 15% | 0.153 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.2 | -41.7 | -172.7 | -166.1 | 63 | 68.8 | 0 | 0 | 113.3 | K385 L392 Q393 F497 | K385-M389 HydrophobicContact CG-CE 3.81Å; M389-L392 WeakPolarHBondContact O-CB 3.3Å; M389-L392 PolarHBondContact O-N 2.63Å; M389-L392 HydrophobicContact SD-CD2 4.45Å; M389-Q393 WeakPolarHBondContact O-CG 3.42Å; M389-Q393 PolarHBondContact O-N 2.95Å; M389-F497 HydrophobicContact CE-CD1 4.48Å; M389-F497 HydrophobicContact SD-CB 4.35Å |
| 390 | H | 68.4 | Low | 82.6 | Confident | 46 Ų | 46 | 26.6 Ų | 26.6 | 21% | 0.213 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.5 | -45.4 | 176.7 | 178.5 | 64.9 | 0 | 0 | 0 | 112.2 | G388 L392 Q393 V394 I576 | G388-H390 VanDerWaalsContact C-N 3.28Å; G388-H390 PolarHBondContact O-N 3.27Å; H390-L392 PolarHBondContact O-N 3.25Å; H390-Q393 PolarHBondContact O-N 3.06Å; H390-Q393 VanDerWaalsContact O-N 3.11Å; H390-V394 WeakPolarHBondContact CE1-CG2 3.43Å; H390-V394 WeakPolarHBondContact O-CG2 3.48Å; H390-V394 PolarHBondContact O-N 2.9Å; H390-I576 HydrophobicContact CB-CG1 4.38Å; H390-I576 HydrophobicContact CB-CG2 4.48Å |
| 391 | Y | 73.7 | Confident | 82.4 | Confident | 8 Ų | 8 | 28.4 Ų | 28.4 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.1 | -42.3 | 176.5 | 170.1 | -118.6 | 0 | 0 | 0 | 111.2 | G388 T395 S444 R447 C448 F486 F487 F557 | G388-Y391 WeakPolarHBondContact O-CB 3.34Å; G388-Y391 PolarHBondContact O-N 3.41Å; Y391-T395 WeakPolarHBondContact O-CB 3.45Å; Y391-T395 PolarHBondContact O-N 2.86Å; Y391-T395 VanDerWaalsContact O-N 3.07Å; Y391-T395 PolarHBondContact O-OG1 3.41Å; Y391-S444 WeakPolarHBondContact CE2-O 3.39Å; Y391-S444 PolarHBondContact OH-OG 2.7Å; Y391-R447 HydrophobicContact CD2-CB 4.07Å; Y391-R447 WeakPolarHBondContact CD2-O 3.49Å; Y391-R447 HydrophobicContact CE2-CB 4.13Å; Y391-C448 HydrophobicContact CE2-CB 4.47Å; Y391-F486 AromaticContact CD1-CE1 3.99Å; Y391-F486 HydrophobicContact CD1-CE1 3.99Å; Y391-F486 HydrophobicContact CE1-CE1 4.39Å; Y391-F487 HydrophobicContact CD1-CZ 4.41Å; Y391-F487 HydrophobicContact CE1-CE1 4.1Å; Y391-F487 HydrophobicContact CE1-CE2 4.37Å; Y391-F487 AromaticContact CE1-CZ 3.47Å; Y391-F487 HydrophobicContact CE1-CZ 3.47Å; Y391-F487 VanDerWaalsContact CE1-CZ 3.47Å; Y391-F487 AromaticContact CZ-CZ 3.85Å; Y391-F557 WeakPolarHBondContact OH-CE2 3.35Å |
| 392 | L | 83.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 175.1 | -165.9 | 91.9 | 0 | 0 | 0 | 112.4 | G388 M389 H390 T395 L396 F486 F487 A490 F497 L499 | G388-L392 PolarHBondContact O-N 3.08Å; M389-L392 WeakPolarHBondContact O-CB 3.3Å; M389-L392 PolarHBondContact O-N 2.63Å; M389-L392 HydrophobicContact SD-CD2 4.45Å; H390-L392 PolarHBondContact O-N 3.25Å; L392-T395 PolarHBondContact O-N 2.91Å; L392-L396 HydrophobicContact CD1-CD1 3.92Å; L392-L396 HydrophobicContact CG-CD1 4.21Å; L392-L396 WeakPolarHBondContact O-CB 3.26Å; L392-L396 PolarHBondContact O-N 2.8Å; L392-F486 HydrophobicContact CB-CE1 4.24Å; L392-F486 HydrophobicContact CB-CZ 3.86Å; L392-F486 HydrophobicContact CD1-CD1 3.96Å; L392-F486 HydrophobicContact CD1-CE1 3.57Å; L392-F486 HydrophobicContact CD1-CE2 4.2Å; L392-F486 HydrophobicContact CD1-CG 4.43Å; L392-F486 HydrophobicContact CD1-CZ 3.7Å; L392-F486 HydrophobicContact CG-CZ 4.35Å; L392-F487 HydrophobicContact CD1-CD1 3.87Å; L392-F487 HydrophobicContact CD1-CE1 4.24Å; L392-A490 HydrophobicContact CD1-CB 3.57Å; L392-A490 HydrophobicContact CD2-CB 3.64Å; L392-A490 HydrophobicContact CG-CB 4.02Å; L392-F497 HydrophobicContact CD2-CB 3.53Å; L392-F497 HydrophobicContact CD2-CD1 3.68Å; L392-F497 HydrophobicContact CD2-CG 3.91Å; L392-L499 HydrophobicContact CD2-CD1 3.92Å; L392-L499 HydrophobicContact CD2-CD2 3.97Å; L392-L499 HydrophobicContact CD2-CG 4.09Å; L392-L499 HydrophobicContact CG-CD1 4.34Å; L392-L499 HydrophobicContact CG-CD2 4.32Å |
| 393 | Q | 78.1 | Confident | 82.5 | Confident | 29 Ų | 29 | 29 Ų | 29 | 14% | 0.136 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.9 | -48.3 | 178.5 | -77.6 | 175.2 | -6.9 | 0 | 0 | 111.9 | M389 H390 T395 K397 L499 | M389-Q393 WeakPolarHBondContact O-CG 3.42Å; M389-Q393 PolarHBondContact O-N 2.95Å; H390-Q393 PolarHBondContact O-N 3.06Å; H390-Q393 VanDerWaalsContact O-N 3.11Å; Q393-T395 VanDerWaalsContact C-N 3.26Å; Q393-T395 PolarHBondContact O-N 2.7Å; Q393-K397 WeakPolarHBondContact O-CB 3.41Å; Q393-K397 PolarHBondContact O-N 2.94Å; Q393-K397 VanDerWaalsContact O-N 3.1Å; Q393-L499 HydrophobicContact CB-CD2 4.29Å; Q393-L499 HydrophobicContact CG-CD2 3.74Å |
| 394 | V | 73.8 | Confident | 82.7 | Confident | 60 Ų | 60 | 29.5 Ų | 29.5 | 36% | 0.364 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.5 | -34 | -179.9 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | H390 | H390-V394 WeakPolarHBondContact CE1-CG2 3.43Å; H390-V394 WeakPolarHBondContact O-CG2 3.48Å; H390-V394 PolarHBondContact O-N 2.9Å |
| 395 | T | 83.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -82.3 | -47.7 | -175.8 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | Y391 L392 Q393 V440 I441 F487 | Y391-T395 WeakPolarHBondContact O-CB 3.45Å; Y391-T395 PolarHBondContact O-N 2.86Å; Y391-T395 VanDerWaalsContact O-N 3.07Å; Y391-T395 PolarHBondContact O-OG1 3.41Å; L392-T395 PolarHBondContact O-N 2.91Å; Q393-T395 VanDerWaalsContact C-N 3.26Å; Q393-T395 PolarHBondContact O-N 2.7Å; T395-V440 HydrophobicContact CG2-CG1 3.8Å; T395-V440 WeakPolarHBondContact O-CG1 3.46Å; T395-I441 HydrophobicContact CG2-CG1 4.27Å; T395-F487 HydrophobicContact CG2-CE1 4.28Å |
| 396 | L | 92.1 | Very high | 82.9 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -104.3 | -30.4 | -169 | -63.9 | -176.4 | 0 | 0 | 0 | 114.8 | L392 P398 I399 I400 I437 I441 F487 A490 I491 L499 | L392-L396 HydrophobicContact CD1-CD1 3.92Å; L392-L396 HydrophobicContact CG-CD1 4.21Å; L392-L396 WeakPolarHBondContact O-CB 3.26Å; L392-L396 PolarHBondContact O-N 2.8Å; L396-P398 VanDerWaalsContact C-CD 3.49Å; L396-I399 PolarHBondContact O-N 3.26Å; L396-I400 HydrophobicContact CB-CD1 3.82Å; L396-I400 WeakPolarHBondContact O-CG1 3.28Å; L396-I400 PolarHBondContact O-N 3.47Å; L396-I437 HydrophobicContact CD2-CG2 4.1Å; L396-I441 HydrophobicContact CD2-CD1 4.09Å; L396-I441 HydrophobicContact CD2-CG1 3.98Å; L396-F487 HydrophobicContact CD1-CD1 3.91Å; L396-F487 HydrophobicContact CG-CD1 4.31Å; L396-A490 HydrophobicContact CD1-CB 4.14Å; L396-I491 HydrophobicContact CD1-CD1 4.48Å; L396-I491 HydrophobicContact CD1-CG1 3.87Å; L396-L499 HydrophobicContact CB-CD1 4.25Å; L396-L499 HydrophobicContact CD1-CD1 4.45Å |
| 397 | K | 86.8 | Confident | 83.4 | Confident | 66 Ų | 66 | 36.9 Ų | 36.9 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -56.8 | -44.4 | -170.4 | -174.5 | 168 | 171.3 | 41.1 | 0 | 113.8 | Q393 I399 I400 D401 L499 | Q393-K397 WeakPolarHBondContact O-CB 3.41Å; Q393-K397 PolarHBondContact O-N 2.94Å; Q393-K397 VanDerWaalsContact O-N 3.1Å; K397-I399 VanDerWaalsContact C-N 3.34Å; K397-I399 PolarHBondContact O-N 2.86Å; K397-I400 PolarHBondContact O-N 3.45Å; K397-D401 WeakPolarHBondContact CG-OD2 3.4Å; K397-D401 IonicContact NZ-OD1 3.37Å; K397-D401 PolarHBondContact NZ-OD1 2.74Å; K397-D401 IonicContact NZ-OD2 2.8Å; K397-D401 PolarHBondContact NZ-OD2 2.81Å; K397-D401 WeakPolarHBondContact O-CB 3.49Å; K397-D401 PolarHBondContact O-N 2.87Å; K397-L499 HydrophobicContact CB-CD2 4.2Å; K397-L499 PolarHBondContact NZ-O 2.87Å |
| 398 | P | 88.4 | Confident | 84 | Confident | 81 Ų | 81 | 39.3 Ų | 39.3 | 53% | 0.526 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.5 | -43.6 | -178.7 | -24.3 | 35.2 | 0 | 0 | 0 | 112.9 | L396 E402 | L396-P398 VanDerWaalsContact C-CD 3.49Å; P398-E402 PolarHBondContact O-N 2.71Å; P398-E402 VanDerWaalsContact O-N 3.17Å |
| 399 | I | 92.2 | Very high | 84.5 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.3 | -39.2 | -178.7 | -53.8 | 173.5 | 0 | 0 | 0 | 110.7 | L396 K397 D401 E402 I403 R436 I437 V440 | L396-I399 PolarHBondContact O-N 3.26Å; K397-I399 VanDerWaalsContact C-N 3.34Å; K397-I399 PolarHBondContact O-N 2.86Å; I399-D401 VanDerWaalsContact C-N 3.35Å; I399-E402 WeakPolarHBondContact O-CB 3.46Å; I399-E402 PolarHBondContact O-N 2.92Å; I399-I403 HydrophobicContact CG2-CD1 3.96Å; I399-I403 HydrophobicContact CG2-CG1 4.41Å; I399-I403 VanDerWaalsContact O-CG1 3.32Å; I399-I403 WeakPolarHBondContact O-CG1 3.5Å; I399-I403 PolarHBondContact O-N 2.96Å; I399-R436 HydrophobicContact CD1-CB 4.42Å; I399-I437 HydrophobicContact CB-CG1 4.27Å; I399-I437 HydrophobicContact CD1-CG1 4.05Å; I399-I437 HydrophobicContact CG2-CD1 4.12Å; I399-I437 HydrophobicContact CG2-CG1 3.69Å; I399-V440 HydrophobicContact CD1-CB 4.05Å; I399-V440 HydrophobicContact CD1-CG2 3.83Å |
| 400 | I | 92.1 | Very high | 85 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | 176.8 | -70.8 | 170.8 | 0 | 0 | 0 | 111.2 | L396 K397 E402 I403 C404 P494 L499 R500 | L396-I400 HydrophobicContact CB-CD1 3.82Å; L396-I400 WeakPolarHBondContact O-CG1 3.28Å; L396-I400 PolarHBondContact O-N 3.47Å; K397-I400 PolarHBondContact O-N 3.45Å; I400-E402 VanDerWaalsContact C-N 3.29Å; I400-E402 PolarHBondContact O-N 2.5Å; I400-I403 PolarHBondContact O-N 3.08Å; I400-C404 WeakPolarHBondContact O-CB 3.48Å; I400-C404 PolarHBondContact O-N 3.35Å; I400-C404 PolarHBondContact O-SG 3.45Å; I400-P494 HydrophobicContact CD1-CB 4.46Å; I400-P494 HydrophobicContact CD1-CG 4.38Å; I400-P494 HydrophobicContact CG2-CB 3.99Å; I400-P494 HydrophobicContact CG2-CG 3.99Å; I400-L499 HydrophobicContact CD1-CD1 3.56Å; I400-R500 HydrophobicContact CG2-CG 4.07Å |
| 401 | D | 88.6 | Confident | 86 | Confident | 40 Ų | 40 | 38.3 Ų | 38.3 | 21% | 0.214 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.1 | -37.7 | 176.3 | -78.9 | -29.1 | 0 | 0 | 0 | 111.1 | K397 I399 T405 R500 | K397-D401 WeakPolarHBondContact CG-OD2 3.4Å; K397-D401 IonicContact NZ-OD1 3.37Å; K397-D401 PolarHBondContact NZ-OD1 2.74Å; K397-D401 IonicContact NZ-OD2 2.8Å; K397-D401 PolarHBondContact NZ-OD2 2.81Å; K397-D401 WeakPolarHBondContact O-CB 3.49Å; K397-D401 PolarHBondContact O-N 2.87Å; I399-D401 VanDerWaalsContact C-N 3.35Å; D401-T405 WeakPolarHBondContact O-CB 3.44Å; D401-T405 PolarHBondContact O-N 3.39Å; D401-T405 VanDerWaalsContact O-N 3.13Å; D401-T405 PolarHBondContact O-OG1 2.96Å; D401-R500 WeakPolarHBondContact OD1-CD 3.33Å; D401-R500 IonicContact OD1-CZ 2.63Å; D401-R500 IonicContact OD1-NE 3.33Å; D401-R500 IonicContact OD1-NH1 3.35Å; D401-R500 PolarHBondContact OD1-NH1 2.94Å |
| 402 | E | 91.1 | Very high | 86.6 | Confident | 60 Ų | 60 | 38.1 Ų | 38.1 | 28% | 0.28 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.1 | -50.9 | 174 | -172.1 | -178.8 | 157.3 | 0 | 0 | 112.7 | P398 I399 I400 C404 T405 E406 R436 | P398-E402 PolarHBondContact O-N 2.71Å; P398-E402 VanDerWaalsContact O-N 3.17Å; I399-E402 WeakPolarHBondContact O-CB 3.46Å; I399-E402 PolarHBondContact O-N 2.92Å; I400-E402 VanDerWaalsContact C-N 3.29Å; I400-E402 PolarHBondContact O-N 2.5Å; E402-C404 PolarHBondContact O-N 2.87Å; E402-T405 WeakPolarHBondContact O-CA 3.35Å; E402-T405 PolarHBondContact O-N 3.18Å; E402-E406 HydrophobicContact CG-CG 4.11Å; E402-E406 WeakPolarHBondContact O-CG 3.47Å; E402-E406 PolarHBondContact O-N 2.78Å; E402-R436 VanDerWaalsContact CD-NH1 3.34Å; E402-R436 IonicContact OE1-CZ 3.68Å; E402-R436 IonicContact OE1-NH1 3.08Å; E402-R436 PolarHBondContact OE1-NH1 2.72Å; E402-R436 IonicContact OE1-NH2 3.75Å; E402-R436 PolarHBondContact OE1-NH2 3.2Å; E402-R436 IonicContact OE2-CZ 2.64Å; E402-R436 IonicContact OE2-NH1 3.25Å; E402-R436 PolarHBondContact OE2-NH1 3.23Å; E402-R436 IonicContact OE2-NH2 3.12Å; E402-R436 PolarHBondContact OE2-NH2 2.84Å |
| 403 | I | 91.4 | Very high | 86.7 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54 | -43.8 | 176.6 | -68.9 | 163 | 0 | 0 | 0 | 110.7 | I399 I400 T405 H407 Y433 I437 T508 T511 L512 I515 | I399-I403 HydrophobicContact CG2-CD1 3.96Å; I399-I403 HydrophobicContact CG2-CG1 4.41Å; I399-I403 VanDerWaalsContact O-CG1 3.32Å; I399-I403 WeakPolarHBondContact O-CG1 3.5Å; I399-I403 PolarHBondContact O-N 2.96Å; I400-I403 PolarHBondContact O-N 3.08Å; I403-T405 PolarHBondContact O-N 2.93Å; I403-H407 PolarHBondContact O-N 2.79Å; I403-Y433 HydrophobicContact CD1-CD1 4.17Å; I403-Y433 HydrophobicContact CD1-CG 4.22Å; I403-Y433 HydrophobicContact CG1-CD1 3.62Å; I403-Y433 HydrophobicContact CG1-CD2 4.31Å; I403-Y433 HydrophobicContact CG1-CE1 3.61Å; I403-Y433 HydrophobicContact CG1-CE2 4.28Å; I403-Y433 HydrophobicContact CG1-CG 3.98Å; I403-I437 HydrophobicContact CD1-CD1 3.88Å; I403-T508 HydrophobicContact CG2-CG2 4.35Å; I403-T511 HydrophobicContact CG2-CG2 4.17Å; I403-L512 HydrophobicContact CD1-CD2 4.49Å; I403-L512 HydrophobicContact CG2-CD2 4.33Å; I403-I515 HydrophobicContact CD1-CD1 3.77Å |
| 404 | C | 86.7 | Confident | 86.9 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.9 | -16.7 | 178.1 | -65 | 0 | 0 | 0 | 0 | 113.8 | I400 E402 H407 T508 | I400-C404 WeakPolarHBondContact O-CB 3.48Å; I400-C404 PolarHBondContact O-N 3.35Å; I400-C404 PolarHBondContact O-SG 3.45Å; E402-C404 PolarHBondContact O-N 2.87Å; C404-H407 PolarHBondContact O-CE1 2.87Å; C404-H407 PolarHBondContact O-NE2 3.29Å; C404-H407 VanDerWaalsContact O-NE2 3.16Å; C404-T508 HydrophobicContact CB-CG2 4.44Å |
| 405 | T | 87.3 | Confident | 87.4 | Confident | 104 Ų | 104 | 45.1 Ų | 45.1 | 64% | 0.638 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -94.8 | -38.5 | 179 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | D401 E402 I403 | D401-T405 WeakPolarHBondContact O-CB 3.44Å; D401-T405 PolarHBondContact O-N 3.39Å; D401-T405 VanDerWaalsContact O-N 3.13Å; D401-T405 PolarHBondContact O-OG1 2.96Å; E402-T405 WeakPolarHBondContact O-CA 3.35Å; E402-T405 PolarHBondContact O-N 3.18Å; I403-T405 PolarHBondContact O-N 2.93Å |
| 406 | E | 87.1 | Confident | 87.3 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -75.1 | -27.2 | -177.6 | -65.4 | -165.4 | 142.7 | 0 | 0 | 113.4 | E402 K408 Y433 | E402-E406 HydrophobicContact CG-CG 4.11Å; E402-E406 WeakPolarHBondContact O-CG 3.47Å; E402-E406 PolarHBondContact O-N 2.78Å; E406-K408 HydrophobicContact CB-CD 4.47Å; E406-K408 HydrophobicContact CB-CG 4.17Å; E406-K408 VanDerWaalsContact CD-NZ 3.25Å; E406-K408 PolarHBondContact O-N 3.2Å; E406-K408 IonicContact OE1-NZ 3.78Å; E406-K408 PolarHBondContact OE1-NZ 3.27Å; E406-K408 WeakPolarHBondContact OE2-CE 3.31Å; E406-K408 IonicContact OE2-NZ 3.21Å; E406-K408 PolarHBondContact OE2-NZ 2.74Å; E406-Y433 PolarHBondContact OE2-OH 3.1Å |
| 407 | H | 83.6 | Confident | 86.9 | Confident | 115 Ų | 115 | 53 Ų | 53 | 53% | 0.532 | 28% | 0.282 | S | S | . | . | trans | 50.3 | 30.6 | 179.6 | -70.4 | -70.4 | 0 | 0 | 0 | 114.8 | I403 C404 S409 D505 T508 | I403-H407 PolarHBondContact O-N 2.79Å; C404-H407 PolarHBondContact O-CE1 2.87Å; C404-H407 PolarHBondContact O-NE2 3.29Å; C404-H407 VanDerWaalsContact O-NE2 3.16Å; H407-S409 PolarHBondContact O-N 2.82Å; H407-D505 IonicContact CE1-OD2 2.72Å; H407-D505 PolarHBondContact CE1-OD2 2.88Å; H407-D505 IonicContact ND1-OD2 3.78Å; H407-D505 PolarHBondContact ND1-OD2 2.87Å; H407-T508 PolarHBondContact ND1-OG1 2.84Å | ||
| 408 | K | 86 | Confident | 86.7 | Confident | 80 Ų | 80 | 56.3 Ų | 56.3 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | trans | -66.7 | 132.2 | 177.5 | -68 | 176.4 | -175.6 | 153.2 | 0 | 111 | E406 Y433 | E406-K408 HydrophobicContact CB-CD 4.47Å; E406-K408 HydrophobicContact CB-CG 4.17Å; E406-K408 VanDerWaalsContact CD-NZ 3.25Å; E406-K408 PolarHBondContact O-N 3.2Å; E406-K408 IonicContact OE1-NZ 3.78Å; E406-K408 PolarHBondContact OE1-NZ 3.27Å; E406-K408 WeakPolarHBondContact OE2-CE 3.31Å; E406-K408 IonicContact OE2-NZ 3.21Å; E406-K408 PolarHBondContact OE2-NZ 2.74Å; K408-Y433 HydrophobicContact CB-CE2 4.34Å | ||
| 409 | S | 83.9 | Confident | 86 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | trans | -67.6 | 133.3 | 172.9 | -165.9 | 0 | 0 | 0 | 0 | 110.1 | H407 E421 N426 N429 | H407-S409 PolarHBondContact O-N 2.82Å; S409-E421 VanDerWaalsContact CB-OE1 3.24Å; S409-E421 WeakPolarHBondContact CB-OE1 3.36Å; S409-E421 PolarHBondContact OG-OE1 3.31Å; S409-N426 PolarHBondContact O-OD1 3.08Å; S409-N426 PolarHBondContact OG-ND2 3.14Å; S409-N429 PolarHBondContact O-ND2 3.42Å; S409-N429 VanDerWaalsContact O-ND2 3.16Å | ||
| 410 | C | 86.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.007 | 35% | 0.353 | C | S | . | . | trans | -128.1 | 20.5 | 178.2 | -64 | 0 | 0 | 0 | 0 | 110.5 | I412 L430 T511 L514 | C410-I412 PolarHBondContact O-N 3.19Å; C410-L430 HydrophobicContact CB-CB 4.03Å; C410-L430 HydrophobicContact CB-CD1 4.14Å; C410-T511 HydrophobicContact CB-CG2 3.77Å; C410-T511 VanDerWaalsContact SG-CG2 3.55Å; C410-L514 WeakPolarHBondContact O-CD1 3.33Å | ||
| 411 | E | 89.3 | Confident | 84.8 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | trans | -71.8 | 123.3 | 179.2 | -172.5 | 58.8 | -97.1 | 0 | 0 | 109.9 | D413 K416 L417 N426 R510 | E411-D413 VanDerWaalsContact OE1-CB 3.23Å; E411-D413 WeakPolarHBondContact OE1-CB 3.31Å; E411-D413 PolarHBondContact OE1-N 3.48Å; E411-D413 VanDerWaalsContact OE1-N 3.07Å; E411-K416 HydrophobicContact CG-CB 4.02Å; E411-L417 HydrophobicContact CB-CD1 4.48Å; E411-L417 VanDerWaalsContact O-CD1 3.31Å; E411-L417 WeakPolarHBondContact O-CD1 3.2Å; E411-N426 VanDerWaalsContact O-CB 3.28Å; E411-N426 WeakPolarHBondContact O-CB 3.29Å; E411-N426 PolarHBondContact O-ND2 3.44Å; E411-R510 IonicContact OE1-CZ 3.64Å; E411-R510 IonicContact OE1-NE 2.74Å; E411-R510 PolarHBondContact OE1-NE 3.25Å; E411-R510 IonicContact OE1-NH2 3.58Å; E411-R510 PolarHBondContact OE1-NH2 2.88Å; E411-R510 WeakPolarHBondContact OE2-CG 3.38Å; E411-R510 IonicContact OE2-CZ 3.39Å; E411-R510 IonicContact OE2-NE 3.76Å; E411-R510 PolarHBondContact OE2-NE 2.96Å; E411-R510 IonicContact OE2-NH2 3.39Å | ||
| 412 | I | 86.8 | Confident | 84.6 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.015 | 38% | 0.378 | C | S | . | . | trans | -121 | 1.3 | -177.1 | 57 | 164.9 | 0 | 0 | 0 | 112.4 | C410 P414 L423 R427 L430 L514 Y537 M538 F541 | C410-I412 PolarHBondContact O-N 3.19Å; I412-P414 WeakPolarHBondContact O-CD 3.24Å; I412-L423 HydrophobicContact CB-CD1 4.35Å; I412-R427 HydrophobicContact CG2-CB 4.11Å; I412-L430 HydrophobicContact CD1-CD2 3.67Å; I412-L430 HydrophobicContact CG1-CD2 4.23Å; I412-L430 HydrophobicContact CG2-CD2 4.27Å; I412-L514 HydrophobicContact CG1-CD1 4.17Å; I412-L514 HydrophobicContact CG1-CD2 4.49Å; I412-Y537 HydrophobicContact CD1-CD2 4.3Å; I412-Y537 HydrophobicContact CD1-CE2 4.41Å; I412-Y537 HydrophobicContact CG1-CD2 4.05Å; I412-Y537 HydrophobicContact CG1-CE2 4.13Å; I412-M538 HydrophobicContact CD1-CE 4.32Å; I412-M538 HydrophobicContact CD1-SD 3.38Å; I412-M538 WeakPolarHBondContact CD1-SD 3.42Å; I412-M538 HydrophobicContact CG1-SD 4.25Å; I412-F541 HydrophobicContact CD1-CB 4.26Å; I412-F541 HydrophobicContact CD1-CG 4.29Å | ||
| 413 | D | 85.8 | Confident | 84.4 | Confident | 19 Ų | 19 | 72 Ų | 72 | 10% | 0.102 | 38% | 0.378 | C | S | . | . | trans | -81.2 | 113 | 169.4 | -176.4 | -12.6 | 0 | 0 | 0 | 109.5 | E411 V415 K416 L417 Y537 | E411-D413 VanDerWaalsContact OE1-CB 3.23Å; E411-D413 WeakPolarHBondContact OE1-CB 3.31Å; E411-D413 PolarHBondContact OE1-N 3.48Å; E411-D413 VanDerWaalsContact OE1-N 3.07Å; D413-V415 PolarHBondContact O-N 3.04Å; D413-V415 VanDerWaalsContact O-N 3.08Å; D413-V415 WeakPolarHBondContact OD1-CB 3.44Å; D413-V415 PolarHBondContact OD1-N 3Å; D413-K416 HydrophobicContact CB-CB 4.21Å; D413-K416 HydrophobicContact CB-CD 4.25Å; D413-K416 HydrophobicContact CB-CG 4.35Å; D413-K416 PolarHBondContact O-N 3.41Å; D413-K416 WeakPolarHBondContact OD2-CD 3.23Å; D413-K416 VanDerWaalsContact OD2-CE 3.29Å; D413-K416 WeakPolarHBondContact OD2-CE 3.45Å; D413-K416 IonicContact OD2-NZ 3.25Å; D413-K416 PolarHBondContact OD2-NZ 3.44Å; D413-L417 PolarHBondContact O-N 2.88Å; D413-Y537 HydrophobicContact CB-CD2 4.21Å; D413-Y537 HydrophobicContact CB-CE2 4.22Å; D413-Y537 HydrophobicContact CB-CG 4.4Å | ||
| 414 | P | 82.1 | Confident | 84.1 | Confident | 83 Ų | 83 | 76.4 Ų | 76.4 | 54% | 0.539 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.5 | -177.9 | -24 | 34.7 | 0 | 0 | 0 | 113.8 | I412 | I412-P414 WeakPolarHBondContact O-CD 3.24Š|
| 415 | V | 84.9 | Confident | 84.1 | Confident | 135 Ų | 135 | 79.5 Ų | 79.5 | 82% | 0.818 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -23.7 | -179.4 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | D413 | D413-V415 PolarHBondContact O-N 3.04Å; D413-V415 VanDerWaalsContact O-N 3.08Å; D413-V415 WeakPolarHBondContact OD1-CB 3.44Å; D413-V415 PolarHBondContact OD1-N 3Å |
| 416 | K | 81.9 | Confident | 84.2 | Confident | 119 Ų | 119 | 75 Ų | 75 | 52% | 0.517 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -3.7 | -178 | -64 | 177.5 | -174.1 | 157.7 | 0 | 113.4 | E411 D413 | E411-K416 HydrophobicContact CG-CB 4.02Å; D413-K416 HydrophobicContact CB-CB 4.21Å; D413-K416 HydrophobicContact CB-CD 4.25Å; D413-K416 HydrophobicContact CB-CG 4.35Å; D413-K416 PolarHBondContact O-N 3.41Å; D413-K416 WeakPolarHBondContact OD2-CD 3.23Å; D413-K416 VanDerWaalsContact OD2-CE 3.29Å; D413-K416 WeakPolarHBondContact OD2-CE 3.45Å; D413-K416 IonicContact OD2-NZ 3.25Å; D413-K416 PolarHBondContact OD2-NZ 3.44Å |
| 417 | L | 83.6 | Confident | 84.3 | Confident | 49 Ų | 49 | 73.3 Ų | 73.3 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | trans | -66.8 | 132.3 | 178.9 | -151.3 | 82.8 | 0 | 0 | 0 | 109.9 | E411 D413 E421 L423 | E411-L417 HydrophobicContact CB-CD1 4.48Å; E411-L417 VanDerWaalsContact O-CD1 3.31Å; E411-L417 WeakPolarHBondContact O-CD1 3.2Å; D413-L417 PolarHBondContact O-N 2.88Å; L417-E421 HydrophobicContact CD1-CB 4.33Å; L417-E421 WeakPolarHBondContact CD2-O 3.29Å; L417-E421 HydrophobicContact CG-CB 4.09Å; L417-L423 HydrophobicContact CD1-CD1 4.19Å; L417-L423 HydrophobicContact CD2-CB 4.17Å | ||
| 418 | K | 82.4 | Confident | 84.6 | Confident | 136 Ų | 136 | 71.2 Ų | 71.2 | 59% | 0.591 | 37% | 0.37 | S | S | * | . | trans | -77.6 | 152.4 | 172.7 | -63.3 | 174 | -176.1 | 169.6 | 0 | 110.1 | S420 E421 | K418-S420 PolarHBondContact O-N 3.4Å; K418-E421 HydrophobicContact CB-CG 4.12Å; K418-E421 PolarHBondContact N-OE2 2.98Å; K418-E421 VanDerWaalsContact N-OE2 3.16Å; K418-E421 PolarHBondContact O-N 3.01Å | ||
| 419 | E | 72.7 | Confident | 84.8 | Confident | 211 Ų | 211 | 68.8 Ų | 68.8 | 99% | 0.986 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.2 | -179.9 | -66.5 | -176.1 | 169 | 0 | 0 | 114 | ||
| 420 | S | 76.1 | Confident | 85.2 | Confident | 112 Ų | 112 | 67.1 Ų | 67.1 | 78% | 0.783 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -5.4 | 179 | 64.9 | 0 | 0 | 0 | 0 | 114.9 | K418 | K418-S420 PolarHBondContact O-N 3.4Š|
| 421 | E | 82.4 | Confident | 85.5 | Confident | 48 Ų | 48 | 70.2 Ų | 70.2 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | trans | -101.6 | 142.5 | -172 | -70.6 | 179.4 | 144.8 | 0 | 0 | 111.7 | S409 L417 K418 | S409-E421 VanDerWaalsContact CB-OE1 3.24Å; S409-E421 WeakPolarHBondContact CB-OE1 3.36Å; S409-E421 PolarHBondContact OG-OE1 3.31Å; L417-E421 HydrophobicContact CD1-CB 4.33Å; L417-E421 WeakPolarHBondContact CD2-O 3.29Å; L417-E421 HydrophobicContact CG-CB 4.09Å; K418-E421 HydrophobicContact CB-CG 4.12Å; K418-E421 PolarHBondContact N-OE2 2.98Å; K418-E421 VanDerWaalsContact N-OE2 3.16Å; K418-E421 PolarHBondContact O-N 3.01Å | ||
| 422 | N | 85.3 | Confident | 85.6 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | trans | -101.2 | 120 | 177.1 | -172.5 | -45.2 | 0 | 0 | 0 | 110.1 | E424 T425 N426 | N422-E424 VanDerWaalsContact C-N 3.3Å; N422-E424 PolarHBondContact O-N 3.03Å; N422-E424 PolarHBondContact OD1-N 3.48Å; N422-T425 PolarHBondContact O-N 3.32Å; N422-T425 PolarHBondContact OD1-N 3.2Å; N422-N426 WeakPolarHBondContact O-CB 3.38Å; N422-N426 VanDerWaalsContact O-CG 3.32Å; N422-N426 PolarHBondContact O-N 2.54Å; N422-N426 PolarHBondContact O-OD1 3.45Å | ||
| 423 | L | 85.9 | Confident | 86 | Confident | 55 Ų | 55 | 73.5 Ų | 73.5 | 29% | 0.288 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.4 | -40.8 | -178.7 | -177.5 | 65.7 | 0 | 0 | 0 | 112.8 | I412 L417 N426 R427 | I412-L423 HydrophobicContact CB-CD1 4.35Å; L417-L423 HydrophobicContact CD1-CD1 4.19Å; L417-L423 HydrophobicContact CD2-CB 4.17Å; L423-N426 PolarHBondContact O-N 2.99Å; L423-R427 VanDerWaalsContact O-CB 3.3Å; L423-R427 WeakPolarHBondContact O-CB 3.48Å; L423-R427 PolarHBondContact O-N 2.9Å |
| 424 | E | 85.6 | Confident | 86.4 | Confident | 97 Ų | 97 | 72.6 Ų | 72.6 | 45% | 0.453 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73.3 | -39.8 | -175.5 | -164.7 | 60.2 | -160 | 0 | 0 | 111.2 | N422 R427 E428 | N422-E424 VanDerWaalsContact C-N 3.3Å; N422-E424 PolarHBondContact O-N 3.03Å; N422-E424 PolarHBondContact OD1-N 3.48Å; E424-R427 PolarHBondContact O-N 2.89Å; E424-R427 IonicContact OE2-NH1 3.76Å; E424-R427 PolarHBondContact OE2-NH1 3.21Å; E424-E428 PolarHBondContact O-N 2.89Å |
| 425 | T | 87.4 | Confident | 86.9 | Confident | 76 Ų | 76 | 70.8 Ų | 70.8 | 47% | 0.466 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 172.7 | -51.5 | 0 | 0 | 0 | 0 | 111.5 | N422 R427 E428 N429 | N422-T425 PolarHBondContact O-N 3.32Å; N422-T425 PolarHBondContact OD1-N 3.2Å; T425-R427 VanDerWaalsContact C-N 3.31Å; T425-R427 PolarHBondContact O-N 3.49Å; T425-E428 PolarHBondContact O-N 3.32Å; T425-N429 PolarHBondContact O-N 2.85Å; T425-N429 PolarHBondContact O-ND2 2.89Å |
| 426 | N | 89.4 | Confident | 87.3 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 177.7 | -73.9 | -0.1 | 0 | 0 | 0 | 111.9 | S409 E411 N422 L423 L430 | S409-N426 PolarHBondContact O-OD1 3.08Å; S409-N426 PolarHBondContact OG-ND2 3.14Å; E411-N426 VanDerWaalsContact O-CB 3.28Å; E411-N426 WeakPolarHBondContact O-CB 3.29Å; E411-N426 PolarHBondContact O-ND2 3.44Å; N422-N426 WeakPolarHBondContact O-CB 3.38Å; N422-N426 VanDerWaalsContact O-CG 3.32Å; N422-N426 PolarHBondContact O-N 2.54Å; N422-N426 PolarHBondContact O-OD1 3.45Å; L423-N426 PolarHBondContact O-N 2.99Å; N426-L430 WeakPolarHBondContact O-CB 3.41Å; N426-L430 PolarHBondContact O-N 3.22Å |
| 427 | R | 88.4 | Confident | 88 | Confident | 42 Ų | 42 | 63.4 Ų | 63.4 | 16% | 0.158 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 175.8 | -179.9 | -179.1 | -87.7 | 162.1 | -8.3 | 111.7 | I412 L423 E424 T425 L430 R431 F541 | I412-R427 HydrophobicContact CG2-CB 4.11Å; L423-R427 VanDerWaalsContact O-CB 3.3Å; L423-R427 WeakPolarHBondContact O-CB 3.48Å; L423-R427 PolarHBondContact O-N 2.9Å; E424-R427 PolarHBondContact O-N 2.89Å; E424-R427 IonicContact OE2-NH1 3.76Å; E424-R427 PolarHBondContact OE2-NH1 3.21Å; T425-R427 VanDerWaalsContact C-N 3.31Å; T425-R427 PolarHBondContact O-N 3.49Å; R427-L430 PolarHBondContact O-N 3.47Å; R427-R431 WeakPolarHBondContact O-CB 3.45Å; R427-R431 PolarHBondContact O-N 3.32Å; R427-F541 HydrophobicContact CG-CD2 3.84Å; R427-F541 HydrophobicContact CG-CE2 4.26Å |
| 428 | E | 89.8 | Confident | 88.5 | Confident | 71 Ų | 71 | 61.6 Ų | 61.6 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68 | -39.7 | 177.8 | -176.3 | 55.1 | -151 | 0 | 0 | 111.8 | E424 T425 L430 R431 Q432 | E424-E428 PolarHBondContact O-N 2.89Å; T425-E428 PolarHBondContact O-N 3.32Å; E428-L430 VanDerWaalsContact C-N 3.34Å; E428-L430 PolarHBondContact O-N 3.37Å; E428-R431 WeakPolarHBondContact O-CB 3.49Å; E428-R431 PolarHBondContact O-N 3.43Å; E428-R431 IonicContact OE2-NH1 3.58Å; E428-Q432 WeakPolarHBondContact O-CG 3.47Å; E428-Q432 PolarHBondContact O-N 3.09Å; E428-Q432 PolarHBondContact OE1-NE2 3.36Å |
| 429 | N | 91.5 | Very high | 89 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 15% | 0.15 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.6 | -47.9 | 171.6 | -69.8 | -26.2 | 0 | 0 | 0 | 111.5 | S409 T425 R431 Q432 Y433 | S409-N429 PolarHBondContact O-ND2 3.42Å; S409-N429 VanDerWaalsContact O-ND2 3.16Å; T425-N429 PolarHBondContact O-N 2.85Å; T425-N429 PolarHBondContact O-ND2 2.89Å; N429-R431 VanDerWaalsContact C-N 3.35Å; N429-R431 PolarHBondContact O-N 2.98Å; N429-Q432 PolarHBondContact O-N 3.36Å; N429-Y433 VanDerWaalsContact O-CD2 3.31Å; N429-Y433 WeakPolarHBondContact O-CD2 3.47Å; N429-Y433 PolarHBondContact O-N 2.95Å |
| 430 | L | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 178.5 | -177 | 62.1 | 0 | 0 | 0 | 111.3 | C410 I412 N426 R427 E428 Y433 V434 L514 I515 F541 | C410-L430 HydrophobicContact CB-CB 4.03Å; C410-L430 HydrophobicContact CB-CD1 4.14Å; I412-L430 HydrophobicContact CD1-CD2 3.67Å; I412-L430 HydrophobicContact CG1-CD2 4.23Å; I412-L430 HydrophobicContact CG2-CD2 4.27Å; N426-L430 WeakPolarHBondContact O-CB 3.41Å; N426-L430 PolarHBondContact O-N 3.22Å; R427-L430 PolarHBondContact O-N 3.47Å; E428-L430 VanDerWaalsContact C-N 3.34Å; E428-L430 PolarHBondContact O-N 3.37Å; L430-Y433 PolarHBondContact O-N 2.78Å; L430-V434 HydrophobicContact CD1-CG2 4.36Å; L430-V434 HydrophobicContact CG-CG2 4.5Å; L430-V434 VanDerWaalsContact O-CG2 3.3Å; L430-V434 WeakPolarHBondContact O-CG2 3.23Å; L430-V434 PolarHBondContact O-N 2.94Å; L430-L514 HydrophobicContact CD1-CB 3.81Å; L430-L514 HydrophobicContact CD2-CB 4.09Å; L430-L514 HydrophobicContact CD2-CD1 4.33Å; L430-I515 HydrophobicContact CD1-CG1 3.67Å; L430-F541 HydrophobicContact CB-CE2 4.22Å; L430-F541 HydrophobicContact CB-CZ 4.06Å; L430-F541 HydrophobicContact CD2-CD1 4.14Å; L430-F541 HydrophobicContact CD2-CD2 4.46Å; L430-F541 HydrophobicContact CD2-CE1 3.67Å; L430-F541 HydrophobicContact CD2-CE2 4.03Å; L430-F541 HydrophobicContact CD2-CZ 3.62Å; L430-F541 HydrophobicContact CG-CE1 3.92Å; L430-F541 HydrophobicContact CG-CE2 4.08Å; L430-F541 HydrophobicContact CG-CZ 3.49Å; L430-F541 VanDerWaalsContact CG-CZ 3.49Å |
| 431 | R | 91.6 | Very high | 90.7 | Very high | 65 Ų | 65 | 46.2 Ų | 46.2 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.2 | -50.4 | 177.4 | -174.9 | -173.4 | 176.4 | 177.4 | 4.7 | 111.5 | R427 E428 N429 Y433 V434 D435 F541 F545 | R427-R431 WeakPolarHBondContact O-CB 3.45Å; R427-R431 PolarHBondContact O-N 3.32Å; E428-R431 WeakPolarHBondContact O-CB 3.49Å; E428-R431 PolarHBondContact O-N 3.43Å; E428-R431 IonicContact OE2-NH1 3.58Å; N429-R431 VanDerWaalsContact C-N 3.35Å; N429-R431 PolarHBondContact O-N 2.98Å; R431-Y433 VanDerWaalsContact C-N 3.35Å; R431-Y433 PolarHBondContact O-N 2.76Å; R431-V434 PolarHBondContact O-N 2.85Å; R431-D435 IonicContact NE-OD2 2.88Å; R431-D435 PolarHBondContact O-N 3.25Å; R431-F541 HydrophobicContact CB-CE2 3.99Å; R431-F541 HydrophobicContact CB-CZ 4.4Å; R431-F545 HydrophobicContact CG-CZ 4.01Å |
| 432 | Q | 92.6 | Very high | 91 | Very high | 90 Ų | 90 | 44.9 Ų | 44.9 | 42% | 0.421 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.9 | -42.2 | -178.8 | -71.1 | 177.1 | 19 | 0 | 0 | 112.4 | E428 N429 R436 | E428-Q432 WeakPolarHBondContact O-CG 3.47Å; E428-Q432 PolarHBondContact O-N 3.09Å; E428-Q432 PolarHBondContact OE1-NE2 3.36Å; N429-Q432 PolarHBondContact O-N 3.36Å; Q432-R436 WeakPolarHBondContact O-CB 3.39Å; Q432-R436 VanDerWaalsContact O-CG 3.25Å; Q432-R436 WeakPolarHBondContact O-CG 3.47Å; Q432-R436 PolarHBondContact O-N 3.1Å; Q432-R436 VanDerWaalsContact O-N 3.1Å |
| 433 | Y | 94.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 175.7 | -68.8 | -42 | 0 | 0 | 0 | 112.6 | I403 E406 K408 N429 L430 R431 I437 T511 I515 | I403-Y433 HydrophobicContact CD1-CD1 4.17Å; I403-Y433 HydrophobicContact CD1-CG 4.22Å; I403-Y433 HydrophobicContact CG1-CD1 3.62Å; I403-Y433 HydrophobicContact CG1-CD2 4.31Å; I403-Y433 HydrophobicContact CG1-CE1 3.61Å; I403-Y433 HydrophobicContact CG1-CE2 4.28Å; I403-Y433 HydrophobicContact CG1-CG 3.98Å; E406-Y433 PolarHBondContact OE2-OH 3.1Å; K408-Y433 HydrophobicContact CB-CE2 4.34Å; N429-Y433 VanDerWaalsContact O-CD2 3.31Å; N429-Y433 WeakPolarHBondContact O-CD2 3.47Å; N429-Y433 PolarHBondContact O-N 2.95Å; L430-Y433 PolarHBondContact O-N 2.78Å; R431-Y433 VanDerWaalsContact C-N 3.35Å; R431-Y433 PolarHBondContact O-N 2.76Å; Y433-I437 WeakPolarHBondContact O-CB 3.28Å; Y433-I437 WeakPolarHBondContact O-CG1 3.46Å; Y433-I437 PolarHBondContact O-N 3.04Å; Y433-T511 HydrophobicContact CD2-CG2 4.36Å; Y433-T511 HydrophobicContact CE2-CG2 4.45Å; Y433-I515 HydrophobicContact CD2-CD1 4.26Å; Y433-I515 HydrophobicContact CG-CD1 4.29Å |
| 434 | V | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -49 | 176.9 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | L430 R431 R436 I437 F438 I515 T518 I519 L522 F541 F545 | L430-V434 HydrophobicContact CD1-CG2 4.36Å; L430-V434 HydrophobicContact CG-CG2 4.5Å; L430-V434 VanDerWaalsContact O-CG2 3.3Å; L430-V434 WeakPolarHBondContact O-CG2 3.23Å; L430-V434 PolarHBondContact O-N 2.94Å; R431-V434 PolarHBondContact O-N 2.85Å; V434-R436 VanDerWaalsContact C-N 3.33Å; V434-R436 PolarHBondContact O-N 2.92Å; V434-I437 PolarHBondContact O-N 3.32Å; V434-F438 WeakPolarHBondContact O-CB 3.41Å; V434-F438 PolarHBondContact O-N 2.85Å; V434-I515 HydrophobicContact CG2-CB 4.48Å; V434-I515 HydrophobicContact CG2-CG1 4.26Å; V434-I515 HydrophobicContact CG2-CG2 4.4Å; V434-T518 HydrophobicContact CG1-CG2 3.72Å; V434-T518 HydrophobicContact CG2-CG2 4.17Å; V434-I519 HydrophobicContact CG1-CD1 4.1Å; V434-L522 HydrophobicContact CG1-CD1 4.2Å; V434-F541 HydrophobicContact CG2-CE1 4.44Å; V434-F541 HydrophobicContact CG2-CZ 4.36Å; V434-F545 HydrophobicContact CB-CE1 4.33Å; V434-F545 HydrophobicContact CB-CZ 3.95Å; V434-F545 HydrophobicContact CG1-CD1 4.4Å; V434-F545 HydrophobicContact CG1-CE1 3.62Å; V434-F545 HydrophobicContact CG1-CE2 4.31Å; V434-F545 HydrophobicContact CG1-CZ 3.57Å |
| 435 | D | 92.9 | Very high | 90 | Very high | 45 Ų | 45 | 37.3 Ų | 37.3 | 24% | 0.241 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 179.9 | -86.8 | -35.2 | 0 | 0 | 0 | 111.9 | R431 F438 N439 F545 Y550 | R431-D435 IonicContact NE-OD2 2.88Å; R431-D435 PolarHBondContact O-N 3.25Å; D435-F438 PolarHBondContact O-N 2.79Å; D435-N439 VanDerWaalsContact O-CB 3.28Å; D435-N439 WeakPolarHBondContact O-CB 3.27Å; D435-N439 PolarHBondContact O-N 3.09Å; D435-F545 WeakPolarHBondContact OD1-CE1 3.35Å; D435-Y550 WeakPolarHBondContact OD1-CE1 3.48Å; D435-Y550 PolarHBondContact OD1-OH 3.29Å |
| 436 | R | 94.1 | Very high | 89.1 | Confident | 99 Ų | 99 | 39.2 Ų | 39.2 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.2 | -46.8 | 178.5 | -71.9 | 176.1 | 65.2 | -166.8 | -1.1 | 112.4 | I399 E402 Q432 V434 N439 V440 | I399-R436 HydrophobicContact CD1-CB 4.42Å; E402-R436 VanDerWaalsContact CD-NH1 3.34Å; E402-R436 IonicContact OE1-CZ 3.68Å; E402-R436 IonicContact OE1-NH1 3.08Å; E402-R436 PolarHBondContact OE1-NH1 2.72Å; E402-R436 IonicContact OE1-NH2 3.75Å; E402-R436 PolarHBondContact OE1-NH2 3.2Å; E402-R436 IonicContact OE2-CZ 2.64Å; E402-R436 IonicContact OE2-NH1 3.25Å; E402-R436 PolarHBondContact OE2-NH1 3.23Å; E402-R436 IonicContact OE2-NH2 3.12Å; E402-R436 PolarHBondContact OE2-NH2 2.84Å; Q432-R436 WeakPolarHBondContact O-CB 3.39Å; Q432-R436 VanDerWaalsContact O-CG 3.25Å; Q432-R436 WeakPolarHBondContact O-CG 3.47Å; Q432-R436 PolarHBondContact O-N 3.1Å; Q432-R436 VanDerWaalsContact O-N 3.1Å; V434-R436 VanDerWaalsContact C-N 3.33Å; V434-R436 PolarHBondContact O-N 2.92Å; R436-N439 PolarHBondContact O-N 2.87Å; R436-V440 WeakPolarHBondContact O-CG2 3.41Å; R436-V440 PolarHBondContact O-N 3.34Å; R436-V440 VanDerWaalsContact O-N 3.08Å |
| 437 | I | 95 | Very high | 88 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 177.9 | -73.2 | 172.4 | 0 | 0 | 0 | 110.2 | L396 I399 I403 Y433 V434 N439 V440 I441 I491 I515 I519 | L396-I437 HydrophobicContact CD2-CG2 4.1Å; I399-I437 HydrophobicContact CB-CG1 4.27Å; I399-I437 HydrophobicContact CD1-CG1 4.05Å; I399-I437 HydrophobicContact CG2-CD1 4.12Å; I399-I437 HydrophobicContact CG2-CG1 3.69Å; I403-I437 HydrophobicContact CD1-CD1 3.88Å; Y433-I437 WeakPolarHBondContact O-CB 3.28Å; Y433-I437 WeakPolarHBondContact O-CG1 3.46Å; Y433-I437 PolarHBondContact O-N 3.04Å; V434-I437 PolarHBondContact O-N 3.32Å; I437-N439 PolarHBondContact O-N 3.18Å; I437-V440 PolarHBondContact O-N 2.78Å; I437-I441 HydrophobicContact CG2-CD1 3.67Å; I437-I441 HydrophobicContact CG2-CG1 4.38Å; I437-I441 VanDerWaalsContact O-CG1 3.29Å; I437-I441 WeakPolarHBondContact O-CG1 3.37Å; I437-I441 PolarHBondContact O-N 2.8Å; I437-I491 HydrophobicContact CG2-CD1 3.82Å; I437-I515 HydrophobicContact CD1-CD1 4.42Å; I437-I515 HydrophobicContact CD1-CG2 3.52Å; I437-I519 HydrophobicContact CB-CD1 4.39Å; I437-I519 HydrophobicContact CG2-CD1 3.91Å; I437-I519 HydrophobicContact CG2-CG1 4.01Å |
| 438 | F | 94.4 | Very high | 87.1 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 178.5 | -179.3 | -89.9 | 0 | 0 | 0 | 112 | V434 D435 I441 T442 I519 L522 Y550 A553 V554 | V434-F438 WeakPolarHBondContact O-CB 3.41Å; V434-F438 PolarHBondContact O-N 2.85Å; D435-F438 PolarHBondContact O-N 2.79Å; F438-I441 PolarHBondContact O-N 3.48Å; F438-T442 HydrophobicContact CD1-CG2 4.24Å; F438-T442 HydrophobicContact CE1-CG2 3.74Å; F438-T442 HydrophobicContact CE2-CG2 4.07Å; F438-T442 HydrophobicContact CZ-CG2 3.65Å; F438-T442 WeakPolarHBondContact O-CG2 3.48Å; F438-T442 PolarHBondContact O-N 2.9Å; F438-T442 PolarHBondContact O-OG1 3.3Å; F438-I519 HydrophobicContact CB-CD1 3.86Å; F438-I519 HydrophobicContact CD2-CD1 4.38Å; F438-L522 HydrophobicContact CD2-CB 4.37Å; F438-L522 HydrophobicContact CD2-CD1 3.84Å; F438-L522 HydrophobicContact CE2-CB 4.16Å; F438-L522 HydrophobicContact CE2-CD1 4.21Å; F438-Y550 AromaticContact CD1-CD1 3.74Å; F438-Y550 HydrophobicContact CD1-CD1 3.74Å; F438-Y550 HydrophobicContact CD1-CE1 4.03Å; F438-Y550 HydrophobicContact CD2-CD1 4.49Å; F438-Y550 AromaticContact CE1-CD1 3.46Å; F438-Y550 HydrophobicContact CE1-CD1 3.46Å; F438-Y550 VanDerWaalsContact CE1-CD1 3.46Å; F438-Y550 HydrophobicContact CE1-CE1 4.16Å; F438-Y550 HydrophobicContact CE1-CG 4.41Å; F438-Y550 HydrophobicContact CE2-CD1 4.23Å; F438-Y550 HydrophobicContact CG-CD1 4.26Å; F438-Y550 AromaticContact CZ-CD1 3.72Å; F438-Y550 HydrophobicContact CZ-CD1 3.72Å; F438-Y550 HydrophobicContact CZ-CG 4.38Å; F438-Y550 WeakPolarHBondContact CZ-O 3.34Å; F438-A553 HydrophobicContact CE1-CB 3.94Å; F438-A553 HydrophobicContact CZ-CB 4.04Å; F438-V554 HydrophobicContact CE2-CG2 3.55Å; F438-V554 HydrophobicContact CZ-CG2 3.73Å |
| 439 | N | 92.9 | Very high | 86.4 | Confident | 93 Ų | 93 | 41.2 Ų | 41.2 | 50% | 0.497 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 179.2 | -173.8 | 30.8 | 0 | 0 | 0 | 111.9 | D435 R436 I437 I441 T442 T443 | D435-N439 VanDerWaalsContact O-CB 3.28Å; D435-N439 WeakPolarHBondContact O-CB 3.27Å; D435-N439 PolarHBondContact O-N 3.09Å; R436-N439 PolarHBondContact O-N 2.87Å; I437-N439 PolarHBondContact O-N 3.18Å; N439-I441 VanDerWaalsContact C-N 3.34Å; N439-I441 PolarHBondContact O-N 2.78Å; N439-T442 PolarHBondContact O-N 2.9Å; N439-T442 PolarHBondContact O-OG1 3.48Å; N439-T443 WeakPolarHBondContact O-CB 3.41Å; N439-T443 WeakPolarHBondContact O-CG2 3.46Å; N439-T443 PolarHBondContact O-N 3.01Å; N439-T443 PolarHBondContact O-OG1 3.21Å |
| 440 | V | 92.5 | Very high | 85.4 | Confident | 43 Ų | 43 | 43.4 Ų | 43.4 | 26% | 0.261 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.6 | -35.6 | 178.8 | 174 | 0 | 0 | 0 | 0 | 111.7 | T395 I399 R436 I437 T443 S444 | T395-V440 HydrophobicContact CG2-CG1 3.8Å; T395-V440 WeakPolarHBondContact O-CG1 3.46Å; I399-V440 HydrophobicContact CD1-CB 4.05Å; I399-V440 HydrophobicContact CD1-CG2 3.83Å; R436-V440 WeakPolarHBondContact O-CG2 3.41Å; R436-V440 PolarHBondContact O-N 3.34Å; R436-V440 VanDerWaalsContact O-N 3.08Å; I437-V440 PolarHBondContact O-N 2.78Å; V440-T443 PolarHBondContact O-OG1 3.14Å; V440-S444 WeakPolarHBondContact O-CB 3.37Å; V440-S444 PolarHBondContact O-N 2.88Å; V440-S444 PolarHBondContact O-OG 2.75Å |
| 441 | I | 93.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -55 | 172.8 | -69.3 | 168.9 | 0 | 0 | 0 | 110.6 | T395 L396 I437 F438 N439 T443 S444 F483 F487 I519 F557 | T395-I441 HydrophobicContact CG2-CG1 4.27Å; L396-I441 HydrophobicContact CD2-CD1 4.09Å; L396-I441 HydrophobicContact CD2-CG1 3.98Å; I437-I441 HydrophobicContact CG2-CD1 3.67Å; I437-I441 HydrophobicContact CG2-CG1 4.38Å; I437-I441 VanDerWaalsContact O-CG1 3.29Å; I437-I441 WeakPolarHBondContact O-CG1 3.37Å; I437-I441 PolarHBondContact O-N 2.8Å; F438-I441 PolarHBondContact O-N 3.48Å; N439-I441 VanDerWaalsContact C-N 3.34Å; N439-I441 PolarHBondContact O-N 2.78Å; I441-T443 VanDerWaalsContact C-N 3.28Å; I441-T443 PolarHBondContact O-N 2.88Å; I441-S444 WeakPolarHBondContact O-CB 3.49Å; I441-S444 PolarHBondContact O-N 3.01Å; I441-S444 PolarHBondContact O-OG 3.29Å; I441-F483 HydrophobicContact CG2-CE1 3.86Å; I441-F483 HydrophobicContact CG2-CZ 3.93Å; I441-F487 HydrophobicContact CD1-CB 4.25Å; I441-F487 HydrophobicContact CD1-CD1 4.34Å; I441-F487 HydrophobicContact CD1-CD2 4.44Å; I441-F487 HydrophobicContact CD1-CG 4.13Å; I441-F487 HydrophobicContact CG1-CD1 4.31Å; I441-F487 HydrophobicContact CG1-CE1 4.31Å; I441-F487 HydrophobicContact CG1-CG 4.43Å; I441-F487 HydrophobicContact CG1-CZ 4.42Å; I441-F487 HydrophobicContact CG2-CD2 3.89Å; I441-F487 HydrophobicContact CG2-CE2 3.6Å; I441-F487 HydrophobicContact CG2-CZ 4.03Å; I441-I519 HydrophobicContact CD1-CG2 4.04Å; I441-F557 HydrophobicContact CG2-CE1 4.39Å; I441-F557 HydrophobicContact CG2-CZ 4.29Å; I441-F557 WeakPolarHBondContact O-CD2 3.2Å; I441-F557 VanDerWaalsContact O-CE2 3.28Å; I441-F557 WeakPolarHBondContact O-CE2 3.27Å |
| 442 | T | 88.9 | Confident | 84 | Confident | 19 Ų | 19 | 42 Ų | 42 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.5 | -29.2 | -173.3 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | F438 N439 A553 F557 | F438-T442 HydrophobicContact CD1-CG2 4.24Å; F438-T442 HydrophobicContact CE1-CG2 3.74Å; F438-T442 HydrophobicContact CE2-CG2 4.07Å; F438-T442 HydrophobicContact CZ-CG2 3.65Å; F438-T442 WeakPolarHBondContact O-CG2 3.48Å; F438-T442 PolarHBondContact O-N 2.9Å; F438-T442 PolarHBondContact O-OG1 3.3Å; N439-T442 PolarHBondContact O-N 2.9Å; N439-T442 PolarHBondContact O-OG1 3.48Å; T442-A553 HydrophobicContact CG2-CB 4.14Å; T442-F557 HydrophobicContact CG2-CB 4.37Å; T442-F557 WeakPolarHBondContact O-CD2 3.37Å |
| 443 | T | 82.8 | Confident | 83.3 | Confident | 84 Ų | 84 | 38.4 Ų | 38.4 | 52% | 0.515 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -85.5 | -9.1 | 174.6 | 58 | 0 | 0 | 0 | 0 | 113.9 | N439 V440 I441 | N439-T443 WeakPolarHBondContact O-CB 3.41Å; N439-T443 WeakPolarHBondContact O-CG2 3.46Å; N439-T443 PolarHBondContact O-N 3.01Å; N439-T443 PolarHBondContact O-OG1 3.21Å; V440-T443 PolarHBondContact O-OG1 3.14Å; I441-T443 VanDerWaalsContact C-N 3.28Å; I441-T443 PolarHBondContact O-N 2.88Å |
| 444 | S | 81.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -82.6 | -9.1 | -176.2 | 67 | 0 | 0 | 0 | 0 | 115.1 | Y391 V440 I441 V446 R447 | Y391-S444 WeakPolarHBondContact CE2-O 3.39Å; Y391-S444 PolarHBondContact OH-OG 2.7Å; V440-S444 WeakPolarHBondContact O-CB 3.37Å; V440-S444 PolarHBondContact O-N 2.88Å; V440-S444 PolarHBondContact O-OG 2.75Å; I441-S444 WeakPolarHBondContact O-CB 3.49Å; I441-S444 PolarHBondContact O-N 3.01Å; I441-S444 PolarHBondContact O-OG 3.29Å; S444-V446 PolarHBondContact O-N 3.07Å; S444-R447 WeakPolarHBondContact O-CB 3.39Å; S444-R447 PolarHBondContact O-N 2.94Å | ||
| 445 | G | 70.6 | Confident | 82.1 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -54.2 | -30.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R447 C448 | G445-R447 PolarHBondContact O-N 3.21Å; G445-C448 VanDerWaalsContact O-CB 3.23Å; G445-C448 WeakPolarHBondContact O-CB 3.29Å; G445-C448 PolarHBondContact O-N 3.3Å; G445-C448 VanDerWaalsContact O-N 3.13Å |
| 446 | V | 68.8 | Low | 82 | Confident | 116 Ų | 116 | 38.3 Ų | 38.3 | 70% | 0.703 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -64.4 | -19.3 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 114.2 | S444 L560 | S444-V446 PolarHBondContact O-N 3.07Å; V446-L560 HydrophobicContact CG1-CD1 4.48Å; V446-L560 HydrophobicContact CG1-CD2 3.87Å |
| 447 | R | 66.5 | Low | 81.6 | Confident | 123 Ų | 123 | 37 Ų | 37 | 46% | 0.464 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -98.1 | 3.7 | 178.4 | -67.4 | 174.5 | -73 | 177 | -2 | 112.7 | Y391 S444 G445 | Y391-R447 HydrophobicContact CD2-CB 4.07Å; Y391-R447 WeakPolarHBondContact CD2-O 3.49Å; Y391-R447 HydrophobicContact CE2-CB 4.13Å; S444-R447 WeakPolarHBondContact O-CB 3.39Å; S444-R447 PolarHBondContact O-N 2.94Å; G445-R447 PolarHBondContact O-N 3.21Å |
| 448 | C | 69.3 | Low | 81.2 | Confident | 12 Ų | 12 | 38 Ų | 38 | 8% | 0.081 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -66.9 | 133.5 | 179.9 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | Y391 G445 T450 C453 I561 | Y391-C448 HydrophobicContact CE2-CB 4.47Å; G445-C448 VanDerWaalsContact O-CB 3.23Å; G445-C448 WeakPolarHBondContact O-CB 3.29Å; G445-C448 PolarHBondContact O-N 3.3Å; G445-C448 VanDerWaalsContact O-N 3.13Å; C448-T450 PolarHBondContact O-N 3.04Å; C448-C453 VanDerWaalsContact SG-SG 3.62Å; C448-I561 HydrophobicContact CB-CB 4.34Å; C448-I561 HydrophobicContact CB-CG2 3.74Å |
| 449 | P | 73.9 | Confident | 81.1 | Confident | 29 Ų | 29 | 37.5 Ų | 37.5 | 19% | 0.188 | 21% | 0.207 | C | C | . | . | trans | -59.4 | 135.5 | -179.8 | -24.8 | 33.8 | 0 | 0 | 0 | 113.1 | A387 V451 M452 C453 | A387-P449 HydrophobicContact CB-CB 4.4Å; A387-P449 WeakPolarHBondContact O-CG 3.46Å; P449-V451 VanDerWaalsContact C-N 3.31Å; P449-V451 HydrophobicContact CB-CG1 4.43Å; P449-V451 PolarHBondContact O-N 2.84Å; P449-M452 HydrophobicContact CB-CG 4.36Å; P449-M452 HydrophobicContact CB-SD 4.18Å; P449-M452 HydrophobicContact CG-SD 3.8Å; P449-M452 WeakPolarHBondContact O-CA 3.34Å; P449-M452 WeakPolarHBondContact O-CB 3.34Å; P449-M452 PolarHBondContact O-N 3.39Å; P449-C453 PolarHBondContact O-N 2.88Å; P449-C453 VanDerWaalsContact O-N 3.07Å; P449-C453 PolarHBondContact O-SG 3.5Å | ||
| 450 | T | 70.5 | Confident | 80.9 | Confident | 74 Ų | 74 | 34.7 Ų | 34.7 | 45% | 0.454 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -55 | -41.8 | -175.7 | -43.5 | 0 | 0 | 0 | 0 | 113.4 | C448 M452 C453 D454 | C448-T450 PolarHBondContact O-N 3.04Å; T450-M452 VanDerWaalsContact C-N 3.26Å; T450-M452 PolarHBondContact O-N 3.23Å; T450-C453 WeakPolarHBondContact O-CA 3.24Å; T450-C453 WeakPolarHBondContact O-CB 3.27Å; T450-C453 PolarHBondContact O-N 2.91Å; T450-D454 PolarHBondContact O-N 3.19Å |
| 451 | V | 73.2 | Confident | 80.7 | Confident | 34 Ų | 34 | 36.6 Ų | 36.6 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -35.6 | 177.6 | 65 | 0 | 0 | 0 | 0 | 112.6 | I348 V349 T383 A387 P449 I455 | I348-V451 HydrophobicContact CG2-CG2 3.86Å; V349-V451 HydrophobicContact CG2-CG2 4.03Å; T383-V451 HydrophobicContact CG2-CG2 4.44Å; A387-V451 HydrophobicContact CB-CG1 3.51Å; P449-V451 VanDerWaalsContact C-N 3.31Å; P449-V451 HydrophobicContact CB-CG1 4.43Å; P449-V451 PolarHBondContact O-N 2.84Å; V451-I455 HydrophobicContact CG2-CD1 4.42Å; V451-I455 WeakPolarHBondContact O-CD1 3.29Å; V451-I455 VanDerWaalsContact O-CG1 3.29Å; V451-I455 WeakPolarHBondContact O-CG1 3.31Å; V451-I455 PolarHBondContact O-N 3.08Å |
| 452 | M | 80.8 | Confident | 80.4 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.3 | -40.8 | 174.2 | -68.3 | 172.1 | 54.5 | 0 | 0 | 110.1 | M384 A387 P449 T450 D454 I455 F456 I482 F486 | M384-M452 HydrophobicContact CB-CE 4.33Å; M384-M452 HydrophobicContact CG-CE 3.98Å; M384-M452 HydrophobicContact CG-CG 4.44Å; M384-M452 HydrophobicContact CG-SD 4.49Å; M384-M452 HydrophobicContact SD-CE 4.4Å; A387-M452 HydrophobicContact CB-CG 4.35Å; A387-M452 HydrophobicContact CB-SD 4.42Å; P449-M452 HydrophobicContact CB-CG 4.36Å; P449-M452 HydrophobicContact CB-SD 4.18Å; P449-M452 HydrophobicContact CG-SD 3.8Å; P449-M452 WeakPolarHBondContact O-CA 3.34Å; P449-M452 WeakPolarHBondContact O-CB 3.34Å; P449-M452 PolarHBondContact O-N 3.39Å; T450-M452 VanDerWaalsContact C-N 3.26Å; T450-M452 PolarHBondContact O-N 3.23Å; M452-D454 PolarHBondContact O-N 3.12Å; M452-I455 PolarHBondContact O-N 3.33Å; M452-F456 HydrophobicContact CB-CD2 4.36Å; M452-F456 HydrophobicContact CB-CE2 3.88Å; M452-F456 HydrophobicContact CB-CZ 4.33Å; M452-F456 HydrophobicContact CE-CE2 3.94Å; M452-F456 HydrophobicContact CE-CZ 3.96Å; M452-F456 WeakPolarHBondContact O-CB 3.3Å; M452-F456 WeakPolarHBondContact O-CD2 3.3Å; M452-F456 WeakPolarHBondContact O-CG 3.07Å; M452-F456 PolarHBondContact O-N 3.21Å; M452-I482 HydrophobicContact CE-CD1 3.81Å; M452-F486 HydrophobicContact CE-CE1 4.37Å |
| 453 | C | 77.7 | Confident | 80.4 | Confident | 15 Ų | 15 | 36.2 Ų | 36.2 | 10% | 0.101 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 178.5 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | C448 P449 T450 F456 F457 I561 | C448-C453 VanDerWaalsContact SG-SG 3.62Å; P449-C453 PolarHBondContact O-N 2.88Å; P449-C453 VanDerWaalsContact O-N 3.07Å; P449-C453 PolarHBondContact O-SG 3.5Å; T450-C453 WeakPolarHBondContact O-CA 3.24Å; T450-C453 WeakPolarHBondContact O-CB 3.27Å; T450-C453 PolarHBondContact O-N 2.91Å; C453-F456 PolarHBondContact O-N 3.48Å; C453-F457 WeakPolarHBondContact O-CB 3.33Å; C453-F457 PolarHBondContact O-N 2.88Å; C453-I561 WeakPolarHBondContact CA-O 3.42Å; C453-I561 WeakPolarHBondContact CB-O 3.26Å |
| 454 | D | 78.4 | Confident | 80.6 | Confident | 43 Ų | 43 | 34 Ų | 34 | 23% | 0.23 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -39.2 | 177.7 | -68.8 | -33.7 | 0 | 0 | 0 | 111.9 | V349 T450 M452 S458 S564 | V349-D454 HydrophobicContact CG1-CB 3.98Å; V349-D454 HydrophobicContact CG2-CB 4.15Å; T450-D454 PolarHBondContact O-N 3.19Å; M452-D454 PolarHBondContact O-N 3.12Å; D454-S458 PolarHBondContact O-N 3.26Å; D454-S564 PolarHBondContact OD1-OG 3.27Å; D454-S564 VanDerWaalsContact OD1-OG 3.08Å |
| 455 | I | 86.8 | Confident | 80.9 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -49.8 | 172.8 | -69.4 | 165.5 | 0 | 0 | 0 | 110 | V349 I352 I380 T383 V451 M452 F457 S458 L459 | V349-I455 HydrophobicContact CG2-CG1 4.28Å; I352-I455 HydrophobicContact CD1-CD1 3.74Å; I352-I455 HydrophobicContact CG2-CD1 4.45Å; I352-I455 HydrophobicContact CG2-CG1 4.21Å; I352-I455 HydrophobicContact CG2-CG2 3.77Å; I380-I455 HydrophobicContact CG1-CG2 4.35Å; T383-I455 HydrophobicContact CG2-CD1 3.73Å; V451-I455 HydrophobicContact CG2-CD1 4.42Å; V451-I455 WeakPolarHBondContact O-CD1 3.29Å; V451-I455 VanDerWaalsContact O-CG1 3.29Å; V451-I455 WeakPolarHBondContact O-CG1 3.31Å; V451-I455 PolarHBondContact O-N 3.08Å; M452-I455 PolarHBondContact O-N 3.33Å; I455-F457 VanDerWaalsContact C-N 3.32Å; I455-F457 PolarHBondContact O-N 3.16Å; I455-S458 WeakPolarHBondContact O-CB 3.43Å; I455-S458 PolarHBondContact O-N 2.99Å; I455-S458 VanDerWaalsContact O-N 3.11Å; I455-L459 HydrophobicContact CG2-CD1 4.16Å; I455-L459 HydrophobicContact CG2-CG 4.29Å; I455-L459 WeakPolarHBondContact O-CG 3.48Å; I455-L459 PolarHBondContact O-N 2.81Å |
| 456 | F | 89.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -37.5 | -179.5 | -63.9 | -31.5 | 0 | 0 | 0 | 112.7 | M384 M452 C453 L459 R460 V478 F481 I482 I561 | M384-F456 HydrophobicContact CG-CZ 4.35Å; M384-F456 HydrophobicContact SD-CE1 4.05Å; M384-F456 HydrophobicContact SD-CZ 3.75Å; M452-F456 HydrophobicContact CB-CD2 4.36Å; M452-F456 HydrophobicContact CB-CE2 3.88Å; M452-F456 HydrophobicContact CB-CZ 4.33Å; M452-F456 HydrophobicContact CE-CE2 3.94Å; M452-F456 HydrophobicContact CE-CZ 3.96Å; M452-F456 WeakPolarHBondContact O-CB 3.3Å; M452-F456 WeakPolarHBondContact O-CD2 3.3Å; M452-F456 WeakPolarHBondContact O-CG 3.07Å; M452-F456 PolarHBondContact O-N 3.21Å; C453-F456 PolarHBondContact O-N 3.48Å; F456-L459 HydrophobicContact CD1-CD1 4.23Å; F456-L459 PolarHBondContact O-N 3.4Å; F456-R460 WeakPolarHBondContact O-CB 3.49Å; F456-R460 PolarHBondContact O-N 2.91Å; F456-V478 HydrophobicContact CB-CG1 3.84Å; F456-V478 HydrophobicContact CB-CG2 4.25Å; F456-V478 HydrophobicContact CD1-CG1 3.91Å; F456-V478 HydrophobicContact CD2-CG1 4.25Å; F456-V478 HydrophobicContact CG-CG1 3.75Å; F456-F481 HydrophobicContact CE1-CB 4.07Å; F456-I482 HydrophobicContact CE2-CB 4.45Å; F456-I482 HydrophobicContact CE2-CD1 3.95Å; F456-I482 HydrophobicContact CE2-CG1 4.47Å; F456-I482 HydrophobicContact CZ-CB 4.14Å; F456-I482 HydrophobicContact CZ-CD1 3.93Å; F456-I482 HydrophobicContact CZ-CG1 4.49Å; F456-I561 HydrophobicContact CD2-CB 4.37Å; F456-I561 HydrophobicContact CD2-CD1 3.84Å; F456-I561 HydrophobicContact CD2-CG1 4.09Å; F456-I561 HydrophobicContact CE2-CD1 3.96Å |
| 457 | F | 85.6 | Confident | 82.4 | Confident | 71 Ų | 71 | 37.6 Ų | 37.6 | 31% | 0.311 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.8 | -51.2 | 170.3 | 174 | -104.8 | 0 | 0 | 0 | 110.5 | C453 I455 L459 R460 E461 S562 | C453-F457 WeakPolarHBondContact O-CB 3.33Å; C453-F457 PolarHBondContact O-N 2.88Å; I455-F457 VanDerWaalsContact C-N 3.32Å; I455-F457 PolarHBondContact O-N 3.16Å; F457-L459 VanDerWaalsContact C-N 3.33Å; F457-L459 PolarHBondContact O-N 3.14Å; F457-R460 PolarHBondContact O-N 3.12Å; F457-E461 HydrophobicContact CD1-CG 4.42Å; F457-E461 HydrophobicContact CD2-CG 4.13Å; F457-E461 HydrophobicContact CE1-CG 4.04Å; F457-E461 HydrophobicContact CE2-CG 3.75Å; F457-E461 HydrophobicContact CG-CG 4.47Å; F457-E461 HydrophobicContact CZ-CG 3.69Å; F457-E461 WeakPolarHBondContact O-CG 3.44Å; F457-E461 PolarHBondContact O-N 3Å; F457-S562 WeakPolarHBondContact CB-O 3.28Å; F457-S562 VanDerWaalsContact CD2-O 3.24Å; F457-S562 WeakPolarHBondContact CD2-O 3.49Å |
| 458 | S | 88 | Confident | 82.9 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.4 | -38.7 | 178.8 | -175.8 | 0 | 0 | 0 | 0 | 113.7 | S353 D454 I455 S462 | S353-S458 WeakPolarHBondContact CB-OG 3.16Å; S353-S458 WeakPolarHBondContact OG-CB 3.13Å; S353-S458 PolarHBondContact OG-OG 2.67Å; D454-S458 PolarHBondContact O-N 3.26Å; I455-S458 WeakPolarHBondContact O-CB 3.43Å; I455-S458 PolarHBondContact O-N 2.99Å; I455-S458 VanDerWaalsContact O-N 3.11Å; S458-S462 WeakPolarHBondContact O-CB 3.47Å; S458-S462 PolarHBondContact O-N 2.75Å; S458-S462 VanDerWaalsContact O-N 3.08Å; S458-S462 PolarHBondContact O-OG 2.99Å |
| 459 | L | 91.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -45.3 | 176.2 | -66.8 | -179.9 | 0 | 0 | 0 | 111.2 | A356 F370 I380 I455 F456 F457 S462 A463 F481 | A356-L459 HydrophobicContact CB-CD2 3.4Å; F370-L459 HydrophobicContact CE2-CD2 3.89Å; F370-L459 HydrophobicContact CZ-CD2 3.73Å; I380-L459 HydrophobicContact CD1-CD1 4.14Å; I380-L459 HydrophobicContact CD1-CD2 4.2Å; I455-L459 HydrophobicContact CG2-CD1 4.16Å; I455-L459 HydrophobicContact CG2-CG 4.29Å; I455-L459 WeakPolarHBondContact O-CG 3.48Å; I455-L459 PolarHBondContact O-N 2.81Å; F456-L459 HydrophobicContact CD1-CD1 4.23Å; F456-L459 PolarHBondContact O-N 3.4Å; F457-L459 VanDerWaalsContact C-N 3.33Å; F457-L459 PolarHBondContact O-N 3.14Å; L459-S462 PolarHBondContact O-N 3.23Å; L459-A463 VanDerWaalsContact O-CB 3.3Å; L459-A463 WeakPolarHBondContact O-CB 3.35Å; L459-A463 PolarHBondContact O-N 3.23Å; L459-F481 HydrophobicContact CD1-CD2 3.68Å; L459-F481 HydrophobicContact CD1-CE2 3.78Å |
| 460 | R | 88.7 | Confident | 83.3 | Confident | 34 Ų | 34 | 48 Ų | 48 | 13% | 0.128 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 179.3 | -172.6 | -174.8 | 71.2 | -172.6 | 2.9 | 111.2 | F456 F457 A463 A464 R474 V478 D559 S562 | F456-R460 WeakPolarHBondContact O-CB 3.49Å; F456-R460 PolarHBondContact O-N 2.91Å; F457-R460 PolarHBondContact O-N 3.12Å; R460-A463 PolarHBondContact O-N 3.26Å; R460-A464 VanDerWaalsContact O-CB 3.3Å; R460-A464 WeakPolarHBondContact O-CB 3.43Å; R460-A464 PolarHBondContact O-N 3.21Å; R460-R474 HydrophobicContact CG-CB 3.8Å; R460-R474 HydrophobicContact CG-CG 4.17Å; R460-V478 HydrophobicContact CB-CG2 4.07Å; R460-D559 IonicContact NH1-OD1 3.06Å; R460-S562 WeakPolarHBondContact CD-OG 3.48Å; R460-S562 PolarHBondContact NH1-O 3.23Å; R460-S562 VanDerWaalsContact NH1-O 3.1Å; R460-S562 PolarHBondContact NH1-OG 2.88Å; R460-S562 PolarHBondContact NH2-O 3.37Å |
| 461 | E | 88.1 | Confident | 83.4 | Confident | 84 Ų | 84 | 51 Ų | 51 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61 | -48.8 | 178.7 | -68.1 | -60.1 | 114.9 | 0 | 0 | 111 | F457 A463 A464 T465 | F457-E461 HydrophobicContact CD1-CG 4.42Å; F457-E461 HydrophobicContact CD2-CG 4.13Å; F457-E461 HydrophobicContact CE1-CG 4.04Å; F457-E461 HydrophobicContact CE2-CG 3.75Å; F457-E461 HydrophobicContact CG-CG 4.47Å; F457-E461 HydrophobicContact CZ-CG 3.69Å; F457-E461 WeakPolarHBondContact O-CG 3.44Å; F457-E461 PolarHBondContact O-N 3Å; E461-A463 VanDerWaalsContact C-N 3.34Å; E461-A463 PolarHBondContact O-N 3.26Å; E461-A464 PolarHBondContact O-N 2.99Å; E461-T465 PolarHBondContact O-N 3.32Å; E461-T465 PolarHBondContact O-OG1 3.11Å |
| 462 | S | 88.2 | Confident | 83.7 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 8% | 0.077 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 179.6 | -63 | 0 | 0 | 0 | 0 | 112.5 | H357 S458 L459 R466 | H357-S462 PolarHBondContact ND1-OG 3.5Å; S458-S462 WeakPolarHBondContact O-CB 3.47Å; S458-S462 PolarHBondContact O-N 2.75Å; S458-S462 VanDerWaalsContact O-N 3.08Å; S458-S462 PolarHBondContact O-OG 2.99Å; L459-S462 PolarHBondContact O-N 3.23Å; S462-R466 PolarHBondContact O-N 3.12Å |
| 463 | A | 88.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I369 L459 R460 E461 R466 F467 V473 A477 | I369-A463 HydrophobicContact CD1-CB 4.24Å; L459-A463 VanDerWaalsContact O-CB 3.3Å; L459-A463 WeakPolarHBondContact O-CB 3.35Å; L459-A463 PolarHBondContact O-N 3.23Å; R460-A463 PolarHBondContact O-N 3.26Å; E461-A463 VanDerWaalsContact C-N 3.34Å; E461-A463 PolarHBondContact O-N 3.26Å; A463-R466 PolarHBondContact O-N 3.26Å; A463-F467 PolarHBondContact O-N 3.09Å; A463-V473 HydrophobicContact CB-CG1 4.41Å; A463-A477 HydrophobicContact CB-CB 3.86Å |
| 464 | A | 87 | Confident | 84 | Confident | 38 Ų | 38 | 54.5 Ų | 54.5 | 31% | 0.314 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R460 E461 Q468 R474 | R460-A464 VanDerWaalsContact O-CB 3.3Å; R460-A464 WeakPolarHBondContact O-CB 3.43Å; R460-A464 PolarHBondContact O-N 3.21Å; E461-A464 PolarHBondContact O-N 2.99Å; A464-Q468 WeakPolarHBondContact O-CG 3.16Å; A464-R474 HydrophobicContact CB-CB 4.28Å |
| 465 | T | 86.5 | Confident | 84.3 | Confident | 89 Ų | 89 | 53.1 Ų | 53.1 | 55% | 0.546 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 177.2 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | E461 Q468 | E461-T465 PolarHBondContact O-N 3.32Å; E461-T465 PolarHBondContact O-OG1 3.11Å; T465-Q468 WeakPolarHBondContact O-CG 3.43Å; T465-Q468 PolarHBondContact O-NE2 3.25Å |
| 466 | R | 85.9 | Confident | 84.3 | Confident | 86 Ų | 86 | 54.7 Ų | 54.7 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -78.3 | -34.2 | -176.8 | 177.6 | 60.9 | -178.3 | 79.3 | 3.8 | 113.8 | I360 T363 S462 A463 | I360-R466 HydrophobicContact CG2-CB 3.8Å; I360-R466 HydrophobicContact CG2-CG 3.98Å; T363-R466 PolarHBondContact O-NH2 3.47Å; S462-R466 PolarHBondContact O-N 3.12Å; A463-R466 PolarHBondContact O-N 3.26Å |
| 467 | F | 85.1 | Confident | 84.2 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 8% | 0.083 | 28% | 0.277 | C | S | . | . | trans | -120.9 | 59 | -174.1 | -60.6 | -72 | 0 | 0 | 0 | 111.8 | I360 T363 P366 I369 A463 V469 D470 V473 | I360-F467 HydrophobicContact CG2-CE2 4.16Å; T363-F467 HydrophobicContact CG2-CZ 4.48Å; P366-F467 HydrophobicContact CB-CD1 4.4Å; P366-F467 HydrophobicContact CB-CE1 4.43Å; P366-F467 HydrophobicContact CG-CD1 3.7Å; P366-F467 HydrophobicContact CG-CE1 3.75Å; P366-F467 HydrophobicContact CG-CG 4.3Å; P366-F467 HydrophobicContact CG-CZ 4.39Å; I369-F467 HydrophobicContact CD1-CE2 4.42Å; A463-F467 PolarHBondContact O-N 3.09Å; F467-V469 PolarHBondContact O-N 2.88Å; F467-V469 VanDerWaalsContact O-N 3.07Å; F467-D470 PolarHBondContact O-N 3.43Å; F467-V473 HydrophobicContact CB-CB 4.29Å; F467-V473 HydrophobicContact CB-CG1 4.11Å; F467-V473 HydrophobicContact CB-CG2 4.37Å; F467-V473 HydrophobicContact CD2-CG1 3.79Å; F467-V473 HydrophobicContact CG-CG1 4.17Å | ||
| 468 | Q | 78.8 | Confident | 84.5 | Confident | 158 Ų | 158 | 51.3 Ų | 51.3 | 74% | 0.738 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.4 | -175.8 | -63 | 172.5 | 28.9 | 0 | 0 | 114.2 | A464 T465 | A464-Q468 WeakPolarHBondContact O-CG 3.16Å; T465-Q468 WeakPolarHBondContact O-CG 3.43Å; T465-Q468 PolarHBondContact O-NE2 3.25Å |
| 469 | V | 74.3 | Confident | 84.6 | Confident | 150 Ų | 150 | 50.4 Ų | 50.4 | 91% | 0.909 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -32.7 | -176.9 | -177.3 | 0 | 0 | 0 | 0 | 112.5 | F467 | F467-V469 PolarHBondContact O-N 2.88Å; F467-V469 VanDerWaalsContact O-N 3.07Å |
| 470 | D | 76.3 | Confident | 84.4 | Confident | 74 Ų | 74 | 50.9 Ų | 50.9 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | trans | -115.1 | 98 | -177.3 | -172.8 | -9.5 | 0 | 0 | 0 | 110.6 | F467 D472 V473 | F467-D470 PolarHBondContact O-N 3.43Å; D470-D472 PolarHBondContact O-N 2.77Å; D470-D472 PolarHBondContact OD1-N 2.97Å; D470-V473 HydrophobicContact CB-CG2 3.6Å; D470-V473 WeakPolarHBondContact O-CB 3.14Å; D470-V473 WeakPolarHBondContact O-CG2 3.39Å; D470-V473 PolarHBondContact O-N 2.99Å | ||
| 471 | Q | 73.3 | Confident | 84.6 | Confident | 139 Ų | 139 | 49.3 Ų | 49.3 | 65% | 0.65 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.4 | -177.9 | -66.3 | -172.5 | -3.7 | 0 | 0 | 113.5 | V473 R474 | Q471-V473 VanDerWaalsContact C-N 3.31Å; Q471-R474 WeakPolarHBondContact O-CD 3.38Å; Q471-R474 VanDerWaalsContact O-CG 3.3Å; Q471-R474 WeakPolarHBondContact O-CG 3.36Å; Q471-R474 PolarHBondContact O-NE 3.37Å |
| 472 | D | 79.6 | Confident | 84.8 | Confident | 35 Ų | 35 | 45.3 Ų | 45.3 | 19% | 0.187 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -15.3 | 179.4 | -71.4 | -39.6 | 0 | 0 | 0 | 112 | D470 R474 Y475 T476 K527 K555 | D470-D472 PolarHBondContact O-N 2.77Å; D470-D472 PolarHBondContact OD1-N 2.97Å; D472-R474 VanDerWaalsContact C-N 3.31Å; D472-R474 PolarHBondContact O-N 3.38Å; D472-Y475 PolarHBondContact O-N 2.9Å; D472-T476 PolarHBondContact O-N 2.93Å; D472-T476 PolarHBondContact O-OG1 3.43Å; D472-K527 VanDerWaalsContact OD2-CE 3.25Å; D472-K527 WeakPolarHBondContact OD2-CE 3.35Å; D472-K527 IonicContact OD2-NZ 2.78Å; D472-K527 PolarHBondContact OD2-NZ 2.91Å; D472-K555 IonicContact OD1-NZ 3.82Å; D472-K555 PolarHBondContact OD1-NZ 3.24Å |
| 473 | V | 82.3 | Confident | 85 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -34.8 | 179.6 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | P366 A463 F467 D470 Q471 Y475 T476 A477 | P366-V473 HydrophobicContact CB-CG1 4.15Å; P366-V473 HydrophobicContact CB-CG2 3.63Å; P366-V473 HydrophobicContact CG-CG2 4.36Å; A463-V473 HydrophobicContact CB-CG1 4.41Å; F467-V473 HydrophobicContact CB-CB 4.29Å; F467-V473 HydrophobicContact CB-CG1 4.11Å; F467-V473 HydrophobicContact CB-CG2 4.37Å; F467-V473 HydrophobicContact CD2-CG1 3.79Å; F467-V473 HydrophobicContact CG-CG1 4.17Å; D470-V473 HydrophobicContact CB-CG2 3.6Å; D470-V473 WeakPolarHBondContact O-CB 3.14Å; D470-V473 WeakPolarHBondContact O-CG2 3.39Å; D470-V473 PolarHBondContact O-N 2.99Å; Q471-V473 VanDerWaalsContact C-N 3.31Å; V473-Y475 PolarHBondContact O-N 3.47Å; V473-T476 PolarHBondContact O-N 3.17Å; V473-T476 VanDerWaalsContact O-N 3.15Å; V473-A477 PolarHBondContact O-N 2.91Å |
| 474 | R | 82.3 | Confident | 85 | Confident | 83 Ų | 83 | 47.2 Ų | 47.2 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.3 | -34.6 | 177.5 | 81.3 | -167.2 | 176.7 | -176.8 | -2.5 | 112.3 | R460 A464 Q471 D472 | R460-R474 HydrophobicContact CG-CB 3.8Å; R460-R474 HydrophobicContact CG-CG 4.17Å; A464-R474 HydrophobicContact CB-CB 4.28Å; Q471-R474 WeakPolarHBondContact O-CD 3.38Å; Q471-R474 VanDerWaalsContact O-CG 3.3Å; Q471-R474 WeakPolarHBondContact O-CG 3.36Å; Q471-R474 PolarHBondContact O-NE 3.37Å; D472-R474 VanDerWaalsContact C-N 3.31Å; D472-R474 PolarHBondContact O-N 3.38Å |
| 475 | Y | 85 | Confident | 85.2 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 6% | 0.059 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -79.3 | -39.6 | 175.7 | -64 | -69.4 | 0 | 0 | 0 | 111.3 | D472 V473 A477 V478 S479 L525 K555 L558 D559 | D472-Y475 PolarHBondContact O-N 2.9Å; V473-Y475 PolarHBondContact O-N 3.47Å; Y475-A477 VanDerWaalsContact C-N 3.32Å; Y475-A477 PolarHBondContact O-N 3.1Å; Y475-V478 PolarHBondContact O-N 3.32Å; Y475-S479 VanDerWaalsContact O-CB 3.23Å; Y475-S479 WeakPolarHBondContact O-CB 3.49Å; Y475-S479 PolarHBondContact O-N 2.96Å; Y475-L525 HydrophobicContact CG-CD1 4.27Å; Y475-K555 HydrophobicContact CD1-CG 4.36Å; Y475-K555 HydrophobicContact CD2-CG 4.38Å; Y475-K555 HydrophobicContact CE1-CB 4.18Å; Y475-K555 HydrophobicContact CE1-CG 4.31Å; Y475-K555 HydrophobicContact CE2-CD 4.34Å; Y475-K555 HydrophobicContact CE2-CG 4.35Å; Y475-K555 HydrophobicContact CG-CG 4.39Å; Y475-L558 HydrophobicContact CD1-CB 3.89Å; Y475-L558 HydrophobicContact CD1-CD1 4.02Å; Y475-L558 HydrophobicContact CE1-CB 4.46Å; Y475-L558 HydrophobicContact CG-CD1 4.42Å; Y475-D559 VanDerWaalsContact CE1-CG 3.49Å; Y475-D559 WeakPolarHBondContact CE1-OD1 3.49Å; Y475-D559 WeakPolarHBondContact CE1-OD2 3.39Å; Y475-D559 PolarHBondContact OH-OD1 3.36Å; Y475-D559 PolarHBondContact OH-OD2 3.42Å |
| 476 | T | 85.9 | Confident | 85.5 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 22% | 0.221 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | -179.8 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | D472 V473 V478 S479 S480 | D472-T476 PolarHBondContact O-N 2.93Å; D472-T476 PolarHBondContact O-OG1 3.43Å; V473-T476 PolarHBondContact O-N 3.17Å; V473-T476 VanDerWaalsContact O-N 3.15Å; T476-V478 PolarHBondContact O-N 2.97Å; T476-S479 PolarHBondContact O-N 3.29Å; T476-S480 WeakPolarHBondContact O-CB 3.42Å; T476-S480 PolarHBondContact O-N 2.96Å; T476-S480 PolarHBondContact O-OG 3.26Å |
| 477 | A | 88.1 | Confident | 86 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I369 F370 A463 V473 Y475 S480 F481 | I369-A477 HydrophobicContact CD1-CB 3.98Å; F370-A477 HydrophobicContact CE2-CB 4.49Å; A463-A477 HydrophobicContact CB-CB 3.86Å; V473-A477 PolarHBondContact O-N 2.91Å; Y475-A477 VanDerWaalsContact C-N 3.32Å; Y475-A477 PolarHBondContact O-N 3.1Å; A477-S480 PolarHBondContact O-OG 2.74Å; A477-F481 WeakPolarHBondContact O-CD2 3.47Å |
| 478 | V | 91 | Very high | 86.3 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -79.2 | -42.3 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | F456 R460 Y475 T476 S480 F481 I482 L558 I561 | F456-V478 HydrophobicContact CB-CG1 3.84Å; F456-V478 HydrophobicContact CB-CG2 4.25Å; F456-V478 HydrophobicContact CD1-CG1 3.91Å; F456-V478 HydrophobicContact CD2-CG1 4.25Å; F456-V478 HydrophobicContact CG-CG1 3.75Å; R460-V478 HydrophobicContact CB-CG2 4.07Å; Y475-V478 PolarHBondContact O-N 3.32Å; T476-V478 PolarHBondContact O-N 2.97Å; V478-S480 VanDerWaalsContact C-N 3.3Å; V478-S480 PolarHBondContact O-N 2.87Å; V478-F481 PolarHBondContact O-N 3.18Å; V478-F481 VanDerWaalsContact O-N 3.08Å; V478-I482 PolarHBondContact O-N 2.83Å; V478-I482 VanDerWaalsContact O-N 3.1Å; V478-L558 HydrophobicContact CB-CD2 4.27Å; V478-L558 HydrophobicContact CG1-CD2 3.86Å; V478-I561 HydrophobicContact CG1-CD1 4.12Å; V478-I561 HydrophobicContact CG1-CG1 4.48Å |
| 479 | S | 90 | Very high | 87 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60 | -37.8 | 179.9 | -178.7 | 0 | 0 | 0 | 0 | 113.1 | Y475 T476 F481 I482 F483 L484 G523 | Y475-S479 VanDerWaalsContact O-CB 3.23Å; Y475-S479 WeakPolarHBondContact O-CB 3.49Å; Y475-S479 PolarHBondContact O-N 2.96Å; T476-S479 PolarHBondContact O-N 3.29Å; S479-F481 PolarHBondContact O-N 2.75Å; S479-I482 PolarHBondContact O-N 3.13Å; S479-F483 PolarHBondContact O-N 3.34Å; S479-L484 PolarHBondContact O-N 2.88Å; S479-G523 WeakPolarHBondContact CB-O 3.24Å; S479-G523 PolarHBondContact OG-O 3.16Å |
| 480 | S | 88.3 | Confident | 87.9 | Confident | 11 Ų | 11 | 25.7 Ų | 25.7 | 8% | 0.077 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.6 | -16.5 | 176.9 | 59.3 | 0 | 0 | 0 | 0 | 114 | T476 A477 V478 L484 R485 | T476-S480 WeakPolarHBondContact O-CB 3.42Å; T476-S480 PolarHBondContact O-N 2.96Å; T476-S480 PolarHBondContact O-OG 3.26Å; A477-S480 PolarHBondContact O-OG 2.74Å; V478-S480 VanDerWaalsContact C-N 3.3Å; V478-S480 PolarHBondContact O-N 2.87Å; S480-L484 WeakPolarHBondContact O-CB 3.26Å; S480-R485 VanDerWaalsContact O-CD 3.26Å; S480-R485 WeakPolarHBondContact O-CD 3.5Å; S480-R485 WeakPolarHBondContact O-CG 3.25Å |
| 481 | F | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -99.7 | -59.6 | 171.8 | -71.9 | -71.6 | 0 | 0 | 0 | 111.5 | F370 I380 M384 F456 L459 A477 V478 S479 F483 R485 F486 | F370-F481 HydrophobicContact CB-CE2 3.74Å; F370-F481 HydrophobicContact CB-CZ 3.64Å; F370-F481 HydrophobicContact CD1-CE2 4.06Å; F370-F481 AromaticContact CD1-CZ 3.86Å; F370-F481 HydrophobicContact CD1-CZ 3.86Å; F370-F481 HydrophobicContact CD2-CD2 4.45Å; F370-F481 AromaticContact CD2-CE2 3.47Å; F370-F481 HydrophobicContact CD2-CE2 3.47Å; F370-F481 VanDerWaalsContact CD2-CE2 3.47Å; F370-F481 HydrophobicContact CD2-CZ 4.09Å; F370-F481 HydrophobicContact CE2-CE2 4.06Å; F370-F481 AromaticContact CG-CE2 3.48Å; F370-F481 HydrophobicContact CG-CE2 3.48Å; F370-F481 VanDerWaalsContact CG-CE2 3.48Å; F370-F481 AromaticContact CG-CZ 3.59Å; F370-F481 HydrophobicContact CG-CZ 3.59Å; I380-F481 HydrophobicContact CB-CD1 3.97Å; I380-F481 HydrophobicContact CB-CE1 3.73Å; I380-F481 HydrophobicContact CB-CZ 4.2Å; I380-F481 HydrophobicContact CD1-CD2 4.42Å; I380-F481 HydrophobicContact CD1-CE1 3.89Å; I380-F481 HydrophobicContact CD1-CE2 3.71Å; I380-F481 HydrophobicContact CD1-CZ 3.41Å; I380-F481 VanDerWaalsContact CD1-CZ 3.41Å; I380-F481 HydrophobicContact CG1-CE1 4.42Å; I380-F481 HydrophobicContact CG1-CZ 4.4Å; I380-F481 HydrophobicContact CG2-CB 4.31Å; I380-F481 HydrophobicContact CG2-CD1 3.44Å; I380-F481 VanDerWaalsContact CG2-CD1 3.44Å; I380-F481 HydrophobicContact CG2-CD2 4.3Å; I380-F481 HydrophobicContact CG2-CE1 3.74Å; I380-F481 HydrophobicContact CG2-CG 3.76Å; I380-F481 HydrophobicContact CG2-CZ 4.27Å; M384-F481 HydrophobicContact CE-CB 3.88Å; M384-F481 HydrophobicContact CE-CD1 4.05Å; M384-F481 HydrophobicContact CE-CG 4.44Å; M384-F481 HydrophobicContact SD-CB 3.96Å; F456-F481 HydrophobicContact CE1-CB 4.07Å; L459-F481 HydrophobicContact CD1-CD2 3.68Å; L459-F481 HydrophobicContact CD1-CE2 3.78Å; A477-F481 WeakPolarHBondContact O-CD2 3.47Å; V478-F481 PolarHBondContact O-N 3.18Å; V478-F481 VanDerWaalsContact O-N 3.08Å; S479-F481 PolarHBondContact O-N 2.75Å; F481-F483 PolarHBondContact O-N 3.38Å; F481-R485 VanDerWaalsContact CD1-CD 3.49Å; F481-R485 CarbonylContact O-C 3.59Å; F481-R485 WeakPolarHBondContact O-CA 3.43Å; F481-R485 WeakPolarHBondContact O-CB 3.33Å; F481-R485 PolarHBondContact O-N 2.78Å; F481-F486 PolarHBondContact O-N 3.4Å; F481-F486 VanDerWaalsContact O-N 3.08Å |
| 482 | I | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -67.3 | -37.5 | -169 | -165 | 65.4 | 0 | 0 | 0 | 113 | M452 F456 V478 S479 F486 F487 F557 L558 I561 | M452-I482 HydrophobicContact CE-CD1 3.81Å; F456-I482 HydrophobicContact CE2-CB 4.45Å; F456-I482 HydrophobicContact CE2-CD1 3.95Å; F456-I482 HydrophobicContact CE2-CG1 4.47Å; F456-I482 HydrophobicContact CZ-CB 4.14Å; F456-I482 HydrophobicContact CZ-CD1 3.93Å; F456-I482 HydrophobicContact CZ-CG1 4.49Å; V478-I482 PolarHBondContact O-N 2.83Å; V478-I482 VanDerWaalsContact O-N 3.1Å; S479-I482 PolarHBondContact O-N 3.13Å; I482-F486 HydrophobicContact CD1-CD1 3.72Å; I482-F486 HydrophobicContact CD1-CE1 4.37Å; I482-F486 HydrophobicContact CD1-CG 4.44Å; I482-F486 WeakPolarHBondContact O-CB 3.29Å; I482-F487 HydrophobicContact CD1-CD2 4.36Å; I482-F487 HydrophobicContact CD1-CE2 3.94Å; I482-F487 HydrophobicContact CG1-CD2 3.89Å; I482-F487 HydrophobicContact CG1-CE2 3.6Å; I482-F487 WeakPolarHBondContact O-CD2 3.41Å; I482-F487 PolarHBondContact O-N 2.87Å; I482-F557 HydrophobicContact CG1-CE1 4.2Å; I482-F557 HydrophobicContact CG1-CZ 4.3Å; I482-F557 HydrophobicContact CG2-CE1 4.31Å; I482-L558 HydrophobicContact CG2-CD2 3.76Å; I482-I561 HydrophobicContact CB-CD1 4.24Å; I482-I561 HydrophobicContact CG1-CD1 3.95Å; I482-I561 HydrophobicContact CG2-CD1 4.09Å |
| 483 | F | 92.5 | Very high | 90 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -90.5 | -53.1 | 177.7 | -78.2 | -81.9 | 0 | 0 | 0 | 111.8 | I441 S479 F481 A488 I519 V554 F557 L558 | I441-F483 HydrophobicContact CG2-CE1 3.86Å; I441-F483 HydrophobicContact CG2-CZ 3.93Å; S479-F483 PolarHBondContact O-N 3.34Å; F481-F483 PolarHBondContact O-N 3.38Å; F483-A488 WeakPolarHBondContact O-CB 3.37Å; F483-A488 PolarHBondContact O-N 2.95Å; F483-I519 HydrophobicContact CD1-CG2 3.98Å; F483-I519 HydrophobicContact CE1-CG2 4.24Å; F483-V554 HydrophobicContact CE2-CG1 4.04Å; F483-V554 HydrophobicContact CZ-CG1 4.47Å; F483-V554 HydrophobicContact CZ-CG2 4.36Å; F483-F557 AromaticContact CE2-CD1 3.97Å; F483-F557 HydrophobicContact CE2-CD1 3.97Å; F483-F557 AromaticContact CE2-CE1 3.96Å; F483-F557 HydrophobicContact CE2-CE1 3.96Å; F483-F557 HydrophobicContact CZ-CD1 4.11Å; F483-F557 HydrophobicContact CZ-CE1 4.14Å; F483-L558 HydrophobicContact CE2-CD2 4.3Å |
| 484 | L | 88.9 | Confident | 90.2 | Very high | 51 Ų | 51 | 18.4 Ų | 18.4 | 27% | 0.267 | 9% | 0.094 | S | C | . | . | I | π-helix | trans | -72.3 | -34.7 | -172.5 | 171.3 | 69.2 | 0 | 0 | 0 | 113.5 | S479 S480 P489 Q520 | S479-L484 PolarHBondContact O-N 2.88Å; S480-L484 WeakPolarHBondContact O-CB 3.26Å; L484-P489 VanDerWaalsContact O-CD 3.27Å; L484-P489 WeakPolarHBondContact O-CD 3.33Å; L484-P489 WeakPolarHBondContact O-CG 3.48Å; L484-Q520 HydrophobicContact CD1-CG 4.05Å |
| 485 | R | 90.8 | Very high | 90 | Very high | 47 Ų | 47 | 16.6 Ų | 16.6 | 18% | 0.177 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -112.3 | -9.6 | -171.9 | -63.9 | 168.2 | 176.8 | -94 | 4.3 | 113.9 | F370 G372 D381 M384 S480 F481 | F370-R485 PolarHBondContact O-NH2 2.77Å; G372-R485 PolarHBondContact O-NH2 3.4Å; D381-R485 WeakPolarHBondContact OD1-CB 3.48Å; D381-R485 VanDerWaalsContact OD1-CD 3.27Å; D381-R485 WeakPolarHBondContact OD1-CD 3.47Å; D381-R485 IonicContact OD1-NH1 2.69Å; D381-R485 IonicContact OD2-NH1 2.79Å; D381-R485 PolarHBondContact OD2-NH1 2.88Å; M384-R485 HydrophobicContact CE-CB 4.16Å; S480-R485 VanDerWaalsContact O-CD 3.26Å; S480-R485 WeakPolarHBondContact O-CD 3.5Å; S480-R485 WeakPolarHBondContact O-CG 3.25Å; F481-R485 VanDerWaalsContact CD1-CD 3.49Å; F481-R485 CarbonylContact O-C 3.59Å; F481-R485 WeakPolarHBondContact O-CA 3.43Å; F481-R485 WeakPolarHBondContact O-CB 3.33Å; F481-R485 PolarHBondContact O-N 2.78Å |
| 486 | F | 92.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -121.3 | -70.1 | -178.8 | -170 | -112.7 | 0 | 0 | 0 | 113.1 | M384 G388 Y391 L392 M452 F481 I482 A490 | M384-F486 HydrophobicContact CB-CD2 3.91Å; M384-F486 HydrophobicContact CB-CE2 4.22Å; M384-F486 HydrophobicContact CE-CB 4.12Å; M384-F486 WeakPolarHBondContact O-CE2 3.24Å; M384-F486 HydrophobicContact SD-CB 4.07Å; M384-F486 HydrophobicContact SD-CG 4.43Å; G388-F486 WeakPolarHBondContact O-CZ 3.38Å; Y391-F486 AromaticContact CD1-CE1 3.99Å; Y391-F486 HydrophobicContact CD1-CE1 3.99Å; Y391-F486 HydrophobicContact CE1-CE1 4.39Å; L392-F486 HydrophobicContact CB-CE1 4.24Å; L392-F486 HydrophobicContact CB-CZ 3.86Å; L392-F486 HydrophobicContact CD1-CD1 3.96Å; L392-F486 HydrophobicContact CD1-CE1 3.57Å; L392-F486 HydrophobicContact CD1-CE2 4.2Å; L392-F486 HydrophobicContact CD1-CG 4.43Å; L392-F486 HydrophobicContact CD1-CZ 3.7Å; L392-F486 HydrophobicContact CG-CZ 4.35Å; M452-F486 HydrophobicContact CE-CE1 4.37Å; F481-F486 PolarHBondContact O-N 3.4Å; F481-F486 VanDerWaalsContact O-N 3.08Å; I482-F486 HydrophobicContact CD1-CD1 3.72Å; I482-F486 HydrophobicContact CD1-CE1 4.37Å; I482-F486 HydrophobicContact CD1-CG 4.44Å; I482-F486 WeakPolarHBondContact O-CB 3.29Å; F486-A490 VanDerWaalsContact O-CB 3.24Å; F486-A490 WeakPolarHBondContact O-CB 2.96Å; F486-A490 PolarHBondContact O-N 2.74Å |
| 487 | F | 95 | Very high | 89.3 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -68.7 | -49.2 | -176.4 | -72.6 | -55.9 | 0 | 0 | 0 | 114.2 | Y391 L392 T395 L396 I441 I482 A490 I491 F557 | Y391-F487 HydrophobicContact CD1-CZ 4.41Å; Y391-F487 HydrophobicContact CE1-CE1 4.1Å; Y391-F487 HydrophobicContact CE1-CE2 4.37Å; Y391-F487 AromaticContact CE1-CZ 3.47Å; Y391-F487 HydrophobicContact CE1-CZ 3.47Å; Y391-F487 VanDerWaalsContact CE1-CZ 3.47Å; Y391-F487 AromaticContact CZ-CZ 3.85Å; L392-F487 HydrophobicContact CD1-CD1 3.87Å; L392-F487 HydrophobicContact CD1-CE1 4.24Å; T395-F487 HydrophobicContact CG2-CE1 4.28Å; L396-F487 HydrophobicContact CD1-CD1 3.91Å; L396-F487 HydrophobicContact CG-CD1 4.31Å; I441-F487 HydrophobicContact CD1-CB 4.25Å; I441-F487 HydrophobicContact CD1-CD1 4.34Å; I441-F487 HydrophobicContact CD1-CD2 4.44Å; I441-F487 HydrophobicContact CD1-CG 4.13Å; I441-F487 HydrophobicContact CG1-CD1 4.31Å; I441-F487 HydrophobicContact CG1-CE1 4.31Å; I441-F487 HydrophobicContact CG1-CG 4.43Å; I441-F487 HydrophobicContact CG1-CZ 4.42Å; I441-F487 HydrophobicContact CG2-CD2 3.89Å; I441-F487 HydrophobicContact CG2-CE2 3.6Å; I441-F487 HydrophobicContact CG2-CZ 4.03Å; I482-F487 HydrophobicContact CD1-CD2 4.36Å; I482-F487 HydrophobicContact CD1-CE2 3.94Å; I482-F487 HydrophobicContact CG1-CD2 3.89Å; I482-F487 HydrophobicContact CG1-CE2 3.6Å; I482-F487 WeakPolarHBondContact O-CD2 3.41Å; I482-F487 PolarHBondContact O-N 2.87Å; F487-A490 WeakPolarHBondContact O-CB 3.04Å; F487-A490 PolarHBondContact O-N 2.86Å; F487-I491 VanDerWaalsContact O-CG1 3.32Å; F487-I491 WeakPolarHBondContact O-CG1 3.46Å; F487-I491 PolarHBondContact O-N 2.86Å; F487-F557 HydrophobicContact CE2-CE1 4.34Å; F487-F557 AromaticContact CE2-CZ 3.92Å; F487-F557 HydrophobicContact CE2-CZ 3.92Å; F487-F557 HydrophobicContact CZ-CZ 4.48Å |
| 488 | A | 93.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.4 | -47.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | F483 A490 I491 L492 S516 Q520 | F483-A488 WeakPolarHBondContact O-CB 3.37Å; F483-A488 PolarHBondContact O-N 2.95Å; A488-A490 VanDerWaalsContact C-N 3.26Å; A488-A490 PolarHBondContact O-N 2.69Å; A488-I491 PolarHBondContact O-N 3.07Å; A488-I491 VanDerWaalsContact O-N 3.12Å; A488-L492 WeakPolarHBondContact O-CB 3.5Å; A488-L492 PolarHBondContact O-N 3.36Å; A488-S516 PolarHBondContact O-OG 2.81Å; A488-Q520 HydrophobicContact CB-CB 3.92Å |
| 489 | P | 93.1 | Very high | 88.2 | Confident | 37 Ų | 37 | 26.7 Ų | 26.7 | 24% | 0.24 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.8 | -34.3 | 174.5 | -26.6 | 37.6 | 0 | 0 | 0 | 113.9 | L484 L492 S493 F497 | L484-P489 VanDerWaalsContact O-CD 3.27Å; L484-P489 WeakPolarHBondContact O-CD 3.33Å; L484-P489 WeakPolarHBondContact O-CG 3.48Å; P489-L492 PolarHBondContact O-N 3.37Å; P489-S493 PolarHBondContact O-N 3.1Å; P489-F497 HydrophobicContact CB-CE2 3.94Å; P489-F497 HydrophobicContact CB-CZ 3.96Å |
| 490 | A | 92.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.9 | -35.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L392 L396 F486 F487 A488 P494 F497 L499 | L392-A490 HydrophobicContact CD1-CB 3.57Å; L392-A490 HydrophobicContact CD2-CB 3.64Å; L392-A490 HydrophobicContact CG-CB 4.02Å; L396-A490 HydrophobicContact CD1-CB 4.14Å; F486-A490 VanDerWaalsContact O-CB 3.24Å; F486-A490 WeakPolarHBondContact O-CB 2.96Å; F486-A490 PolarHBondContact O-N 2.74Å; F487-A490 WeakPolarHBondContact O-CB 3.04Å; F487-A490 PolarHBondContact O-N 2.86Å; A488-A490 VanDerWaalsContact C-N 3.26Å; A488-A490 PolarHBondContact O-N 2.69Å; A490-P494 VanDerWaalsContact O-CA 3.24Å; A490-P494 WeakPolarHBondContact O-CA 3.49Å; A490-F497 VanDerWaalsContact CA-CD2 3.48Å; A490-F497 HydrophobicContact CB-CB 4.26Å; A490-F497 HydrophobicContact CB-CD1 4.09Å; A490-F497 HydrophobicContact CB-CD2 3.95Å; A490-F497 HydrophobicContact CB-CE1 4.39Å; A490-F497 HydrophobicContact CB-CE2 4.27Å; A490-F497 HydrophobicContact CB-CG 3.84Å; A490-F497 HydrophobicContact CB-CZ 4.47Å; A490-L499 HydrophobicContact CB-CD1 4.19Å |
| 491 | I | 94.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.4 | -44.3 | 173.7 | -64.6 | 163.1 | 0 | 0 | 0 | 109.9 | L396 I437 F487 A488 P494 L512 I515 I519 | L396-I491 HydrophobicContact CD1-CD1 4.48Å; L396-I491 HydrophobicContact CD1-CG1 3.87Å; I437-I491 HydrophobicContact CG2-CD1 3.82Å; F487-I491 VanDerWaalsContact O-CG1 3.32Å; F487-I491 WeakPolarHBondContact O-CG1 3.46Å; F487-I491 PolarHBondContact O-N 2.86Å; A488-I491 PolarHBondContact O-N 3.07Å; A488-I491 VanDerWaalsContact O-N 3.12Å; I491-P494 WeakPolarHBondContact O-CD 3.16Å; I491-P494 WeakPolarHBondContact O-CG 3.24Å; I491-L512 HydrophobicContact CG2-CD2 4.14Å; I491-I515 HydrophobicContact CG2-CB 4.23Å; I491-I515 HydrophobicContact CG2-CG2 3.85Å; I491-I519 HydrophobicContact CD1-CB 4.39Å; I491-I519 HydrophobicContact CD1-CG1 4.26Å; I491-I519 HydrophobicContact CD1-CG2 4.2Å |
| 492 | L | 91.8 | Very high | 85.1 | Confident | 68 Ų | 68 | 39.6 Ų | 39.6 | 36% | 0.356 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.5 | -44.7 | -179.5 | -177.7 | 65.4 | 0 | 0 | 0 | 112.2 | A488 P489 T513 | A488-L492 WeakPolarHBondContact O-CB 3.5Å; A488-L492 PolarHBondContact O-N 3.36Å; P489-L492 PolarHBondContact O-N 3.37Å; L492-T513 HydrophobicContact CD1-CG2 4.08Å; L492-T513 WeakPolarHBondContact CD1-OG1 3.14Å |
| 493 | S | 86.3 | Confident | 84.2 | Confident | 32 Ų | 32 | 44.7 Ų | 44.7 | 22% | 0.224 | 23% | 0.225 | C | C | . | . | trans | -130 | 71.9 | -176.1 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | P489 N495 L496 | P489-S493 PolarHBondContact O-N 3.1Å; S493-N495 PolarHBondContact O-N 3.04Å; S493-N495 VanDerWaalsContact O-N 3.09Å; S493-L496 PolarHBondContact O-N 2.88Å; S493-L496 VanDerWaalsContact O-N 3.07Å | ||
| 494 | P | 85.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.6 | -172.5 | -23.7 | 34.1 | 0 | 0 | 0 | 114.5 | I400 A490 I491 F497 H498 L499 R500 L512 | I400-P494 HydrophobicContact CD1-CB 4.46Å; I400-P494 HydrophobicContact CD1-CG 4.38Å; I400-P494 HydrophobicContact CG2-CB 3.99Å; I400-P494 HydrophobicContact CG2-CG 3.99Å; A490-P494 VanDerWaalsContact O-CA 3.24Å; A490-P494 WeakPolarHBondContact O-CA 3.49Å; I491-P494 WeakPolarHBondContact O-CD 3.16Å; I491-P494 WeakPolarHBondContact O-CG 3.24Å; P494-F497 PolarHBondContact O-N 2.93Å; P494-H498 PolarHBondContact O-N 3.11Å; P494-L499 HydrophobicContact CB-CB 3.91Å; P494-L499 HydrophobicContact CB-CD1 4.41Å; P494-L499 WeakPolarHBondContact O-CB 3.49Å; P494-L499 PolarHBondContact O-N 3.34Å; P494-R500 HydrophobicContact CB-CB 4.29Å; P494-R500 HydrophobicContact CB-CG 3.95Å; P494-R500 PolarHBondContact O-N 2.88Å; P494-L512 HydrophobicContact CG-CD1 3.78Å |
| 495 | N | 78.1 | Confident | 83.2 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -36.3 | 177.5 | 61 | -51.6 | 0 | 0 | 0 | 113 | S493 F497 H498 R500 | S493-N495 PolarHBondContact O-N 3.04Å; S493-N495 VanDerWaalsContact O-N 3.09Å; N495-F497 PolarHBondContact O-N 3Å; N495-H498 PolarHBondContact O-N 3.32Å; N495-R500 WeakPolarHBondContact CA-O 3.22Å |
| 496 | L | 77.9 | Confident | 82.8 | Confident | 106 Ų | 106 | 49.3 Ų | 49.3 | 56% | 0.555 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -19.8 | 179.2 | -63.1 | -178.6 | 0 | 0 | 0 | 112.8 | S493 | S493-L496 PolarHBondContact O-N 2.88Å; S493-L496 VanDerWaalsContact O-N 3.07Å |
| 497 | F | 79.4 | Confident | 82.2 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 13% | 0.127 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 18.7 | 178.2 | -69.5 | -96.9 | 0 | 0 | 0 | 112.7 | M389 L392 P489 A490 P494 N495 L499 | M389-F497 HydrophobicContact CE-CD1 4.48Å; M389-F497 HydrophobicContact SD-CB 4.35Å; L392-F497 HydrophobicContact CD2-CB 3.53Å; L392-F497 HydrophobicContact CD2-CD1 3.68Å; L392-F497 HydrophobicContact CD2-CG 3.91Å; P489-F497 HydrophobicContact CB-CE2 3.94Å; P489-F497 HydrophobicContact CB-CZ 3.96Å; A490-F497 VanDerWaalsContact CA-CD2 3.48Å; A490-F497 HydrophobicContact CB-CB 4.26Å; A490-F497 HydrophobicContact CB-CD1 4.09Å; A490-F497 HydrophobicContact CB-CD2 3.95Å; A490-F497 HydrophobicContact CB-CE1 4.39Å; A490-F497 HydrophobicContact CB-CE2 4.27Å; A490-F497 HydrophobicContact CB-CG 3.84Å; A490-F497 HydrophobicContact CB-CZ 4.47Å; P494-F497 PolarHBondContact O-N 2.93Å; N495-F497 PolarHBondContact O-N 3Å; F497-L499 HydrophobicContact CB-CD1 4.44Å; F497-L499 HydrophobicContact CB-CG 4.21Å; F497-L499 PolarHBondContact O-N 2.88Å |
| 498 | H | 75.8 | Confident | 81.9 | Confident | 128 Ų | 128 | 52.5 Ų | 52.5 | 59% | 0.593 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 22.8 | 178.3 | -53.5 | -78.3 | 0 | 0 | 0 | 114.8 | P494 N495 | P494-H498 PolarHBondContact O-N 3.11Å; N495-H498 PolarHBondContact O-N 3.32Å |
| 499 | L | 79.1 | Confident | 81.6 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -78.8 | -30.7 | 173.3 | -56.4 | 178.5 | 0 | 0 | 0 | 110.2 | L392 Q393 L396 K397 I400 A490 P494 F497 | L392-L499 HydrophobicContact CD2-CD1 3.92Å; L392-L499 HydrophobicContact CD2-CD2 3.97Å; L392-L499 HydrophobicContact CD2-CG 4.09Å; L392-L499 HydrophobicContact CG-CD1 4.34Å; L392-L499 HydrophobicContact CG-CD2 4.32Å; Q393-L499 HydrophobicContact CB-CD2 4.29Å; Q393-L499 HydrophobicContact CG-CD2 3.74Å; L396-L499 HydrophobicContact CB-CD1 4.25Å; L396-L499 HydrophobicContact CD1-CD1 4.45Å; K397-L499 HydrophobicContact CB-CD2 4.2Å; K397-L499 PolarHBondContact NZ-O 2.87Å; I400-L499 HydrophobicContact CD1-CD1 3.56Å; A490-L499 HydrophobicContact CB-CD1 4.19Å; P494-L499 HydrophobicContact CB-CB 3.91Å; P494-L499 HydrophobicContact CB-CD1 4.41Å; P494-L499 WeakPolarHBondContact O-CB 3.49Å; P494-L499 PolarHBondContact O-N 3.34Å; F497-L499 HydrophobicContact CB-CD1 4.44Å; F497-L499 HydrophobicContact CB-CG 4.21Å; F497-L499 PolarHBondContact O-N 2.88Å |
| 500 | R | 76.5 | Confident | 81.4 | Confident | 79 Ų | 79 | 54.3 Ų | 54.3 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -131.2 | 146.8 | 174.3 | -67.1 | -67 | -64.8 | -176.9 | -7 | 110.7 | I400 D401 P494 N495 H502 | I400-R500 HydrophobicContact CG2-CG 4.07Å; D401-R500 WeakPolarHBondContact OD1-CD 3.33Å; D401-R500 IonicContact OD1-CZ 2.63Å; D401-R500 IonicContact OD1-NE 3.33Å; D401-R500 IonicContact OD1-NH1 3.35Å; D401-R500 PolarHBondContact OD1-NH1 2.94Å; P494-R500 HydrophobicContact CB-CB 4.29Å; P494-R500 HydrophobicContact CB-CG 3.95Å; P494-R500 PolarHBondContact O-N 2.88Å; N495-R500 WeakPolarHBondContact CA-O 3.22Å; R500-H502 PolarHBondContact O-N 2.91Å |
| 501 | P | 60.2 | Low | 81.4 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 62% | 0.617 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -72.6 | -18.5 | 176.3 | 29.2 | -34.5 | 0 | 0 | 0 | 113 | ||
| 502 | H | 68.4 | Low | 81.3 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 51% | 0.514 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -140.9 | 151.5 | -168.5 | -66.3 | -37.1 | 0 | 0 | 0 | 111.1 | K51 R500 | K51-H502 WeakPolarHBondContact CE-ND1 3.48Å; R500-H502 PolarHBondContact O-N 2.91Å |
| 503 | H | 73.9 | Confident | 81.3 | Confident | 106 Ų | 106 | 52.8 Ų | 52.8 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 132.5 | 171 | -163.5 | -76.9 | 0 | 0 | 0 | 110.5 | ||
| 504 | P | 79.5 | Confident | 81.6 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 156.4 | 174 | -21.8 | 32.9 | 0 | 0 | 0 | 112.3 | T508 L512 | P504-T508 HydrophobicContact CB-CG2 4Å; P504-L512 HydrophobicContact CB-CD1 4.28Å; P504-L512 HydrophobicContact CG-CD1 3.76Å |
| 505 | D | 81.1 | Confident | 81.9 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 33% | 0.326 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 162.3 | 171.5 | 68.8 | 89 | 0 | 0 | 0 | 111.1 | H407 A507 T508 S509 | H407-D505 IonicContact CE1-OD2 2.72Å; H407-D505 PolarHBondContact CE1-OD2 2.88Å; H407-D505 IonicContact ND1-OD2 3.78Å; H407-D505 PolarHBondContact ND1-OD2 2.87Å; D505-A507 VanDerWaalsContact C-N 3.28Å; D505-A507 PolarHBondContact O-N 3.23Å; D505-A507 WeakPolarHBondContact OD1-CB 3.36Å; D505-A507 PolarHBondContact OD1-N 3Å; D505-T508 PolarHBondContact O-N 3.28Å; D505-T508 PolarHBondContact OD1-N 3.13Å; D505-T508 PolarHBondContact OD1-OG1 2.8Å; D505-T508 WeakPolarHBondContact OD2-CB 3.36Å; D505-T508 PolarHBondContact OD2-OG1 2.93Å; D505-S509 VanDerWaalsContact O-CB 3.29Å; D505-S509 WeakPolarHBondContact O-CB 3.27Å; D505-S509 PolarHBondContact O-N 2.79Å |
| 506 | P | 82.3 | Confident | 82.7 | Confident | 118 Ų | 118 | 49.4 Ų | 49.4 | 77% | 0.766 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -56.7 | -35.5 | -175 | -27.8 | 36.1 | 0 | 0 | 0 | 114.9 | R510 | P506-R510 WeakPolarHBondContact O-CB 3.35Å; P506-R510 PolarHBondContact O-N 3.37Å |
| 507 | A | 81.9 | Confident | 83.3 | Confident | 64 Ų | 64 | 47.2 Ų | 47.2 | 53% | 0.529 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -72.2 | -47.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D505 S509 R510 T511 | D505-A507 VanDerWaalsContact C-N 3.28Å; D505-A507 PolarHBondContact O-N 3.23Å; D505-A507 WeakPolarHBondContact OD1-CB 3.36Å; D505-A507 PolarHBondContact OD1-N 3Å; A507-S509 VanDerWaalsContact C-N 3.33Å; A507-S509 PolarHBondContact O-N 3.06Å; A507-R510 WeakPolarHBondContact O-CB 3.26Å; A507-R510 PolarHBondContact O-N 3.46Å; A507-T511 PolarHBondContact O-N 2.76Å; A507-T511 PolarHBondContact O-OG1 3.2Å |
| 508 | T | 87.4 | Confident | 83.8 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -39.2 | 175.6 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | I403 C404 H407 P504 D505 R510 T511 L512 | I403-T508 HydrophobicContact CG2-CG2 4.35Å; C404-T508 HydrophobicContact CB-CG2 4.44Å; H407-T508 PolarHBondContact ND1-OG1 2.84Å; P504-T508 HydrophobicContact CB-CG2 4Å; D505-T508 PolarHBondContact O-N 3.28Å; D505-T508 PolarHBondContact OD1-N 3.13Å; D505-T508 PolarHBondContact OD1-OG1 2.8Å; D505-T508 WeakPolarHBondContact OD2-CB 3.36Å; D505-T508 PolarHBondContact OD2-OG1 2.93Å; T508-R510 VanDerWaalsContact C-N 3.3Å; T508-R510 PolarHBondContact O-N 2.78Å; T508-T511 WeakPolarHBondContact O-CB 3.23Å; T508-T511 PolarHBondContact O-N 2.86Å; T508-L512 HydrophobicContact CG2-CD1 4.18Å; T508-L512 HydrophobicContact CG2-CG 4.43Å; T508-L512 WeakPolarHBondContact O-CG 3.47Å; T508-L512 PolarHBondContact O-N 3.48Å |
| 509 | S | 87.5 | Confident | 84.6 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 19% | 0.189 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -40.3 | 175 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | D505 A507 L512 T513 | D505-S509 VanDerWaalsContact O-CB 3.29Å; D505-S509 WeakPolarHBondContact O-CB 3.27Å; D505-S509 PolarHBondContact O-N 2.79Å; A507-S509 VanDerWaalsContact C-N 3.33Å; A507-S509 PolarHBondContact O-N 3.06Å; S509-L512 PolarHBondContact O-N 2.82Å; S509-T513 WeakPolarHBondContact O-CB 3.38Å; S509-T513 PolarHBondContact O-N 3.31Å; S509-T513 PolarHBondContact O-OG1 3.32Å |
| 510 | R | 89.2 | Confident | 85.2 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 19% | 0.185 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 174.1 | 178.4 | 58 | 173.3 | 157.7 | 7.3 | 111.8 | E411 P506 A507 T508 T513 L514 Y537 | E411-R510 IonicContact OE1-CZ 3.64Å; E411-R510 IonicContact OE1-NE 2.74Å; E411-R510 PolarHBondContact OE1-NE 3.25Å; E411-R510 IonicContact OE1-NH2 3.58Å; E411-R510 PolarHBondContact OE1-NH2 2.88Å; E411-R510 WeakPolarHBondContact OE2-CG 3.38Å; E411-R510 IonicContact OE2-CZ 3.39Å; E411-R510 IonicContact OE2-NE 3.76Å; E411-R510 PolarHBondContact OE2-NE 2.96Å; E411-R510 IonicContact OE2-NH2 3.39Å; P506-R510 WeakPolarHBondContact O-CB 3.35Å; P506-R510 PolarHBondContact O-N 3.37Å; A507-R510 WeakPolarHBondContact O-CB 3.26Å; A507-R510 PolarHBondContact O-N 3.46Å; T508-R510 VanDerWaalsContact C-N 3.3Å; T508-R510 PolarHBondContact O-N 2.78Å; R510-T513 WeakPolarHBondContact O-CB 3.3Å; R510-T513 PolarHBondContact O-N 3.42Å; R510-L514 PolarHBondContact O-N 3.43Å; R510-L514 VanDerWaalsContact O-N 3.09Å; R510-Y537 PolarHBondContact NH2-OH 3.08Å |
| 511 | T | 91.8 | Very high | 85.7 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.4 | -50.3 | 174.5 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | I403 C410 Y433 A507 T508 T513 L514 I515 | I403-T511 HydrophobicContact CG2-CG2 4.17Å; C410-T511 HydrophobicContact CB-CG2 3.77Å; C410-T511 VanDerWaalsContact SG-CG2 3.55Å; Y433-T511 HydrophobicContact CD2-CG2 4.36Å; Y433-T511 HydrophobicContact CE2-CG2 4.45Å; A507-T511 PolarHBondContact O-N 2.76Å; A507-T511 PolarHBondContact O-OG1 3.2Å; T508-T511 WeakPolarHBondContact O-CB 3.23Å; T508-T511 PolarHBondContact O-N 2.86Å; T511-T513 VanDerWaalsContact C-N 3.27Å; T511-T513 PolarHBondContact O-N 2.69Å; T511-L514 PolarHBondContact O-N 3.21Å; T511-L514 VanDerWaalsContact O-N 3.14Å; T511-I515 HydrophobicContact CG2-CD1 3.86Å; T511-I515 HydrophobicContact CG2-CG1 4.5Å; T511-I515 WeakPolarHBondContact O-CG1 3.13Å; T511-I515 PolarHBondContact O-N 3.1Å |
| 512 | L | 93 | Very high | 87 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -35 | 177.6 | -71.4 | 171.8 | 0 | 0 | 0 | 112.5 | I403 I491 P494 P504 T508 S509 I515 S516 | I403-L512 HydrophobicContact CD1-CD2 4.49Å; I403-L512 HydrophobicContact CG2-CD2 4.33Å; I491-L512 HydrophobicContact CG2-CD2 4.14Å; P494-L512 HydrophobicContact CG-CD1 3.78Å; P504-L512 HydrophobicContact CB-CD1 4.28Å; P504-L512 HydrophobicContact CG-CD1 3.76Å; T508-L512 HydrophobicContact CG2-CD1 4.18Å; T508-L512 HydrophobicContact CG2-CG 4.43Å; T508-L512 WeakPolarHBondContact O-CG 3.47Å; T508-L512 PolarHBondContact O-N 3.48Å; S509-L512 PolarHBondContact O-N 2.82Å; L512-I515 PolarHBondContact O-N 3.49Å; L512-S516 WeakPolarHBondContact O-CB 3.48Å; L512-S516 PolarHBondContact O-N 3.02Å |
| 513 | T | 92.4 | Very high | 87.8 | Confident | 32 Ų | 32 | 32.9 Ų | 32.9 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 174.4 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | L492 S509 R510 T511 S516 K517 | L492-T513 HydrophobicContact CD1-CG2 4.08Å; L492-T513 WeakPolarHBondContact CD1-OG1 3.14Å; S509-T513 WeakPolarHBondContact O-CB 3.38Å; S509-T513 PolarHBondContact O-N 3.31Å; S509-T513 PolarHBondContact O-OG1 3.32Å; R510-T513 WeakPolarHBondContact O-CB 3.3Å; R510-T513 PolarHBondContact O-N 3.42Å; T511-T513 VanDerWaalsContact C-N 3.27Å; T511-T513 PolarHBondContact O-N 2.69Å; T513-S516 PolarHBondContact O-N 2.79Å; T513-K517 WeakPolarHBondContact O-CB 3.43Å; T513-K517 WeakPolarHBondContact O-CG 3.38Å; T513-K517 PolarHBondContact O-N 2.87Å |
| 514 | L | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 178.7 | -67.6 | 171.9 | 0 | 0 | 0 | 111.3 | C410 I412 L430 R510 T511 K517 T518 Y537 M538 | C410-L514 WeakPolarHBondContact O-CD1 3.33Å; I412-L514 HydrophobicContact CG1-CD1 4.17Å; I412-L514 HydrophobicContact CG1-CD2 4.49Å; L430-L514 HydrophobicContact CD1-CB 3.81Å; L430-L514 HydrophobicContact CD2-CB 4.09Å; L430-L514 HydrophobicContact CD2-CD1 4.33Å; R510-L514 PolarHBondContact O-N 3.43Å; R510-L514 VanDerWaalsContact O-N 3.09Å; T511-L514 PolarHBondContact O-N 3.21Å; T511-L514 VanDerWaalsContact O-N 3.14Å; L514-K517 PolarHBondContact O-N 2.86Å; L514-T518 PolarHBondContact O-N 3.18Å; L514-T518 PolarHBondContact O-OG1 3.11Å; L514-Y537 HydrophobicContact CD2-CE2 4.4Å; L514-M538 HydrophobicContact CD2-CE 4.41Å; L514-M538 HydrophobicContact CD2-SD 3.88Å |
| 515 | I | 93.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.5 | -50.6 | 175 | -65.2 | 169.5 | 0 | 0 | 0 | 110.5 | I403 L430 Y433 V434 I437 I491 T511 L512 K517 T518 I519 | I403-I515 HydrophobicContact CD1-CD1 3.77Å; L430-I515 HydrophobicContact CD1-CG1 3.67Å; Y433-I515 HydrophobicContact CD2-CD1 4.26Å; Y433-I515 HydrophobicContact CG-CD1 4.29Å; V434-I515 HydrophobicContact CG2-CB 4.48Å; V434-I515 HydrophobicContact CG2-CG1 4.26Å; V434-I515 HydrophobicContact CG2-CG2 4.4Å; I437-I515 HydrophobicContact CD1-CD1 4.42Å; I437-I515 HydrophobicContact CD1-CG2 3.52Å; I491-I515 HydrophobicContact CG2-CB 4.23Å; I491-I515 HydrophobicContact CG2-CG2 3.85Å; T511-I515 HydrophobicContact CG2-CD1 3.86Å; T511-I515 HydrophobicContact CG2-CG1 4.5Å; T511-I515 WeakPolarHBondContact O-CG1 3.13Å; T511-I515 PolarHBondContact O-N 3.1Å; L512-I515 PolarHBondContact O-N 3.49Å; I515-K517 VanDerWaalsContact C-N 3.33Å; I515-K517 PolarHBondContact O-N 3.22Å; I515-T518 PolarHBondContact O-N 2.98Å; I515-I519 HydrophobicContact CG2-CG1 4.2Å; I515-I519 WeakPolarHBondContact O-CG1 3.49Å; I515-I519 PolarHBondContact O-N 3.43Å |
| 516 | S | 94 | Very high | 86.9 | Confident | 5 Ų | 5 | 31 Ų | 31 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.6 | -45.9 | 179.6 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | A488 L512 T513 Q520 | A488-S516 PolarHBondContact O-OG 2.81Å; L512-S516 WeakPolarHBondContact O-CB 3.48Å; L512-S516 PolarHBondContact O-N 3.02Å; T513-S516 PolarHBondContact O-N 2.79Å; S516-Q520 VanDerWaalsContact O-CB 3.25Å; S516-Q520 WeakPolarHBondContact O-CB 3.37Å; S516-Q520 PolarHBondContact O-N 3.03Å |
| 517 | K | 90.6 | Very high | 85.5 | Confident | 59 Ų | 59 | 32.9 Ų | 32.9 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 177.7 | -79.7 | -178.4 | 170.5 | -169.8 | 0 | 111.6 | T513 L514 I515 Q520 T521 E535 | T513-K517 WeakPolarHBondContact O-CB 3.43Å; T513-K517 WeakPolarHBondContact O-CG 3.38Å; T513-K517 PolarHBondContact O-N 2.87Å; L514-K517 PolarHBondContact O-N 2.86Å; I515-K517 VanDerWaalsContact C-N 3.33Å; I515-K517 PolarHBondContact O-N 3.22Å; K517-Q520 PolarHBondContact O-N 3.4Å; K517-T521 PolarHBondContact O-N 2.73Å; K517-T521 PolarHBondContact O-OG1 3.5Å; K517-E535 IonicContact NZ-OE1 3.03Å; K517-E535 PolarHBondContact NZ-OE1 2.89Å; K517-E535 IonicContact NZ-OE2 2.98Å; K517-E535 PolarHBondContact NZ-OE2 3.05Å |
| 518 | T | 90.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.5 | -46.9 | 179.5 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | V434 L514 I515 Q520 T521 L522 F541 Y542 F545 | V434-T518 HydrophobicContact CG1-CG2 3.72Å; V434-T518 HydrophobicContact CG2-CG2 4.17Å; L514-T518 PolarHBondContact O-N 3.18Å; L514-T518 PolarHBondContact O-OG1 3.11Å; I515-T518 PolarHBondContact O-N 2.98Å; T518-Q520 VanDerWaalsContact C-N 3.29Å; T518-Q520 PolarHBondContact O-N 2.91Å; T518-T521 PolarHBondContact O-N 2.99Å; T518-T521 VanDerWaalsContact O-N 3.15Å; T518-L522 HydrophobicContact CG2-CD1 4.17Å; T518-L522 HydrophobicContact CG2-CG 4.38Å; T518-L522 VanDerWaalsContact O-CG 3.32Å; T518-L522 WeakPolarHBondContact O-CG 3.34Å; T518-L522 PolarHBondContact O-N 3.49Å; T518-F541 HydrophobicContact CG2-CE1 3.95Å; T518-Y542 HydrophobicContact CG2-CD1 4.37Å; T518-Y542 HydrophobicContact CG2-CE1 4.15Å; T518-F545 HydrophobicContact CG2-CD2 4.29Å; T518-F545 HydrophobicContact CG2-CE2 4.24Å |
| 519 | I | 92.4 | Very high | 81.7 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 176.6 | -66.2 | -64.8 | 0 | 0 | 0 | 111.6 | V434 I437 F438 I441 F483 I491 I515 L522 G523 | V434-I519 HydrophobicContact CG1-CD1 4.1Å; I437-I519 HydrophobicContact CB-CD1 4.39Å; I437-I519 HydrophobicContact CG2-CD1 3.91Å; I437-I519 HydrophobicContact CG2-CG1 4.01Å; F438-I519 HydrophobicContact CB-CD1 3.86Å; F438-I519 HydrophobicContact CD2-CD1 4.38Å; I441-I519 HydrophobicContact CD1-CG2 4.04Å; F483-I519 HydrophobicContact CD1-CG2 3.98Å; F483-I519 HydrophobicContact CE1-CG2 4.24Å; I491-I519 HydrophobicContact CD1-CB 4.39Å; I491-I519 HydrophobicContact CD1-CG1 4.26Å; I491-I519 HydrophobicContact CD1-CG2 4.2Å; I515-I519 HydrophobicContact CG2-CG1 4.2Å; I515-I519 WeakPolarHBondContact O-CG1 3.49Å; I515-I519 PolarHBondContact O-N 3.43Å; I519-L522 PolarHBondContact O-N 3.25Å; I519-G523 PolarHBondContact O-N 3.36Å |
| 520 | Q | 90.2 | Very high | 79.7 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 174.9 | -178.3 | -173.7 | -17.7 | 0 | 0 | 112.1 | L484 A488 S516 K517 T518 G523 S524 | L484-Q520 HydrophobicContact CD1-CG 4.05Å; A488-Q520 HydrophobicContact CB-CB 3.92Å; S516-Q520 VanDerWaalsContact O-CB 3.25Å; S516-Q520 WeakPolarHBondContact O-CB 3.37Å; S516-Q520 PolarHBondContact O-N 3.03Å; K517-Q520 PolarHBondContact O-N 3.4Å; T518-Q520 VanDerWaalsContact C-N 3.29Å; T518-Q520 PolarHBondContact O-N 2.91Å; Q520-G523 PolarHBondContact O-N 3.44Å; Q520-S524 WeakPolarHBondContact O-CB 3.5Å; Q520-S524 PolarHBondContact O-N 3.49Å; Q520-S524 PolarHBondContact O-OG 2.95Å |
| 521 | T | 87.4 | Confident | 77.4 | Confident | 52 Ų | 52 | 46.7 Ų | 46.7 | 32% | 0.319 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 176.6 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | K517 T518 S524 Y542 | K517-T521 PolarHBondContact O-N 2.73Å; K517-T521 PolarHBondContact O-OG1 3.5Å; T518-T521 PolarHBondContact O-N 2.99Å; T518-T521 VanDerWaalsContact O-N 3.15Å; T521-S524 PolarHBondContact O-N 3.42Å; T521-Y542 HydrophobicContact CG2-CD1 4.45Å; T521-Y542 HydrophobicContact CG2-CE1 4.24Å |
| 522 | L | 88.1 | Confident | 75.2 | Confident | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.12 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 177.8 | -64.6 | 176.9 | 0 | 0 | 0 | 112 | V434 F438 T518 I519 S524 L525 F545 | V434-L522 HydrophobicContact CG1-CD1 4.2Å; F438-L522 HydrophobicContact CD2-CB 4.37Å; F438-L522 HydrophobicContact CD2-CD1 3.84Å; F438-L522 HydrophobicContact CE2-CB 4.16Å; F438-L522 HydrophobicContact CE2-CD1 4.21Å; T518-L522 HydrophobicContact CG2-CD1 4.17Å; T518-L522 HydrophobicContact CG2-CG 4.38Å; T518-L522 VanDerWaalsContact O-CG 3.32Å; T518-L522 WeakPolarHBondContact O-CG 3.34Å; T518-L522 PolarHBondContact O-N 3.49Å; I519-L522 PolarHBondContact O-N 3.25Å; L522-S524 VanDerWaalsContact C-N 3.28Å; L522-S524 PolarHBondContact O-N 3.37Å; L522-L525 PolarHBondContact O-N 2.99Å; L522-F545 HydrophobicContact CD1-CB 4.35Å; L522-F545 HydrophobicContact CD1-CD1 4.03Å; L522-F545 HydrophobicContact CD1-CG 4.24Å; L522-F545 HydrophobicContact CD2-CB 3.44Å; L522-F545 VanDerWaalsContact CD2-CB 3.44Å; L522-F545 HydrophobicContact CD2-CG 4.18Å; L522-F545 HydrophobicContact CG-CB 4.47Å |
| 523 | G | 84.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -35.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S479 I519 Q520 L525 | S479-G523 WeakPolarHBondContact CB-O 3.24Å; S479-G523 PolarHBondContact OG-O 3.16Å; I519-G523 PolarHBondContact O-N 3.36Å; Q520-G523 PolarHBondContact O-N 3.44Å; G523-L525 PolarHBondContact O-N 2.71Å |
| 524 | S | 81 | Confident | 71.7 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 28% | 0.28 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9 | -176.6 | -61 | 0 | 0 | 0 | 0 | 114 | Q520 T521 L522 A526 | Q520-S524 WeakPolarHBondContact O-CB 3.5Å; Q520-S524 PolarHBondContact O-N 3.49Å; Q520-S524 PolarHBondContact O-OG 2.95Å; T521-S524 PolarHBondContact O-N 3.42Å; L522-S524 VanDerWaalsContact C-N 3.28Å; L522-S524 PolarHBondContact O-N 3.37Å; S524-A526 PolarHBondContact O-N 3Å |
| 525 | L | 74.1 | Confident | 70.6 | Confident | 29 Ų | 29 | 70 Ų | 70 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 20.8 | -179.8 | -65.7 | 176.3 | 0 | 0 | 0 | 113.9 | Y475 L522 G523 K527 A551 V554 K555 L558 | Y475-L525 HydrophobicContact CG-CD1 4.27Å; L522-L525 PolarHBondContact O-N 2.99Å; G523-L525 PolarHBondContact O-N 2.71Å; L525-K527 PolarHBondContact O-N 3.45Å; L525-A551 HydrophobicContact CD2-CB 4.24Å; L525-V554 HydrophobicContact CD1-CG1 4.08Å; L525-V554 HydrophobicContact CD2-CB 3.83Å; L525-V554 HydrophobicContact CD2-CG1 3.69Å; L525-V554 HydrophobicContact CG-CG1 3.82Å; L525-K555 HydrophobicContact CD1-CG 3.87Å; L525-K555 HydrophobicContact CD2-CG 4.41Å; L525-L558 HydrophobicContact CD1-CD1 4Å |
| 526 | A | 61.3 | Low | 69.6 | Low | 76 Ų | 76 | 75 Ų | 75 | 63% | 0.628 | 41% | 0.41 | S | S | * | . | trans | -66.4 | 103.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | S524 S528 | S524-A526 PolarHBondContact O-N 3Å; A526-S528 PolarHBondContact O-N 2.88Å | ||
| 527 | K | 53.1 | Low | 68.9 | Low | 156 Ų | 156 | 76.5 Ų | 76.5 | 68% | 0.678 | 42% | 0.415 | S | S | * | . | trans | -44.8 | 118.7 | 168.1 | -71.3 | 173.7 | -174.8 | 156.4 | 0 | 105.5 | D472 L525 K529 | D472-K527 VanDerWaalsContact OD2-CE 3.25Å; D472-K527 WeakPolarHBondContact OD2-CE 3.35Å; D472-K527 IonicContact OD2-NZ 2.78Å; D472-K527 PolarHBondContact OD2-NZ 2.91Å; L525-K527 PolarHBondContact O-N 3.45Å; K527-K529 PolarHBondContact O-N 3.49Å | ||
| 528 | S | 43.7 | Very low | 68.4 | Low | 60 Ų | 60 | 73.7 Ų | 73.7 | 42% | 0.42 | 40% | 0.403 | S | S | . | . | trans | -52.1 | 90 | -176.3 | 59.9 | 0 | 0 | 0 | 0 | 109.3 | A526 S530 | A526-S528 PolarHBondContact O-N 2.88Å; S528-S530 PolarHBondContact O-N 3.44Å | ||
| 529 | K | 45.3 | Very low | 67.8 | Low | 194 Ų | 194 | 75.2 Ų | 75.2 | 84% | 0.843 | 42% | 0.416 | S | S | * | . | trans | -73.4 | 91.4 | 159.3 | -74.7 | -169.6 | 179.9 | -179.1 | 0 | 102.9 | K527 A531 | K527-K529 PolarHBondContact O-N 3.49Å; K529-A531 PolarHBondContact O-N 3.29Å | ||
| 530 | S | 44.8 | Very low | 67.1 | Low | 108 Ų | 108 | 77.3 Ų | 77.3 | 76% | 0.755 | 43% | 0.433 | S | S | * | . | trans | -57.3 | 24.3 | -179.8 | 44.2 | 0 | 0 | 0 | 0 | 114.7 | S528 | S528-S530 PolarHBondContact O-N 3.44Š| ||
| 531 | A | 41.3 | Very low | 66.7 | Low | 73 Ų | 73 | 74.1 Ų | 74.1 | 60% | 0.603 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -143.5 | 67.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | K529 | K529-A531 PolarHBondContact O-N 3.29Š|
| 532 | N | 45.7 | Very low | 66.5 | Low | 160 Ų | 160 | 73 Ų | 73 | 86% | 0.856 | 41% | 0.408 | S | S | * | . | trans | 155.4 | 53.9 | 149.4 | -75.8 | -18.3 | 0 | 0 | 0 | 112.2 | K534 | N532-K534 PolarHBondContact O-N 3.25Å; N532-K534 VanDerWaalsContact O-N 3.14Å | ||
| 533 | F | 55.2 | Low | 66.2 | Low | 92 Ų | 92 | 77.1 Ų | 77.1 | 40% | 0.404 | 43% | 0.431 | S | S | . | . | trans | -66 | 116.4 | 163.9 | -73.1 | -72.3 | 0 | 0 | 0 | 108.3 | E535 A539 Y542 | F533-E535 PolarHBondContact O-N 3.13Å; F533-E535 VanDerWaalsContact O-N 3.11Å; F533-A539 HydrophobicContact CD2-CB 4.31Å; F533-Y542 AromaticContact CD1-CD2 3.94Å; F533-Y542 HydrophobicContact CD1-CD2 3.94Å; F533-Y542 AromaticContact CD1-CE2 3.8Å; F533-Y542 HydrophobicContact CD1-CE2 3.8Å; F533-Y542 AromaticContact CE1-CD2 3.43Å; F533-Y542 HydrophobicContact CE1-CD2 3.43Å; F533-Y542 VanDerWaalsContact CE1-CD2 3.43Å; F533-Y542 AromaticContact CE1-CE2 3.55Å; F533-Y542 HydrophobicContact CE1-CE2 3.55Å; F533-Y542 HydrophobicContact CE1-CG 4.43Å; F533-Y542 HydrophobicContact CE2-CD2 4.45Å; F533-Y542 AromaticContact CZ-CD2 3.72Å; F533-Y542 HydrophobicContact CZ-CD2 3.72Å; F533-Y542 HydrophobicContact CZ-CE2 4.32Å; F533-Y542 HydrophobicContact CZ-CG 4.47Å | ||
| 534 | K | 57.8 | Low | 65.9 | Low | 214 Ų | 214 | 80.7 Ų | 80.7 | 93% | 0.93 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -59.2 | -18.8 | 174.2 | -74.8 | -176.2 | 175.8 | -179.6 | 0 | 112.9 | N532 | N532-K534 PolarHBondContact O-N 3.25Å; N532-K534 VanDerWaalsContact O-N 3.14Å |
| 535 | E | 68 | Low | 65.9 | Low | 62 Ų | 62 | 79.2 Ų | 79.2 | 29% | 0.29 | 43% | 0.433 | S | S | . | . | trans | -124.1 | 93.9 | -178.8 | -69.4 | -179.1 | 134.1 | 0 | 0 | 109.4 | K517 F533 Y537 M538 | K517-E535 IonicContact NZ-OE1 3.03Å; K517-E535 PolarHBondContact NZ-OE1 2.89Å; K517-E535 IonicContact NZ-OE2 2.98Å; K517-E535 PolarHBondContact NZ-OE2 3.05Å; F533-E535 PolarHBondContact O-N 3.13Å; F533-E535 VanDerWaalsContact O-N 3.11Å; E535-Y537 HydrophobicContact CB-CD1 4.01Å; E535-Y537 HydrophobicContact CB-CE1 3.57Å; E535-Y537 VanDerWaalsContact CD-OH 3.31Å; E535-Y537 HydrophobicContact CG-CE1 3.81Å; E535-Y537 PolarHBondContact O-N 3.34Å; E535-Y537 PolarHBondContact OE1-OH 3.04Å; E535-M538 HydrophobicContact CB-CG 4.08Å; E535-M538 PolarHBondContact O-N 3.24Å; E535-M538 VanDerWaalsContact O-N 3.17Å | ||
| 536 | S | 72.4 | Confident | 66 | Low | 104 Ų | 104 | 82.5 Ų | 82.5 | 73% | 0.727 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -59.7 | -30.5 | -175.8 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | M538 A539 | S536-M538 VanDerWaalsContact C-N 3.25Å; S536-M538 PolarHBondContact O-N 3.25Å; S536-A539 WeakPolarHBondContact O-CB 3.16Å; S536-A539 PolarHBondContact O-N 3.37Å |
| 537 | Y | 79.2 | Confident | 66.7 | Low | 36 Ų | 36 | 83.3 Ų | 83.3 | 14% | 0.141 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -65.8 | -24.4 | 178.9 | 70.9 | -90.9 | 0 | 0 | 0 | 113.8 | I412 D413 R510 L514 E535 | I412-Y537 HydrophobicContact CD1-CD2 4.3Å; I412-Y537 HydrophobicContact CD1-CE2 4.41Å; I412-Y537 HydrophobicContact CG1-CD2 4.05Å; I412-Y537 HydrophobicContact CG1-CE2 4.13Å; D413-Y537 HydrophobicContact CB-CD2 4.21Å; D413-Y537 HydrophobicContact CB-CE2 4.22Å; D413-Y537 HydrophobicContact CB-CG 4.4Å; R510-Y537 PolarHBondContact NH2-OH 3.08Å; L514-Y537 HydrophobicContact CD2-CE2 4.4Å; E535-Y537 HydrophobicContact CB-CD1 4.01Å; E535-Y537 HydrophobicContact CB-CE1 3.57Å; E535-Y537 VanDerWaalsContact CD-OH 3.31Å; E535-Y537 HydrophobicContact CG-CE1 3.81Å; E535-Y537 PolarHBondContact O-N 3.34Å; E535-Y537 PolarHBondContact OE1-OH 3.04Å |
| 538 | M | 80.5 | Confident | 67.9 | Low | 1 Ų | 1 | 81.7 Ų | 81.7 | 1% | 0.005 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -81.9 | -18.4 | 179.1 | -66.2 | -68.2 | -66.9 | 0 | 0 | 112.9 | I412 L514 E535 S536 A540 F541 Y542 | I412-M538 HydrophobicContact CD1-CE 4.32Å; I412-M538 HydrophobicContact CD1-SD 3.38Å; I412-M538 WeakPolarHBondContact CD1-SD 3.42Å; I412-M538 HydrophobicContact CG1-SD 4.25Å; L514-M538 HydrophobicContact CD2-CE 4.41Å; L514-M538 HydrophobicContact CD2-SD 3.88Å; E535-M538 HydrophobicContact CB-CG 4.08Å; E535-M538 PolarHBondContact O-N 3.24Å; E535-M538 VanDerWaalsContact O-N 3.17Å; S536-M538 VanDerWaalsContact C-N 3.25Å; S536-M538 PolarHBondContact O-N 3.25Å; M538-A540 PolarHBondContact O-N 3.22Å; M538-F541 HydrophobicContact CE-CD1 4.27Å; M538-F541 WeakPolarHBondContact O-CB 3.16Å; M538-F541 PolarHBondContact O-N 3.42Å; M538-Y542 HydrophobicContact CB-CD2 4.08Å; M538-Y542 HydrophobicContact CB-CE2 3.52Å; M538-Y542 HydrophobicContact CE-CE1 3.97Å; M538-Y542 HydrophobicContact CE-CE2 4.39Å; M538-Y542 WeakPolarHBondContact CE-OH 3.35Å; M538-Y542 HydrophobicContact CG-CE2 4.47Å; M538-Y542 VanDerWaalsContact O-CD2 3.28Å; M538-Y542 WeakPolarHBondContact O-CD2 3.14Å; M538-Y542 PolarHBondContact O-N 3.36Å |
| 539 | A | 77.4 | Confident | 69.8 | Low | 31 Ų | 31 | 83.8 Ų | 83.8 | 26% | 0.256 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.2 | -52.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112 | F533 S536 F541 Y542 D543 | F533-A539 HydrophobicContact CD2-CB 4.31Å; S536-A539 WeakPolarHBondContact O-CB 3.16Å; S536-A539 PolarHBondContact O-N 3.37Å; A539-F541 PolarHBondContact O-N 3.06Å; A539-F541 VanDerWaalsContact O-N 3.16Å; A539-Y542 PolarHBondContact O-N 3.35Å; A539-Y542 VanDerWaalsContact O-N 3.08Å; A539-D543 PolarHBondContact O-N 3.05Å |
| 540 | A | 77.3 | Confident | 71.8 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 37% | 0.372 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.8 | -20.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | M538 Y544 | M538-A540 PolarHBondContact O-N 3.22Å; A540-Y544 WeakPolarHBondContact O-CD2 3.47Å; A540-Y544 WeakPolarHBondContact O-CE2 3.36Å |
| 541 | F | 83.5 | Confident | 73.7 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -80.8 | -35.5 | 174.5 | -175.4 | -111 | 0 | 0 | 0 | 112 | I412 R427 L430 R431 V434 T518 M538 A539 D543 Y544 F545 | I412-F541 HydrophobicContact CD1-CB 4.26Å; I412-F541 HydrophobicContact CD1-CG 4.29Å; R427-F541 HydrophobicContact CG-CD2 3.84Å; R427-F541 HydrophobicContact CG-CE2 4.26Å; L430-F541 HydrophobicContact CB-CE2 4.22Å; L430-F541 HydrophobicContact CB-CZ 4.06Å; L430-F541 HydrophobicContact CD2-CD1 4.14Å; L430-F541 HydrophobicContact CD2-CD2 4.46Å; L430-F541 HydrophobicContact CD2-CE1 3.67Å; L430-F541 HydrophobicContact CD2-CE2 4.03Å; L430-F541 HydrophobicContact CD2-CZ 3.62Å; L430-F541 HydrophobicContact CG-CE1 3.92Å; L430-F541 HydrophobicContact CG-CE2 4.08Å; L430-F541 HydrophobicContact CG-CZ 3.49Å; L430-F541 VanDerWaalsContact CG-CZ 3.49Å; R431-F541 HydrophobicContact CB-CE2 3.99Å; R431-F541 HydrophobicContact CB-CZ 4.4Å; V434-F541 HydrophobicContact CG2-CE1 4.44Å; V434-F541 HydrophobicContact CG2-CZ 4.36Å; T518-F541 HydrophobicContact CG2-CE1 3.95Å; M538-F541 HydrophobicContact CE-CD1 4.27Å; M538-F541 WeakPolarHBondContact O-CB 3.16Å; M538-F541 PolarHBondContact O-N 3.42Å; A539-F541 PolarHBondContact O-N 3.06Å; A539-F541 VanDerWaalsContact O-N 3.16Å; F541-D543 VanDerWaalsContact C-N 3.28Å; F541-D543 PolarHBondContact O-N 3.29Å; F541-Y544 HydrophobicContact CD2-CD2 4.4Å; F541-Y544 WeakPolarHBondContact O-CD2 3.34Å; F541-Y544 PolarHBondContact O-N 3.35Å; F541-F545 HydrophobicContact CD1-CE2 4.26Å; F541-F545 AromaticContact CE1-CE2 3.69Å; F541-F545 HydrophobicContact CE1-CE2 3.69Å; F541-F545 HydrophobicContact CE1-CZ 4.43Å; F541-F545 HydrophobicContact CE2-CE2 4.09Å; F541-F545 AromaticContact CZ-CE2 3.59Å; F541-F545 HydrophobicContact CZ-CE2 3.59Å; F541-F545 HydrophobicContact CZ-CZ 4.04Å; F541-F545 WeakPolarHBondContact O-CD2 3.26Å |
| 542 | Y | 82.6 | Confident | 75.7 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69 | -25.8 | 177.8 | -66.8 | -47 | 0 | 0 | 0 | 113.3 | T518 T521 F533 M538 A539 Y544 F545 N546 | T518-Y542 HydrophobicContact CG2-CD1 4.37Å; T518-Y542 HydrophobicContact CG2-CE1 4.15Å; T521-Y542 HydrophobicContact CG2-CD1 4.45Å; T521-Y542 HydrophobicContact CG2-CE1 4.24Å; F533-Y542 AromaticContact CD1-CD2 3.94Å; F533-Y542 HydrophobicContact CD1-CD2 3.94Å; F533-Y542 AromaticContact CD1-CE2 3.8Å; F533-Y542 HydrophobicContact CD1-CE2 3.8Å; F533-Y542 AromaticContact CE1-CD2 3.43Å; F533-Y542 HydrophobicContact CE1-CD2 3.43Å; F533-Y542 VanDerWaalsContact CE1-CD2 3.43Å; F533-Y542 AromaticContact CE1-CE2 3.55Å; F533-Y542 HydrophobicContact CE1-CE2 3.55Å; F533-Y542 HydrophobicContact CE1-CG 4.43Å; F533-Y542 HydrophobicContact CE2-CD2 4.45Å; F533-Y542 AromaticContact CZ-CD2 3.72Å; F533-Y542 HydrophobicContact CZ-CD2 3.72Å; F533-Y542 HydrophobicContact CZ-CE2 4.32Å; F533-Y542 HydrophobicContact CZ-CG 4.47Å; M538-Y542 HydrophobicContact CB-CD2 4.08Å; M538-Y542 HydrophobicContact CB-CE2 3.52Å; M538-Y542 HydrophobicContact CE-CE1 3.97Å; M538-Y542 HydrophobicContact CE-CE2 4.39Å; M538-Y542 WeakPolarHBondContact CE-OH 3.35Å; M538-Y542 HydrophobicContact CG-CE2 4.47Å; M538-Y542 VanDerWaalsContact O-CD2 3.28Å; M538-Y542 WeakPolarHBondContact O-CD2 3.14Å; M538-Y542 PolarHBondContact O-N 3.36Å; A539-Y542 PolarHBondContact O-N 3.35Å; A539-Y542 VanDerWaalsContact O-N 3.08Å; Y542-Y544 PolarHBondContact O-N 3.06Å; Y542-F545 PolarHBondContact O-N 2.97Å; Y542-N546 PolarHBondContact O-N 3.37Å |
| 543 | D | 80.6 | Confident | 77.7 | Confident | 111 Ų | 111 | 65.1 Ų | 65.1 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -58.1 | -32.1 | 176.9 | -68.5 | -28.3 | 0 | 0 | 0 | 112.7 | A539 F541 F545 N546 | A539-D543 PolarHBondContact O-N 3.05Å; F541-D543 VanDerWaalsContact C-N 3.28Å; F541-D543 PolarHBondContact O-N 3.29Å; D543-F545 PolarHBondContact O-N 3.19Å; D543-N546 PolarHBondContact O-N 3.38Å |
| 544 | Y | 79.6 | Confident | 79.4 | Confident | 74 Ų | 74 | 60.8 Ų | 60.8 | 29% | 0.29 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -62.4 | -22.2 | 174.8 | -71 | -77.9 | 0 | 0 | 0 | 113.9 | A540 F541 Y542 | A540-Y544 WeakPolarHBondContact O-CD2 3.47Å; A540-Y544 WeakPolarHBondContact O-CE2 3.36Å; F541-Y544 HydrophobicContact CD2-CD2 4.4Å; F541-Y544 WeakPolarHBondContact O-CD2 3.34Å; F541-Y544 PolarHBondContact O-N 3.35Å; Y542-Y544 PolarHBondContact O-N 3.06Å |
| 545 | F | 81.1 | Confident | 80.7 | Confident | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -114 | 7.8 | -175.9 | -54.8 | -85 | 0 | 0 | 0 | 113 | R431 V434 D435 T518 L522 F541 Y542 D543 E547 Y550 | R431-F545 HydrophobicContact CG-CZ 4.01Å; V434-F545 HydrophobicContact CB-CE1 4.33Å; V434-F545 HydrophobicContact CB-CZ 3.95Å; V434-F545 HydrophobicContact CG1-CD1 4.4Å; V434-F545 HydrophobicContact CG1-CE1 3.62Å; V434-F545 HydrophobicContact CG1-CE2 4.31Å; V434-F545 HydrophobicContact CG1-CZ 3.57Å; D435-F545 WeakPolarHBondContact OD1-CE1 3.35Å; T518-F545 HydrophobicContact CG2-CD2 4.29Å; T518-F545 HydrophobicContact CG2-CE2 4.24Å; L522-F545 HydrophobicContact CD1-CB 4.35Å; L522-F545 HydrophobicContact CD1-CD1 4.03Å; L522-F545 HydrophobicContact CD1-CG 4.24Å; L522-F545 HydrophobicContact CD2-CB 3.44Å; L522-F545 VanDerWaalsContact CD2-CB 3.44Å; L522-F545 HydrophobicContact CD2-CG 4.18Å; L522-F545 HydrophobicContact CG-CB 4.47Å; F541-F545 HydrophobicContact CD1-CE2 4.26Å; F541-F545 AromaticContact CE1-CE2 3.69Å; F541-F545 HydrophobicContact CE1-CE2 3.69Å; F541-F545 HydrophobicContact CE1-CZ 4.43Å; F541-F545 HydrophobicContact CE2-CE2 4.09Å; F541-F545 AromaticContact CZ-CE2 3.59Å; F541-F545 HydrophobicContact CZ-CE2 3.59Å; F541-F545 HydrophobicContact CZ-CZ 4.04Å; F541-F545 WeakPolarHBondContact O-CD2 3.26Å; Y542-F545 PolarHBondContact O-N 2.97Å; D543-F545 PolarHBondContact O-N 3.19Å; F545-E547 PolarHBondContact O-N 3.08Å; F545-Y550 HydrophobicContact CB-CD2 4.23Å; F545-Y550 HydrophobicContact CB-CE2 4.28Å; F545-Y550 HydrophobicContact CD1-CD1 4.2Å; F545-Y550 HydrophobicContact CD1-CD2 4.42Å; F545-Y550 AromaticContact CD1-CE1 3.68Å; F545-Y550 HydrophobicContact CD1-CE1 3.68Å; F545-Y550 AromaticContact CD1-CE2 3.9Å; F545-Y550 HydrophobicContact CD1-CE2 3.9Å; F545-Y550 AromaticContact CD1-CZ 3.52Å; F545-Y550 HydrophobicContact CE1-CE1 4.2Å |
| 546 | N | 74.7 | Confident | 81.4 | Confident | 99 Ų | 99 | 55.2 Ų | 55.2 | 53% | 0.529 | 30% | 0.297 | S | S | . | . | trans | -77.2 | 4.3 | 176.5 | -157.6 | 18.6 | 0 | 0 | 0 | 112.8 | Y542 D543 | Y542-N546 PolarHBondContact O-N 3.37Å; D543-N546 PolarHBondContact O-N 3.38Å | ||
| 547 | E | 76.8 | Confident | 82 | Confident | 92 Ų | 92 | 50.4 Ų | 50.4 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -70.3 | 137.1 | 175.1 | -64.8 | -177.9 | -136.1 | 0 | 0 | 111.5 | F545 K549 Y550 | F545-E547 PolarHBondContact O-N 3.08Å; E547-K549 HydrophobicContact CB-CD 4.31Å; E547-K549 HydrophobicContact CB-CG 3.97Å; E547-K549 PolarHBondContact O-N 3.06Å; E547-K549 IonicContact OE1-NZ 3.1Å; E547-K549 PolarHBondContact OE1-NZ 2.93Å; E547-K549 WeakPolarHBondContact OE2-CD 3.31Å; E547-K549 WeakPolarHBondContact OE2-CE 3.43Å; E547-K549 IonicContact OE2-NZ 3.2Å; E547-K549 PolarHBondContact OE2-NZ 3.01Å; E547-Y550 HydrophobicContact CB-CD2 4.06Å; E547-Y550 HydrophobicContact CB-CE2 4.31Å; E547-Y550 PolarHBondContact O-N 2.95Å |
| 548 | Q | 78.9 | Confident | 82.4 | Confident | 123 Ų | 123 | 48.8 Ų | 48.8 | 58% | 0.575 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -53.6 | -29.5 | -179.8 | -170.3 | 62.8 | 32.3 | 0 | 0 | 113.2 | Y550 A551 D552 | Q548-Y550 VanDerWaalsContact C-N 3.26Å; Q548-Y550 PolarHBondContact O-N 3.25Å; Q548-A551 PolarHBondContact O-N 2.64Å; Q548-A551 VanDerWaalsContact O-N 3.15Å; Q548-D552 PolarHBondContact NE2-OD1 2.87Å; Q548-D552 PolarHBondContact O-N 3.37Å |
| 549 | K | 83.9 | Confident | 82.4 | Confident | 103 Ų | 103 | 50.8 Ų | 50.8 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.9 | -37 | 177.7 | 75.6 | -174.7 | -179.1 | -156 | 0 | 113.5 | E547 A553 | E547-K549 HydrophobicContact CB-CD 4.31Å; E547-K549 HydrophobicContact CB-CG 3.97Å; E547-K549 PolarHBondContact O-N 3.06Å; E547-K549 IonicContact OE1-NZ 3.1Å; E547-K549 PolarHBondContact OE1-NZ 2.93Å; E547-K549 WeakPolarHBondContact OE2-CD 3.31Å; E547-K549 WeakPolarHBondContact OE2-CE 3.43Å; E547-K549 IonicContact OE2-NZ 3.2Å; E547-K549 PolarHBondContact OE2-NZ 3.01Å; K549-A553 VanDerWaalsContact O-CB 3.27Å; K549-A553 WeakPolarHBondContact O-CB 3.38Å; K549-A553 PolarHBondContact O-N 3.14Å |
| 550 | Y | 85.8 | Confident | 82.3 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 7% | 0.071 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.1 | -42.2 | -179.6 | -68.4 | -80.8 | 0 | 0 | 0 | 110.4 | D435 F438 F545 E547 Q548 A553 V554 | D435-Y550 WeakPolarHBondContact OD1-CE1 3.48Å; D435-Y550 PolarHBondContact OD1-OH 3.29Å; F438-Y550 AromaticContact CD1-CD1 3.74Å; F438-Y550 HydrophobicContact CD1-CD1 3.74Å; F438-Y550 HydrophobicContact CD1-CE1 4.03Å; F438-Y550 HydrophobicContact CD2-CD1 4.49Å; F438-Y550 AromaticContact CE1-CD1 3.46Å; F438-Y550 HydrophobicContact CE1-CD1 3.46Å; F438-Y550 VanDerWaalsContact CE1-CD1 3.46Å; F438-Y550 HydrophobicContact CE1-CE1 4.16Å; F438-Y550 HydrophobicContact CE1-CG 4.41Å; F438-Y550 HydrophobicContact CE2-CD1 4.23Å; F438-Y550 HydrophobicContact CG-CD1 4.26Å; F438-Y550 AromaticContact CZ-CD1 3.72Å; F438-Y550 HydrophobicContact CZ-CD1 3.72Å; F438-Y550 HydrophobicContact CZ-CG 4.38Å; F438-Y550 WeakPolarHBondContact CZ-O 3.34Å; F545-Y550 HydrophobicContact CB-CD2 4.23Å; F545-Y550 HydrophobicContact CB-CE2 4.28Å; F545-Y550 HydrophobicContact CD1-CD1 4.2Å; F545-Y550 HydrophobicContact CD1-CD2 4.42Å; F545-Y550 AromaticContact CD1-CE1 3.68Å; F545-Y550 HydrophobicContact CD1-CE1 3.68Å; F545-Y550 AromaticContact CD1-CE2 3.9Å; F545-Y550 HydrophobicContact CD1-CE2 3.9Å; F545-Y550 AromaticContact CD1-CZ 3.52Å; F545-Y550 HydrophobicContact CE1-CE1 4.2Å; E547-Y550 HydrophobicContact CB-CD2 4.06Å; E547-Y550 HydrophobicContact CB-CE2 4.31Å; E547-Y550 PolarHBondContact O-N 2.95Å; Q548-Y550 VanDerWaalsContact C-N 3.26Å; Q548-Y550 PolarHBondContact O-N 3.25Å; Y550-A553 PolarHBondContact O-N 3.45Å; Y550-V554 WeakPolarHBondContact O-CG2 3.44Å; Y550-V554 PolarHBondContact O-N 3.38Å |
| 551 | A | 85.1 | Confident | 82.4 | Confident | 29 Ų | 29 | 51 Ų | 51 | 24% | 0.24 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L525 Q548 V554 K555 | L525-A551 HydrophobicContact CD2-CB 4.24Å; Q548-A551 PolarHBondContact O-N 2.64Å; Q548-A551 VanDerWaalsContact O-N 3.15Å; A551-V554 PolarHBondContact O-N 2.98Å; A551-K555 WeakPolarHBondContact O-CG 3.22Å; A551-K555 PolarHBondContact O-N 2.93Å |
| 552 | D | 84.7 | Confident | 82.3 | Confident | 69 Ų | 69 | 51 Ų | 51 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 178.7 | -65.1 | -14 | 0 | 0 | 0 | 111.5 | Q548 V554 K555 N556 | Q548-D552 PolarHBondContact NE2-OD1 2.87Å; Q548-D552 PolarHBondContact O-N 3.37Å; D552-V554 PolarHBondContact O-N 2.94Å; D552-K555 PolarHBondContact O-N 2.98Å; D552-N556 WeakPolarHBondContact O-CB 3.43Å; D552-N556 PolarHBondContact O-N 3.06Å; D552-N556 PolarHBondContact O-ND2 3.13Å |
| 553 | A | 87.3 | Confident | 81.7 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F438 T442 K549 Y550 F557 | F438-A553 HydrophobicContact CE1-CB 3.94Å; F438-A553 HydrophobicContact CZ-CB 4.04Å; T442-A553 HydrophobicContact CG2-CB 4.14Å; K549-A553 VanDerWaalsContact O-CB 3.27Å; K549-A553 WeakPolarHBondContact O-CB 3.38Å; K549-A553 PolarHBondContact O-N 3.14Å; Y550-A553 PolarHBondContact O-N 3.45Å; A553-F557 VanDerWaalsContact O-CB 3.3Å; A553-F557 WeakPolarHBondContact O-CB 3.39Å; A553-F557 PolarHBondContact O-N 2.92Å |
| 554 | V | 89.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 174 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | F438 F483 L525 Y550 A551 D552 N556 F557 L558 | F438-V554 HydrophobicContact CE2-CG2 3.55Å; F438-V554 HydrophobicContact CZ-CG2 3.73Å; F483-V554 HydrophobicContact CE2-CG1 4.04Å; F483-V554 HydrophobicContact CZ-CG1 4.47Å; F483-V554 HydrophobicContact CZ-CG2 4.36Å; L525-V554 HydrophobicContact CD1-CG1 4.08Å; L525-V554 HydrophobicContact CD2-CB 3.83Å; L525-V554 HydrophobicContact CD2-CG1 3.69Å; L525-V554 HydrophobicContact CG-CG1 3.82Å; Y550-V554 WeakPolarHBondContact O-CG2 3.44Å; Y550-V554 PolarHBondContact O-N 3.38Å; A551-V554 PolarHBondContact O-N 2.98Å; D552-V554 PolarHBondContact O-N 2.94Å; V554-N556 PolarHBondContact O-N 3.29Å; V554-F557 PolarHBondContact O-N 3.44Å; V554-L558 HydrophobicContact CG1-CD1 3.75Å; V554-L558 HydrophobicContact CG1-CG 4.1Å; V554-L558 WeakPolarHBondContact O-CB 3.11Å; V554-L558 VanDerWaalsContact O-CG 3.23Å; V554-L558 WeakPolarHBondContact O-CG 3.49Å; V554-L558 PolarHBondContact O-N 3.01Å |
| 555 | K | 86.4 | Confident | 78.9 | Confident | 50 Ų | 50 | 48.7 Ų | 48.7 | 22% | 0.217 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 178.7 | -75.5 | -179.9 | 174.1 | -166 | 0 | 111.8 | D472 Y475 L525 A551 D552 F557 L558 D559 | D472-K555 IonicContact OD1-NZ 3.82Å; D472-K555 PolarHBondContact OD1-NZ 3.24Å; Y475-K555 HydrophobicContact CD1-CG 4.36Å; Y475-K555 HydrophobicContact CD2-CG 4.38Å; Y475-K555 HydrophobicContact CE1-CB 4.18Å; Y475-K555 HydrophobicContact CE1-CG 4.31Å; Y475-K555 HydrophobicContact CE2-CD 4.34Å; Y475-K555 HydrophobicContact CE2-CG 4.35Å; Y475-K555 HydrophobicContact CG-CG 4.39Å; L525-K555 HydrophobicContact CD1-CG 3.87Å; L525-K555 HydrophobicContact CD2-CG 4.41Å; A551-K555 WeakPolarHBondContact O-CG 3.22Å; A551-K555 PolarHBondContact O-N 2.93Å; D552-K555 PolarHBondContact O-N 2.98Å; K555-F557 PolarHBondContact O-N 3.34Å; K555-L558 PolarHBondContact O-N 3.07Å; K555-D559 WeakPolarHBondContact O-CB 3.34Å; K555-D559 PolarHBondContact O-N 3Å |
| 556 | N | 81.3 | Confident | 76.9 | Confident | 110 Ų | 110 | 58.8 Ų | 58.8 | 59% | 0.588 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 176.2 | -71.8 | -26.7 | 0 | 0 | 0 | 112 | D552 V554 D559 L560 | D552-N556 WeakPolarHBondContact O-CB 3.43Å; D552-N556 PolarHBondContact O-N 3.06Å; D552-N556 PolarHBondContact O-ND2 3.13Å; V554-N556 PolarHBondContact O-N 3.29Å; N556-D559 PolarHBondContact O-N 2.68Å; N556-L560 WeakPolarHBondContact O-CB 3.43Å; N556-L560 PolarHBondContact O-N 2.68Å |
| 557 | F | 86.3 | Confident | 75.1 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 174.8 | 168.9 | -102.7 | 0 | 0 | 0 | 111.7 | Y391 I441 T442 I482 F483 F487 A553 V554 K555 D559 L560 I561 | Y391-F557 WeakPolarHBondContact OH-CE2 3.35Å; I441-F557 HydrophobicContact CG2-CE1 4.39Å; I441-F557 HydrophobicContact CG2-CZ 4.29Å; I441-F557 WeakPolarHBondContact O-CD2 3.2Å; I441-F557 VanDerWaalsContact O-CE2 3.28Å; I441-F557 WeakPolarHBondContact O-CE2 3.27Å; T442-F557 HydrophobicContact CG2-CB 4.37Å; T442-F557 WeakPolarHBondContact O-CD2 3.37Å; I482-F557 HydrophobicContact CG1-CE1 4.2Å; I482-F557 HydrophobicContact CG1-CZ 4.3Å; I482-F557 HydrophobicContact CG2-CE1 4.31Å; F483-F557 AromaticContact CE2-CD1 3.97Å; F483-F557 HydrophobicContact CE2-CD1 3.97Å; F483-F557 AromaticContact CE2-CE1 3.96Å; F483-F557 HydrophobicContact CE2-CE1 3.96Å; F483-F557 HydrophobicContact CZ-CD1 4.11Å; F483-F557 HydrophobicContact CZ-CE1 4.14Å; F487-F557 HydrophobicContact CE2-CE1 4.34Å; F487-F557 AromaticContact CE2-CZ 3.92Å; F487-F557 HydrophobicContact CE2-CZ 3.92Å; F487-F557 HydrophobicContact CZ-CZ 4.48Å; A553-F557 VanDerWaalsContact O-CB 3.3Å; A553-F557 WeakPolarHBondContact O-CB 3.39Å; A553-F557 PolarHBondContact O-N 2.92Å; V554-F557 PolarHBondContact O-N 3.44Å; K555-F557 PolarHBondContact O-N 3.34Å; F557-D559 PolarHBondContact O-N 2.67Å; F557-L560 WeakPolarHBondContact O-CB 3.44Å; F557-L560 PolarHBondContact O-N 3.17Å; F557-I561 HydrophobicContact CD1-CD1 4.4Å; F557-I561 HydrophobicContact CD2-CG2 4.24Å; F557-I561 HydrophobicContact CE1-CD1 3.74Å; F557-I561 HydrophobicContact CE2-CG2 3.75Å; F557-I561 HydrophobicContact CZ-CD1 3.93Å; F557-I561 HydrophobicContact CZ-CG2 3.91Å; F557-I561 WeakPolarHBondContact O-CG1 3.2Å; F557-I561 PolarHBondContact O-N 2.86Å |
| 558 | L | 87.4 | Confident | 73 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 178.7 | -69.7 | 175.9 | 0 | 0 | 0 | 111.4 | Y475 V478 I482 F483 L525 V554 K555 I561 S562 | Y475-L558 HydrophobicContact CD1-CB 3.89Å; Y475-L558 HydrophobicContact CD1-CD1 4.02Å; Y475-L558 HydrophobicContact CE1-CB 4.46Å; Y475-L558 HydrophobicContact CG-CD1 4.42Å; V478-L558 HydrophobicContact CB-CD2 4.27Å; V478-L558 HydrophobicContact CG1-CD2 3.86Å; I482-L558 HydrophobicContact CG2-CD2 3.76Å; F483-L558 HydrophobicContact CE2-CD2 4.3Å; L525-L558 HydrophobicContact CD1-CD1 4Å; V554-L558 HydrophobicContact CG1-CD1 3.75Å; V554-L558 HydrophobicContact CG1-CG 4.1Å; V554-L558 WeakPolarHBondContact O-CB 3.11Å; V554-L558 VanDerWaalsContact O-CG 3.23Å; V554-L558 WeakPolarHBondContact O-CG 3.49Å; V554-L558 PolarHBondContact O-N 3.01Å; K555-L558 PolarHBondContact O-N 3.07Å; L558-I561 HydrophobicContact CD2-CD1 4.2Å; L558-I561 WeakPolarHBondContact O-CG1 3.35Å; L558-S562 VanDerWaalsContact O-CB 3.27Å; L558-S562 WeakPolarHBondContact O-CB 3.32Å; L558-S562 PolarHBondContact O-N 3.13Å; L558-S562 PolarHBondContact O-OG 2.72Å |
| 559 | D | 81.2 | Confident | 71 | Confident | 44 Ų | 44 | 68.8 Ų | 68.8 | 24% | 0.235 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 175.3 | -80.2 | -33.6 | 0 | 0 | 0 | 111.5 | R460 Y475 K555 N556 F557 S562 T563 | R460-D559 IonicContact NH1-OD1 3.06Å; Y475-D559 VanDerWaalsContact CE1-CG 3.49Å; Y475-D559 WeakPolarHBondContact CE1-OD1 3.49Å; Y475-D559 WeakPolarHBondContact CE1-OD2 3.39Å; Y475-D559 PolarHBondContact OH-OD1 3.36Å; Y475-D559 PolarHBondContact OH-OD2 3.42Å; K555-D559 WeakPolarHBondContact O-CB 3.34Å; K555-D559 PolarHBondContact O-N 3Å; N556-D559 PolarHBondContact O-N 2.68Å; F557-D559 PolarHBondContact O-N 2.67Å; D559-S562 WeakPolarHBondContact CA-OG 3.33Å; D559-S562 CarbonylContact O-C 3.54Å; D559-S562 PolarHBondContact O-N 3.37Å; D559-S562 PolarHBondContact O-OG 2.94Å; D559-T563 PolarHBondContact O-N 3.39Å; D559-T563 PolarHBondContact O-OG1 3.02Å |
| 560 | L | 74.3 | Confident | 68.8 | Low | 80 Ų | 80 | 71.7 Ų | 71.7 | 42% | 0.419 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 178.5 | -179 | 61.4 | 0 | 0 | 0 | 112.4 | V446 N556 F557 S562 T563 | V446-L560 HydrophobicContact CG1-CD1 4.48Å; V446-L560 HydrophobicContact CG1-CD2 3.87Å; N556-L560 WeakPolarHBondContact O-CB 3.43Å; N556-L560 PolarHBondContact O-N 2.68Å; F557-L560 WeakPolarHBondContact O-CB 3.44Å; F557-L560 PolarHBondContact O-N 3.17Å; L560-S562 PolarHBondContact O-N 3.28Å; L560-T563 PolarHBondContact O-N 3.46Å |
| 561 | I | 80.1 | Confident | 66.9 | Low | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -77.2 | -8.7 | 179.3 | 69.8 | 173 | 0 | 0 | 0 | 113.3 | C448 C453 F456 V478 I482 F557 L558 | C448-I561 HydrophobicContact CB-CB 4.34Å; C448-I561 HydrophobicContact CB-CG2 3.74Å; C453-I561 WeakPolarHBondContact CA-O 3.42Å; C453-I561 WeakPolarHBondContact CB-O 3.26Å; F456-I561 HydrophobicContact CD2-CB 4.37Å; F456-I561 HydrophobicContact CD2-CD1 3.84Å; F456-I561 HydrophobicContact CD2-CG1 4.09Å; F456-I561 HydrophobicContact CE2-CD1 3.96Å; V478-I561 HydrophobicContact CG1-CD1 4.12Å; V478-I561 HydrophobicContact CG1-CG1 4.48Å; I482-I561 HydrophobicContact CB-CD1 4.24Å; I482-I561 HydrophobicContact CG1-CD1 3.95Å; I482-I561 HydrophobicContact CG2-CD1 4.09Å; F557-I561 HydrophobicContact CD1-CD1 4.4Å; F557-I561 HydrophobicContact CD2-CG2 4.24Å; F557-I561 HydrophobicContact CE1-CD1 3.74Å; F557-I561 HydrophobicContact CE2-CG2 3.75Å; F557-I561 HydrophobicContact CZ-CD1 3.93Å; F557-I561 HydrophobicContact CZ-CG2 3.91Å; F557-I561 WeakPolarHBondContact O-CG1 3.2Å; F557-I561 PolarHBondContact O-N 2.86Å; L558-I561 HydrophobicContact CD2-CD1 4.2Å; L558-I561 WeakPolarHBondContact O-CG1 3.35Å |
| 562 | S | 79.9 | Confident | 64.8 | Low | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.007 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 22.5 | 176.2 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | F457 R460 L558 D559 L560 | F457-S562 WeakPolarHBondContact CB-O 3.28Å; F457-S562 VanDerWaalsContact CD2-O 3.24Å; F457-S562 WeakPolarHBondContact CD2-O 3.49Å; R460-S562 WeakPolarHBondContact CD-OG 3.48Å; R460-S562 PolarHBondContact NH1-O 3.23Å; R460-S562 VanDerWaalsContact NH1-O 3.1Å; R460-S562 PolarHBondContact NH1-OG 2.88Å; R460-S562 PolarHBondContact NH2-O 3.37Å; L558-S562 VanDerWaalsContact O-CB 3.27Å; L558-S562 WeakPolarHBondContact O-CB 3.32Å; L558-S562 PolarHBondContact O-N 3.13Å; L558-S562 PolarHBondContact O-OG 2.72Å; D559-S562 WeakPolarHBondContact CA-OG 3.33Å; D559-S562 CarbonylContact O-C 3.54Å; D559-S562 PolarHBondContact O-N 3.37Å; D559-S562 PolarHBondContact O-OG 2.94Å; L560-S562 PolarHBondContact O-N 3.28Å |
| 563 | T | 70.9 | Confident | 62.8 | Low | 78 Ų | 78 | 83.5 Ų | 83.5 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | trans | -100.8 | 120.3 | 172.6 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | D559 L560 G565 | D559-T563 PolarHBondContact O-N 3.39Å; D559-T563 PolarHBondContact O-OG1 3.02Å; L560-T563 PolarHBondContact O-N 3.46Å; T563-G565 PolarHBondContact O-N 3.12Å; T563-G565 VanDerWaalsContact O-N 3.14Å | ||
| 564 | S | 53.7 | Low | 60.8 | Low | 62 Ų | 62 | 86.1 Ų | 86.1 | 43% | 0.434 | 44% | 0.436 | S | S | . | . | trans | -80.7 | 94 | 172.3 | -168.5 | 0 | 0 | 0 | 0 | 109.1 | D454 | D454-S564 PolarHBondContact OD1-OG 3.27Å; D454-S564 VanDerWaalsContact OD1-OG 3.08Å | ||
| 565 | G | 47 | Very low | 58.7 | Low | 23 Ų | 23 | 89 Ų | 89 | 24% | 0.237 | 46% | 0.455 | C | S | . | . | trans | -93.8 | 133.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | T563 W567 | T563-G565 PolarHBondContact O-N 3.12Å; T563-G565 VanDerWaalsContact O-N 3.14Å; G565-W567 PolarHBondContact O-N 2.9Å | ||
| 566 | K | 40 | Very low | 57.1 | Low | 222 Ų | 222 | 88.3 Ų | 88.3 | 97% | 0.965 | 45% | 0.453 | S | S | * | . | trans | -65.2 | 73.1 | 161 | -68.5 | -177.9 | 179.2 | 179.3 | 0 | 108.5 | D568 | K566-D568 PolarHBondContact O-N 2.79Š| ||
| 567 | W | 36.2 | Very low | 56.2 | Low | 214 Ų | 214 | 86 Ų | 86 | 81% | 0.811 | 44% | 0.439 | S | S | * | . | trans | -80.3 | 114.2 | 166.6 | -67.1 | 83.6 | 0 | 0 | 0 | 105.7 | G565 Q569 | G565-W567 PolarHBondContact O-N 2.9Å; W567-Q569 PolarHBondContact O-N 3.27Å | ||
| 568 | D | 32.7 | Very low | 55 | Low | 138 Ų | 138 | 88.9 Ų | 88.9 | 74% | 0.738 | 45% | 0.454 | S | S | * | . | trans | -42.5 | 140.1 | 178.6 | -104.7 | -24.9 | 0 | 0 | 0 | 111.2 | K566 K570 | K566-D568 PolarHBondContact O-N 2.79Å; D568-K570 HydrophobicContact CB-CG 4.44Å; D568-K570 PolarHBondContact O-N 2.71Å | ||
| 569 | Q | 37.7 | Very low | 54.3 | Low | 172 Ų | 172 | 91 Ų | 91 | 80% | 0.804 | 46% | 0.464 | S | S | * | . | trans | -70.6 | 51.7 | 177.4 | -151.8 | 171.7 | 30.7 | 0 | 0 | 110.8 | W567 | W567-Q569 PolarHBondContact O-N 3.27Š| ||
| 570 | K | 38.3 | Very low | 54.5 | Low | 163 Ų | 163 | 92.5 Ų | 92.5 | 71% | 0.709 | 47% | 0.469 | S | S | * | . | trans | -78.5 | 123.5 | 172 | -79.4 | -176.3 | 179.2 | 177.8 | 0 | 108.5 | D568 I572 | D568-K570 HydrophobicContact CB-CG 4.44Å; D568-K570 PolarHBondContact O-N 2.71Å; K570-I572 PolarHBondContact O-N 3.04Å | ||
| 571 | S | 44.1 | Very low | 55 | Low | 101 Ų | 101 | 89.3 Ų | 89.3 | 71% | 0.706 | 46% | 0.456 | S | S | * | . | trans | -33.7 | 131.8 | 171.7 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | E573 | S571-E573 PolarHBondContact O-N 3.23Š| ||
| 572 | I | 42.5 | Very low | 55.5 | Low | 95 Ų | 95 | 92.7 Ų | 92.7 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | trans | -45.6 | 107.5 | 173.2 | -62.1 | 150.9 | 0 | 0 | 0 | 109.3 | K570 T574 I576 H608 | K570-I572 PolarHBondContact O-N 3.04Å; I572-T574 VanDerWaalsContact C-N 3.27Å; I572-T574 WeakPolarHBondContact CG2-O 3.14Å; I572-T574 PolarHBondContact O-N 3.44Å; I572-I576 HydrophobicContact CD1-CD1 3.74Å; I572-I576 HydrophobicContact CG2-CD1 3.9Å; I572-I576 HydrophobicContact CG2-CG1 4.02Å; I572-H608 PolarHBondContact O-CE1 2.88Å; I572-H608 PolarHBondContact O-NE2 2.83Å | ||
| 573 | E | 41.5 | Very low | 56.2 | Low | 169 Ų | 169 | 92.7 Ų | 92.7 | 79% | 0.79 | 47% | 0.47 | S | S | * | . | trans | -73.1 | -17.7 | -174.6 | -70.9 | -177.2 | 163.7 | 0 | 0 | 113 | S571 H608 | S571-E573 PolarHBondContact O-N 3.23Å; E573-H608 PolarHBondContact O-CE1 3.02Å | ||
| 574 | T | 44.9 | Very low | 57.2 | Low | 82 Ų | 82 | 91.1 Ų | 91.1 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -103.4 | 135.8 | -177.7 | 48.7 | 0 | 0 | 0 | 0 | 113 | I572 I576 | I572-T574 VanDerWaalsContact C-N 3.27Å; I572-T574 WeakPolarHBondContact CG2-O 3.14Å; I572-T574 PolarHBondContact O-N 3.44Å; T574-I576 PolarHBondContact O-N 2.72Å |
| 575 | P | 47 | Very low | 59.1 | Low | 62 Ų | 62 | 88.8 Ų | 88.8 | 40% | 0.403 | 44% | 0.44 | S | S | . | . | trans | -66.7 | 105.1 | -176.5 | 21.6 | -30 | 0 | 0 | 0 | 114.6 | M577 T606 N607 H608 | P575-M577 PolarHBondContact O-N 2.93Å; P575-T606 HydrophobicContact CB-CG2 3.97Å; P575-N607 VanDerWaalsContact CA-OD1 3.22Å; P575-N607 WeakPolarHBondContact CA-OD1 3.43Å; P575-H608 WeakPolarHBondContact CA-CD2 3.37Å | ||
| 576 | I | 51.3 | Low | 61 | Low | 35 Ų | 35 | 89.1 Ų | 89.1 | 18% | 0.179 | 44% | 0.435 | C | S | . | . | trans | -65.4 | 120.9 | 167.1 | -59.5 | 175.9 | 0 | 0 | 0 | 108 | H390 I572 T574 L578 T606 N607 | H390-I576 HydrophobicContact CB-CG1 4.38Å; H390-I576 HydrophobicContact CB-CG2 4.48Å; I572-I576 HydrophobicContact CD1-CD1 3.74Å; I572-I576 HydrophobicContact CG2-CD1 3.9Å; I572-I576 HydrophobicContact CG2-CG1 4.02Å; T574-I576 PolarHBondContact O-N 2.72Å; I576-L578 HydrophobicContact CB-CD2 4.4Å; I576-L578 HydrophobicContact CG2-CD2 3.79Å; I576-L578 PolarHBondContact O-N 3.44Å; I576-T606 CarbonylContact O-C 3.46Å; I576-T606 WeakPolarHBondContact O-CA 3.49Å; I576-T606 VanDerWaalsContact O-CB 3.23Å; I576-T606 WeakPolarHBondContact O-CB 3.4Å; I576-N607 PolarHBondContact N-OD1 3.03Å; I576-N607 PolarHBondContact O-N 2.85Å | ||
| 577 | M | 63.3 | Low | 62.9 | Low | 61 Ų | 61 | 79.6 Ų | 79.6 | 30% | 0.3 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 116.5 | 169.6 | -172.3 | -71.9 | -59 | 0 | 0 | 109.1 | P575 K579 E580 | P575-M577 PolarHBondContact O-N 2.93Å; M577-K579 PolarHBondContact SD-N 3.47Å; M577-K579 VanDerWaalsContact SD-N 3.4Å; M577-E580 HydrophobicContact SD-CB 4.45Å; M577-E580 HydrophobicContact SD-CG 4.25Å |
| 578 | L | 60.6 | Low | 64.4 | Low | 63 Ų | 63 | 72.7 Ų | 72.7 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -38.3 | -176.7 | -62.5 | 177.7 | 0 | 0 | 0 | 111.8 | I576 L605 N607 I671 V675 | I576-L578 HydrophobicContact CB-CD2 4.4Å; I576-L578 HydrophobicContact CG2-CD2 3.79Å; I576-L578 PolarHBondContact O-N 3.44Å; L578-L605 HydrophobicContact CB-CD2 4.28Å; L578-L605 HydrophobicContact CB-CG 4.16Å; L578-L605 HydrophobicContact CD1-CD2 4.41Å; L578-L605 HydrophobicContact CD1-CG 4.26Å; L578-L605 PolarHBondContact N-O 3.07Å; L578-N607 HydrophobicContact CD1-CB 4.36Å; L578-I671 HydrophobicContact CB-CD1 3.66Å; L578-I671 HydrophobicContact CB-CG1 4.4Å; L578-I671 WeakPolarHBondContact O-CD1 3.44Å; L578-V675 HydrophobicContact CD1-CG1 3.28Å |
| 579 | K | 73.6 | Confident | 65.6 | Low | 46 Ų | 46 | 68.3 Ų | 68.3 | 20% | 0.2 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 148.3 | 176.6 | -163.9 | 172.4 | 176.5 | 81.6 | 0 | 111.2 | M577 L605 D667 W668 I671 | M577-K579 PolarHBondContact SD-N 3.47Å; M577-K579 VanDerWaalsContact SD-N 3.4Å; K579-L605 PolarHBondContact N-O 3.24Å; K579-L605 PolarHBondContact O-N 3.25Å; K579-D667 VanDerWaalsContact NZ-CB 3.34Å; K579-D667 IonicContact NZ-OD2 3.55Å; K579-D667 PolarHBondContact NZ-OD2 3.39Å; K579-W668 HydrophobicContact CB-CH2 3.89Å; K579-W668 HydrophobicContact CB-CZ2 4.36Å; K579-W668 HydrophobicContact CB-CZ3 3.97Å; K579-W668 HydrophobicContact CD-CD2 3.69Å; K579-W668 HydrophobicContact CD-CE3 3.92Å; K579-W668 HydrophobicContact CD-CG 4.21Å; K579-W668 HydrophobicContact CD-CH2 4.19Å; K579-W668 HydrophobicContact CD-CZ2 3.97Å; K579-W668 HydrophobicContact CD-CZ3 4.16Å; K579-W668 HydrophobicContact CG-CD2 4.38Å; K579-W668 HydrophobicContact CG-CE3 4.41Å; K579-W668 HydrophobicContact CG-CH2 3.81Å; K579-W668 HydrophobicContact CG-CZ2 3.75Å; K579-W668 HydrophobicContact CG-CZ3 4.14Å; K579-I671 HydrophobicContact CB-CD1 3.97Å; K579-I671 HydrophobicContact CD-CG2 4.08Å |
| 580 | E | 86.1 | Confident | 66.3 | Low | 75 Ų | 75 | 72 Ų | 72 | 35% | 0.35 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 154.1 | 169.3 | 60.1 | 173.2 | -152.1 | 0 | 0 | 110.9 | M577 W602 F603 K616 | M577-E580 HydrophobicContact SD-CB 4.45Å; M577-E580 HydrophobicContact SD-CG 4.25Å; E580-W602 HydrophobicContact CB-CZ2 3.76Å; E580-W602 HydrophobicContact CG-CH2 4.27Å; E580-W602 HydrophobicContact CG-CZ2 3.67Å; E580-W602 WeakPolarHBondContact OE1-CZ2 3.22Å; E580-F603 CarbonylContact C-O 3.19Å; E580-F603 WeakPolarHBondContact CA-O 3.38Å; E580-K616 IonicContact OE1-NZ 2.92Å; E580-K616 PolarHBondContact OE1-NZ 3.08Å |
| 581 | G | 84.8 | Confident | 66.7 | Low | 13 Ų | 13 | 70.6 Ų | 70.6 | 13% | 0.134 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.1 | 163.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F603 | G581-F603 PolarHBondContact N-O 3.27Å; G581-F603 PolarHBondContact O-N 3.21Å |
| 582 | F | 90 | Very high | 67 | Low | 72 Ų | 72 | 77.1 Ų | 77.1 | 32% | 0.316 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 130.3 | 173.2 | -77.6 | -74 | 0 | 0 | 0 | 110.9 | K600 R601 W602 N660 | F582-K600 HydrophobicContact CB-CG 4.42Å; F582-K600 HydrophobicContact CD1-CD 4.41Å; F582-K600 HydrophobicContact CD1-CG 4.04Å; F582-R601 WeakPolarHBondContact CA-O 3.49Å; F582-W602 HydrophobicContact CD1-CB 4.34Å; F582-W602 AromaticContact CD1-CE3 3.95Å; F582-W602 HydrophobicContact CD1-CE3 3.95Å; F582-W602 AromaticContact CD2-CE3 3.44Å; F582-W602 HydrophobicContact CD2-CE3 3.44Å; F582-W602 VanDerWaalsContact CD2-CE3 3.44Å; F582-W602 AromaticContact CD2-CZ3 3.49Å; F582-W602 HydrophobicContact CD2-CZ3 3.49Å; F582-W602 VanDerWaalsContact CD2-CZ3 3.49Å; F582-W602 HydrophobicContact CE1-CB 4.06Å; F582-W602 AromaticContact CE1-CE3 3.93Å; F582-W602 HydrophobicContact CE1-CE3 3.93Å; F582-W602 AromaticContact CE2-CE3 3.41Å; F582-W602 HydrophobicContact CE2-CE3 3.41Å; F582-W602 VanDerWaalsContact CE2-CE3 3.41Å; F582-W602 AromaticContact CE2-CZ3 3.55Å; F582-W602 HydrophobicContact CE2-CZ3 3.55Å; F582-W602 AromaticContact CG-CE3 3.71Å; F582-W602 HydrophobicContact CG-CE3 3.71Å; F582-W602 HydrophobicContact CG-CZ3 4.14Å; F582-W602 AromaticContact CZ-CE3 3.66Å; F582-W602 HydrophobicContact CZ-CE3 3.66Å; F582-W602 HydrophobicContact CZ-CZ3 4.25Å; F582-N660 PolarHBondContact O-ND2 3.38Å |
| 583 | M | 94.5 | Very high | 67.3 | Low | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 168.2 | 169.7 | -64.9 | -173.4 | -77.8 | 0 | 0 | 110 | K600 R601 F603 F610 F646 I657 Q658 A659 W668 | M583-K600 CarbonylContact O-C 3.52Å; M583-K600 WeakPolarHBondContact O-CA 3.28Å; M583-R601 PolarHBondContact N-O 2.95Å; M583-R601 PolarHBondContact O-N 2.95Å; M583-R601 VanDerWaalsContact O-O 3.12Å; M583-F603 HydrophobicContact CB-CD2 3.63Å; M583-F603 HydrophobicContact CB-CE2 3.66Å; M583-F603 HydrophobicContact CE-CB 3.48Å; M583-F603 VanDerWaalsContact CE-CB 3.48Å; M583-F603 HydrophobicContact CE-CD1 3.78Å; M583-F603 HydrophobicContact CE-CD2 3.64Å; M583-F603 HydrophobicContact CE-CE1 4.36Å; M583-F603 HydrophobicContact CE-CE2 4.25Å; M583-F603 HydrophobicContact CE-CG 3.35Å; M583-F603 HydrophobicContact CG-CD2 4.29Å; M583-F610 HydrophobicContact CE-CE2 4.48Å; M583-F610 HydrophobicContact CE-CZ 4.23Å; M583-F646 HydrophobicContact CE-CZ 4.33Å; M583-F646 HydrophobicContact SD-CE1 3.88Å; M583-F646 HydrophobicContact SD-CZ 3.84Å; M583-I657 HydrophobicContact CB-CG2 3.73Å; M583-I657 HydrophobicContact CE-CG2 4.15Å; M583-I657 HydrophobicContact CG-CG2 4.34Å; M583-I657 HydrophobicContact SD-CG2 3.71Å; M583-Q658 WeakPolarHBondContact CB-O 3.44Å; M583-A659 HydrophobicContact SD-CB 4.34Å; M583-W668 HydrophobicContact CE-CD2 3.52Å; M583-W668 VanDerWaalsContact CE-CE2 3.44Å; M583-W668 HydrophobicContact CE-CE3 3.9Å; M583-W668 HydrophobicContact CE-CG 3.96Å; M583-W668 HydrophobicContact CE-CH2 4.13Å; M583-W668 HydrophobicContact CE-CZ2 3.77Å; M583-W668 HydrophobicContact CE-CZ3 4.18Å; M583-W668 HydrophobicContact SD-CB 4.38Å; M583-W668 HydrophobicContact SD-CD2 3.87Å; M583-W668 HydrophobicContact SD-CG 3.65Å; M583-W668 PolarHBondContact SD-NE1 3.35Å; M583-W668 VanDerWaalsContact SD-NE1 3.45Å |
| 584 | I | 92.2 | Very high | 67.6 | Low | 46 Ų | 46 | 76.2 Ų | 76.2 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.2 | 179.5 | -56.9 | 173.8 | 0 | 0 | 0 | 108.7 | F598 K600 I657 Q658 | I584-F598 HydrophobicContact CG2-CB 3.64Å; I584-F598 HydrophobicContact CG2-CD1 4.07Å; I584-F598 HydrophobicContact CG2-CG 4.32Å; I584-K600 HydrophobicContact CG1-CB 4.4Å; I584-I657 CarbonylContact O-C 3.58Å; I584-I657 WeakPolarHBondContact O-CA 3.13Å; I584-Q658 HydrophobicContact CB-CB 4.09Å; I584-Q658 PolarHBondContact N-O 2.93Å; I584-Q658 PolarHBondContact O-N 2.96Å |
| 585 | K | 92.1 | Very high | 67.9 | Low | 12 Ų | 12 | 79.4 Ų | 79.4 | 5% | 0.052 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 148 | 174.5 | 55.6 | 162.3 | -72.6 | -64.9 | 0 | 113 | F598 K599 R601 F603 Y612 L655 | K585-F598 WeakPolarHBondContact O-CA 3.33Å; K585-K599 PolarHBondContact N-O 2.63Å; K585-K599 PolarHBondContact O-N 3.35Å; K585-R601 HydrophobicContact CD-CG 4.01Å; K585-R601 HydrophobicContact CG-CB 4.42Å; K585-R601 HydrophobicContact CG-CG 3.8Å; K585-F603 HydrophobicContact CB-CZ 4.04Å; K585-F603 HydrophobicContact CD-CZ 4.37Å; K585-F603 HydrophobicContact CG-CZ 4.24Å; K585-Y612 HydrophobicContact CD-CD1 4.19Å; K585-Y612 HydrophobicContact CD-CD2 3.88Å; K585-Y612 HydrophobicContact CD-CE1 3.93Å; K585-Y612 HydrophobicContact CD-CE2 3.62Å; K585-Y612 HydrophobicContact CD-CG 4.17Å; K585-L655 HydrophobicContact CB-CD1 4.28Å; K585-L655 HydrophobicContact CD-CD1 4.34Å |
| 586 | R | 88.6 | Confident | 68.7 | Low | 30 Ų | 30 | 80.3 Ų | 80.3 | 11% | 0.113 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 138 | 167.2 | -165 | 177.2 | -178.1 | -160.4 | 3.8 | 110.4 | Q588 F598 F640 Y656 | R586-Q588 PolarHBondContact O-N 3.4Å; R586-F598 HydrophobicContact CB-CD1 4.22Å; R586-F598 HydrophobicContact CB-CE1 3.88Å; R586-F598 HydrophobicContact CB-CZ 4.31Å; R586-F598 HydrophobicContact CG-CE1 4.28Å; R586-F598 HydrophobicContact CG-CZ 4.23Å; R586-F640 VanDerWaalsContact CZ-CE1 3.41Å; R586-F640 VanDerWaalsContact NH1-CZ 3.31Å; R586-Y656 PolarHBondContact N-O 3.25Å |
| 587 | A | 78.8 | Confident | 69.9 | Low | 22 Ų | 22 | 83 Ų | 83 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | trans | -64 | 132.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N597 | A587-N597 WeakPolarHBondContact CB-O 3.49Å; A587-N597 PolarHBondContact N-O 3Å | ||
| 588 | Q | 67.8 | Low | 71 | Confident | 70 Ų | 70 | 83.4 Ų | 83.4 | 33% | 0.327 | 41% | 0.405 | S | S | . | . | trans | -108.5 | 93.4 | 172.4 | -68.9 | 173.1 | -30.9 | 0 | 0 | 106.1 | R586 A654 | R586-Q588 PolarHBondContact O-N 3.4Å; Q588-A654 PolarHBondContact NE2-O 3.47Å | ||
| 589 | G | 58.5 | Low | 72.4 | Confident | 46 Ų | 46 | 85 Ų | 85 | 47% | 0.474 | 41% | 0.409 | S | S | . | . | trans | -143.9 | 145.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 590 | R | 51.7 | Low | 73.2 | Confident | 248 Ų | 248 | 88.6 Ų | 88.6 | 94% | 0.936 | 43% | 0.425 | S | S | * | . | trans | -85.2 | 5.2 | -168.1 | -76.4 | -175.6 | 176.2 | 174.3 | -0.4 | 116 | R592 | R590-R592 PolarHBondContact O-N 3.3Å; R590-R592 VanDerWaalsContact O-N 3.15Å | ||
| 591 | N | 46.2 | Very low | 73.5 | Confident | 134 Ų | 134 | 87.1 Ų | 87.1 | 72% | 0.717 | 42% | 0.416 | S | S | * | . | trans | -74.3 | 113.9 | -178.9 | -73.3 | 7.6 | 0 | 0 | 0 | 110.1 | F593 G594 | N591-F593 PolarHBondContact O-N 2.88Å; N591-G594 PolarHBondContact O-N 3.09Å | ||
| 592 | R | 50.3 | Low | 73.9 | Confident | 238 Ų | 238 | 87.9 Ų | 87.9 | 90% | 0.898 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -12.1 | 175.2 | -73.3 | -177.7 | 176.2 | 179.7 | -1.6 | 113.8 | R590 | R590-R592 PolarHBondContact O-N 3.3Å; R590-R592 VanDerWaalsContact O-N 3.15Å |
| 593 | F | 50 | Low | 74 | Confident | 202 Ų | 202 | 84.4 Ų | 84.4 | 89% | 0.886 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.8 | 6.1 | -176 | -58.4 | -77.3 | 0 | 0 | 0 | 114.9 | N591 | N591-F593 PolarHBondContact O-N 2.88Š|
| 594 | G | 47.3 | Very low | 73.6 | Confident | 43 Ų | 43 | 88.8 Ų | 88.8 | 44% | 0.443 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -94.3 | 131.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N591 K596 | N591-G594 PolarHBondContact O-N 3.09Å; G594-K596 PolarHBondContact O-N 3.19Å |
| 595 | I | 52.4 | Low | 73 | Confident | 150 Ų | 150 | 86.6 Ų | 86.6 | 77% | 0.769 | 41% | 0.405 | S | S | * | . | trans | -62.3 | 119.6 | 171.8 | -56.5 | 174.2 | 0 | 0 | 0 | 108.6 | N597 | I595-N597 WeakPolarHBondContact CG2-OD1 3.41Å; I595-N597 PolarHBondContact O-N 2.67Å | ||
| 596 | K | 63.5 | Low | 71.9 | Confident | 81 Ų | 81 | 86 Ų | 86 | 35% | 0.352 | 40% | 0.403 | S | S | . | . | trans | -72.7 | 93.4 | 177.4 | -70.2 | -178.6 | -177.2 | 173.1 | 0 | 109.7 | G594 | G594-K596 PolarHBondContact O-N 3.19Š| ||
| 597 | N | 74.8 | Confident | 70.7 | Confident | 92 Ų | 92 | 86.9 Ų | 86.9 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | trans | -81.7 | 153.7 | 179.5 | -66.8 | -23.6 | 0 | 0 | 0 | 112.9 | A587 I595 | A587-N597 WeakPolarHBondContact CB-O 3.49Å; A587-N597 PolarHBondContact N-O 3Å; I595-N597 WeakPolarHBondContact CG2-OD1 3.41Å; I595-N597 PolarHBondContact O-N 2.67Å | ||
| 598 | F | 86.9 | Confident | 70.1 | Confident | 68 Ų | 68 | 89.4 Ų | 89.4 | 30% | 0.298 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 141.8 | 169.3 | -75.3 | -91.8 | 0 | 0 | 0 | 110.3 | I584 K585 R586 F640 M642 M645 | I584-F598 HydrophobicContact CG2-CB 3.64Å; I584-F598 HydrophobicContact CG2-CD1 4.07Å; I584-F598 HydrophobicContact CG2-CG 4.32Å; K585-F598 WeakPolarHBondContact O-CA 3.33Å; R586-F598 HydrophobicContact CB-CD1 4.22Å; R586-F598 HydrophobicContact CB-CE1 3.88Å; R586-F598 HydrophobicContact CB-CZ 4.31Å; R586-F598 HydrophobicContact CG-CE1 4.28Å; R586-F598 HydrophobicContact CG-CZ 4.23Å; F598-F640 HydrophobicContact CE2-CD1 4.43Å; F598-F640 HydrophobicContact CZ-CB 4.14Å; F598-F640 AromaticContact CZ-CD1 3.95Å; F598-F640 HydrophobicContact CZ-CD1 3.95Å; F598-F640 HydrophobicContact CZ-CD2 4.18Å; F598-F640 HydrophobicContact CZ-CE1 4.46Å; F598-F640 AromaticContact CZ-CG 3.82Å; F598-F640 HydrophobicContact CZ-CG 3.82Å; F598-M642 HydrophobicContact CD1-SD 4.16Å; F598-M642 HydrophobicContact CD2-SD 4.13Å; F598-M642 HydrophobicContact CE1-SD 3.82Å; F598-M642 HydrophobicContact CE2-SD 3.79Å; F598-M642 HydrophobicContact CG-SD 4.31Å; F598-M642 HydrophobicContact CZ-SD 3.62Å; F598-M645 HydrophobicContact CE1-CE 4.15Å; F598-M645 HydrophobicContact CE1-SD 4.4Å |
| 599 | K | 89.4 | Confident | 70.6 | Confident | 96 Ų | 96 | 89.4 Ų | 89.4 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 128.1 | -177.1 | -60.7 | -168.8 | -178.9 | -176.2 | 0 | 111.2 | K585 | K585-K599 PolarHBondContact N-O 2.63Å; K585-K599 PolarHBondContact O-N 3.35Å |
| 600 | K | 91.6 | Very high | 72.1 | Confident | 123 Ų | 123 | 87.2 Ų | 87.2 | 54% | 0.535 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 131.7 | 170.7 | -168.4 | 172.4 | -175.9 | 173.6 | 0 | 110.2 | F582 M583 I584 | F582-K600 HydrophobicContact CB-CG 4.42Å; F582-K600 HydrophobicContact CD1-CD 4.41Å; F582-K600 HydrophobicContact CD1-CG 4.04Å; M583-K600 CarbonylContact O-C 3.52Å; M583-K600 WeakPolarHBondContact O-CA 3.28Å; I584-K600 HydrophobicContact CG1-CB 4.4Å |
| 601 | R | 93.1 | Very high | 74 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 16% | 0.162 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 152.8 | -177.3 | -68.6 | -65.1 | 179.9 | -100.3 | 12 | 110.2 | F582 M583 K585 F603 Y612 H613 | F582-R601 WeakPolarHBondContact CA-O 3.49Å; M583-R601 PolarHBondContact N-O 2.95Å; M583-R601 PolarHBondContact O-N 2.95Å; M583-R601 VanDerWaalsContact O-O 3.12Å; K585-R601 HydrophobicContact CD-CG 4.01Å; K585-R601 HydrophobicContact CG-CB 4.42Å; K585-R601 HydrophobicContact CG-CG 3.8Å; R601-F603 HydrophobicContact CB-CD2 4.24Å; R601-F603 HydrophobicContact CB-CE2 3.8Å; R601-Y612 HydrophobicContact CG-CD2 4.25Å; R601-H613 WeakPolarHBondContact CB-O 3.36Å; R601-H613 WeakPolarHBondContact CD-O 3.2Å |
| 602 | W | 91.3 | Very high | 76.2 | Confident | 29 Ų | 29 | 70.2 Ų | 70.2 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 117.9 | 172.2 | -177.4 | -101.8 | 0 | 0 | 0 | 108.8 | E580 F582 Y612 H613 K616 | E580-W602 HydrophobicContact CB-CZ2 3.76Å; E580-W602 HydrophobicContact CG-CH2 4.27Å; E580-W602 HydrophobicContact CG-CZ2 3.67Å; E580-W602 WeakPolarHBondContact OE1-CZ2 3.22Å; F582-W602 HydrophobicContact CD1-CB 4.34Å; F582-W602 AromaticContact CD1-CE3 3.95Å; F582-W602 HydrophobicContact CD1-CE3 3.95Å; F582-W602 AromaticContact CD2-CE3 3.44Å; F582-W602 HydrophobicContact CD2-CE3 3.44Å; F582-W602 VanDerWaalsContact CD2-CE3 3.44Å; F582-W602 AromaticContact CD2-CZ3 3.49Å; F582-W602 HydrophobicContact CD2-CZ3 3.49Å; F582-W602 VanDerWaalsContact CD2-CZ3 3.49Å; F582-W602 HydrophobicContact CE1-CB 4.06Å; F582-W602 AromaticContact CE1-CE3 3.93Å; F582-W602 HydrophobicContact CE1-CE3 3.93Å; F582-W602 AromaticContact CE2-CE3 3.41Å; F582-W602 HydrophobicContact CE2-CE3 3.41Å; F582-W602 VanDerWaalsContact CE2-CE3 3.41Å; F582-W602 AromaticContact CE2-CZ3 3.55Å; F582-W602 HydrophobicContact CE2-CZ3 3.55Å; F582-W602 AromaticContact CG-CE3 3.71Å; F582-W602 HydrophobicContact CG-CE3 3.71Å; F582-W602 HydrophobicContact CG-CZ3 4.14Å; F582-W602 AromaticContact CZ-CE3 3.66Å; F582-W602 HydrophobicContact CZ-CE3 3.66Å; F582-W602 HydrophobicContact CZ-CZ3 4.25Å; W602-Y612 CarbonylContact O-C 3.57Å; W602-Y612 VanDerWaalsContact O-CA 3.29Å; W602-Y612 WeakPolarHBondContact O-CA 3.45Å; W602-H613 HydrophobicContact CB-CB 4.32Å; W602-H613 PolarHBondContact N-O 2.85Å; W602-H613 PolarHBondContact O-N 3.47Å; W602-K616 HydrophobicContact CD2-CB 4.12Å; W602-K616 HydrophobicContact CD2-CG 4.43Å; W602-K616 HydrophobicContact CG-CB 4.3Å; W602-K616 HydrophobicContact CH2-CD 4.05Å; W602-K616 HydrophobicContact CZ2-CB 4.49Å; W602-K616 HydrophobicContact CZ2-CD 3.65Å; W602-K616 HydrophobicContact CZ2-CG 4.01Å |
| 603 | F | 93 | Very high | 78.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 147 | 178.6 | -76.1 | -99 | 0 | 0 | 0 | 110.5 | E580 G581 M583 K585 R601 F610 T611 Y612 L655 I657 W668 | E580-F603 CarbonylContact C-O 3.19Å; E580-F603 WeakPolarHBondContact CA-O 3.38Å; G581-F603 PolarHBondContact N-O 3.27Å; G581-F603 PolarHBondContact O-N 3.21Å; M583-F603 HydrophobicContact CB-CD2 3.63Å; M583-F603 HydrophobicContact CB-CE2 3.66Å; M583-F603 HydrophobicContact CE-CB 3.48Å; M583-F603 VanDerWaalsContact CE-CB 3.48Å; M583-F603 HydrophobicContact CE-CD1 3.78Å; M583-F603 HydrophobicContact CE-CD2 3.64Å; M583-F603 HydrophobicContact CE-CE1 4.36Å; M583-F603 HydrophobicContact CE-CE2 4.25Å; M583-F603 HydrophobicContact CE-CG 3.35Å; M583-F603 HydrophobicContact CG-CD2 4.29Å; K585-F603 HydrophobicContact CB-CZ 4.04Å; K585-F603 HydrophobicContact CD-CZ 4.37Å; K585-F603 HydrophobicContact CG-CZ 4.24Å; R601-F603 HydrophobicContact CB-CD2 4.24Å; R601-F603 HydrophobicContact CB-CE2 3.8Å; F603-F610 HydrophobicContact CB-CE2 4.19Å; F603-F610 AromaticContact CD1-CE1 3.99Å; F603-F610 HydrophobicContact CD1-CE1 3.99Å; F603-F610 AromaticContact CD1-CE2 3.63Å; F603-F610 HydrophobicContact CD1-CE2 3.63Å; F603-F610 AromaticContact CD1-CZ 3.25Å; F603-F610 HydrophobicContact CD1-CZ 3.25Å; F603-F610 HydrophobicContact CE1-CE1 4.06Å; F603-F610 HydrophobicContact CE1-CE2 4.48Å; F603-F610 AromaticContact CE1-CZ 3.7Å; F603-F610 HydrophobicContact CE1-CZ 3.7Å; F603-F610 HydrophobicContact CG-CE2 4.36Å; F603-F610 HydrophobicContact CG-CZ 4.24Å; F603-T611 WeakPolarHBondContact CA-O 3.38Å; F603-Y612 AromaticContact CE1-CD1 3.89Å; F603-Y612 HydrophobicContact CE1-CD1 3.89Å; F603-Y612 HydrophobicContact CE1-CG 4.06Å; F603-Y612 HydrophobicContact CZ-CD1 4.34Å; F603-Y612 HydrophobicContact CZ-CG 4.29Å; F603-L655 HydrophobicContact CE1-CD2 4.38Å; F603-I657 HydrophobicContact CE1-CD1 3.76Å; F603-I657 HydrophobicContact CE1-CG1 4.46Å; F603-I657 HydrophobicContact CE2-CG2 4.42Å; F603-I657 HydrophobicContact CZ-CD1 4.07Å; F603-I657 HydrophobicContact CZ-CG1 4.3Å; F603-I657 HydrophobicContact CZ-CG2 4.18Å; F603-W668 HydrophobicContact CB-CH2 4.01Å; F603-W668 HydrophobicContact CB-CZ2 4.27Å |
| 604 | R | 85.4 | Confident | 80.1 | Confident | 91 Ų | 91 | 55.8 Ų | 55.8 | 34% | 0.343 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 129.2 | 176.4 | 174.1 | -176.7 | 174.2 | -177 | -1.6 | 108.5 | T606 T611 | R604-T606 HydrophobicContact CG-CG2 4.4Å; R604-T611 PolarHBondContact N-O 2.98Å; R604-T611 PolarHBondContact O-N 3.27Å; R604-T611 PolarHBondContact O-OG1 3.5Å |
| 605 | L | 80.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.5 | 172.9 | 178.7 | 63.6 | 0 | 0 | 0 | 109.8 | L578 K579 F610 I626 W668 I671 L672 V675 | L578-L605 HydrophobicContact CB-CD2 4.28Å; L578-L605 HydrophobicContact CB-CG 4.16Å; L578-L605 HydrophobicContact CD1-CD2 4.41Å; L578-L605 HydrophobicContact CD1-CG 4.26Å; L578-L605 PolarHBondContact N-O 3.07Å; K579-L605 PolarHBondContact N-O 3.24Å; K579-L605 PolarHBondContact O-N 3.25Å; L605-F610 HydrophobicContact CB-CD2 4.08Å; L605-F610 HydrophobicContact CD1-CB 3.83Å; L605-F610 HydrophobicContact CD1-CD2 4Å; L605-F610 HydrophobicContact CD1-CG 4.3Å; L605-I626 HydrophobicContact CD1-CD1 3.68Å; L605-W668 HydrophobicContact CB-CZ3 3.86Å; L605-I671 HydrophobicContact CD2-CB 4.2Å; L605-I671 HydrophobicContact CD2-CD1 4.18Å; L605-I671 HydrophobicContact CD2-CG1 3.85Å; L605-I671 HydrophobicContact CD2-CG2 3.51Å; L605-L672 HydrophobicContact CD1-CD2 3.58Å; L605-L672 HydrophobicContact CD2-CD2 3.8Å; L605-L672 HydrophobicContact CD2-CG 4.14Å; L605-L672 HydrophobicContact CG-CD2 4.25Å; L605-V675 HydrophobicContact CD1-CG2 4.27Å; L605-V675 HydrophobicContact CD2-CG1 4.47Å; L605-V675 HydrophobicContact CD2-CG2 4.42Å |
| 606 | T | 69.4 | Low | 83.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 174.6 | 169.8 | 67.8 | 0 | 0 | 0 | 0 | 110.6 | P575 I576 R604 H608 E609 | P575-T606 HydrophobicContact CB-CG2 3.97Å; I576-T606 CarbonylContact O-C 3.46Å; I576-T606 WeakPolarHBondContact O-CA 3.49Å; I576-T606 VanDerWaalsContact O-CB 3.23Å; I576-T606 WeakPolarHBondContact O-CB 3.4Å; R604-T606 HydrophobicContact CG-CG2 4.4Å; T606-H608 PolarHBondContact O-N 3.19Å; T606-H608 PolarHBondContact OG1-N 2.98Å; T606-E609 PolarHBondContact N-O 3.35Å; T606-E609 PolarHBondContact OG1-N 2.94Å; T606-E609 PolarHBondContact OG1-O 3.04Å |
| 607 | N | 62.8 | Low | 83.8 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -68.5 | -8.4 | 170.3 | 64 | -46.1 | 0 | 0 | 0 | 114 | P575 I576 L578 | P575-N607 VanDerWaalsContact CA-OD1 3.22Å; P575-N607 WeakPolarHBondContact CA-OD1 3.43Å; I576-N607 PolarHBondContact N-OD1 3.03Å; I576-N607 PolarHBondContact O-N 2.85Å; L578-N607 HydrophobicContact CD1-CB 4.36Å |
| 608 | H | 65.8 | Low | 84.1 | Confident | 75 Ų | 75 | 55 Ų | 55 | 35% | 0.347 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -110.5 | -35.3 | 178.3 | -60 | -102 | 0 | 0 | 0 | 113.6 | I572 E573 P575 T606 I626 | I572-H608 PolarHBondContact O-CE1 2.88Å; I572-H608 PolarHBondContact O-NE2 2.83Å; E573-H608 PolarHBondContact O-CE1 3.02Å; P575-H608 WeakPolarHBondContact CA-CD2 3.37Å; T606-H608 PolarHBondContact O-N 3.19Å; T606-H608 PolarHBondContact OG1-N 2.98Å; H608-I626 VanDerWaalsContact C-CG1 3.49Å; H608-I626 WeakPolarHBondContact O-CG1 3.42Å; H608-I626 PolarHBondContact O-N 2.94Å |
| 609 | E | 79.8 | Confident | 83.8 | Confident | 69 Ų | 69 | 54.8 Ų | 54.8 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 153.1 | -175 | 57.5 | 174.7 | -156 | 0 | 0 | 113.5 | T606 T611 S623 I624 | T606-E609 PolarHBondContact N-O 3.35Å; T606-E609 PolarHBondContact OG1-N 2.94Å; T606-E609 PolarHBondContact OG1-O 3.04Å; E609-T611 HydrophobicContact CB-CG2 4.48Å; E609-T611 HydrophobicContact CG-CG2 4.05Å; E609-T611 WeakPolarHBondContact OE1-CG2 3.21Å; E609-S623 WeakPolarHBondContact CB-OG 3.48Å; E609-S623 VanDerWaalsContact CD-OG 3.29Å; E609-S623 PolarHBondContact OE2-OG 3.22Å; E609-I624 CarbonylContact C-O 3.5Å; E609-I624 WeakPolarHBondContact CA-O 3.43Å |
| 610 | F | 89.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 117.3 | 168 | 179.9 | -128.2 | 0 | 0 | 0 | 109.5 | M583 F603 L605 I624 I629 V648 L655 I657 W668 L672 | M583-F610 HydrophobicContact CE-CE2 4.48Å; M583-F610 HydrophobicContact CE-CZ 4.23Å; F603-F610 HydrophobicContact CB-CE2 4.19Å; F603-F610 AromaticContact CD1-CE1 3.99Å; F603-F610 HydrophobicContact CD1-CE1 3.99Å; F603-F610 AromaticContact CD1-CE2 3.63Å; F603-F610 HydrophobicContact CD1-CE2 3.63Å; F603-F610 AromaticContact CD1-CZ 3.25Å; F603-F610 HydrophobicContact CD1-CZ 3.25Å; F603-F610 HydrophobicContact CE1-CE1 4.06Å; F603-F610 HydrophobicContact CE1-CE2 4.48Å; F603-F610 AromaticContact CE1-CZ 3.7Å; F603-F610 HydrophobicContact CE1-CZ 3.7Å; F603-F610 HydrophobicContact CG-CE2 4.36Å; F603-F610 HydrophobicContact CG-CZ 4.24Å; L605-F610 HydrophobicContact CB-CD2 4.08Å; L605-F610 HydrophobicContact CD1-CB 3.83Å; L605-F610 HydrophobicContact CD1-CD2 4Å; L605-F610 HydrophobicContact CD1-CG 4.3Å; F610-I624 HydrophobicContact CB-CB 4.47Å; F610-I624 HydrophobicContact CD1-CD1 4.18Å; F610-I624 PolarHBondContact N-O 3.47Å; F610-I624 WeakPolarHBondContact O-CB 3.44Å; F610-I624 PolarHBondContact O-N 3.05Å; F610-I629 HydrophobicContact CB-CD1 4.13Å; F610-V648 HydrophobicContact CE1-CG2 4.01Å; F610-L655 HydrophobicContact CE1-CD2 4.38Å; F610-I657 HydrophobicContact CE1-CD1 3.85Å; F610-I657 HydrophobicContact CZ-CD1 3.94Å; F610-W668 HydrophobicContact CD2-CZ3 4.41Å; F610-W668 HydrophobicContact CE2-CE3 4.15Å; F610-W668 HydrophobicContact CE2-CH2 4.47Å; F610-W668 AromaticContact CE2-CZ3 3.71Å; F610-W668 HydrophobicContact CE2-CZ3 3.71Å; F610-L672 HydrophobicContact CB-CD2 4.11Å; F610-L672 HydrophobicContact CD1-CD2 4.07Å; F610-L672 HydrophobicContact CD2-CD2 3.69Å; F610-L672 HydrophobicContact CE1-CD1 4.25Å; F610-L672 HydrophobicContact CE1-CD2 4.39Å; F610-L672 HydrophobicContact CE2-CD1 4.22Å; F610-L672 HydrophobicContact CE2-CD2 4.01Å; F610-L672 HydrophobicContact CG-CD2 3.69Å; F610-L672 HydrophobicContact CZ-CD1 3.97Å; F610-L672 HydrophobicContact CZ-CD2 4.34Å |
| 611 | T | 91.6 | Very high | 83.5 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 156 | -172.5 | 48.5 | 0 | 0 | 0 | 0 | 112 | F603 R604 E609 H613 A620 C622 S623 | F603-T611 WeakPolarHBondContact CA-O 3.38Å; R604-T611 PolarHBondContact N-O 2.98Å; R604-T611 PolarHBondContact O-N 3.27Å; R604-T611 PolarHBondContact O-OG1 3.5Å; E609-T611 HydrophobicContact CB-CG2 4.48Å; E609-T611 HydrophobicContact CG-CG2 4.05Å; E609-T611 WeakPolarHBondContact OE1-CG2 3.21Å; T611-H613 PolarHBondContact OG1-NE2 3.25Å; T611-A620 HydrophobicContact CG2-CB 4.2Å; T611-C622 WeakPolarHBondContact CA-O 3.31Å; T611-S623 WeakPolarHBondContact CG2-OG 3.47Å |
| 612 | Y | 92.9 | Very high | 83.3 | Confident | 23 Ų | 23 | 51 Ų | 51 | 9% | 0.09 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 146.3 | 166.5 | 67.3 | -101.4 | 0 | 0 | 0 | 113.1 | K585 R601 W602 F603 L621 C622 L655 | K585-Y612 HydrophobicContact CD-CD1 4.19Å; K585-Y612 HydrophobicContact CD-CD2 3.88Å; K585-Y612 HydrophobicContact CD-CE1 3.93Å; K585-Y612 HydrophobicContact CD-CE2 3.62Å; K585-Y612 HydrophobicContact CD-CG 4.17Å; R601-Y612 HydrophobicContact CG-CD2 4.25Å; W602-Y612 CarbonylContact O-C 3.57Å; W602-Y612 VanDerWaalsContact O-CA 3.29Å; W602-Y612 WeakPolarHBondContact O-CA 3.45Å; F603-Y612 AromaticContact CE1-CD1 3.89Å; F603-Y612 HydrophobicContact CE1-CD1 3.89Å; F603-Y612 HydrophobicContact CE1-CG 4.06Å; F603-Y612 HydrophobicContact CZ-CD1 4.34Å; F603-Y612 HydrophobicContact CZ-CG 4.29Å; Y612-L621 HydrophobicContact CD2-CB 3.91Å; Y612-L621 HydrophobicContact CD2-CD1 4.27Å; Y612-L621 HydrophobicContact CE2-CB 3.68Å; Y612-L621 HydrophobicContact CE2-CD1 4.26Å; Y612-L621 WeakPolarHBondContact O-CB 3.3Å; Y612-L621 PolarHBondContact O-N 3.36Å; Y612-C622 HydrophobicContact CD1-CB 3.88Å; Y612-C622 HydrophobicContact CD2-CB 4.48Å; Y612-C622 HydrophobicContact CE1-CB 3.24Å; Y612-C622 HydrophobicContact CE2-CB 3.92Å; Y612-C622 HydrophobicContact CG-CB 4.46Å; Y612-C622 PolarHBondContact N-O 2.8Å; Y612-C622 WeakPolarHBondContact OH-CB 3.39Å; Y612-L655 HydrophobicContact CD1-CD2 4.32Å; Y612-L655 HydrophobicContact CE1-CD2 4.17Å |
| 613 | H | 92.7 | Very high | 83.3 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 159.8 | -171.4 | -51.5 | -106.9 | 0 | 0 | 0 | 109.6 | R601 W602 T611 T615 E618 G619 A620 | R601-H613 WeakPolarHBondContact CB-O 3.36Å; R601-H613 WeakPolarHBondContact CD-O 3.2Å; W602-H613 HydrophobicContact CB-CB 4.32Å; W602-H613 PolarHBondContact N-O 2.85Å; W602-H613 PolarHBondContact O-N 3.47Å; T611-H613 PolarHBondContact OG1-NE2 3.25Å; H613-T615 WeakPolarHBondContact CB-O 3.47Å; H613-E618 PolarHBondContact ND1-O 3.07Å; H613-G619 VanDerWaalsContact ND1-C 3.32Å; H613-G619 PolarHBondContact ND1-O 2.89Å; H613-A620 WeakPolarHBondContact ND1-CA 3.48Å; H613-A620 PolarHBondContact ND1-N 2.85Å |
| 614 | K | 88.1 | Confident | 83.2 | Confident | 121 Ų | 121 | 52.2 Ų | 52.2 | 53% | 0.526 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -66 | -45.2 | 176 | -166.7 | -176.4 | 176.9 | -171.7 | 0 | 110.8 | E618 L621 | K614-E618 VanDerWaalsContact CB-OE2 3.28Å; K614-E618 WeakPolarHBondContact CB-OE2 3.39Å; K614-L621 HydrophobicContact CB-CD1 4.22Å |
| 615 | T | 85.8 | Confident | 83.1 | Confident | 58 Ų | 58 | 49.9 Ų | 49.9 | 36% | 0.356 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -144.6 | 172.1 | 179 | 61.1 | 0 | 0 | 0 | 0 | 109.3 | H613 G617 E618 | H613-T615 WeakPolarHBondContact CB-O 3.47Å; T615-G617 PolarHBondContact O-N 2.84Å; T615-E618 VanDerWaalsContact OG1-CG 3.31Å; T615-E618 WeakPolarHBondContact OG1-CG 3.46Å; T615-E618 PolarHBondContact OG1-OE1 2.88Å |
| 616 | K | 82.8 | Confident | 83 | Confident | 119 Ų | 119 | 50.8 Ų | 50.8 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 128.1 | 178.1 | -173.5 | 171.9 | -170.2 | 158.4 | 0 | 110 | E580 W602 | E580-K616 IonicContact OE1-NZ 2.92Å; E580-K616 PolarHBondContact OE1-NZ 3.08Å; W602-K616 HydrophobicContact CD2-CB 4.12Å; W602-K616 HydrophobicContact CD2-CG 4.43Å; W602-K616 HydrophobicContact CG-CB 4.3Å; W602-K616 HydrophobicContact CH2-CD 4.05Å; W602-K616 HydrophobicContact CZ2-CB 4.49Å; W602-K616 HydrophobicContact CZ2-CD 3.65Å; W602-K616 HydrophobicContact CZ2-CG 4.01Å |
| 617 | G | 72 | Confident | 83.4 | Confident | 82 Ų | 82 | 57 Ų | 57 | 85% | 0.845 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | -5.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | T615 | T615-G617 PolarHBondContact O-N 2.84Š|
| 618 | E | 82.6 | Confident | 84.6 | Confident | 91 Ų | 91 | 57 Ų | 57 | 43% | 0.425 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -84 | 166.2 | 172 | -77 | -176.2 | -149.6 | 0 | 0 | 112.3 | H613 K614 T615 | H613-E618 PolarHBondContact ND1-O 3.07Å; K614-E618 VanDerWaalsContact CB-OE2 3.28Å; K614-E618 WeakPolarHBondContact CB-OE2 3.39Å; T615-E618 VanDerWaalsContact OG1-CG 3.31Å; T615-E618 WeakPolarHBondContact OG1-CG 3.46Å; T615-E618 PolarHBondContact OG1-OE1 2.88Å |
| 619 | G | 80.6 | Confident | 85.6 | Confident | 62 Ų | 62 | 53.5 Ų | 53.5 | 64% | 0.639 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 152 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H613 L621 | H613-G619 VanDerWaalsContact ND1-C 3.32Å; H613-G619 PolarHBondContact ND1-O 2.89Å; G619-L621 PolarHBondContact O-N 2.56Å |
| 620 | A | 86.8 | Confident | 85.9 | Confident | 54 Ų | 54 | 51.3 Ų | 51.3 | 45% | 0.446 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 127.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T611 H613 C622 | T611-A620 HydrophobicContact CG2-CB 4.2Å; H613-A620 WeakPolarHBondContact ND1-CA 3.48Å; H613-A620 PolarHBondContact ND1-N 2.85Å; A620-C622 VanDerWaalsContact C-N 3.32Å |
| 621 | L | 87.9 | Confident | 85.7 | Confident | 98 Ų | 98 | 51.3 Ų | 51.3 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -24.5 | 172.7 | -66.1 | 175.4 | 0 | 0 | 0 | 111.8 | Y612 K614 G619 | Y612-L621 HydrophobicContact CD2-CB 3.91Å; Y612-L621 HydrophobicContact CD2-CD1 4.27Å; Y612-L621 HydrophobicContact CE2-CB 3.68Å; Y612-L621 HydrophobicContact CE2-CD1 4.26Å; Y612-L621 WeakPolarHBondContact O-CB 3.3Å; Y612-L621 PolarHBondContact O-N 3.36Å; K614-L621 HydrophobicContact CB-CD1 4.22Å; G619-L621 PolarHBondContact O-N 2.56Å |
| 622 | C | 89.3 | Confident | 85.6 | Confident | 31 Ų | 31 | 51.2 Ų | 51.2 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 140.3 | 178.2 | 177 | 0 | 0 | 0 | 0 | 107.9 | T611 Y612 A620 | T611-C622 WeakPolarHBondContact CA-O 3.31Å; Y612-C622 HydrophobicContact CD1-CB 3.88Å; Y612-C622 HydrophobicContact CD2-CB 4.48Å; Y612-C622 HydrophobicContact CE1-CB 3.24Å; Y612-C622 HydrophobicContact CE2-CB 3.92Å; Y612-C622 HydrophobicContact CG-CB 4.46Å; Y612-C622 PolarHBondContact N-O 2.8Å; Y612-C622 WeakPolarHBondContact OH-CB 3.39Å; A620-C622 VanDerWaalsContact C-N 3.32Å |
| 623 | S | 90.4 | Very high | 85.4 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 130.2 | 168.2 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | E609 T611 | E609-S623 WeakPolarHBondContact CB-OG 3.48Å; E609-S623 VanDerWaalsContact CD-OG 3.29Å; E609-S623 PolarHBondContact OE2-OG 3.22Å; T611-S623 WeakPolarHBondContact CG2-OG 3.47Å |
| 624 | I | 89.8 | Confident | 85.2 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 105.3 | 175.5 | -52.9 | 174 | 0 | 0 | 0 | 106.4 | E609 F610 N628 I629 Q650 L655 | E609-I624 CarbonylContact C-O 3.5Å; E609-I624 WeakPolarHBondContact CA-O 3.43Å; F610-I624 HydrophobicContact CB-CB 4.47Å; F610-I624 HydrophobicContact CD1-CD1 4.18Å; F610-I624 PolarHBondContact N-O 3.47Å; F610-I624 WeakPolarHBondContact O-CB 3.44Å; F610-I624 PolarHBondContact O-N 3.05Å; I624-N628 HydrophobicContact CG2-CB 4.35Å; I624-I629 HydrophobicContact CG2-CG1 3.89Å; I624-Q650 VanDerWaalsContact CG1-OE1 3.29Å; I624-Q650 HydrophobicContact CG2-CB 4.48Å; I624-L655 HydrophobicContact CD1-CD2 3.9Å |
| 625 | P | 83.5 | Confident | 85.3 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 142.8 | 172 | -26.8 | 35.5 | 0 | 0 | 0 | 111 | E627 N628 | P625-E627 HydrophobicContact CB-CG 3.66Å; P625-E627 PolarHBondContact O-N 3.1Å; P625-N628 HydrophobicContact CB-CB 4.46Å; P625-N628 WeakPolarHBondContact O-CA 3.16Å; P625-N628 WeakPolarHBondContact O-CB 3.41Å; P625-N628 PolarHBondContact O-N 3.48Å |
| 626 | I | 79.1 | Confident | 85.2 | Confident | 18 Ų | 18 | 50.9 Ų | 50.9 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -57.7 | -35.2 | -179.9 | -66.2 | -45.8 | 0 | 0 | 0 | 111.6 | L605 H608 N628 I629 V675 | L605-I626 HydrophobicContact CD1-CD1 3.68Å; H608-I626 VanDerWaalsContact C-CG1 3.49Å; H608-I626 WeakPolarHBondContact O-CG1 3.42Å; H608-I626 PolarHBondContact O-N 2.94Å; I626-N628 PolarHBondContact O-N 3.18Å; I626-I629 HydrophobicContact CD1-CD1 3.74Å; I626-I629 WeakPolarHBondContact O-CB 3.35Å; I626-I629 PolarHBondContact O-N 3.21Å; I626-V675 HydrophobicContact CD1-CB 4.24Å; I626-V675 HydrophobicContact CD1-CG2 3.65Å; I626-V675 HydrophobicContact CG1-CB 4.4Å; I626-V675 HydrophobicContact CG1-CG2 4.3Å; I626-V675 HydrophobicContact CG2-CB 4.04Å; I626-V675 HydrophobicContact CG2-CG2 4.13Å; I626-V675 WeakPolarHBondContact CG2-O 3.29Å |
| 627 | E | 76.7 | Confident | 85.1 | Confident | 132 Ų | 132 | 49.2 Ų | 49.2 | 62% | 0.617 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -62.5 | -16.2 | 173.5 | 59.6 | 175.5 | -154.4 | 0 | 0 | 114.7 | P625 N679 | P625-E627 HydrophobicContact CB-CG 3.66Å; P625-E627 PolarHBondContact O-N 3.1Å; E627-N679 VanDerWaalsContact C-ND2 3.33Å; E627-N679 PolarHBondContact O-ND2 2.8Å; E627-N679 PolarHBondContact O-OD1 3.09Å |
| 628 | N | 87.9 | Confident | 85.4 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -100.1 | -0.4 | 176.8 | -70.1 | -25.8 | 0 | 0 | 0 | 112.5 | I624 P625 I626 L630 Q650 P651 | I624-N628 HydrophobicContact CG2-CB 4.35Å; P625-N628 HydrophobicContact CB-CB 4.46Å; P625-N628 WeakPolarHBondContact O-CA 3.16Å; P625-N628 WeakPolarHBondContact O-CB 3.41Å; P625-N628 PolarHBondContact O-N 3.48Å; I626-N628 PolarHBondContact O-N 3.18Å; N628-L630 PolarHBondContact O-N 3.2Å; N628-Q650 WeakPolarHBondContact O-CA 3.5Å; N628-Q650 WeakPolarHBondContact O-CB 3.35Å; N628-P651 WeakPolarHBondContact O-CD 3.4Å |
| 629 | I | 86.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -83 | 105.7 | 170.6 | -59.6 | 178 | 0 | 0 | 0 | 107.8 | F610 I624 I626 V632 V648 L672 N679 | F610-I629 HydrophobicContact CB-CD1 4.13Å; I624-I629 HydrophobicContact CG2-CG1 3.89Å; I626-I629 HydrophobicContact CD1-CD1 3.74Å; I626-I629 WeakPolarHBondContact O-CB 3.35Å; I626-I629 PolarHBondContact O-N 3.21Å; I629-V632 HydrophobicContact CG2-CG2 3.39Å; I629-V648 HydrophobicContact CD1-CG1 4.44Å; I629-V648 HydrophobicContact CG1-CG1 4.13Å; I629-V648 HydrophobicContact CG2-CG1 4.06Å; I629-L672 HydrophobicContact CD1-CD2 4.14Å; I629-N679 PolarHBondContact O-ND2 3Å | ||
| 630 | L | 87.1 | Confident | 85.6 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | trans | -87.7 | -28.8 | -175.1 | -54.6 | -179.8 | 0 | 0 | 0 | 112.8 | N628 I649 P651 K681 R682 L683 | N628-L630 PolarHBondContact O-N 3.2Å; L630-I649 HydrophobicContact CB-CG2 4.39Å; L630-I649 PolarHBondContact N-O 2.68Å; L630-P651 HydrophobicContact CD1-CG 4.17Å; L630-P651 HydrophobicContact CD2-CG 4.46Å; L630-P651 HydrophobicContact CG-CG 4.45Å; L630-K681 HydrophobicContact CD2-CB 3.96Å; L630-K681 WeakPolarHBondContact CD2-O 3.26Å; L630-R682 CarbonylContact O-C 3.58Å; L630-R682 VanDerWaalsContact O-CA 3.3Å; L630-R682 WeakPolarHBondContact O-CA 3.41Å; L630-R682 WeakPolarHBondContact O-CG 3.24Å; L630-L683 HydrophobicContact CB-CD1 4.1Å; L630-L683 HydrophobicContact CB-CG 4.03Å; L630-L683 PolarHBondContact O-N 3.35Å | ||
| 631 | A | 85.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 156.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | E633 I649 | A631-E633 HydrophobicContact CB-CG 4.41Å; A631-I649 HydrophobicContact CB-CB 4.23Å; A631-I649 HydrophobicContact CB-CD1 4.05Å; A631-I649 HydrophobicContact CB-CG1 4.22Å; A631-I649 PolarHBondContact O-N 2.93Å |
| 632 | V | 88.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 112.9 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | I629 F646 Q647 V648 I669 L672 T673 | I629-V632 HydrophobicContact CG2-CG2 3.39Å; V632-F646 HydrophobicContact CG1-CD2 4.11Å; V632-F646 HydrophobicContact CG1-CE2 4.49Å; V632-Q647 WeakPolarHBondContact CA-O 3.48Å; V632-V648 HydrophobicContact CG1-CG2 4.3Å; V632-V648 HydrophobicContact CG2-CG1 4.46Å; V632-V648 HydrophobicContact CG2-CG2 4.49Å; V632-I669 HydrophobicContact CG1-CB 4.46Å; V632-I669 HydrophobicContact CG1-CG1 4.4Å; V632-I669 HydrophobicContact CG1-CG2 4.32Å; V632-L672 HydrophobicContact CB-CB 4.35Å; V632-L672 HydrophobicContact CG1-CB 3.99Å; V632-L672 HydrophobicContact CG1-CD1 4.34Å; V632-L672 HydrophobicContact CG2-CB 3.85Å; V632-T673 PolarHBondContact O-OG1 2.94Å |
| 633 | E | 89.7 | Confident | 84.6 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 154.9 | -167 | -63.3 | -63.5 | 169.4 | 0 | 0 | 111.8 | A631 F646 Q647 Y686 T713 | A631-E633 HydrophobicContact CB-CG 4.41Å; E633-F646 CarbonylContact O-C 3.51Å; E633-F646 VanDerWaalsContact O-CA 3.31Å; E633-F646 WeakPolarHBondContact O-CA 3.4Å; E633-F646 WeakPolarHBondContact O-CB 3.39Å; E633-Q647 HydrophobicContact CB-CG 4.25Å; E633-Q647 PolarHBondContact N-O 3.48Å; E633-Q647 PolarHBondContact O-N 3.45Å; E633-Y686 HydrophobicContact CB-CD2 3.63Å; E633-Y686 HydrophobicContact CB-CE1 4.31Å; E633-Y686 HydrophobicContact CB-CE2 3.32Å; E633-Y686 HydrophobicContact CB-CG 4.25Å; E633-Y686 HydrophobicContact CG-CD1 3.86Å; E633-Y686 HydrophobicContact CG-CD2 3.69Å; E633-Y686 HydrophobicContact CG-CE1 3.86Å; E633-Y686 HydrophobicContact CG-CE2 3.7Å; E633-Y686 HydrophobicContact CG-CG 3.77Å; E633-T713 PolarHBondContact OE1-N 3.04Å; E633-T713 PolarHBondContact OE1-OG1 3.19Å; E633-T713 WeakPolarHBondContact OE2-CB 3.27Å; E633-T713 PolarHBondContact OE2-OG1 2.97Å |
| 634 | R | 88.6 | Confident | 84.5 | Confident | 109 Ų | 109 | 51.7 Ų | 51.7 | 41% | 0.411 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 146.5 | 170 | -73.4 | -177.5 | 173.2 | 174.7 | -2 | 109.5 | M1 P70 I669 | M1-R634 HydrophobicContact CE-CG 4.18Å; P70-R634 PolarHBondContact O-NH2 3.34Å; R634-I669 HydrophobicContact CG-CD1 3.67Å |
| 635 | L | 90.1 | Very high | 84.6 | Confident | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | trans | -109.1 | 130.6 | 174.4 | -171.9 | 80.8 | 0 | 0 | 0 | 108.7 | E637 F640 M645 Y656 P688 | L635-E637 PolarHBondContact O-N 3.41Å; L635-F640 HydrophobicContact CD2-CD2 3.59Å; L635-F640 HydrophobicContact CD2-CE2 3.46Å; L635-F640 VanDerWaalsContact CD2-CE2 3.46Å; L635-M645 HydrophobicContact CB-CB 3.96Å; L635-M645 HydrophobicContact CD2-CB 4.07Å; L635-M645 HydrophobicContact CD2-CE 4Å; L635-M645 PolarHBondContact N-O 3.27Å; L635-Y656 HydrophobicContact CD1-CD1 3.88Å; L635-Y656 HydrophobicContact CD1-CE1 3.69Å; L635-Y656 HydrophobicContact CD2-CD1 3.77Å; L635-Y656 HydrophobicContact CD2-CE1 4.31Å; L635-Y656 HydrophobicContact CD2-CG 4.46Å; L635-Y656 HydrophobicContact CG-CD1 4.45Å; L635-P688 WeakPolarHBondContact CD1-O 3.32Å | ||
| 636 | E | 84.4 | Confident | 85.1 | Confident | 92 Ų | 92 | 50 Ų | 50 | 43% | 0.43 | 23% | 0.229 | S | C | . | . | trans | -59 | 134.9 | 177.6 | -74.2 | 175.3 | 178.1 | 0 | 0 | 111.8 | E638 S639 P688 S689 | E636-E638 PolarHBondContact O-N 2.94Å; E636-S639 WeakPolarHBondContact O-CB 3.16Å; E636-S639 PolarHBondContact O-N 3.1Å; E636-S639 PolarHBondContact O-OG 3.43Å; E636-P688 HydrophobicContact CG-CB 4.1Å; E636-P688 PolarHBondContact N-O 3.46Å; E636-S689 PolarHBondContact OE2-OG 2.91Å | ||
| 637 | E | 80.1 | Confident | 85.8 | Confident | 85 Ų | 85 | 49.1 Ų | 49.1 | 40% | 0.397 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -57.3 | -34.9 | -175.1 | -63.4 | -168.6 | 175 | 0 | 0 | 112.1 | L635 S639 F640 K641 | L635-E637 PolarHBondContact O-N 3.41Å; E637-S639 PolarHBondContact O-N 3.47Å; E637-F640 PolarHBondContact O-N 3.22Å; E637-K641 WeakPolarHBondContact O-CA 3.3Å; E637-K641 PolarHBondContact O-N 3.25Å |
| 638 | E | 76.9 | Confident | 86.6 | Confident | 142 Ų | 142 | 42.9 Ų | 42.9 | 66% | 0.664 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -59.1 | -20.3 | 178.2 | -66.1 | -54.7 | 142.3 | 0 | 0 | 113.8 | E636 F640 | E636-E638 PolarHBondContact O-N 2.94Å; E638-F640 VanDerWaalsContact C-N 3.3Å; E638-F640 PolarHBondContact O-N 3.34Å |
| 639 | S | 83.6 | Confident | 86.7 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -59.3 | -41.1 | 177.6 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | E636 E637 S689 A690 L692 | E636-S639 WeakPolarHBondContact O-CB 3.16Å; E636-S639 PolarHBondContact O-N 3.1Å; E636-S639 PolarHBondContact O-OG 3.43Å; E637-S639 PolarHBondContact O-N 3.47Å; S639-S689 VanDerWaalsContact OG-CA 3.31Å; S639-S689 WeakPolarHBondContact OG-CA 3.36Å; S639-A690 PolarHBondContact OG-N 3.33Å; S639-L692 VanDerWaalsContact O-CD1 3.29Å; S639-L692 WeakPolarHBondContact O-CD1 3.45Å |
| 640 | F | 84.2 | Confident | 86.8 | Confident | 38 Ų | 38 | 42.7 Ų | 42.7 | 17% | 0.167 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.8 | -0.5 | -175.2 | -60.6 | -62.2 | 0 | 0 | 0 | 113.8 | R586 F598 L635 E637 E638 M642 M645 Y656 A690 L692 | R586-F640 VanDerWaalsContact CZ-CE1 3.41Å; R586-F640 VanDerWaalsContact NH1-CZ 3.31Å; F598-F640 HydrophobicContact CE2-CD1 4.43Å; F598-F640 HydrophobicContact CZ-CB 4.14Å; F598-F640 AromaticContact CZ-CD1 3.95Å; F598-F640 HydrophobicContact CZ-CD1 3.95Å; F598-F640 HydrophobicContact CZ-CD2 4.18Å; F598-F640 HydrophobicContact CZ-CE1 4.46Å; F598-F640 AromaticContact CZ-CG 3.82Å; F598-F640 HydrophobicContact CZ-CG 3.82Å; L635-F640 HydrophobicContact CD2-CD2 3.59Å; L635-F640 HydrophobicContact CD2-CE2 3.46Å; L635-F640 VanDerWaalsContact CD2-CE2 3.46Å; E637-F640 PolarHBondContact O-N 3.22Å; E638-F640 VanDerWaalsContact C-N 3.3Å; E638-F640 PolarHBondContact O-N 3.34Å; F640-M642 HydrophobicContact CB-CB 4.33Å; F640-M642 HydrophobicContact CB-CG 4.07Å; F640-M642 HydrophobicContact CB-SD 4.23Å; F640-M642 PolarHBondContact O-N 2.86Å; F640-M645 HydrophobicContact CD2-CE 3.85Å; F640-M645 HydrophobicContact CE2-CE 4.19Å; F640-Y656 HydrophobicContact CE2-CD1 4.21Å; F640-Y656 HydrophobicContact CE2-CD2 4.14Å; F640-Y656 AromaticContact CE2-CG 3.87Å; F640-Y656 HydrophobicContact CE2-CG 3.87Å; F640-Y656 AromaticContact CZ-CD2 3.98Å; F640-Y656 HydrophobicContact CZ-CD2 3.98Å; F640-Y656 HydrophobicContact CZ-CE2 4.31Å; F640-Y656 HydrophobicContact CZ-CG 4.2Å; F640-A690 HydrophobicContact CE1-CB 4.28Å; F640-A690 HydrophobicContact CE2-CB 3.79Å; F640-A690 HydrophobicContact CZ-CB 3.49Å; F640-A690 VanDerWaalsContact CZ-CB 3.49Å; F640-L692 HydrophobicContact CE1-CD1 4.15Å; F640-L692 HydrophobicContact CE1-CD2 4.02Å |
| 641 | K | 79.8 | Confident | 86.7 | Confident | 180 Ų | 180 | 45.6 Ų | 45.6 | 78% | 0.783 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 39.8 | -169.2 | -53.2 | -175.2 | 178.5 | -169.8 | 0 | 111.9 | E637 | E637-K641 WeakPolarHBondContact O-CA 3.3Å; E637-K641 PolarHBondContact O-N 3.25Å |
| 642 | M | 80.1 | Confident | 86.4 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 21% | 0.212 | 25% | 0.254 | C | S | . | . | trans | -128.3 | 131.6 | -179 | -62.7 | -178 | 86.9 | 0 | 0 | 109.4 | F598 F640 M645 | F598-M642 HydrophobicContact CD1-SD 4.16Å; F598-M642 HydrophobicContact CD2-SD 4.13Å; F598-M642 HydrophobicContact CE1-SD 3.82Å; F598-M642 HydrophobicContact CE2-SD 3.79Å; F598-M642 HydrophobicContact CG-SD 4.31Å; F598-M642 HydrophobicContact CZ-SD 3.62Å; F640-M642 HydrophobicContact CB-CB 4.33Å; F640-M642 HydrophobicContact CB-CG 4.07Å; F640-M642 HydrophobicContact CB-SD 4.23Å; F640-M642 PolarHBondContact O-N 2.86Å; M642-M645 HydrophobicContact CB-CG 3.78Å; M642-M645 HydrophobicContact CB-SD 4.15Å; M642-M645 WeakPolarHBondContact O-CG 3.17Å; M642-M645 HydrophobicContact SD-SD 4.46Å | ||
| 643 | K | 82.8 | Confident | 86.1 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -76.8 | 162.7 | 174.9 | -59.4 | -172.9 | 177.5 | 175.6 | 0 | 111.3 | N191 M645 Q658 | N191-K643 PolarHBondContact ND2-NZ 3.16Å; N191-K643 VanDerWaalsContact ND2-NZ 3.12Å; K643-M645 PolarHBondContact O-N 2.92Å; K643-Q658 VanDerWaalsContact O-CG 3.29Å; K643-Q658 WeakPolarHBondContact O-CG 3.43Å; K643-Q658 PolarHBondContact O-NE2 3.12Å; K643-Q658 VanDerWaalsContact O-NE2 3.09Å |
| 644 | N | 89.3 | Confident | 86.1 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 17% | 0.171 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 60.3 | 28.7 | 173.4 | -54.9 | -38.6 | 0 | 0 | 0 | 113.8 | E45 A659 N661 C662 A665 | E45-N644 PolarHBondContact OE1-ND2 3.04Å; E45-N644 PolarHBondContact OE1-OD1 3.33Å; N644-A659 PolarHBondContact O-N 2.75Å; N644-A659 VanDerWaalsContact O-N 3.09Å; N644-N661 VanDerWaalsContact CG-C 3.49Å; N644-N661 WeakPolarHBondContact ND2-CA 3.5Å; N644-C662 PolarHBondContact ND2-N 2.91Å; N644-C662 VanDerWaalsContact OD1-CA 3.23Å; N644-C662 WeakPolarHBondContact OD1-CA 3.28Å; N644-C662 WeakPolarHBondContact OD1-CB 3.44Å; N644-C662 PolarHBondContact OD1-N 3.08Å; N644-A665 HydrophobicContact CB-CB 4.07Å |
| 645 | M | 91.8 | Very high | 86.3 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 139.6 | 176.8 | -70.7 | -70.1 | -51.9 | 0 | 0 | 110.6 | F598 L635 F640 M642 K643 I657 Q658 | F598-M645 HydrophobicContact CE1-CE 4.15Å; F598-M645 HydrophobicContact CE1-SD 4.4Å; L635-M645 HydrophobicContact CB-CB 3.96Å; L635-M645 HydrophobicContact CD2-CB 4.07Å; L635-M645 HydrophobicContact CD2-CE 4Å; L635-M645 PolarHBondContact N-O 3.27Å; F640-M645 HydrophobicContact CD2-CE 3.85Å; F640-M645 HydrophobicContact CE2-CE 4.19Å; M642-M645 HydrophobicContact CB-CG 3.78Å; M642-M645 HydrophobicContact CB-SD 4.15Å; M642-M645 WeakPolarHBondContact O-CG 3.17Å; M642-M645 HydrophobicContact SD-SD 4.46Å; K643-M645 PolarHBondContact O-N 2.92Å; M645-I657 CarbonylContact C-O 3.6Å; M645-I657 VanDerWaalsContact CA-O 3.31Å; M645-I657 WeakPolarHBondContact CA-O 3.26Å; M645-I657 WeakPolarHBondContact CE-O 3.45Å; M645-Q658 HydrophobicContact CG-CG 4.26Å; M645-Q658 HydrophobicContact SD-CB 3.38Å; M645-Q658 WeakPolarHBondContact SD-CB 3.24Å; M645-Q658 HydrophobicContact SD-CG 3.63Å |
| 646 | F | 93.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 166.6 | 170.5 | 70.3 | -83.7 | 0 | 0 | 0 | 110 | M583 V632 E633 V648 I657 A659 W668 I669 L672 | M583-F646 HydrophobicContact CE-CZ 4.33Å; M583-F646 HydrophobicContact SD-CE1 3.88Å; M583-F646 HydrophobicContact SD-CZ 3.84Å; V632-F646 HydrophobicContact CG1-CD2 4.11Å; V632-F646 HydrophobicContact CG1-CE2 4.49Å; E633-F646 CarbonylContact O-C 3.51Å; E633-F646 VanDerWaalsContact O-CA 3.31Å; E633-F646 WeakPolarHBondContact O-CA 3.4Å; E633-F646 WeakPolarHBondContact O-CB 3.39Å; F646-V648 HydrophobicContact CD2-CG2 4.31Å; F646-V648 HydrophobicContact CE2-CG2 3.92Å; F646-I657 HydrophobicContact CD1-CB 4.3Å; F646-I657 HydrophobicContact CE1-CB 3.83Å; F646-I657 HydrophobicContact CE1-CG2 3.73Å; F646-I657 HydrophobicContact CE2-CB 4.18Å; F646-I657 HydrophobicContact CE2-CD1 3.92Å; F646-I657 HydrophobicContact CZ-CB 3.76Å; F646-I657 HydrophobicContact CZ-CD1 3.93Å; F646-I657 HydrophobicContact CZ-CG1 4.42Å; F646-I657 HydrophobicContact CZ-CG2 3.74Å; F646-I657 PolarHBondContact N-O 2.98Å; F646-I657 PolarHBondContact O-N 3.05Å; F646-I657 VanDerWaalsContact O-O 3.13Å; F646-A659 HydrophobicContact CE1-CB 4.38Å; F646-W668 HydrophobicContact CE1-CB 4.22Å; F646-W668 HydrophobicContact CZ-CB 3.87Å; F646-I669 HydrophobicContact CB-CD1 3.64Å; F646-I669 HydrophobicContact CB-CG1 3.65Å; F646-I669 HydrophobicContact CD1-CG1 4.33Å; F646-I669 HydrophobicContact CD2-CG1 3.9Å; F646-I669 HydrophobicContact CG-CD1 4.16Å; F646-I669 HydrophobicContact CG-CG1 3.72Å; F646-L672 HydrophobicContact CE2-CD1 3.86Å; F646-L672 HydrophobicContact CZ-CD1 4.44Å |
| 647 | Q | 93.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.7 | -179.7 | 61.2 | -172.6 | -38.1 | 0 | 0 | 111 | V632 E633 I649 L655 Y656 H687 | V632-Q647 WeakPolarHBondContact CA-O 3.48Å; E633-Q647 HydrophobicContact CB-CG 4.25Å; E633-Q647 PolarHBondContact N-O 3.48Å; E633-Q647 PolarHBondContact O-N 3.45Å; Q647-I649 HydrophobicContact CG-CG1 4.23Å; Q647-L655 WeakPolarHBondContact CA-O 3.41Å; Q647-Y656 HydrophobicContact CB-CD1 3.92Å; Q647-Y656 HydrophobicContact CB-CE1 4.13Å; Q647-H687 PolarHBondContact NE2-O 3.07Å |
| 648 | V | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 109.3 | 166.8 | -179.2 | 0 | 0 | 0 | 0 | 106.6 | F610 I629 V632 F646 A654 L655 I657 L672 | F610-V648 HydrophobicContact CE1-CG2 4.01Å; I629-V648 HydrophobicContact CD1-CG1 4.44Å; I629-V648 HydrophobicContact CG1-CG1 4.13Å; I629-V648 HydrophobicContact CG2-CG1 4.06Å; V632-V648 HydrophobicContact CG1-CG2 4.3Å; V632-V648 HydrophobicContact CG2-CG1 4.46Å; V632-V648 HydrophobicContact CG2-CG2 4.49Å; F646-V648 HydrophobicContact CD2-CG2 4.31Å; F646-V648 HydrophobicContact CE2-CG2 3.92Å; V648-A654 WeakPolarHBondContact O-CA 3.4Å; V648-L655 HydrophobicContact CB-CB 4.38Å; V648-L655 PolarHBondContact N-O 3.15Å; V648-L655 PolarHBondContact O-N 2.96Å; V648-I657 HydrophobicContact CG2-CD1 3.98Å; V648-L672 HydrophobicContact CG2-CD1 3.98Å |
| 649 | I | 90.9 | Very high | 88.3 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 127.8 | -179.8 | -49.3 | -169.1 | 0 | 0 | 0 | 108.4 | L630 A631 Q647 L683 | L630-I649 HydrophobicContact CB-CG2 4.39Å; L630-I649 PolarHBondContact N-O 2.68Å; A631-I649 HydrophobicContact CB-CB 4.23Å; A631-I649 HydrophobicContact CB-CD1 4.05Å; A631-I649 HydrophobicContact CB-CG1 4.22Å; A631-I649 PolarHBondContact O-N 2.93Å; Q647-I649 HydrophobicContact CG-CG1 4.23Å; I649-L683 HydrophobicContact CD1-CD1 4.46Å; I649-L683 HydrophobicContact CG2-CD1 3.76Å |
| 650 | Q | 89.9 | Confident | 88.4 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | trans | -138.3 | 160.5 | -179 | 58.2 | 172.8 | 9 | 0 | 0 | 109.2 | I624 N628 E652 R653 | I624-Q650 VanDerWaalsContact CG1-OE1 3.29Å; I624-Q650 HydrophobicContact CG2-CB 4.48Å; N628-Q650 WeakPolarHBondContact O-CA 3.5Å; N628-Q650 WeakPolarHBondContact O-CB 3.35Å; Q650-E652 PolarHBondContact O-N 3.41Å; Q650-E652 VanDerWaalsContact O-N 3.07Å; Q650-R653 WeakPolarHBondContact CG-O 3.49Å; Q650-R653 PolarHBondContact NE2-O 3.25Å; Q650-R653 PolarHBondContact O-N 3.22Å | ||
| 651 | P | 84.6 | Confident | 88.6 | Confident | 85 Ų | 85 | 43 Ų | 43 | 55% | 0.552 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -51.8 | -36.8 | -171.9 | -30.3 | 34.4 | 0 | 0 | 0 | 115.2 | N628 L630 | N628-P651 WeakPolarHBondContact O-CD 3.4Å; L630-P651 HydrophobicContact CD1-CG 4.17Å; L630-P651 HydrophobicContact CD2-CG 4.46Å; L630-P651 HydrophobicContact CG-CG 4.45Å |
| 652 | E | 79.8 | Confident | 88.8 | Confident | 181 Ų | 181 | 34.9 Ų | 34.9 | 85% | 0.846 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -80.9 | -53.8 | -177.3 | -62.1 | -178.5 | 174.4 | 0 | 0 | 112.8 | Q650 | Q650-E652 PolarHBondContact O-N 3.41Å; Q650-E652 VanDerWaalsContact O-N 3.07Å |
| 653 | R | 82.3 | Confident | 88.9 | Confident | 97 Ų | 97 | 33.1 Ų | 33.1 | 37% | 0.366 | 17% | 0.165 | S | C | . | . | trans | -167.6 | 137.9 | -175.4 | -170.4 | -175.4 | -178.5 | 135.8 | 19 | 111.3 | Q650 L655 | Q650-R653 WeakPolarHBondContact CG-O 3.49Å; Q650-R653 PolarHBondContact NE2-O 3.25Å; Q650-R653 PolarHBondContact O-N 3.22Å; R653-L655 PolarHBondContact O-N 3.23Å | ||
| 654 | A | 88.9 | Confident | 89 | Confident | 13 Ų | 13 | 32 Ų | 32 | 11% | 0.107 | 16% | 0.161 | C | C | . | . | trans | -52.3 | 132 | 170 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q588 V648 Y656 | Q588-A654 PolarHBondContact NE2-O 3.47Å; V648-A654 WeakPolarHBondContact O-CA 3.4Å; A654-Y656 HydrophobicContact CB-CE1 4.17Å | ||
| 655 | L | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 111.9 | 171.8 | 178.1 | 63.1 | 0 | 0 | 0 | 108.8 | K585 F603 F610 Y612 I624 Q647 V648 R653 I657 | K585-L655 HydrophobicContact CB-CD1 4.28Å; K585-L655 HydrophobicContact CD-CD1 4.34Å; F603-L655 HydrophobicContact CE1-CD2 4.38Å; F610-L655 HydrophobicContact CE1-CD2 4.38Å; Y612-L655 HydrophobicContact CD1-CD2 4.32Å; Y612-L655 HydrophobicContact CE1-CD2 4.17Å; I624-L655 HydrophobicContact CD1-CD2 3.9Å; Q647-L655 WeakPolarHBondContact CA-O 3.41Å; V648-L655 HydrophobicContact CB-CB 4.38Å; V648-L655 PolarHBondContact N-O 3.15Å; V648-L655 PolarHBondContact O-N 2.96Å; R653-L655 PolarHBondContact O-N 3.23Å; L655-I657 HydrophobicContact CD2-CD1 3.78Å; L655-I657 HydrophobicContact CD2-CG1 4.16Å; L655-I657 HydrophobicContact CG-CD1 3.95Å; L655-I657 HydrophobicContact CG-CG1 3.79Å |
| 656 | Y | 93.4 | Very high | 88.1 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.3 | 176.6 | -55.4 | -64.9 | 0 | 0 | 0 | 110.7 | R586 L635 F640 Q647 A654 A690 Y691 | R586-Y656 PolarHBondContact N-O 3.25Å; L635-Y656 HydrophobicContact CD1-CD1 3.88Å; L635-Y656 HydrophobicContact CD1-CE1 3.69Å; L635-Y656 HydrophobicContact CD2-CD1 3.77Å; L635-Y656 HydrophobicContact CD2-CE1 4.31Å; L635-Y656 HydrophobicContact CD2-CG 4.46Å; L635-Y656 HydrophobicContact CG-CD1 4.45Å; F640-Y656 HydrophobicContact CE2-CD1 4.21Å; F640-Y656 HydrophobicContact CE2-CD2 4.14Å; F640-Y656 AromaticContact CE2-CG 3.87Å; F640-Y656 HydrophobicContact CE2-CG 3.87Å; F640-Y656 AromaticContact CZ-CD2 3.98Å; F640-Y656 HydrophobicContact CZ-CD2 3.98Å; F640-Y656 HydrophobicContact CZ-CE2 4.31Å; F640-Y656 HydrophobicContact CZ-CG 4.2Å; Q647-Y656 HydrophobicContact CB-CD1 3.92Å; Q647-Y656 HydrophobicContact CB-CE1 4.13Å; A654-Y656 HydrophobicContact CB-CE1 4.17Å; Y656-A690 HydrophobicContact CE1-CB 4.14Å; Y656-A690 HydrophobicContact CE2-CB 4.28Å; Y656-Y691 PolarHBondContact OH-N 3.43Å |
| 657 | I | 94.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.7 | -172.9 | -50.8 | 175.6 | 0 | 0 | 0 | 109.2 | M583 I584 F603 F610 M645 F646 V648 L655 | M583-I657 HydrophobicContact CB-CG2 3.73Å; M583-I657 HydrophobicContact CE-CG2 4.15Å; M583-I657 HydrophobicContact CG-CG2 4.34Å; M583-I657 HydrophobicContact SD-CG2 3.71Å; I584-I657 CarbonylContact O-C 3.58Å; I584-I657 WeakPolarHBondContact O-CA 3.13Å; F603-I657 HydrophobicContact CE1-CD1 3.76Å; F603-I657 HydrophobicContact CE1-CG1 4.46Å; F603-I657 HydrophobicContact CE2-CG2 4.42Å; F603-I657 HydrophobicContact CZ-CD1 4.07Å; F603-I657 HydrophobicContact CZ-CG1 4.3Å; F603-I657 HydrophobicContact CZ-CG2 4.18Å; F610-I657 HydrophobicContact CE1-CD1 3.85Å; F610-I657 HydrophobicContact CZ-CD1 3.94Å; M645-I657 CarbonylContact C-O 3.6Å; M645-I657 VanDerWaalsContact CA-O 3.31Å; M645-I657 WeakPolarHBondContact CA-O 3.26Å; M645-I657 WeakPolarHBondContact CE-O 3.45Å; F646-I657 HydrophobicContact CD1-CB 4.3Å; F646-I657 HydrophobicContact CE1-CB 3.83Å; F646-I657 HydrophobicContact CE1-CG2 3.73Å; F646-I657 HydrophobicContact CE2-CB 4.18Å; F646-I657 HydrophobicContact CE2-CD1 3.92Å; F646-I657 HydrophobicContact CZ-CB 3.76Å; F646-I657 HydrophobicContact CZ-CD1 3.93Å; F646-I657 HydrophobicContact CZ-CG1 4.42Å; F646-I657 HydrophobicContact CZ-CG2 3.74Å; F646-I657 PolarHBondContact N-O 2.98Å; F646-I657 PolarHBondContact O-N 3.05Å; F646-I657 VanDerWaalsContact O-O 3.13Å; V648-I657 HydrophobicContact CG2-CD1 3.98Å; L655-I657 HydrophobicContact CD2-CD1 3.78Å; L655-I657 HydrophobicContact CD2-CG1 4.16Å; L655-I657 HydrophobicContact CG-CD1 3.95Å; L655-I657 HydrophobicContact CG-CG1 3.79Å |
| 658 | Q | 93.9 | Very high | 86.6 | Confident | 32 Ų | 32 | 33.6 Ų | 33.6 | 15% | 0.15 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.3 | 169.2 | -157.1 | -169.6 | 8.4 | 0 | 0 | 109 | M583 I584 K643 M645 | M583-Q658 WeakPolarHBondContact CB-O 3.44Å; I584-Q658 HydrophobicContact CB-CB 4.09Å; I584-Q658 PolarHBondContact N-O 2.93Å; I584-Q658 PolarHBondContact O-N 2.96Å; K643-Q658 VanDerWaalsContact O-CG 3.29Å; K643-Q658 WeakPolarHBondContact O-CG 3.43Å; K643-Q658 PolarHBondContact O-NE2 3.12Å; K643-Q658 VanDerWaalsContact O-NE2 3.09Å; M645-Q658 HydrophobicContact CG-CG 4.26Å; M645-Q658 HydrophobicContact SD-CB 3.38Å; M645-Q658 WeakPolarHBondContact SD-CB 3.24Å; M645-Q658 HydrophobicContact SD-CG 3.63Å |
| 659 | A | 92.1 | Very high | 86 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | trans | -83.8 | 167.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M583 N644 F646 E664 A665 | M583-A659 HydrophobicContact SD-CB 4.34Å; N644-A659 PolarHBondContact O-N 2.75Å; N644-A659 VanDerWaalsContact O-N 3.09Å; F646-A659 HydrophobicContact CE1-CB 4.38Å; A659-E664 HydrophobicContact CB-CB 3.98Å; A659-A665 HydrophobicContact CB-CB 3.7Å; A659-A665 VanDerWaalsContact CB-N 3.26Å | ||
| 660 | N | 86.8 | Confident | 84.9 | Confident | 81 Ų | 81 | 33.8 Ų | 33.8 | 43% | 0.433 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -71.3 | -33.5 | -175.4 | -58.9 | -51.4 | 0 | 0 | 0 | 112.4 | F582 E664 | F582-N660 PolarHBondContact O-ND2 3.38Å; N660-E664 WeakPolarHBondContact CB-OE2 3.5Å; N660-E664 PolarHBondContact N-OE2 2.91Å; N660-E664 PolarHBondContact ND2-OE2 3.49Å |
| 661 | N | 86.8 | Confident | 83.5 | Confident | 11 Ų | 11 | 34.5 Ų | 34.5 | 6% | 0.059 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -149 | 174.5 | 177.1 | 59.7 | 51 | 0 | 0 | 0 | 110.6 | E45 E46 N644 V663 E664 A665 | E45-N661 HydrophobicContact CG-CB 4.08Å; E45-N661 WeakPolarHBondContact OE1-CA 3.39Å; E46-N661 WeakPolarHBondContact O-CB 3.27Å; E46-N661 PolarHBondContact O-ND2 3.32Å; N644-N661 VanDerWaalsContact CG-C 3.49Å; N644-N661 WeakPolarHBondContact ND2-CA 3.5Å; N661-V663 VanDerWaalsContact C-N 3.3Å; N661-V663 PolarHBondContact O-N 3.4Å; N661-V663 WeakPolarHBondContact OD1-CB 3.33Å; N661-V663 PolarHBondContact OD1-N 2.61Å; N661-V663 VanDerWaalsContact OD1-N 3.16Å; N661-E664 PolarHBondContact O-N 3.22Å; N661-E664 PolarHBondContact OD1-N 3.12Å; N661-A665 WeakPolarHBondContact O-CB 3.27Å; N661-A665 PolarHBondContact O-N 3.05Å |
| 662 | C | 84.8 | Confident | 83 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.8 | -31.9 | -176.4 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | E45 P70 N644 R666 | E45-C662 PolarHBondContact OE1-N 2.74Å; E45-C662 WeakPolarHBondContact OE2-CB 3.39Å; E45-C662 PolarHBondContact OE2-SG 2.99Å; P70-C662 HydrophobicContact CG-CB 3.85Å; N644-C662 PolarHBondContact ND2-N 2.91Å; N644-C662 VanDerWaalsContact OD1-CA 3.23Å; N644-C662 WeakPolarHBondContact OD1-CA 3.28Å; N644-C662 WeakPolarHBondContact OD1-CB 3.44Å; N644-C662 PolarHBondContact OD1-N 3.08Å; C662-R666 WeakPolarHBondContact O-CB 3.38Å; C662-R666 PolarHBondContact O-N 2.97Å |
| 663 | V | 82.8 | Confident | 82.6 | Confident | 7 Ų | 7 | 22.6 Ų | 22.6 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.3 | -48.6 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | L42 V47 C67 N661 R666 D667 | L42-V663 HydrophobicContact CD1-CG2 4.22Å; V47-V663 HydrophobicContact CB-CG2 4Å; V47-V663 HydrophobicContact CG1-CB 4.46Å; V47-V663 HydrophobicContact CG1-CG2 3.64Å; C67-V663 HydrophobicContact CB-CB 4.47Å; C67-V663 HydrophobicContact CB-CG1 3.49Å; C67-V663 VanDerWaalsContact CB-CG1 3.49Å; C67-V663 HydrophobicContact CB-CG2 4.1Å; N661-V663 VanDerWaalsContact C-N 3.3Å; N661-V663 PolarHBondContact O-N 3.4Å; N661-V663 WeakPolarHBondContact OD1-CB 3.33Å; N661-V663 PolarHBondContact OD1-N 2.61Å; N661-V663 VanDerWaalsContact OD1-N 3.16Å; V663-R666 WeakPolarHBondContact O-CB 3.37Å; V663-R666 PolarHBondContact O-N 3.34Å; V663-D667 PolarHBondContact O-N 3.19Å |
| 664 | E | 84 | Confident | 81.6 | Confident | 57 Ų | 57 | 22 Ų | 22 | 27% | 0.266 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -64.5 | -43 | 175.4 | -74.8 | -169.5 | -176.4 | 0 | 0 | 112 | A659 N660 N661 R666 D667 W668 | A659-E664 HydrophobicContact CB-CB 3.98Å; N660-E664 WeakPolarHBondContact CB-OE2 3.5Å; N660-E664 PolarHBondContact N-OE2 2.91Å; N660-E664 PolarHBondContact ND2-OE2 3.49Å; N661-E664 PolarHBondContact O-N 3.22Å; N661-E664 PolarHBondContact OD1-N 3.12Å; E664-R666 PolarHBondContact O-N 3.45Å; E664-D667 PolarHBondContact O-N 2.92Å; E664-W668 WeakPolarHBondContact O-CB 3.21Å; E664-W668 PolarHBondContact O-N 2.94Å |
| 665 | A | 85.1 | Confident | 80.3 | Confident | 7 Ų | 7 | 22.1 Ų | 22.1 | 6% | 0.058 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.4 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | N644 A659 N661 I669 | N644-A665 HydrophobicContact CB-CB 4.07Å; A659-A665 HydrophobicContact CB-CB 3.7Å; A659-A665 VanDerWaalsContact CB-N 3.26Å; N661-A665 WeakPolarHBondContact O-CB 3.27Å; N661-A665 PolarHBondContact O-N 3.05Å; A665-I669 WeakPolarHBondContact O-CB 3.25Å; A665-I669 WeakPolarHBondContact O-CD1 3.33Å; A665-I669 WeakPolarHBondContact O-CG1 3.05Å; A665-I669 PolarHBondContact O-N 3.42Å |
| 666 | R | 77.7 | Confident | 79.1 | Confident | 9 Ų | 9 | 22.1 Ų | 22.1 | 3% | 0.034 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.8 | -53.1 | 177.8 | 176.1 | 59.7 | 172.2 | -97.5 | -37.6 | 112.3 | M1 P70 C662 V663 E664 W668 I669 D670 | M1-R666 VanDerWaalsContact C-CZ 3.42Å; M1-R666 VanDerWaalsContact CA-CZ 3.44Å; M1-R666 VanDerWaalsContact N-NE 3.11Å; M1-R666 PolarHBondContact O-NH1 3.44Å; M1-R666 PolarHBondContact O-NH2 3.48Å; P70-R666 HydrophobicContact CB-CB 3.63Å; P70-R666 HydrophobicContact CB-CG 3.76Å; P70-R666 HydrophobicContact CG-CB 4.24Å; C662-R666 WeakPolarHBondContact O-CB 3.38Å; C662-R666 PolarHBondContact O-N 2.97Å; V663-R666 WeakPolarHBondContact O-CB 3.37Å; V663-R666 PolarHBondContact O-N 3.34Å; E664-R666 PolarHBondContact O-N 3.45Å; R666-W668 PolarHBondContact O-N 3.21Å; R666-I669 PolarHBondContact O-N 3.29Å; R666-D670 WeakPolarHBondContact CD-OD2 3.37Å; R666-D670 IonicContact CZ-OD2 2.66Å; R666-D670 VanDerWaalsContact NE-CG 3.28Å; R666-D670 IonicContact NE-OD1 3.76Å; R666-D670 PolarHBondContact NE-OD1 2.86Å; R666-D670 IonicContact NE-OD2 3.71Å; R666-D670 PolarHBondContact NE-OD2 2.94Å; R666-D670 IonicContact NH2-OD2 2.68Å; R666-D670 WeakPolarHBondContact O-CB 3.41Å; R666-D670 PolarHBondContact O-N 3.3Å |
| 667 | D | 72.3 | Confident | 77.6 | Confident | 56 Ų | 56 | 24.2 Ų | 24.2 | 30% | 0.299 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -54.7 | -44.2 | 179.4 | -79.1 | 1.9 | 0 | 0 | 0 | 111.3 | K579 V663 E664 I671 | K579-D667 VanDerWaalsContact NZ-CB 3.34Å; K579-D667 IonicContact NZ-OD2 3.55Å; K579-D667 PolarHBondContact NZ-OD2 3.39Å; V663-D667 PolarHBondContact O-N 3.19Å; E664-D667 PolarHBondContact O-N 2.92Å; D667-I671 WeakPolarHBondContact O-CB 3.48Å; D667-I671 WeakPolarHBondContact O-CG2 3.39Å; D667-I671 PolarHBondContact O-N 2.77Å |
| 668 | W | 82.4 | Confident | 75.6 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 1% | 0.011 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.3 | -46.3 | 178.5 | -81.8 | 112.5 | 0 | 0 | 0 | 112.1 | K579 M583 F603 L605 F610 F646 E664 R666 I671 L672 | K579-W668 HydrophobicContact CB-CH2 3.89Å; K579-W668 HydrophobicContact CB-CZ2 4.36Å; K579-W668 HydrophobicContact CB-CZ3 3.97Å; K579-W668 HydrophobicContact CD-CD2 3.69Å; K579-W668 HydrophobicContact CD-CE3 3.92Å; K579-W668 HydrophobicContact CD-CG 4.21Å; K579-W668 HydrophobicContact CD-CH2 4.19Å; K579-W668 HydrophobicContact CD-CZ2 3.97Å; K579-W668 HydrophobicContact CD-CZ3 4.16Å; K579-W668 HydrophobicContact CG-CD2 4.38Å; K579-W668 HydrophobicContact CG-CE3 4.41Å; K579-W668 HydrophobicContact CG-CH2 3.81Å; K579-W668 HydrophobicContact CG-CZ2 3.75Å; K579-W668 HydrophobicContact CG-CZ3 4.14Å; M583-W668 HydrophobicContact CE-CD2 3.52Å; M583-W668 VanDerWaalsContact CE-CE2 3.44Å; M583-W668 HydrophobicContact CE-CE3 3.9Å; M583-W668 HydrophobicContact CE-CG 3.96Å; M583-W668 HydrophobicContact CE-CH2 4.13Å; M583-W668 HydrophobicContact CE-CZ2 3.77Å; M583-W668 HydrophobicContact CE-CZ3 4.18Å; M583-W668 HydrophobicContact SD-CB 4.38Å; M583-W668 HydrophobicContact SD-CD2 3.87Å; M583-W668 HydrophobicContact SD-CG 3.65Å; M583-W668 PolarHBondContact SD-NE1 3.35Å; M583-W668 VanDerWaalsContact SD-NE1 3.45Å; F603-W668 HydrophobicContact CB-CH2 4.01Å; F603-W668 HydrophobicContact CB-CZ2 4.27Å; L605-W668 HydrophobicContact CB-CZ3 3.86Å; F610-W668 HydrophobicContact CD2-CZ3 4.41Å; F610-W668 HydrophobicContact CE2-CE3 4.15Å; F610-W668 HydrophobicContact CE2-CH2 4.47Å; F610-W668 AromaticContact CE2-CZ3 3.71Å; F610-W668 HydrophobicContact CE2-CZ3 3.71Å; F646-W668 HydrophobicContact CE1-CB 4.22Å; F646-W668 HydrophobicContact CZ-CB 3.87Å; E664-W668 WeakPolarHBondContact O-CB 3.21Å; E664-W668 PolarHBondContact O-N 2.94Å; R666-W668 PolarHBondContact O-N 3.21Å; W668-I671 HydrophobicContact CE3-CG2 4.33Å; W668-I671 WeakPolarHBondContact O-CG2 3.46Å; W668-L672 HydrophobicContact CE3-CD1 4.29Å; W668-L672 HydrophobicContact CE3-CG 4.48Å; W668-L672 WeakPolarHBondContact O-CB 3.11Å; W668-L672 WeakPolarHBondContact O-CD1 3.41Å; W668-L672 WeakPolarHBondContact O-CG 3.45Å; W668-L672 PolarHBondContact O-N 2.68Å |
| 669 | I | 81.7 | Confident | 74.3 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 176 | -67.2 | 162.6 | 0 | 0 | 0 | 110.4 | M1 V632 R634 F646 A665 R666 L672 T673 | M1-I669 HydrophobicContact CE-CG2 4.02Å; V632-I669 HydrophobicContact CG1-CB 4.46Å; V632-I669 HydrophobicContact CG1-CG1 4.4Å; V632-I669 HydrophobicContact CG1-CG2 4.32Å; R634-I669 HydrophobicContact CG-CD1 3.67Å; F646-I669 HydrophobicContact CB-CD1 3.64Å; F646-I669 HydrophobicContact CB-CG1 3.65Å; F646-I669 HydrophobicContact CD1-CG1 4.33Å; F646-I669 HydrophobicContact CD2-CG1 3.9Å; F646-I669 HydrophobicContact CG-CD1 4.16Å; F646-I669 HydrophobicContact CG-CG1 3.72Å; A665-I669 WeakPolarHBondContact O-CB 3.25Å; A665-I669 WeakPolarHBondContact O-CD1 3.33Å; A665-I669 WeakPolarHBondContact O-CG1 3.05Å; A665-I669 PolarHBondContact O-N 3.42Å; R666-I669 PolarHBondContact O-N 3.29Å; I669-L672 PolarHBondContact O-N 3.24Å; I669-T673 WeakPolarHBondContact O-CB 3.02Å; I669-T673 PolarHBondContact O-N 3.33Å; I669-T673 PolarHBondContact O-OG1 3Å; I669-T673 VanDerWaalsContact O-OG1 3.06Å |
| 670 | D | 66.5 | Low | 73.1 | Confident | 24 Ų | 24 | 37.9 Ų | 37.9 | 13% | 0.128 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | -177.3 | -80 | -13.6 | 0 | 0 | 0 | 110.3 | M1 R666 L672 T673 K674 | M1-D670 WeakPolarHBondContact CG-OD1 3.47Å; M1-D670 PolarHBondContact N-OD1 3.46Å; M1-D670 PolarHBondContact N-OD2 2.9Å; R666-D670 WeakPolarHBondContact CD-OD2 3.37Å; R666-D670 IonicContact CZ-OD2 2.66Å; R666-D670 VanDerWaalsContact NE-CG 3.28Å; R666-D670 IonicContact NE-OD1 3.76Å; R666-D670 PolarHBondContact NE-OD1 2.86Å; R666-D670 IonicContact NE-OD2 3.71Å; R666-D670 PolarHBondContact NE-OD2 2.94Å; R666-D670 IonicContact NH2-OD2 2.68Å; R666-D670 WeakPolarHBondContact O-CB 3.41Å; R666-D670 PolarHBondContact O-N 3.3Å; D670-L672 PolarHBondContact O-N 2.85Å; D670-T673 PolarHBondContact O-N 3.05Å; D670-K674 VanDerWaalsContact O-CB 3.32Å; D670-K674 WeakPolarHBondContact O-CB 3.42Å; D670-K674 WeakPolarHBondContact O-CG 3.38Å; D670-K674 PolarHBondContact O-N 2.87Å |
| 671 | I | 61.7 | Low | 72.7 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 20% | 0.2 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.5 | -39.1 | -179 | -158.3 | 170.4 | 0 | 0 | 0 | 112.4 | L578 K579 L605 D667 W668 K674 V675 | L578-I671 HydrophobicContact CB-CD1 3.66Å; L578-I671 HydrophobicContact CB-CG1 4.4Å; L578-I671 WeakPolarHBondContact O-CD1 3.44Å; K579-I671 HydrophobicContact CB-CD1 3.97Å; K579-I671 HydrophobicContact CD-CG2 4.08Å; L605-I671 HydrophobicContact CD2-CB 4.2Å; L605-I671 HydrophobicContact CD2-CD1 4.18Å; L605-I671 HydrophobicContact CD2-CG1 3.85Å; L605-I671 HydrophobicContact CD2-CG2 3.51Å; D667-I671 WeakPolarHBondContact O-CB 3.48Å; D667-I671 WeakPolarHBondContact O-CG2 3.39Å; D667-I671 PolarHBondContact O-N 2.77Å; W668-I671 HydrophobicContact CE3-CG2 4.33Å; W668-I671 WeakPolarHBondContact O-CG2 3.46Å; I671-K674 PolarHBondContact O-N 3.38Å; I671-V675 WeakPolarHBondContact O-CG1 3.19Å; I671-V675 WeakPolarHBondContact O-CG2 3.45Å; I671-V675 PolarHBondContact O-N 3.27Å |
| 672 | L | 74.1 | Confident | 72.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.5 | -37.6 | 177.9 | -73.2 | 167.3 | 0 | 0 | 0 | 112 | L605 F610 I629 V632 F646 V648 W668 I669 D670 V675 S676 | L605-L672 HydrophobicContact CD1-CD2 3.58Å; L605-L672 HydrophobicContact CD2-CD2 3.8Å; L605-L672 HydrophobicContact CD2-CG 4.14Å; L605-L672 HydrophobicContact CG-CD2 4.25Å; F610-L672 HydrophobicContact CB-CD2 4.11Å; F610-L672 HydrophobicContact CD1-CD2 4.07Å; F610-L672 HydrophobicContact CD2-CD2 3.69Å; F610-L672 HydrophobicContact CE1-CD1 4.25Å; F610-L672 HydrophobicContact CE1-CD2 4.39Å; F610-L672 HydrophobicContact CE2-CD1 4.22Å; F610-L672 HydrophobicContact CE2-CD2 4.01Å; F610-L672 HydrophobicContact CG-CD2 3.69Å; F610-L672 HydrophobicContact CZ-CD1 3.97Å; F610-L672 HydrophobicContact CZ-CD2 4.34Å; I629-L672 HydrophobicContact CD1-CD2 4.14Å; V632-L672 HydrophobicContact CB-CB 4.35Å; V632-L672 HydrophobicContact CG1-CB 3.99Å; V632-L672 HydrophobicContact CG1-CD1 4.34Å; V632-L672 HydrophobicContact CG2-CB 3.85Å; F646-L672 HydrophobicContact CE2-CD1 3.86Å; F646-L672 HydrophobicContact CZ-CD1 4.44Å; V648-L672 HydrophobicContact CG2-CD1 3.98Å; W668-L672 HydrophobicContact CE3-CD1 4.29Å; W668-L672 HydrophobicContact CE3-CG 4.48Å; W668-L672 WeakPolarHBondContact O-CB 3.11Å; W668-L672 WeakPolarHBondContact O-CD1 3.41Å; W668-L672 WeakPolarHBondContact O-CG 3.45Å; W668-L672 PolarHBondContact O-N 2.68Å; I669-L672 PolarHBondContact O-N 3.24Å; D670-L672 PolarHBondContact O-N 2.85Å; L672-V675 WeakPolarHBondContact O-CG2 3.25Å; L672-S676 WeakPolarHBondContact O-CB 3.32Å; L672-S676 PolarHBondContact O-N 3.41Å; L672-S676 PolarHBondContact O-OG 2.93Å |
| 673 | T | 71.3 | Confident | 72.2 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -47.3 | 171.6 | -75.3 | 0 | 0 | 0 | 0 | 110.2 | V632 I669 D670 V675 S676 Q677 | V632-T673 PolarHBondContact O-OG1 2.94Å; I669-T673 WeakPolarHBondContact O-CB 3.02Å; I669-T673 PolarHBondContact O-N 3.33Å; I669-T673 PolarHBondContact O-OG1 3Å; I669-T673 VanDerWaalsContact O-OG1 3.06Å; D670-T673 PolarHBondContact O-N 3.05Å; T673-V675 PolarHBondContact O-N 3.16Å; T673-S676 CarbonylContact O-C 3.54Å; T673-S676 PolarHBondContact O-N 3.36Å; T673-S676 VanDerWaalsContact O-N 3.17Å; T673-S676 PolarHBondContact O-OG 3.46Å; T673-S676 VanDerWaalsContact O-OG 3.1Å; T673-Q677 HydrophobicContact CG2-CG 4.4Å; T673-Q677 VanDerWaalsContact O-CG 3.31Å; T673-Q677 WeakPolarHBondContact O-CG 3.19Å; T673-Q677 PolarHBondContact O-N 3.02Å |
| 674 | K | 61.7 | Low | 72 | Confident | 83 Ų | 83 | 50 Ų | 50 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.8 | -48.6 | 179.6 | -77.9 | 178.3 | 178 | -150.1 | 0 | 113 | D670 I671 S676 Q677 D723 | D670-K674 VanDerWaalsContact O-CB 3.32Å; D670-K674 WeakPolarHBondContact O-CB 3.42Å; D670-K674 WeakPolarHBondContact O-CG 3.38Å; D670-K674 PolarHBondContact O-N 2.87Å; I671-K674 PolarHBondContact O-N 3.38Å; K674-S676 VanDerWaalsContact C-N 3.27Å; K674-S676 PolarHBondContact O-N 2.86Å; K674-Q677 PolarHBondContact O-N 2.58Å; K674-D723 HydrophobicContact CD-CB 4.05Å; K674-D723 WeakPolarHBondContact CE-OD2 3.49Å; K674-D723 HydrophobicContact CG-CB 4.03Å; K674-D723 WeakPolarHBondContact CG-OD2 3.43Å; K674-D723 PolarHBondContact NZ-O 2.86Å; K674-D723 IonicContact NZ-OD2 2.67Å |
| 675 | V | 61.4 | Low | 72 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.4 | -29.2 | 178.8 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | L578 L605 I626 I671 L672 T673 I720 | L578-V675 HydrophobicContact CD1-CG1 3.28Å; L605-V675 HydrophobicContact CD1-CG2 4.27Å; L605-V675 HydrophobicContact CD2-CG1 4.47Å; L605-V675 HydrophobicContact CD2-CG2 4.42Å; I626-V675 HydrophobicContact CD1-CB 4.24Å; I626-V675 HydrophobicContact CD1-CG2 3.65Å; I626-V675 HydrophobicContact CG1-CB 4.4Å; I626-V675 HydrophobicContact CG1-CG2 4.3Å; I626-V675 HydrophobicContact CG2-CB 4.04Å; I626-V675 HydrophobicContact CG2-CG2 4.13Å; I626-V675 WeakPolarHBondContact CG2-O 3.29Å; I671-V675 WeakPolarHBondContact O-CG1 3.19Å; I671-V675 WeakPolarHBondContact O-CG2 3.45Å; I671-V675 PolarHBondContact O-N 3.27Å; L672-V675 WeakPolarHBondContact O-CG2 3.25Å; T673-V675 PolarHBondContact O-N 3.16Å; V675-I720 WeakPolarHBondContact O-CD1 3.42Å |
| 676 | S | 67 | Low | 72.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -92.4 | -2.2 | -179.7 | 61.4 | 0 | 0 | 0 | 0 | 114.1 | L672 T673 K674 C678 N679 | L672-S676 WeakPolarHBondContact O-CB 3.32Å; L672-S676 PolarHBondContact O-N 3.41Å; L672-S676 PolarHBondContact O-OG 2.93Å; T673-S676 CarbonylContact O-C 3.54Å; T673-S676 PolarHBondContact O-N 3.36Å; T673-S676 VanDerWaalsContact O-N 3.17Å; T673-S676 PolarHBondContact O-OG 3.46Å; T673-S676 VanDerWaalsContact O-OG 3.1Å; K674-S676 VanDerWaalsContact C-N 3.27Å; K674-S676 PolarHBondContact O-N 2.86Å; S676-C678 VanDerWaalsContact C-N 3.26Å; S676-C678 PolarHBondContact O-N 3.43Å; S676-N679 WeakPolarHBondContact O-CB 3.33Å; S676-N679 PolarHBondContact O-N 3.48Å |
| 677 | Q | 61 | Low | 72.7 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -35.1 | -179.2 | -88.2 | 163.7 | 3.9 | 0 | 0 | 112.7 | T673 K674 N679 D723 | T673-Q677 HydrophobicContact CG2-CG 4.4Å; T673-Q677 VanDerWaalsContact O-CG 3.31Å; T673-Q677 WeakPolarHBondContact O-CG 3.19Å; T673-Q677 PolarHBondContact O-N 3.02Å; K674-Q677 PolarHBondContact O-N 2.58Å; Q677-N679 PolarHBondContact O-N 3.28Å; Q677-D723 PolarHBondContact NE2-OD2 2.74Å; Q677-D723 VanDerWaalsContact NE2-OD2 3.13Å; Q677-D723 PolarHBondContact OE1-OD2 3.18Å |
| 678 | C | 53.3 | Low | 73.5 | Confident | 50 Ų | 50 | 48.1 Ų | 48.1 | 34% | 0.338 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 0.6 | 178.1 | -66.8 | 0 | 0 | 0 | 0 | 114.7 | S676 R680 A718 I720 | S676-C678 VanDerWaalsContact C-N 3.26Å; S676-C678 PolarHBondContact O-N 3.43Å; C678-R680 PolarHBondContact O-N 3.08Å; C678-A718 HydrophobicContact CB-CB 4.15Å; C678-I720 HydrophobicContact CB-CD1 3.81Å; C678-I720 HydrophobicContact CB-CG1 4.36Å; C678-I720 VanDerWaalsContact SG-CD1 3.55Å; C678-I720 WeakPolarHBondContact SG-CG1 3.38Å; C678-I720 PolarHBondContact SG-N 3.21Å |
| 679 | N | 65.6 | Low | 73.9 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | trans | -72.7 | 114.6 | -178.2 | -170.3 | -3.6 | 0 | 0 | 0 | 110.9 | E627 I629 S676 Q677 K681 R682 | E627-N679 VanDerWaalsContact C-ND2 3.33Å; E627-N679 PolarHBondContact O-ND2 2.8Å; E627-N679 PolarHBondContact O-OD1 3.09Å; I629-N679 PolarHBondContact O-ND2 3Å; S676-N679 WeakPolarHBondContact O-CB 3.33Å; S676-N679 PolarHBondContact O-N 3.48Å; Q677-N679 PolarHBondContact O-N 3.28Å; N679-K681 PolarHBondContact O-N 3.39Å; N679-K681 VanDerWaalsContact O-N 3.1Å; N679-K681 PolarHBondContact OD1-N 3.47Å; N679-R682 WeakPolarHBondContact O-CB 3.23Å; N679-R682 PolarHBondContact O-N 2.89Å; N679-R682 VanDerWaalsContact O-N 3.12Å | ||
| 680 | R | 66.5 | Low | 74.2 | Confident | 250 Ų | 250 | 48 Ų | 48 | 94% | 0.943 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.1 | 177.3 | -64.2 | -175.3 | -178.3 | -174.2 | 0.5 | 113.6 | C678 | C678-R680 PolarHBondContact O-N 3.08Š|
| 681 | K | 77.9 | Confident | 75.1 | Confident | 149 Ų | 149 | 49 Ų | 49 | 65% | 0.648 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 11.8 | 180 | -60.9 | 178 | -177.5 | 170.8 | 0 | 113.2 | L630 N679 L683 | L630-K681 HydrophobicContact CD2-CB 3.96Å; L630-K681 WeakPolarHBondContact CD2-O 3.26Å; N679-K681 PolarHBondContact O-N 3.39Å; N679-K681 VanDerWaalsContact O-N 3.1Å; N679-K681 PolarHBondContact OD1-N 3.47Å; K681-L683 PolarHBondContact O-N 2.91Å |
| 682 | R | 78.9 | Confident | 76.1 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | trans | -58.8 | 138 | -178.8 | -161.9 | -172.9 | 176.7 | 111 | -2.8 | 110.7 | L630 N679 T713 | L630-R682 CarbonylContact O-C 3.58Å; L630-R682 VanDerWaalsContact O-CA 3.3Å; L630-R682 WeakPolarHBondContact O-CA 3.41Å; L630-R682 WeakPolarHBondContact O-CG 3.24Å; N679-R682 WeakPolarHBondContact O-CB 3.23Å; N679-R682 PolarHBondContact O-N 2.89Å; N679-R682 VanDerWaalsContact O-N 3.12Å; R682-T713 PolarHBondContact NH2-O 3.39Å | ||
| 683 | L | 82.8 | Confident | 76.5 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 35% | 0.346 | 27% | 0.274 | S | S | . | . | trans | -74 | 140.8 | 175.9 | -65.8 | 170.3 | 0 | 0 | 0 | 110.3 | L630 I649 K681 T685 C712 | L630-L683 HydrophobicContact CB-CD1 4.1Å; L630-L683 HydrophobicContact CB-CG 4.03Å; L630-L683 PolarHBondContact O-N 3.35Å; I649-L683 HydrophobicContact CD1-CD1 4.46Å; I649-L683 HydrophobicContact CG2-CD1 3.76Å; K681-L683 PolarHBondContact O-N 2.91Å; L683-T685 WeakPolarHBondContact CB-O 3.3Å; L683-C712 PolarHBondContact O-SG 2.92Å | ||
| 684 | S | 78.6 | Confident | 77 | Confident | 96 Ų | 96 | 57.2 Ų | 57.2 | 67% | 0.671 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -83.4 | -22.2 | 170.2 | 57 | 0 | 0 | 0 | 0 | 112.7 | P711 C712 | S684-P711 WeakPolarHBondContact O-CA 3.28Å; S684-C712 PolarHBondContact O-N 3.49Å |
| 685 | T | 84.5 | Confident | 78.2 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 29% | 0.288 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 148.8 | -179.5 | 54.5 | 0 | 0 | 0 | 0 | 111.3 | L683 G708 T710 C712 | L683-T685 WeakPolarHBondContact CB-O 3.3Å; T685-G708 WeakPolarHBondContact CB-O 3.48Å; T685-G708 PolarHBondContact OG1-O 3.04Å; T685-T710 CarbonylContact C-O 3.5Å; T685-T710 WeakPolarHBondContact CA-O 3.4Å; T685-T710 WeakPolarHBondContact CB-O 3.19Å; T685-C712 VanDerWaalsContact C-SG 3.54Å |
| 686 | Y | 89 | Confident | 79.5 | Confident | 24 Ų | 24 | 56 Ų | 56 | 9% | 0.094 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 172 | 178.4 | 79.3 | -73.4 | 0 | 0 | 0 | 111.9 | E633 P688 G708 C709 T710 P711 C712 | E633-Y686 HydrophobicContact CB-CD2 3.63Å; E633-Y686 HydrophobicContact CB-CE1 4.31Å; E633-Y686 HydrophobicContact CB-CE2 3.32Å; E633-Y686 HydrophobicContact CB-CG 4.25Å; E633-Y686 HydrophobicContact CG-CD1 3.86Å; E633-Y686 HydrophobicContact CG-CD2 3.69Å; E633-Y686 HydrophobicContact CG-CE1 3.86Å; E633-Y686 HydrophobicContact CG-CE2 3.7Å; E633-Y686 HydrophobicContact CG-CG 3.77Å; Y686-P688 HydrophobicContact CE2-CB 4.02Å; Y686-G708 VanDerWaalsContact C-CA 3.4Å; Y686-G708 CarbonylContact O-C 3.54Å; Y686-G708 VanDerWaalsContact O-CA 3.31Å; Y686-G708 WeakPolarHBondContact O-CA 3.45Å; Y686-C709 PolarHBondContact O-N 3.34Å; Y686-T710 WeakPolarHBondContact CD1-O 3.43Å; Y686-T710 HydrophobicContact CE1-CG2 3.98Å; Y686-T710 PolarHBondContact N-O 3.26Å; Y686-T710 PolarHBondContact O-N 3.19Å; Y686-P711 VanDerWaalsContact CE1-O 3.24Å; Y686-P711 WeakPolarHBondContact CE1-O 3.23Å; Y686-C712 HydrophobicContact CD1-CB 4.41Å |
| 687 | H | 89.5 | Confident | 80.4 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | trans | -100.8 | 121 | 172 | -71.6 | -66.4 | 0 | 0 | 0 | 110 | Q647 S689 W696 C698 C699 A706 P707 | Q647-H687 PolarHBondContact NE2-O 3.07Å; H687-S689 VanDerWaalsContact C-N 3.3Å; H687-S689 PolarHBondContact O-N 2.89Å; H687-W696 HydrophobicContact CB-CD2 3.95Å; H687-W696 HydrophobicContact CB-CE3 3.42Å; H687-W696 VanDerWaalsContact CB-CE3 3.42Å; H687-W696 HydrophobicContact CB-CH2 4.05Å; H687-W696 HydrophobicContact CB-CZ3 3.47Å; H687-W696 VanDerWaalsContact CB-CZ3 3.47Å; H687-W696 AromaticContact CD2-CD2 3.6Å; H687-W696 AromaticContact CD2-CE2 3.36Å; H687-W696 AromaticContact CD2-CE3 3.93Å; H687-W696 AromaticContact CD2-CH2 3.84Å; H687-W696 AromaticContact CD2-CZ2 3.51Å; H687-W696 AromaticContact CD2-NE1 3.82Å; H687-W696 AromaticContact CG-CD2 3.59Å; H687-W696 AromaticContact CG-CE2 3.87Å; H687-W696 AromaticContact CG-CE3 3.63Å; H687-W696 AromaticContact CG-CZ3 3.94Å; H687-W696 AromaticContact NE2-CD1 4Å; H687-W696 AromaticContact NE2-CE2 3.75Å; H687-W696 AromaticContact NE2-NE1 3.7Å; H687-C698 PolarHBondContact ND1-SG 2.86Å; H687-C698 VanDerWaalsContact ND1-SG 3.44Å; H687-C699 PolarHBondContact CE1-SG 3.45Å; H687-A706 PolarHBondContact NE2-O 2.98Å; H687-P707 PolarHBondContact CE1-O 2.93Å; H687-P707 PolarHBondContact NE2-O 3.46Å | ||
| 688 | P | 88.1 | Confident | 81.6 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 7% | 0.071 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -75.1 | -18 | -175.8 | 30.5 | -35.8 | 0 | 0 | 0 | 113.7 | L635 E636 Y686 C698 C709 T710 | L635-P688 WeakPolarHBondContact CD1-O 3.32Å; E636-P688 HydrophobicContact CG-CB 4.1Å; E636-P688 PolarHBondContact N-O 3.46Å; Y686-P688 HydrophobicContact CE2-CB 4.02Å; P688-C698 HydrophobicContact CG-CB 3.9Å; P688-C709 WeakPolarHBondContact CD-SG 3.37Å; P688-T710 WeakPolarHBondContact CD-OG1 3.47Å |
| 689 | S | 90 | Very high | 83.2 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -114.2 | 160.3 | 177.3 | -21.8 | 0 | 0 | 0 | 0 | 112.1 | E636 S639 H687 W696 C698 | E636-S689 PolarHBondContact OE2-OG 2.91Å; S639-S689 VanDerWaalsContact OG-CA 3.31Å; S639-S689 WeakPolarHBondContact OG-CA 3.36Å; H687-S689 VanDerWaalsContact C-N 3.3Å; H687-S689 PolarHBondContact O-N 2.89Å; S689-W696 VanDerWaalsContact O-CZ3 3.31Å; S689-W696 WeakPolarHBondContact O-CZ3 3.1Å; S689-C698 WeakPolarHBondContact OG-CA 3.15Å; S689-C698 VanDerWaalsContact OG-CB 3.22Å; S689-C698 WeakPolarHBondContact OG-CB 3.17Å; S689-C698 PolarHBondContact OG-N 2.87Å |
| 690 | A | 87.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -72.1 | 149 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S639 F640 Y656 L692 L697 | S639-A690 PolarHBondContact OG-N 3.33Å; F640-A690 HydrophobicContact CE1-CB 4.28Å; F640-A690 HydrophobicContact CE2-CB 3.79Å; F640-A690 HydrophobicContact CZ-CB 3.49Å; F640-A690 VanDerWaalsContact CZ-CB 3.49Å; Y656-A690 HydrophobicContact CE1-CB 4.14Å; Y656-A690 HydrophobicContact CE2-CB 4.28Å; A690-L692 HydrophobicContact CB-CD1 4.48Å; A690-L692 HydrophobicContact CB-CG 4.19Å; A690-L692 PolarHBondContact O-N 3.13Å; A690-L697 PolarHBondContact O-N 3.22Å | ||
| 691 | Y | 85.6 | Confident | 85.4 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 114.1 | 166.5 | -174.3 | -91.5 | 0 | 0 | 0 | 110.4 | Y656 G694 H695 W696 S702 D704 | Y656-Y691 PolarHBondContact OH-N 3.43Å; Y691-G694 VanDerWaalsContact OH-CA 3.27Å; Y691-G694 WeakPolarHBondContact OH-CA 3.32Å; Y691-G694 PolarHBondContact OH-O 2.94Å; Y691-G694 VanDerWaalsContact OH-O 3.11Å; Y691-H695 WeakPolarHBondContact CA-O 3.26Å; Y691-H695 VanDerWaalsContact CE2-CA 3.48Å; Y691-W696 AromaticContact CD2-CD1 3.69Å; Y691-W696 AromaticContact CD2-CD2 3.84Å; Y691-W696 HydrophobicContact CD2-CD2 3.84Å; Y691-W696 AromaticContact CD2-CE2 3.75Å; Y691-W696 AromaticContact CD2-CG 3.82Å; Y691-W696 HydrophobicContact CD2-CG 3.82Å; Y691-W696 HydrophobicContact CD2-CZ2 4.4Å; Y691-W696 AromaticContact CD2-NE1 3.64Å; Y691-W696 HydrophobicContact CG-CD2 4.37Å; Y691-S702 WeakPolarHBondContact CE2-O 3.36Å; Y691-S702 PolarHBondContact OH-O 3.01Å; Y691-D704 HydrophobicContact CD1-CB 3.97Å; Y691-D704 HydrophobicContact CD2-CB 3.95Å; Y691-D704 HydrophobicContact CE1-CB 3.85Å; Y691-D704 HydrophobicContact CE2-CB 3.83Å; Y691-D704 HydrophobicContact CG-CB 4.01Å |
| 692 | L | 83.3 | Confident | 85.9 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 146.2 | -176.9 | -65 | -178.7 | 0 | 0 | 0 | 110.6 | S639 F640 A690 G694 H695 L697 | S639-L692 VanDerWaalsContact O-CD1 3.29Å; S639-L692 WeakPolarHBondContact O-CD1 3.45Å; F640-L692 HydrophobicContact CE1-CD1 4.15Å; F640-L692 HydrophobicContact CE1-CD2 4.02Å; A690-L692 HydrophobicContact CB-CD1 4.48Å; A690-L692 HydrophobicContact CB-CG 4.19Å; A690-L692 PolarHBondContact O-N 3.13Å; L692-G694 PolarHBondContact O-N 3.34Å; L692-G694 VanDerWaalsContact O-N 3.14Å; L692-H695 PolarHBondContact N-O 3.45Å; L692-H695 PolarHBondContact O-N 2.9Å; L692-H695 VanDerWaalsContact O-N 3.08Å; L692-H695 PolarHBondContact O-ND1 3.23Å; L692-L697 HydrophobicContact CD1-CD1 3.84Å; L692-L697 HydrophobicContact CG-CD1 4.46Å |
| 693 | N | 81.4 | Confident | 86.2 | Confident | 155 Ų | 155 | 51.2 Ų | 51.2 | 83% | 0.829 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 40.5 | 175.5 | -56.5 | -21.2 | 0 | 0 | 0 | 114 | H695 | N693-H695 VanDerWaalsContact C-N 3.33Å; N693-H695 PolarHBondContact O-N 2.94Å; N693-H695 PolarHBondContact O-ND1 3.45Å; N693-H695 VanDerWaalsContact O-ND1 3.08Å |
| 694 | G | 82.4 | Confident | 86.1 | Confident | 39 Ų | 39 | 53 Ų | 53 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 11.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y691 L692 S702 | Y691-G694 VanDerWaalsContact OH-CA 3.27Å; Y691-G694 WeakPolarHBondContact OH-CA 3.32Å; Y691-G694 PolarHBondContact OH-O 2.94Å; Y691-G694 VanDerWaalsContact OH-O 3.11Å; L692-G694 PolarHBondContact O-N 3.34Å; L692-G694 VanDerWaalsContact O-N 3.14Å; G694-S702 CarbonylContact O-C 3.51Å; G694-S702 VanDerWaalsContact O-CA 3.23Å; G694-S702 WeakPolarHBondContact O-CA 3.46Å |
| 695 | H | 87.1 | Confident | 86.3 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 161.1 | 175.5 | 63 | -78.3 | 0 | 0 | 0 | 113.1 | Y691 L692 N693 L701 | Y691-H695 WeakPolarHBondContact CA-O 3.26Å; Y691-H695 VanDerWaalsContact CE2-CA 3.48Å; L692-H695 PolarHBondContact N-O 3.45Å; L692-H695 PolarHBondContact O-N 2.9Å; L692-H695 VanDerWaalsContact O-N 3.08Å; L692-H695 PolarHBondContact O-ND1 3.23Å; N693-H695 VanDerWaalsContact C-N 3.33Å; N693-H695 PolarHBondContact O-N 2.94Å; N693-H695 PolarHBondContact O-ND1 3.45Å; N693-H695 VanDerWaalsContact O-ND1 3.08Å; H695-L701 CarbonylContact C-O 3.14Å; H695-L701 WeakPolarHBondContact CA-O 3.32Å |
| 696 | W | 88 | Confident | 86.3 | Confident | 21 Ų | 21 | 53 Ų | 53 | 8% | 0.08 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 131.3 | 170 | -71.5 | 101.9 | 0 | 0 | 0 | 110.9 | H687 S689 Y691 C698 K700 L701 A703 D704 | H687-W696 HydrophobicContact CB-CD2 3.95Å; H687-W696 HydrophobicContact CB-CE3 3.42Å; H687-W696 VanDerWaalsContact CB-CE3 3.42Å; H687-W696 HydrophobicContact CB-CH2 4.05Å; H687-W696 HydrophobicContact CB-CZ3 3.47Å; H687-W696 VanDerWaalsContact CB-CZ3 3.47Å; H687-W696 AromaticContact CD2-CD2 3.6Å; H687-W696 AromaticContact CD2-CE2 3.36Å; H687-W696 AromaticContact CD2-CE3 3.93Å; H687-W696 AromaticContact CD2-CH2 3.84Å; H687-W696 AromaticContact CD2-CZ2 3.51Å; H687-W696 AromaticContact CD2-NE1 3.82Å; H687-W696 AromaticContact CG-CD2 3.59Å; H687-W696 AromaticContact CG-CE2 3.87Å; H687-W696 AromaticContact CG-CE3 3.63Å; H687-W696 AromaticContact CG-CZ3 3.94Å; H687-W696 AromaticContact NE2-CD1 4Å; H687-W696 AromaticContact NE2-CE2 3.75Å; H687-W696 AromaticContact NE2-NE1 3.7Å; S689-W696 VanDerWaalsContact O-CZ3 3.31Å; S689-W696 WeakPolarHBondContact O-CZ3 3.1Å; Y691-W696 AromaticContact CD2-CD1 3.69Å; Y691-W696 AromaticContact CD2-CD2 3.84Å; Y691-W696 HydrophobicContact CD2-CD2 3.84Å; Y691-W696 AromaticContact CD2-CE2 3.75Å; Y691-W696 AromaticContact CD2-CG 3.82Å; Y691-W696 HydrophobicContact CD2-CG 3.82Å; Y691-W696 HydrophobicContact CD2-CZ2 4.4Å; Y691-W696 AromaticContact CD2-NE1 3.64Å; Y691-W696 HydrophobicContact CG-CD2 4.37Å; W696-C698 VanDerWaalsContact C-N 3.31Å; W696-C698 PolarHBondContact O-N 3.29Å; W696-K700 WeakPolarHBondContact O-CA 3.32Å; W696-K700 PolarHBondContact O-N 3.47Å; W696-L701 PolarHBondContact N-O 2.99Å; W696-A703 PolarHBondContact NE1-O 2.94Å; W696-D704 WeakPolarHBondContact CZ2-O 3.27Å |
| 697 | L | 87.3 | Confident | 86.1 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -30.7 | -179.6 | -72.8 | 177.8 | 0 | 0 | 0 | 113.5 | A690 L692 K700 | A690-L697 PolarHBondContact O-N 3.22Å; L692-L697 HydrophobicContact CD1-CD1 3.84Å; L692-L697 HydrophobicContact CG-CD1 4.46Å; L697-K700 PolarHBondContact O-NZ 3.03Å |
| 698 | C | 86.2 | Confident | 85.9 | Confident | 41 Ų | 41 | 57.2 Ų | 57.2 | 28% | 0.277 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -57 | 178.7 | 45 | 0 | 0 | 0 | 0 | 113.1 | H687 P688 S689 W696 | H687-C698 PolarHBondContact ND1-SG 2.86Å; H687-C698 VanDerWaalsContact ND1-SG 3.44Å; P688-C698 HydrophobicContact CG-CB 3.9Å; S689-C698 WeakPolarHBondContact OG-CA 3.15Å; S689-C698 VanDerWaalsContact OG-CB 3.22Å; S689-C698 WeakPolarHBondContact OG-CB 3.17Å; S689-C698 PolarHBondContact OG-N 2.87Å; W696-C698 VanDerWaalsContact C-N 3.31Å; W696-C698 PolarHBondContact O-N 3.29Å |
| 699 | C | 86.7 | Confident | 85.9 | Confident | 42 Ų | 42 | 59.6 Ų | 59.6 | 28% | 0.284 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -1.1 | -169.1 | 61.6 | 0 | 0 | 0 | 0 | 114.1 | H687 L701 C709 | H687-C699 PolarHBondContact CE1-SG 3.45Å; C699-L701 HydrophobicContact CB-CG 4.32Å; C699-L701 PolarHBondContact O-N 3.37Å; C699-L701 VanDerWaalsContact SG-CG 3.59Å; C699-C709 HydrophobicContact CB-CB 3.92Å |
| 700 | K | 88.9 | Confident | 85.5 | Confident | 125 Ų | 125 | 61.6 Ų | 61.6 | 54% | 0.543 | 37% | 0.367 | S | S | . | . | trans | 60.8 | 9.6 | -178.8 | -50.4 | -53.3 | -173.9 | -160.9 | 0 | 115.7 | W696 L697 S702 | W696-K700 WeakPolarHBondContact O-CA 3.32Å; W696-K700 PolarHBondContact O-N 3.47Å; L697-K700 PolarHBondContact O-NZ 3.03Å; K700-S702 PolarHBondContact O-N 2.91Å | ||
| 701 | L | 88.8 | Confident | 85 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 42% | 0.419 | 40% | 0.397 | S | S | . | . | trans | -62.9 | 135.3 | 174.3 | -67.3 | 176.6 | 0 | 0 | 0 | 111 | H695 W696 C699 A706 | H695-L701 CarbonylContact C-O 3.14Å; H695-L701 WeakPolarHBondContact CA-O 3.32Å; W696-L701 PolarHBondContact N-O 2.99Å; C699-L701 HydrophobicContact CB-CG 4.32Å; C699-L701 PolarHBondContact O-N 3.37Å; C699-L701 VanDerWaalsContact SG-CG 3.59Å; L701-A706 HydrophobicContact CB-CB 4.13Å; L701-A706 HydrophobicContact CD1-CB 3.77Å | ||
| 702 | S | 88.1 | Confident | 84.6 | Confident | 89 Ų | 89 | 65 Ų | 65 | 62% | 0.622 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -86.1 | -17 | -172.1 | -43.8 | 0 | 0 | 0 | 0 | 114.2 | Y691 G694 K700 | Y691-S702 WeakPolarHBondContact CE2-O 3.36Å; Y691-S702 PolarHBondContact OH-O 3.01Å; G694-S702 CarbonylContact O-C 3.51Å; G694-S702 VanDerWaalsContact O-CA 3.23Å; G694-S702 WeakPolarHBondContact O-CA 3.46Å; K700-S702 PolarHBondContact O-N 2.91Å |
| 703 | A | 85.4 | Confident | 83.7 | Confident | 48 Ų | 48 | 66 Ų | 66 | 40% | 0.397 | 40% | 0.403 | S | S | . | . | trans | -88.3 | 126.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | W696 T705 A706 | W696-A703 PolarHBondContact NE1-O 2.94Å; A703-T705 PolarHBondContact O-N 3.12Å; A703-A706 HydrophobicContact CB-CB 4.35Å; A703-A706 VanDerWaalsContact O-CB 3.26Å; A703-A706 WeakPolarHBondContact O-CB 3.13Å; A703-A706 PolarHBondContact O-N 2.94Å | ||
| 704 | D | 80.4 | Confident | 82.2 | Confident | 103 Ų | 103 | 60.9 Ų | 60.9 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -13.2 | 175.3 | 63.5 | -16.7 | 0 | 0 | 0 | 113.1 | Y691 W696 | Y691-D704 HydrophobicContact CD1-CB 3.97Å; Y691-D704 HydrophobicContact CD2-CB 3.95Å; Y691-D704 HydrophobicContact CE1-CB 3.85Å; Y691-D704 HydrophobicContact CE2-CB 3.83Å; Y691-D704 HydrophobicContact CG-CB 4.01Å; W696-D704 WeakPolarHBondContact CZ2-O 3.27Å |
| 705 | T | 83 | Confident | 80.2 | Confident | 125 Ų | 125 | 62.8 Ų | 62.8 | 77% | 0.767 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 5.1 | 172 | 61 | 0 | 0 | 0 | 0 | 113.8 | A703 | A703-T705 PolarHBondContact O-N 3.12Š|
| 706 | A | 84.7 | Confident | 77.7 | Confident | 18 Ų | 18 | 67.8 Ų | 67.8 | 15% | 0.149 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -62 | 142.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H687 L701 A703 | H687-A706 PolarHBondContact NE2-O 2.98Å; L701-A706 HydrophobicContact CB-CB 4.13Å; L701-A706 HydrophobicContact CD1-CB 3.77Å; A703-A706 HydrophobicContact CB-CB 4.35Å; A703-A706 VanDerWaalsContact O-CB 3.26Å; A703-A706 WeakPolarHBondContact O-CB 3.13Å; A703-A706 PolarHBondContact O-N 2.94Å |
| 707 | P | 85.2 | Confident | 75.1 | Confident | 104 Ų | 104 | 72.9 Ų | 72.9 | 68% | 0.675 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 150.6 | 176 | 27.3 | -34.9 | 0 | 0 | 0 | 111 | H687 | H687-P707 PolarHBondContact CE1-O 2.93Å; H687-P707 PolarHBondContact NE2-O 3.46Å |
| 708 | G | 86.6 | Confident | 72.3 | Confident | 17 Ų | 17 | 72.5 Ų | 72.5 | 18% | 0.175 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 145.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T685 Y686 | T685-G708 WeakPolarHBondContact CB-O 3.48Å; T685-G708 PolarHBondContact OG1-O 3.04Å; Y686-G708 VanDerWaalsContact C-CA 3.4Å; Y686-G708 CarbonylContact O-C 3.54Å; Y686-G708 VanDerWaalsContact O-CA 3.31Å; Y686-G708 WeakPolarHBondContact O-CA 3.45Å |
| 709 | C | 86.9 | Confident | 69.7 | Low | 61 Ų | 61 | 77.7 Ų | 77.7 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -90.9 | -8 | 177.5 | 64.4 | 0 | 0 | 0 | 0 | 114.1 | Y686 P688 C699 | Y686-C709 PolarHBondContact O-N 3.34Å; P688-C709 WeakPolarHBondContact CD-SG 3.37Å; C699-C709 HydrophobicContact CB-CB 3.92Å |
| 710 | T | 82.3 | Confident | 67.2 | Low | 45 Ų | 45 | 80.6 Ų | 80.6 | 28% | 0.276 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 138.1 | -174.4 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | T685 Y686 P688 | T685-T710 CarbonylContact C-O 3.5Å; T685-T710 WeakPolarHBondContact CA-O 3.4Å; T685-T710 WeakPolarHBondContact CB-O 3.19Å; Y686-T710 WeakPolarHBondContact CD1-O 3.43Å; Y686-T710 HydrophobicContact CE1-CG2 3.98Å; Y686-T710 PolarHBondContact N-O 3.26Å; Y686-T710 PolarHBondContact O-N 3.19Å; P688-T710 WeakPolarHBondContact CD-OG1 3.47Å |
| 711 | P | 77.8 | Confident | 65 | Low | 98 Ų | 98 | 80.6 Ų | 80.6 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 139.9 | 174.7 | -22.3 | 33.5 | 0 | 0 | 0 | 112.3 | S684 Y686 | S684-P711 WeakPolarHBondContact O-CA 3.28Å; Y686-P711 VanDerWaalsContact CE1-O 3.24Å; Y686-P711 WeakPolarHBondContact CE1-O 3.23Å |
| 712 | C | 75.9 | Confident | 62.9 | Low | 18 Ų | 18 | 81.5 Ų | 81.5 | 12% | 0.122 | 52% | 0.517 | C | S | . | . | trans | -68.5 | 148.1 | 174.8 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | L683 S684 T685 Y686 G714 | L683-C712 PolarHBondContact O-SG 2.92Å; S684-C712 PolarHBondContact O-N 3.49Å; T685-C712 VanDerWaalsContact C-SG 3.54Å; Y686-C712 HydrophobicContact CD1-CB 4.41Å; C712-G714 PolarHBondContact O-N 3.47Å | ||
| 713 | T | 64.9 | Low | 61 | Low | 55 Ų | 55 | 80.6 Ų | 80.6 | 34% | 0.337 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -79.3 | 112.9 | 176.7 | -28.4 | 0 | 0 | 0 | 0 | 108.5 | M1 E633 R682 | M1-T713 HydrophobicContact SD-CG2 3.61Å; E633-T713 PolarHBondContact OE1-N 3.04Å; E633-T713 PolarHBondContact OE1-OG1 3.19Å; E633-T713 WeakPolarHBondContact OE2-CB 3.27Å; E633-T713 PolarHBondContact OE2-OG1 2.97Å; R682-T713 PolarHBondContact NH2-O 3.39Å |
| 714 | G | 50.9 | Low | 59.9 | Low | 47 Ų | 47 | 79.2 Ų | 79.2 | 49% | 0.485 | 49% | 0.492 | S | S | . | . | trans | 117 | 48.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117 | C712 L716 | C712-G714 PolarHBondContact O-N 3.47Å; G714-L716 VanDerWaalsContact C-N 3.34Å; G714-L716 PolarHBondContact O-N 3.4Å; G714-L716 VanDerWaalsContact O-N 3.16Å | ||
| 715 | G | 39.2 | Very low | 59.7 | Low | 80 Ų | 80 | 76 Ų | 76 | 83% | 0.825 | 48% | 0.475 | S | S | * | . | trans | -81.9 | 57.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 716 | L | 34.4 | Very low | 59.5 | Low | 156 Ų | 156 | 70.2 Ų | 70.2 | 82% | 0.817 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -132.2 | 148.3 | 170.2 | -75.8 | 168 | 0 | 0 | 0 | 111.6 | G714 | G714-L716 VanDerWaalsContact C-N 3.34Å; G714-L716 PolarHBondContact O-N 3.4Å; G714-L716 VanDerWaalsContact O-N 3.16Å |
| 717 | P | 33 | Very low | 59.7 | Low | 129 Ų | 129 | 70.5 Ų | 70.5 | 84% | 0.838 | 44% | 0.439 | S | S | * | . | trans | -69 | 149.4 | -167.4 | -13.9 | 28.3 | 0 | 0 | 0 | 114.4 | ||||
| 718 | A | 30 | Very low | 59.8 | Low | 42 Ų | 42 | 66.4 Ų | 66.4 | 35% | 0.347 | 41% | 0.41 | S | S | . | . | trans | -76.2 | 147.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | C678 | C678-A718 HydrophobicContact CB-CB 4.15Š| ||
| 719 | N | 30.6 | Very low | 59.9 | Low | 150 Ų | 150 | 66 Ų | 66 | 80% | 0.802 | 40% | 0.404 | S | S | * | . | trans | -166.5 | 118.4 | 135.5 | -86.5 | -27.1 | 0 | 0 | 0 | 110 | Q721 | N719-Q721 PolarHBondContact O-N 2.62Š| ||
| 720 | I | 34.1 | Very low | 60.2 | Low | 102 Ų | 102 | 63.1 Ų | 63.1 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | trans | -75.1 | 93.3 | 175 | -73.9 | 156.7 | 0 | 0 | 0 | 108.7 | V675 C678 | V675-I720 WeakPolarHBondContact O-CD1 3.42Å; C678-I720 HydrophobicContact CB-CD1 3.81Å; C678-I720 HydrophobicContact CB-CG1 4.36Å; C678-I720 VanDerWaalsContact SG-CD1 3.55Å; C678-I720 WeakPolarHBondContact SG-CG1 3.38Å; C678-I720 PolarHBondContact SG-N 3.21Å | ||
| 721 | Q | 43.2 | Very low | 60.7 | Low | 125 Ų | 125 | 61.2 Ų | 61.2 | 58% | 0.584 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -132.6 | 114.1 | 142.2 | -86.1 | 178.5 | -13.5 | 0 | 0 | 103.9 | N719 D723 | N719-Q721 PolarHBondContact O-N 2.62Å; Q721-D723 PolarHBondContact O-N 3.1Å |
| 722 | L | 44.4 | Very low | 61.3 | Low | 100 Ų | 100 | 58.6 Ų | 58.6 | 52% | 0.524 | 35% | 0.35 | S | S | . | . | trans | 24.6 | 91.7 | 176.9 | -78.3 | 154.2 | 0 | 0 | 0 | 113.1 | V724 | L722-V724 HydrophobicContact CB-CG2 4.4Å; L722-V724 WeakPolarHBondContact O-CG2 3.21Å; L722-V724 PolarHBondContact O-N 3.36Å | ||
| 723 | D | 48 | Very low | 62.2 | Low | 69 Ų | 69 | 57.7 Ų | 57.7 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | trans | -61.5 | 79.9 | 179.8 | -177 | 31 | 0 | 0 | 0 | 110.9 | K674 Q677 Q721 | K674-D723 HydrophobicContact CD-CB 4.05Å; K674-D723 WeakPolarHBondContact CE-OD2 3.49Å; K674-D723 HydrophobicContact CG-CB 4.03Å; K674-D723 WeakPolarHBondContact CG-OD2 3.43Å; K674-D723 PolarHBondContact NZ-O 2.86Å; K674-D723 IonicContact NZ-OD2 2.67Å; Q677-D723 PolarHBondContact NE2-OD2 2.74Å; Q677-D723 VanDerWaalsContact NE2-OD2 3.13Å; Q677-D723 PolarHBondContact OE1-OD2 3.18Å; Q721-D723 PolarHBondContact O-N 3.1Å | ||
| 724 | V | 63.1 | Low | 63.6 | Low | 20 Ų | 20 | 55.5 Ų | 55.5 | 12% | 0.121 | 33% | 0.329 | C | S | . | . | trans | -89.3 | 124.3 | 170.1 | 171.1 | 0 | 0 | 0 | 0 | 105.3 | R340 H344 L722 G726 E729 | R340-V724 HydrophobicContact CB-CG1 3.74Å; R340-V724 HydrophobicContact CB-CG2 4.16Å; R340-V724 HydrophobicContact CG-CG2 4.39Å; H344-V724 HydrophobicContact CB-CB 4.14Å; H344-V724 HydrophobicContact CB-CG1 4.14Å; H344-V724 PolarHBondContact CE1-O 3.29Å; H344-V724 VanDerWaalsContact CE1-O 3.29Å; H344-V724 PolarHBondContact ND1-O 3.2Å; L722-V724 HydrophobicContact CB-CG2 4.4Å; L722-V724 WeakPolarHBondContact O-CG2 3.21Å; L722-V724 PolarHBondContact O-N 3.36Å; V724-G726 PolarHBondContact O-N 2.88Å; V724-E729 HydrophobicContact CG1-CG 3.56Å | ||
| 725 | D | 75.3 | Confident | 65.5 | Low | 34 Ų | 34 | 55.3 Ų | 55.3 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | trans | -79.6 | 98.6 | 175.7 | -176.8 | -19.7 | 0 | 0 | 0 | 108.8 | R9 D727 R728 E729 | R9-D725 IonicContact CZ-OD1 2.73Å; R9-D725 IonicContact CZ-OD2 3.46Å; R9-D725 VanDerWaalsContact CZ-OD2 3.31Å; R9-D725 IonicContact NH1-OD1 3.02Å; R9-D725 IonicContact NH1-OD2 2.82Å; R9-D725 PolarHBondContact NH1-OD2 2.88Å; R9-D725 IonicContact NH2-OD1 2.94Å; R9-D725 PolarHBondContact NH2-OD1 3.05Å; R9-D725 IonicContact NH2-OD2 3.83Å; R9-D725 PolarHBondContact NH2-OD2 2.9Å; D725-D727 PolarHBondContact O-N 3.4Å; D725-D727 PolarHBondContact OD1-N 3.4Å; D725-R728 HydrophobicContact CB-CB 3.77Å; D725-R728 VanDerWaalsContact CG-CB 3.49Å; D725-R728 PolarHBondContact O-N 3.3Å; D725-R728 VanDerWaalsContact O-N 3.11Å; D725-R728 PolarHBondContact OD1-N 3.04Å; D725-R728 VanDerWaalsContact OD1-N 3.11Å; D725-E729 PolarHBondContact O-N 3.46Å | ||
| 726 | G | 79.2 | Confident | 68 | Low | 4 Ų | 4 | 52.8 Ų | 52.8 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.2 | -34.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L341 V724 T730 | L341-G726 WeakPolarHBondContact CD1-O 3.4Å; V724-G726 PolarHBondContact O-N 2.88Å; G726-T730 WeakPolarHBondContact O-CB 3.29Å; G726-T730 PolarHBondContact O-N 3.08Å; G726-T730 PolarHBondContact O-OG1 3.31Å |
| 727 | D | 88.3 | Confident | 70.9 | Confident | 25 Ų | 25 | 45.4 Ų | 45.4 | 13% | 0.134 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.3 | -42.4 | 177.3 | -65 | -21.6 | 0 | 0 | 0 | 110.7 | R9 V294 S297 Y300 R304 D725 T730 E731 | R9-D727 IonicContact NH2-OD2 3.26Å; V294-D727 HydrophobicContact CG1-CB 3.77Å; S297-D727 WeakPolarHBondContact CA-OD1 3.21Å; S297-D727 WeakPolarHBondContact CA-OD2 3.46Å; S297-D727 WeakPolarHBondContact CB-OD1 3.23Å; S297-D727 VanDerWaalsContact CB-OD2 3.31Å; S297-D727 WeakPolarHBondContact CB-OD2 3.26Å; S297-D727 PolarHBondContact N-OD2 2.92Å; S297-D727 PolarHBondContact OG-OD1 2.95Å; Y300-D727 HydrophobicContact CD2-CB 3.84Å; Y300-D727 HydrophobicContact CE2-CB 4Å; R304-D727 IonicContact NH1-OD1 3.42Å; R304-D727 PolarHBondContact NH1-OD1 3.49Å; D725-D727 PolarHBondContact O-N 3.4Å; D725-D727 PolarHBondContact OD1-N 3.4Å; D727-T730 PolarHBondContact O-N 2.9Å; D727-E731 WeakPolarHBondContact O-CB 3.38Å; D727-E731 PolarHBondContact O-N 3.35Å |
| 728 | R | 87.4 | Confident | 73.7 | Confident | 18 Ų | 18 | 41 Ų | 41 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 175.7 | -175.5 | -179.1 | -179.3 | -168.4 | 2.7 | 112.6 | F11 E68 D292 V294 D725 T730 E731 R732 | F11-R728 HydrophobicContact CD2-CG 4.33Å; E68-R728 IonicContact OE1-CZ 2.64Å; E68-R728 IonicContact OE1-NH1 3.86Å; E68-R728 PolarHBondContact OE1-NH1 2.97Å; E68-R728 IonicContact OE1-NH2 2.59Å; E68-R728 PolarHBondContact OE1-NH2 2.96Å; D292-R728 IonicContact OD2-CZ 3.76Å; D292-R728 IonicContact OD2-NE 3.84Å; D292-R728 PolarHBondContact OD2-NE 3.43Å; D292-R728 VanDerWaalsContact OD2-NE 3.1Å; D292-R728 IonicContact OD2-NH2 3.63Å; V294-R728 HydrophobicContact CG1-CB 4.47Å; V294-R728 HydrophobicContact CG2-CB 3.91Å; V294-R728 HydrophobicContact CG2-CG 3.92Å; D725-R728 HydrophobicContact CB-CB 3.77Å; D725-R728 VanDerWaalsContact CG-CB 3.49Å; D725-R728 PolarHBondContact O-N 3.3Å; D725-R728 VanDerWaalsContact O-N 3.11Å; D725-R728 PolarHBondContact OD1-N 3.04Å; D725-R728 VanDerWaalsContact OD1-N 3.11Å; R728-T730 VanDerWaalsContact C-N 3.27Å; R728-T730 PolarHBondContact O-N 2.95Å; R728-E731 WeakPolarHBondContact O-CB 3.3Å; R728-E731 PolarHBondContact O-N 3.05Å; R728-R732 WeakPolarHBondContact O-CG 3.35Å; R728-R732 PolarHBondContact O-N 3.18Å |
| 729 | E | 88.9 | Confident | 76.5 | Confident | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -32.5 | 176.8 | -58.2 | -53.7 | 147.1 | 0 | 0 | 111.1 | P337 R340 L341 V724 D725 R732 I733 | P337-E729 WeakPolarHBondContact CA-OE2 3.3Å; P337-E729 HydrophobicContact CB-CB 4.46Å; P337-E729 WeakPolarHBondContact CB-OE2 3.3Å; R340-E729 HydrophobicContact CB-CG 3.89Å; R340-E729 IonicContact NH1-OE1 2.69Å; L341-E729 HydrophobicContact CB-CB 4.31Å; V724-E729 HydrophobicContact CG1-CG 3.56Å; D725-E729 PolarHBondContact O-N 3.46Å; E729-R732 VanDerWaalsContact CD-NH1 3.26Å; E729-R732 PolarHBondContact O-N 3.47Å; E729-R732 IonicContact OE1-CZ 3.24Å; E729-R732 IonicContact OE1-NH1 3.21Å; E729-R732 PolarHBondContact OE1-NH1 3.19Å; E729-R732 IonicContact OE2-CZ 3.18Å; E729-R732 IonicContact OE2-NH1 2.68Å; E729-R732 PolarHBondContact OE2-NH1 3.37Å; E729-I733 WeakPolarHBondContact O-CD1 3.44Å; E729-I733 WeakPolarHBondContact O-CG1 3.36Å; E729-I733 PolarHBondContact O-N 2.73Å |
| 730 | T | 92.6 | Very high | 79.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.3 | -40.6 | 171.9 | -51.1 | 0 | 0 | 0 | 0 | 111.9 | Y300 L303 R304 G726 D727 R728 R732 I733 Y734 | Y300-T730 HydrophobicContact CD1-CG2 3.87Å; Y300-T730 HydrophobicContact CG-CG2 4.15Å; L303-T730 HydrophobicContact CB-CG2 4.44Å; L303-T730 HydrophobicContact CD2-CG2 4.13Å; L303-T730 HydrophobicContact CG-CG2 4.29Å; R304-T730 HydrophobicContact CB-CG2 4.36Å; G726-T730 WeakPolarHBondContact O-CB 3.29Å; G726-T730 PolarHBondContact O-N 3.08Å; G726-T730 PolarHBondContact O-OG1 3.31Å; D727-T730 PolarHBondContact O-N 2.9Å; R728-T730 VanDerWaalsContact C-N 3.27Å; R728-T730 PolarHBondContact O-N 2.95Å; T730-R732 VanDerWaalsContact C-N 3.32Å; T730-R732 PolarHBondContact O-N 2.88Å; T730-I733 PolarHBondContact O-N 3.13Å; T730-Y734 WeakPolarHBondContact O-CB 3.22Å; T730-Y734 PolarHBondContact O-N 3.39Å |
| 731 | E | 92.6 | Very high | 82.2 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.023 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60 | -40 | 173.5 | 177.7 | 59.9 | -157.6 | 0 | 0 | 112.1 | D292 V294 Y300 D727 R728 Y734 S735 H794 | D292-E731 HydrophobicContact CB-CG 4.45Å; V294-E731 HydrophobicContact CG2-CB 4.22Å; V294-E731 HydrophobicContact CG2-CG 4.19Å; Y300-E731 HydrophobicContact CE1-CB 4.03Å; Y300-E731 WeakPolarHBondContact CE1-OE2 2.94Å; Y300-E731 VanDerWaalsContact CZ-OE2 3.29Å; Y300-E731 PolarHBondContact OH-OE2 3Å; D727-E731 WeakPolarHBondContact O-CB 3.38Å; D727-E731 PolarHBondContact O-N 3.35Å; R728-E731 WeakPolarHBondContact O-CB 3.3Å; R728-E731 PolarHBondContact O-N 3.05Å; E731-Y734 WeakPolarHBondContact O-CB 3.4Å; E731-Y734 PolarHBondContact O-N 2.97Å; E731-S735 WeakPolarHBondContact O-CB 3.5Å; E731-S735 PolarHBondContact O-N 2.9Å; E731-S735 PolarHBondContact O-OG 3.19Å; E731-H794 IonicContact OE1-CE1 3.1Å; E731-H794 PolarHBondContact OE1-CE1 2.98Å; E731-H794 IonicContact OE1-NE2 3.11Å; E731-H794 PolarHBondContact OE1-NE2 3.45Å; E731-H794 IonicContact OE2-CE1 3.64Å; E731-H794 IonicContact OE2-NE2 3.85Å; E731-H794 PolarHBondContact OE2-NE2 3.37Å; E731-H794 VanDerWaalsContact OE2-NE2 3.12Å |
| 732 | R | 91.3 | Very high | 84.5 | Confident | 43 Ų | 43 | 34.7 Ų | 34.7 | 16% | 0.162 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 174.1 | -73.9 | 175.4 | 175.5 | 166 | -1.6 | 112.4 | D292 P337 R728 E729 T730 Y734 S735 L736 | D292-R732 IonicContact OD2-CZ 2.92Å; D292-R732 IonicContact OD2-NE 3.64Å; D292-R732 PolarHBondContact OD2-NE 3.4Å; D292-R732 IonicContact OD2-NH2 3.73Å; P337-R732 HydrophobicContact CB-CB 4.19Å; R728-R732 WeakPolarHBondContact O-CG 3.35Å; R728-R732 PolarHBondContact O-N 3.18Å; E729-R732 VanDerWaalsContact CD-NH1 3.26Å; E729-R732 PolarHBondContact O-N 3.47Å; E729-R732 IonicContact OE1-CZ 3.24Å; E729-R732 IonicContact OE1-NH1 3.21Å; E729-R732 PolarHBondContact OE1-NH1 3.19Å; E729-R732 IonicContact OE2-CZ 3.18Å; E729-R732 IonicContact OE2-NH1 2.68Å; E729-R732 PolarHBondContact OE2-NH1 3.37Å; T730-R732 VanDerWaalsContact C-N 3.32Å; T730-R732 PolarHBondContact O-N 2.88Å; R732-Y734 VanDerWaalsContact C-N 3.35Å; R732-S735 WeakPolarHBondContact O-CB 3.48Å; R732-S735 PolarHBondContact O-N 2.91Å; R732-L736 WeakPolarHBondContact O-CG 3.34Å; R732-L736 PolarHBondContact O-N 3.05Å |
| 733 | I | 94.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 175.8 | -69.7 | 161.8 | 0 | 0 | 0 | 110.6 | L307 L324 P337 L338 L341 E729 T730 S735 L736 F737 | L307-I733 HydrophobicContact CD1-CB 4.4Å; L307-I733 HydrophobicContact CD1-CD1 3.86Å; L307-I733 HydrophobicContact CD1-CG2 3.84Å; L307-I733 HydrophobicContact CD2-CD1 4.49Å; L307-I733 HydrophobicContact CD2-CG2 4.12Å; L324-I733 HydrophobicContact CD2-CB 4.44Å; L324-I733 HydrophobicContact CD2-CG1 4.21Å; L324-I733 HydrophobicContact CD2-CG2 3.72Å; P337-I733 HydrophobicContact CB-CD1 4.34Å; P337-I733 HydrophobicContact CB-CG1 3.91Å; P337-I733 HydrophobicContact CG-CG1 4.03Å; L338-I733 HydrophobicContact CD2-CD1 3.84Å; L338-I733 HydrophobicContact CD2-CG1 4.43Å; L338-I733 HydrophobicContact CG-CD1 4.43Å; L341-I733 HydrophobicContact CD2-CD1 3.77Å; E729-I733 WeakPolarHBondContact O-CD1 3.44Å; E729-I733 WeakPolarHBondContact O-CG1 3.36Å; E729-I733 PolarHBondContact O-N 2.73Å; T730-I733 PolarHBondContact O-N 3.13Å; I733-S735 VanDerWaalsContact C-N 3.34Å; I733-S735 PolarHBondContact O-N 3.4Å; I733-L736 WeakPolarHBondContact O-CB 3.4Å; I733-L736 PolarHBondContact O-N 2.8Å; I733-F737 HydrophobicContact CG2-CD2 3.79Å; I733-F737 HydrophobicContact CG2-CE2 3.55Å; I733-F737 WeakPolarHBondContact O-CD2 3.41Å; I733-F737 PolarHBondContact O-N 3.08Å |
| 734 | Y | 94.8 | Very high | 88.7 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56 | -47.9 | 171.6 | 154.3 | -100.9 | 0 | 0 | 0 | 111.4 | T730 E731 R732 L736 F737 C738 V787 L790 E791 H794 | T730-Y734 WeakPolarHBondContact O-CB 3.22Å; T730-Y734 PolarHBondContact O-N 3.39Å; E731-Y734 WeakPolarHBondContact O-CB 3.4Å; E731-Y734 PolarHBondContact O-N 2.97Å; R732-Y734 VanDerWaalsContact C-N 3.35Å; Y734-L736 VanDerWaalsContact C-N 3.29Å; Y734-L736 PolarHBondContact O-N 3.37Å; Y734-F737 PolarHBondContact O-N 3.48Å; Y734-F737 VanDerWaalsContact O-N 3.09Å; Y734-C738 WeakPolarHBondContact CE2-SG 3.41Å; Y734-C738 VanDerWaalsContact CZ-SG 3.56Å; Y734-C738 PolarHBondContact O-N 3.39Å; Y734-V787 HydrophobicContact CD2-CG1 3.92Å; Y734-V787 HydrophobicContact CE2-CG1 3.97Å; Y734-L790 HydrophobicContact CD2-CB 3.76Å; Y734-L790 HydrophobicContact CD2-CD1 3.98Å; Y734-L790 HydrophobicContact CE2-CB 3.66Å; Y734-L790 HydrophobicContact CG-CB 4.49Å; Y734-L790 HydrophobicContact CG-CD1 4.25Å; Y734-E791 HydrophobicContact CE2-CB 4.35Å; Y734-E791 VanDerWaalsContact OH-CA 3.31Å; Y734-E791 WeakPolarHBondContact OH-CA 3.42Å; Y734-E791 PolarHBondContact OH-OE2 2.99Å; Y734-H794 AromaticContact CD1-NE2 3.95Å; Y734-H794 AromaticContact CE1-CD2 3.34Å; Y734-H794 WeakPolarHBondContact CE1-CD2 3.19Å; Y734-H794 AromaticContact CE1-NE2 3.31Å; Y734-H794 VanDerWaalsContact CE1-NE2 3.31Å; Y734-H794 WeakPolarHBondContact CE1-NE2 3.47Å; Y734-H794 AromaticContact CZ-CD2 3.48Å; Y734-H794 VanDerWaalsContact CZ-CD2 3.48Å; Y734-H794 AromaticContact CZ-NE2 3.96Å; Y734-H794 PolarHBondContact OH-CD2 3.36Å |
| 735 | S | 91.3 | Very high | 90.1 | Very high | 43 Ų | 43 | 32 Ų | 32 | 30% | 0.301 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.9 | -38.1 | 178.5 | -65.6 | 0 | 0 | 0 | 0 | 112.6 | E731 R732 I733 T739 | E731-S735 WeakPolarHBondContact O-CB 3.5Å; E731-S735 PolarHBondContact O-N 2.9Å; E731-S735 PolarHBondContact O-OG 3.19Å; R732-S735 WeakPolarHBondContact O-CB 3.48Å; R732-S735 PolarHBondContact O-N 2.91Å; I733-S735 VanDerWaalsContact C-N 3.34Å; I733-S735 PolarHBondContact O-N 3.4Å; S735-T739 WeakPolarHBondContact O-CB 3.5Å; S735-T739 PolarHBondContact O-N 3.14Å; S735-T739 PolarHBondContact O-OG1 3.42Å |
| 736 | L | 92.3 | Very high | 90.8 | Very high | 27 Ų | 27 | 35 Ų | 35 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.7 | -46.5 | 173.2 | -69.4 | 172.1 | 0 | 0 | 0 | 111.2 | L324 E333 P337 R732 I733 Y734 C738 T739 Y740 | L324-L736 HydrophobicContact CD1-CB 3.91Å; L324-L736 HydrophobicContact CD2-CD1 4.48Å; E333-L736 HydrophobicContact CB-CD2 4.35Å; P337-L736 HydrophobicContact CG-CD1 4.15Å; R732-L736 WeakPolarHBondContact O-CG 3.34Å; R732-L736 PolarHBondContact O-N 3.05Å; I733-L736 WeakPolarHBondContact O-CB 3.4Å; I733-L736 PolarHBondContact O-N 2.8Å; Y734-L736 VanDerWaalsContact C-N 3.29Å; Y734-L736 PolarHBondContact O-N 3.37Å; L736-C738 VanDerWaalsContact C-N 3.34Å; L736-C738 PolarHBondContact O-N 3.41Å; L736-T739 WeakPolarHBondContact O-CB 3.18Å; L736-T739 PolarHBondContact O-N 2.64Å; L736-Y740 HydrophobicContact CD2-CE2 4.41Å; L736-Y740 VanDerWaalsContact O-CD2 3.28Å; L736-Y740 WeakPolarHBondContact O-CD2 3.46Å; L736-Y740 PolarHBondContact O-N 3.25Å |
| 737 | F | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -40.5 | 176.2 | -77.4 | -52.8 | 0 | 0 | 0 | 112.8 | L303 T320 L324 I733 Y734 Y740 M741 L744 I783 V787 | L303-F737 HydrophobicContact CD1-CD2 4.26Å; L303-F737 HydrophobicContact CD1-CE2 4.04Å; T320-F737 HydrophobicContact CG2-CE2 4.08Å; T320-F737 HydrophobicContact CG2-CZ 3.79Å; L324-F737 HydrophobicContact CB-CE1 3.79Å; L324-F737 HydrophobicContact CB-CZ 3.7Å; L324-F737 HydrophobicContact CD1-CD1 3.64Å; L324-F737 HydrophobicContact CD1-CD2 4.29Å; L324-F737 HydrophobicContact CD1-CE1 3.56Å; L324-F737 HydrophobicContact CD1-CE2 4.18Å; L324-F737 HydrophobicContact CD1-CG 4.05Å; L324-F737 HydrophobicContact CD1-CZ 3.84Å; L324-F737 HydrophobicContact CG-CE1 4.24Å; L324-F737 HydrophobicContact CG-CZ 4.21Å; I733-F737 HydrophobicContact CG2-CD2 3.79Å; I733-F737 HydrophobicContact CG2-CE2 3.55Å; I733-F737 WeakPolarHBondContact O-CD2 3.41Å; I733-F737 PolarHBondContact O-N 3.08Å; Y734-F737 PolarHBondContact O-N 3.48Å; Y734-F737 VanDerWaalsContact O-N 3.09Å; F737-Y740 CarbonylContact O-C 3.59Å; F737-Y740 PolarHBondContact O-N 2.94Å; F737-M741 WeakPolarHBondContact O-CA 3.31Å; F737-M741 PolarHBondContact O-N 2.99Å; F737-L744 HydrophobicContact CB-CD1 4.2Å; F737-L744 HydrophobicContact CD1-CD1 3.61Å; F737-L744 HydrophobicContact CD1-CD2 4.33Å; F737-L744 HydrophobicContact CD1-CG 4.41Å; F737-L744 HydrophobicContact CE1-CD1 4.4Å; F737-L744 HydrophobicContact CE1-CD2 4.34Å; F737-L744 HydrophobicContact CG-CD1 4.31Å; F737-I783 HydrophobicContact CD1-CG2 4.09Å; F737-I783 HydrophobicContact CD2-CG2 4.34Å; F737-I783 HydrophobicContact CE1-CG2 3.95Å; F737-I783 HydrophobicContact CE2-CG2 4.23Å; F737-I783 HydrophobicContact CG-CG2 4.25Å; F737-I783 HydrophobicContact CZ-CD1 4.42Å; F737-I783 HydrophobicContact CZ-CG2 4.01Å; F737-V787 HydrophobicContact CB-CG1 4.29Å; F737-V787 HydrophobicContact CB-CG2 3.77Å; F737-V787 HydrophobicContact CD2-CG2 4.12Å; F737-V787 HydrophobicContact CG-CG2 4.18Å |
| 738 | C | 91.2 | Very high | 91.3 | Very high | 37 Ų | 37 | 35.6 Ų | 35.6 | 25% | 0.25 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 173.2 | -77.4 | 0 | 0 | 0 | 0 | 112 | Y734 L736 Y740 M741 V787 E791 | Y734-C738 WeakPolarHBondContact CE2-SG 3.41Å; Y734-C738 VanDerWaalsContact CZ-SG 3.56Å; Y734-C738 PolarHBondContact O-N 3.39Å; L736-C738 VanDerWaalsContact C-N 3.34Å; L736-C738 PolarHBondContact O-N 3.41Å; C738-Y740 VanDerWaalsContact C-N 3.29Å; C738-Y740 PolarHBondContact O-N 3.4Å; C738-M741 WeakPolarHBondContact O-CB 3.39Å; C738-M741 PolarHBondContact O-N 2.97Å; C738-V787 WeakPolarHBondContact SG-CG1 3.27Å; C738-E791 PolarHBondContact SG-OE2 3.16Å |
| 739 | T | 90 | Very high | 91.3 | Very high | 104 Ų | 104 | 39.5 Ų | 39.5 | 64% | 0.638 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -60.4 | -39.6 | 178.6 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | S735 L736 | S735-T739 WeakPolarHBondContact O-CB 3.5Å; S735-T739 PolarHBondContact O-N 3.14Å; S735-T739 PolarHBondContact O-OG1 3.42Å; L736-T739 WeakPolarHBondContact O-CB 3.18Å; L736-T739 PolarHBondContact O-N 2.64Å |
| 740 | Y | 91.8 | Very high | 91.1 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 18% | 0.18 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 17.9 | -178.5 | -65 | -76.5 | 0 | 0 | 0 | 113.6 | C328 R329 E333 L736 F737 C738 T742 K743 L744 | C328-Y740 HydrophobicContact CB-CE2 4.24Å; R329-Y740 HydrophobicContact CB-CE1 4.36Å; R329-Y740 PolarHBondContact N-OH 2.75Å; E333-Y740 PolarHBondContact OE2-OH 2.7Å; L736-Y740 HydrophobicContact CD2-CE2 4.41Å; L736-Y740 VanDerWaalsContact O-CD2 3.28Å; L736-Y740 WeakPolarHBondContact O-CD2 3.46Å; L736-Y740 PolarHBondContact O-N 3.25Å; F737-Y740 CarbonylContact O-C 3.59Å; F737-Y740 PolarHBondContact O-N 2.94Å; C738-Y740 VanDerWaalsContact C-N 3.29Å; C738-Y740 PolarHBondContact O-N 3.4Å; Y740-T742 VanDerWaalsContact C-N 3.31Å; Y740-T742 PolarHBondContact O-N 3.49Å; Y740-K743 WeakPolarHBondContact O-CB 3.39Å; Y740-K743 PolarHBondContact O-N 3.36Å; Y740-L744 PolarHBondContact O-N 3.29Å |
| 741 | M | 92.4 | Very high | 90.8 | Very high | 34 Ų | 34 | 39.1 Ų | 39.1 | 17% | 0.167 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.4 | -40.4 | -174.7 | -176.2 | 60.9 | 70 | 0 | 0 | 112.9 | F737 C738 K743 L744 I745 I784 V787 | F737-M741 WeakPolarHBondContact O-CA 3.31Å; F737-M741 PolarHBondContact O-N 2.99Å; C738-M741 WeakPolarHBondContact O-CB 3.39Å; C738-M741 PolarHBondContact O-N 2.97Å; M741-K743 VanDerWaalsContact C-N 3.27Å; M741-K743 PolarHBondContact O-N 3.18Å; M741-L744 WeakPolarHBondContact O-CB 3.42Å; M741-L744 PolarHBondContact O-N 3.4Å; M741-L744 HydrophobicContact SD-CD1 4.27Å; M741-I745 HydrophobicContact CG-CD1 4.07Å; M741-I745 WeakPolarHBondContact O-CG1 3.3Å; M741-I745 PolarHBondContact O-N 3.42Å; M741-I745 HydrophobicContact SD-CD1 4.44Å; M741-I745 HydrophobicContact SD-CG1 4.43Å; M741-I784 HydrophobicContact SD-CG1 4.32Å; M741-V787 HydrophobicContact CE-CB 3.99Å; M741-V787 HydrophobicContact CE-CG1 3.34Å |
| 742 | T | 90.8 | Very high | 90.3 | Very high | 102 Ų | 102 | 39.8 Ų | 39.8 | 63% | 0.626 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -60.7 | -37.1 | 177 | -49.9 | 0 | 0 | 0 | 0 | 112 | Y740 K746 | Y740-T742 VanDerWaalsContact C-N 3.31Å; Y740-T742 PolarHBondContact O-N 3.49Å; T742-K746 WeakPolarHBondContact O-CG 3.36Å; T742-K746 PolarHBondContact O-N 2.98Å |
| 743 | K | 90.8 | Very high | 89.7 | Confident | 67 Ų | 67 | 40.2 Ų | 40.2 | 29% | 0.291 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -74.2 | -35.8 | 178.3 | -170.1 | 175.3 | 169 | -167.5 | 0 | 111.5 | E326 V327 Y740 M741 K746 M747 F768 | E326-K743 PolarHBondContact O-NZ 3.18Å; V327-K743 HydrophobicContact CB-CD 4.27Å; V327-K743 HydrophobicContact CG1-CG 4.41Å; V327-K743 WeakPolarHBondContact O-CD 2.96Å; V327-K743 PolarHBondContact O-NZ 2.9Å; Y740-K743 WeakPolarHBondContact O-CB 3.39Å; Y740-K743 PolarHBondContact O-N 3.36Å; M741-K743 VanDerWaalsContact C-N 3.27Å; M741-K743 PolarHBondContact O-N 3.18Å; K743-K746 PolarHBondContact O-N 3.49Å; K743-M747 WeakPolarHBondContact O-CB 3.48Å; K743-M747 PolarHBondContact O-N 2.62Å; K743-F768 HydrophobicContact CD-CE1 4.35Å; K743-F768 HydrophobicContact CG-CE1 3.79Å; K743-F768 HydrophobicContact CG-CZ 3.75Å |
| 744 | L | 91 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 171.8 | -82.1 | 167 | 0 | 0 | 0 | 112.1 | I323 V327 F737 Y740 M741 M747 Q748 L780 | I323-L744 HydrophobicContact CG2-CD2 3.73Å; V327-L744 HydrophobicContact CG1-CD2 3.96Å; V327-L744 HydrophobicContact CG1-CG 4.14Å; F737-L744 HydrophobicContact CB-CD1 4.2Å; F737-L744 HydrophobicContact CD1-CD1 3.61Å; F737-L744 HydrophobicContact CD1-CD2 4.33Å; F737-L744 HydrophobicContact CD1-CG 4.41Å; F737-L744 HydrophobicContact CE1-CD1 4.4Å; F737-L744 HydrophobicContact CE1-CD2 4.34Å; F737-L744 HydrophobicContact CG-CD1 4.31Å; Y740-L744 PolarHBondContact O-N 3.29Å; M741-L744 WeakPolarHBondContact O-CB 3.42Å; M741-L744 PolarHBondContact O-N 3.4Å; M741-L744 HydrophobicContact SD-CD1 4.27Å; L744-M747 WeakPolarHBondContact O-CB 3.38Å; L744-M747 PolarHBondContact O-N 3.4Å; L744-Q748 PolarHBondContact O-N 3.1Å; L744-L780 HydrophobicContact CD2-CD2 3.53Å |
| 745 | I | 90.9 | Very high | 87.6 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 33% | 0.333 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 179.1 | -66.9 | 167.5 | 0 | 0 | 0 | 110.4 | M741 M747 Q748 E749 I784 | M741-I745 HydrophobicContact CG-CD1 4.07Å; M741-I745 WeakPolarHBondContact O-CG1 3.3Å; M741-I745 PolarHBondContact O-N 3.42Å; M741-I745 HydrophobicContact SD-CD1 4.44Å; M741-I745 HydrophobicContact SD-CG1 4.43Å; I745-M747 VanDerWaalsContact C-N 3.29Å; I745-M747 PolarHBondContact O-N 2.88Å; I745-Q748 WeakPolarHBondContact O-CA 3.36Å; I745-Q748 WeakPolarHBondContact O-CB 3.29Å; I745-Q748 PolarHBondContact O-N 2.89Å; I745-E749 HydrophobicContact CG2-CG 4.5Å; I745-E749 WeakPolarHBondContact O-CG 3.43Å; I745-E749 PolarHBondContact O-N 3.46Å; I745-I784 HydrophobicContact CG1-CD1 4.46Å |
| 746 | K | 89.8 | Confident | 86.2 | Confident | 99 Ų | 99 | 49 Ų | 49 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.3 | -39 | 174.9 | -72.5 | -174 | 175.8 | -157.5 | 0 | 112.9 | T742 K743 Q748 E749 A750 F768 | T742-K746 WeakPolarHBondContact O-CG 3.36Å; T742-K746 PolarHBondContact O-N 2.98Å; K743-K746 PolarHBondContact O-N 3.49Å; K746-Q748 VanDerWaalsContact C-N 3.33Å; K746-E749 PolarHBondContact O-N 3.04Å; K746-A750 WeakPolarHBondContact O-CB 3.15Å; K746-A750 PolarHBondContact O-N 3.01Å; K746-F768 HydrophobicContact CB-CE2 4.39Å; K746-F768 HydrophobicContact CB-CZ 4.46Å |
| 747 | M | 89.1 | Confident | 84.6 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 175.3 | -170.1 | 177.1 | 174.2 | 0 | 0 | 111.5 | I323 V327 K743 L744 I745 A750 C751 F768 I770 T776 L780 | I323-M747 HydrophobicContact CG1-CE 4.34Å; I323-M747 HydrophobicContact CG2-SD 4.34Å; V327-M747 HydrophobicContact CG1-SD 4.36Å; K743-M747 WeakPolarHBondContact O-CB 3.48Å; K743-M747 PolarHBondContact O-N 2.62Å; L744-M747 WeakPolarHBondContact O-CB 3.38Å; L744-M747 PolarHBondContact O-N 3.4Å; I745-M747 VanDerWaalsContact C-N 3.29Å; I745-M747 PolarHBondContact O-N 2.88Å; M747-A750 PolarHBondContact O-N 2.82Å; M747-C751 PolarHBondContact O-N 3.2Å; M747-C751 PolarHBondContact O-SG 3Å; M747-F768 HydrophobicContact CB-CD1 4.13Å; M747-F768 HydrophobicContact CB-CD2 4.43Å; M747-F768 HydrophobicContact CB-CE1 3.85Å; M747-F768 HydrophobicContact CB-CE2 4.19Å; M747-F768 HydrophobicContact CB-CG 4.4Å; M747-F768 HydrophobicContact CB-CZ 3.88Å; M747-F768 HydrophobicContact CG-CD1 3.88Å; M747-F768 HydrophobicContact CG-CD2 4.49Å; M747-F768 HydrophobicContact CG-CE1 4.11Å; M747-F768 HydrophobicContact CG-CG 4.07Å; M747-F768 HydrophobicContact SD-CD1 4Å; M747-F768 HydrophobicContact SD-CE1 4.26Å; M747-I770 HydrophobicContact CE-CG1 4.35Å; M747-T776 HydrophobicContact CE-CG2 3.78Å; M747-L780 HydrophobicContact CB-CD1 4.27Å; M747-L780 HydrophobicContact CG-CD1 3.98Å |
| 748 | Q | 89.3 | Confident | 82.7 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 175.3 | -177.3 | 178.7 | 57.7 | 0 | 0 | 111.7 | L744 I745 K746 C751 G752 Y777 L780 I784 | L744-Q748 PolarHBondContact O-N 3.1Å; I745-Q748 WeakPolarHBondContact O-CA 3.36Å; I745-Q748 WeakPolarHBondContact O-CB 3.29Å; I745-Q748 PolarHBondContact O-N 2.89Å; K746-Q748 VanDerWaalsContact C-N 3.33Å; Q748-C751 PolarHBondContact O-N 3Å; Q748-G752 PolarHBondContact O-N 3.42Å; Q748-Y777 HydrophobicContact CG-CD2 3.67Å; Q748-Y777 HydrophobicContact CG-CE2 3.45Å; Q748-Y777 VanDerWaalsContact CG-CE2 3.45Å; Q748-Y777 WeakPolarHBondContact O-CD2 3.32Å; Q748-L780 HydrophobicContact CB-CB 4.24Å; Q748-L780 HydrophobicContact CB-CD1 3.99Å; Q748-L780 HydrophobicContact CG-CB 4.36Å; Q748-I784 HydrophobicContact CB-CD1 4.44Å |
| 749 | E | 87.5 | Confident | 80.9 | Confident | 99 Ų | 99 | 64.5 Ų | 64.5 | 46% | 0.463 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 174.4 | -70.1 | 168.5 | 170.1 | 0 | 0 | 111.3 | I745 K746 C751 G752 S753 | I745-E749 HydrophobicContact CG2-CG 4.5Å; I745-E749 WeakPolarHBondContact O-CG 3.43Å; I745-E749 PolarHBondContact O-N 3.46Å; K746-E749 PolarHBondContact O-N 3.04Å; E749-C751 PolarHBondContact O-N 3.23Å; E749-G752 PolarHBondContact O-N 3.2Å; E749-S753 PolarHBondContact O-N 3.39Å |
| 750 | A | 85.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | K746 M747 G752 S753 K754 Y765 I770 | K746-A750 WeakPolarHBondContact O-CB 3.15Å; K746-A750 PolarHBondContact O-N 3.01Å; M747-A750 PolarHBondContact O-N 2.82Å; A750-G752 VanDerWaalsContact C-N 3.35Å; A750-S753 PolarHBondContact O-N 3.14Å; A750-K754 WeakPolarHBondContact O-CB 3.39Å; A750-K754 WeakPolarHBondContact O-CG 3.49Å; A750-K754 PolarHBondContact O-N 3.32Å; A750-Y765 HydrophobicContact CB-CD1 3.69Å; A750-Y765 HydrophobicContact CB-CE1 4.46Å; A750-Y765 HydrophobicContact CB-CG 3.93Å; A750-I770 HydrophobicContact CB-CD1 4.18Å |
| 751 | C | 85.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.9 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | M747 Q748 E749 K754 S755 T776 Y777 | M747-C751 PolarHBondContact O-N 3.2Å; M747-C751 PolarHBondContact O-SG 3Å; Q748-C751 PolarHBondContact O-N 3Å; E749-C751 PolarHBondContact O-N 3.23Å; C751-K754 PolarHBondContact O-N 3.05Å; C751-S755 WeakPolarHBondContact O-CB 3.48Å; C751-S755 PolarHBondContact O-N 3.09Å; C751-S755 PolarHBondContact O-OG 3.22Å; C751-T776 VanDerWaalsContact SG-CG2 3.57Å; C751-Y777 HydrophobicContact CB-CD2 4.12Å |
| 752 | G | 82.3 | Confident | 75.4 | Confident | 19 Ų | 19 | 73.7 Ų | 73.7 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.7 | -47 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q748 E749 A750 S755 V756 | Q748-G752 PolarHBondContact O-N 3.42Å; E749-G752 PolarHBondContact O-N 3.2Å; A750-G752 VanDerWaalsContact C-N 3.35Å; G752-S755 PolarHBondContact O-N 3.06Å; G752-S755 PolarHBondContact O-OG 3.2Å; G752-V756 WeakPolarHBondContact O-CG2 3.34Å; G752-V756 PolarHBondContact O-N 3.44Å |
| 753 | S | 79 | Confident | 73.7 | Confident | 53 Ų | 53 | 77.4 Ų | 77.4 | 37% | 0.371 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 177.6 | -171.1 | 0 | 0 | 0 | 0 | 112.2 | E749 A750 S755 V756 Y757 | E749-S753 PolarHBondContact O-N 3.39Å; A750-S753 PolarHBondContact O-N 3.14Å; S753-S755 PolarHBondContact O-N 3.26Å; S753-V756 PolarHBondContact O-N 3.07Å; S753-Y757 PolarHBondContact O-N 2.83Å |
| 754 | K | 76.1 | Confident | 71.8 | Confident | 61 Ų | 61 | 81 Ų | 81 | 27% | 0.265 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.4 | -24.3 | 178.1 | -73.2 | -174.8 | 174.9 | -158.5 | 0 | 113.4 | A750 C751 E761 I770 P773 | A750-K754 WeakPolarHBondContact O-CB 3.39Å; A750-K754 WeakPolarHBondContact O-CG 3.49Å; A750-K754 PolarHBondContact O-N 3.32Å; C751-K754 PolarHBondContact O-N 3.05Å; K754-E761 WeakPolarHBondContact CE-OE1 3.42Å; K754-E761 IonicContact NZ-OE1 3.61Å; K754-E761 PolarHBondContact NZ-OE1 2.84Å; K754-I770 HydrophobicContact CD-CD1 4.4Å; K754-P773 HydrophobicContact CB-CB 4.09Å; K754-P773 HydrophobicContact CB-CG 3.99Å |
| 755 | S | 67.3 | Low | 70.1 | Confident | 54 Ų | 54 | 83.1 Ų | 83.1 | 38% | 0.378 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -83 | -15.4 | 177.6 | 70 | 0 | 0 | 0 | 0 | 114.5 | C751 G752 S753 | C751-S755 WeakPolarHBondContact O-CB 3.48Å; C751-S755 PolarHBondContact O-N 3.09Å; C751-S755 PolarHBondContact O-OG 3.22Å; G752-S755 PolarHBondContact O-N 3.06Å; G752-S755 PolarHBondContact O-OG 3.2Å; S753-S755 PolarHBondContact O-N 3.26Å |
| 756 | V | 63.1 | Low | 68.5 | Low | 120 Ų | 120 | 83.6 Ų | 83.6 | 73% | 0.727 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -120.1 | -24.1 | -171.6 | -179.3 | 0 | 0 | 0 | 0 | 113.2 | G752 S753 | G752-V756 WeakPolarHBondContact O-CG2 3.34Å; G752-V756 PolarHBondContact O-N 3.44Å; S753-V756 PolarHBondContact O-N 3.07Å |
| 757 | Y | 57.6 | Low | 67.4 | Low | 177 Ų | 177 | 84 Ų | 84 | 69% | 0.694 | 45% | 0.451 | S | S | * | . | trans | -133.3 | 117.8 | -170.3 | -132.4 | -95.9 | 0 | 0 | 0 | 112 | S753 G759 | S753-Y757 PolarHBondContact O-N 2.83Å; Y757-G759 VanDerWaalsContact C-N 3.26Å; Y757-G759 PolarHBondContact O-N 3.22Å | ||
| 758 | D | 55.1 | Low | 66.6 | Low | 179 Ų | 179 | 84.8 Ų | 84.8 | 96% | 0.957 | 45% | 0.454 | S | S | * | . | trans | -86.6 | 22.2 | 175.7 | -83.2 | -29.3 | 0 | 0 | 0 | 113.4 | ||||
| 759 | G | 53.5 | Low | 65.8 | Low | 34 Ų | 34 | 87.8 Ų | 87.8 | 35% | 0.351 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -81.2 | 171.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y757 E761 | Y757-G759 VanDerWaalsContact C-N 3.26Å; Y757-G759 PolarHBondContact O-N 3.22Å; G759-E761 PolarHBondContact O-N 3.49Å |
| 760 | P | 49.2 | Very low | 65.5 | Low | 133 Ų | 133 | 84.1 Ų | 84.1 | 86% | 0.864 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 132.4 | 179.6 | 23.4 | -31.7 | 0 | 0 | 0 | 111.3 | Q762 | P760-Q762 PolarHBondContact O-N 3.19Š|
| 761 | E | 54.4 | Low | 65.3 | Low | 128 Ų | 128 | 88 Ų | 88 | 60% | 0.598 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 126.7 | -178.1 | -69.3 | -170.6 | 139.4 | 0 | 0 | 110.7 | K754 G759 E763 | K754-E761 WeakPolarHBondContact CE-OE1 3.42Å; K754-E761 IonicContact NZ-OE1 3.61Å; K754-E761 PolarHBondContact NZ-OE1 2.84Å; G759-E761 PolarHBondContact O-N 3.49Å; E761-E763 PolarHBondContact O-N 3.38Å |
| 762 | Q | 55.6 | Low | 65.3 | Low | 116 Ų | 116 | 90.4 Ų | 90.4 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -65 | 130.7 | 168.9 | -67.8 | -178.8 | -9.9 | 0 | 0 | 108.8 | P760 E764 Y765 | P760-Q762 PolarHBondContact O-N 3.19Å; Q762-E764 PolarHBondContact O-N 2.89Å; Q762-Y765 HydrophobicContact CB-CD2 3.84Å; Q762-Y765 HydrophobicContact CB-CE2 4.13Å; Q762-Y765 PolarHBondContact O-N 3.5Å |
| 763 | E | 53.8 | Low | 65.4 | Low | 180 Ų | 180 | 91 Ų | 91 | 84% | 0.841 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -52.4 | -31.5 | -175.9 | -74.5 | -177.2 | 160.1 | 0 | 0 | 113.1 | E761 Y765 S766 | E761-E763 PolarHBondContact O-N 3.38Å; E763-Y765 VanDerWaalsContact C-N 3.28Å; E763-Y765 PolarHBondContact O-N 3Å; E763-S766 PolarHBondContact O-N 2.76Å; E763-S766 PolarHBondContact O-OG 2.93Å |
| 764 | E | 52.2 | Low | 65.8 | Low | 142 Ų | 142 | 95.1 Ų | 95.1 | 66% | 0.664 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -64.2 | -23.3 | 177.7 | -79.3 | -168.1 | 130 | 0 | 0 | 114.7 | Q762 | Q762-E764 PolarHBondContact O-N 2.89Š|
| 765 | Y | 55.2 | Low | 66.4 | Low | 46 Ų | 46 | 95.5 Ų | 95.5 | 18% | 0.18 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -100.7 | -5 | -177.4 | -57.6 | -51.9 | 0 | 0 | 0 | 114.3 | A750 Q762 E763 T767 | A750-Y765 HydrophobicContact CB-CD1 3.69Å; A750-Y765 HydrophobicContact CB-CE1 4.46Å; A750-Y765 HydrophobicContact CB-CG 3.93Å; Q762-Y765 HydrophobicContact CB-CD2 3.84Å; Q762-Y765 HydrophobicContact CB-CE2 4.13Å; Q762-Y765 PolarHBondContact O-N 3.5Å; E763-Y765 VanDerWaalsContact C-N 3.28Å; E763-Y765 PolarHBondContact O-N 3Å; Y765-T767 PolarHBondContact O-N 2.9Å; Y765-T767 VanDerWaalsContact O-N 3.13Å |
| 766 | S | 57.5 | Low | 67.5 | Low | 74 Ų | 74 | 93 Ų | 93 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -8.6 | 178.9 | 66.2 | 0 | 0 | 0 | 0 | 114.3 | E763 F768 | E763-S766 PolarHBondContact O-N 2.76Å; E763-S766 PolarHBondContact O-OG 2.93Å; S766-F768 VanDerWaalsContact C-N 3.35Å; S766-F768 PolarHBondContact O-N 2.93Å |
| 767 | T | 66 | Low | 68.9 | Low | 108 Ų | 108 | 91.9 Ų | 91.9 | 66% | 0.663 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -15.6 | -175.1 | -46.8 | 0 | 0 | 0 | 0 | 113.3 | Y765 | Y765-T767 PolarHBondContact O-N 2.9Å; Y765-T767 VanDerWaalsContact O-N 3.13Å |
| 768 | F | 72.1 | Confident | 70.5 | Confident | 22 Ų | 22 | 88.2 Ų | 88.2 | 10% | 0.096 | 46% | 0.462 | C | S | . | . | trans | -107 | 129.6 | -176.3 | -57.7 | -76.8 | 0 | 0 | 0 | 112.1 | K743 K746 M747 S766 I770 | K743-F768 HydrophobicContact CD-CE1 4.35Å; K743-F768 HydrophobicContact CG-CE1 3.79Å; K743-F768 HydrophobicContact CG-CZ 3.75Å; K746-F768 HydrophobicContact CB-CE2 4.39Å; K746-F768 HydrophobicContact CB-CZ 4.46Å; M747-F768 HydrophobicContact CB-CD1 4.13Å; M747-F768 HydrophobicContact CB-CD2 4.43Å; M747-F768 HydrophobicContact CB-CE1 3.85Å; M747-F768 HydrophobicContact CB-CE2 4.19Å; M747-F768 HydrophobicContact CB-CG 4.4Å; M747-F768 HydrophobicContact CB-CZ 3.88Å; M747-F768 HydrophobicContact CG-CD1 3.88Å; M747-F768 HydrophobicContact CG-CD2 4.49Å; M747-F768 HydrophobicContact CG-CE1 4.11Å; M747-F768 HydrophobicContact CG-CG 4.07Å; M747-F768 HydrophobicContact SD-CD1 4Å; M747-F768 HydrophobicContact SD-CE1 4.26Å; S766-F768 VanDerWaalsContact C-N 3.35Å; S766-F768 PolarHBondContact O-N 2.93Å; F768-I770 HydrophobicContact CB-CD1 3.95Å; F768-I770 HydrophobicContact CB-CG1 3.96Å; F768-I770 PolarHBondContact O-N 3.15Å | ||
| 769 | V | 72.2 | Confident | 72.3 | Confident | 98 Ų | 98 | 80.5 Ų | 80.5 | 59% | 0.594 | 42% | 0.421 | S | S | * | . | trans | -84.9 | 104.8 | 168.6 | -175.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 770 | I | 81.2 | Confident | 74.2 | Confident | 23 Ų | 23 | 78.9 Ų | 78.9 | 12% | 0.118 | 40% | 0.404 | C | S | . | . | trans | -117.4 | 107.8 | -178.5 | -59.8 | 161.8 | 0 | 0 | 0 | 107.9 | M747 A750 K754 F768 P773 | M747-I770 HydrophobicContact CE-CG1 4.35Å; A750-I770 HydrophobicContact CB-CD1 4.18Å; K754-I770 HydrophobicContact CD-CD1 4.4Å; F768-I770 HydrophobicContact CB-CD1 3.95Å; F768-I770 HydrophobicContact CB-CG1 3.96Å; F768-I770 PolarHBondContact O-N 3.15Å; I770-P773 HydrophobicContact CG2-CB 4.26Å; I770-P773 HydrophobicContact CG2-CG 4.02Å | ||
| 771 | D | 81.8 | Confident | 76.3 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -76.8 | -41.8 | 179.1 | -71 | 18 | 0 | 0 | 0 | 112 | P315 R362 | P315-D771 HydrophobicContact CG-CB 4.34Å; R362-D771 IonicContact CZ-OD1 2.74Å; R362-D771 IonicContact CZ-OD2 3.06Å; R362-D771 IonicContact NE-OD1 2.74Å; R362-D771 IonicContact NE-OD2 3.47Å; R362-D771 PolarHBondContact NE-OD2 3Å; R362-D771 IonicContact NH2-OD1 2.88Å; R362-D771 PolarHBondContact NH2-OD1 3.41Å; R362-D771 VanDerWaalsContact NH2-OD1 3.08Å; R362-D771 IonicContact NH2-OD2 2.82Å; R362-D771 PolarHBondContact NH2-OD2 3.35Å |
| 772 | D | 85.6 | Confident | 78.3 | Confident | 49 Ų | 49 | 77.1 Ų | 77.1 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | trans | -130.1 | 101.8 | 178.1 | -173.4 | -37.9 | 0 | 0 | 0 | 109.8 | P315 Q774 E775 T776 | P315-D772 HydrophobicContact CG-CB 3.66Å; D772-Q774 VanDerWaalsContact C-N 3.32Å; D772-Q774 PolarHBondContact O-N 2.93Å; D772-Q774 PolarHBondContact OD1-N 3.37Å; D772-E775 PolarHBondContact OD1-N 3.47Å; D772-T776 WeakPolarHBondContact O-CB 3.19Å; D772-T776 PolarHBondContact O-N 3.49Å; D772-T776 VanDerWaalsContact O-N 3.07Å; D772-T776 PolarHBondContact O-OG1 2.97Å | ||
| 773 | P | 85.8 | Confident | 80.1 | Confident | 33 Ų | 33 | 71.6 Ų | 71.6 | 21% | 0.214 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.9 | -33.2 | -179.8 | -24.9 | 34.6 | 0 | 0 | 0 | 114.4 | K754 I770 Y777 | K754-P773 HydrophobicContact CB-CB 4.09Å; K754-P773 HydrophobicContact CB-CG 3.99Å; I770-P773 HydrophobicContact CG2-CB 4.26Å; I770-P773 HydrophobicContact CG2-CG 4.02Å; P773-Y777 WeakPolarHBondContact O-CB 3.48Å; P773-Y777 PolarHBondContact O-N 3.35Å |
| 774 | Q | 86.8 | Confident | 82.1 | Confident | 139 Ų | 139 | 63.7 Ų | 63.7 | 65% | 0.65 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -75.4 | -51.5 | -174.2 | -67.8 | -174.3 | -6.1 | 0 | 0 | 111.3 | D772 T776 Y777 K778 | D772-Q774 VanDerWaalsContact C-N 3.32Å; D772-Q774 PolarHBondContact O-N 2.93Å; D772-Q774 PolarHBondContact OD1-N 3.37Å; Q774-T776 VanDerWaalsContact C-N 3.35Å; Q774-Y777 PolarHBondContact O-N 3.43Å; Q774-K778 PolarHBondContact O-N 2.69Å; Q774-K778 VanDerWaalsContact O-N 3.13Å |
| 775 | E | 89.4 | Confident | 84.2 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.9 | -36.3 | 178.1 | -76.5 | -61.8 | 125.2 | 0 | 0 | 111.1 | A318 D772 Y777 K778 T779 | A318-E775 HydrophobicContact CB-CB 4.19Å; D772-E775 PolarHBondContact OD1-N 3.47Å; E775-Y777 PolarHBondContact O-N 2.93Å; E775-K778 PolarHBondContact O-N 3.05Å; E775-K778 IonicContact OE1-NZ 3.74Å; E775-K778 PolarHBondContact OE1-NZ 2.73Å; E775-K778 IonicContact OE2-NZ 3.83Å; E775-K778 PolarHBondContact OE2-NZ 3.03Å; E775-T779 PolarHBondContact O-N 3.36Å; E775-T779 PolarHBondContact O-OG1 3.06Å |
| 776 | T | 90.2 | Very high | 86 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 174.1 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | I323 M747 C751 D772 Q774 K778 T779 L780 | I323-T776 HydrophobicContact CD1-CG2 4.3Å; M747-T776 HydrophobicContact CE-CG2 3.78Å; C751-T776 VanDerWaalsContact SG-CG2 3.57Å; D772-T776 WeakPolarHBondContact O-CB 3.19Å; D772-T776 PolarHBondContact O-N 3.49Å; D772-T776 VanDerWaalsContact O-N 3.07Å; D772-T776 PolarHBondContact O-OG1 2.97Å; Q774-T776 VanDerWaalsContact C-N 3.35Å; T776-K778 VanDerWaalsContact C-N 3.35Å; T776-K778 PolarHBondContact O-N 2.93Å; T776-T779 PolarHBondContact O-N 2.79Å; T776-L780 HydrophobicContact CG2-CD1 3.91Å; T776-L780 HydrophobicContact CG2-CG 4.37Å; T776-L780 WeakPolarHBondContact O-CB 3.44Å; T776-L780 VanDerWaalsContact O-CG 3.22Å; T776-L780 WeakPolarHBondContact O-CG 3.41Å; T776-L780 PolarHBondContact O-N 3.15Å |
| 777 | Y | 90.7 | Very high | 87.8 | Confident | 95 Ų | 95 | 55 Ų | 55 | 37% | 0.373 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 176.8 | -177 | -91.3 | 0 | 0 | 0 | 112.4 | Q748 C751 P773 Q774 E775 L780 K781 | Q748-Y777 HydrophobicContact CG-CD2 3.67Å; Q748-Y777 HydrophobicContact CG-CE2 3.45Å; Q748-Y777 VanDerWaalsContact CG-CE2 3.45Å; Q748-Y777 WeakPolarHBondContact O-CD2 3.32Å; C751-Y777 HydrophobicContact CB-CD2 4.12Å; P773-Y777 WeakPolarHBondContact O-CB 3.48Å; P773-Y777 PolarHBondContact O-N 3.35Å; Q774-Y777 PolarHBondContact O-N 3.43Å; E775-Y777 PolarHBondContact O-N 2.93Å; Y777-L780 PolarHBondContact O-N 3.15Å; Y777-K781 PolarHBondContact O-N 3.2Å |
| 778 | K | 91.8 | Very high | 89.1 | Confident | 101 Ų | 101 | 54.5 Ų | 54.5 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 178.4 | 179.2 | -172.1 | 175.8 | -164.1 | 0 | 111.6 | Q774 E775 T776 K781 Q782 | Q774-K778 PolarHBondContact O-N 2.69Å; Q774-K778 VanDerWaalsContact O-N 3.13Å; E775-K778 PolarHBondContact O-N 3.05Å; E775-K778 IonicContact OE1-NZ 3.74Å; E775-K778 PolarHBondContact OE1-NZ 2.73Å; E775-K778 IonicContact OE2-NZ 3.83Å; E775-K778 PolarHBondContact OE2-NZ 3.03Å; T776-K778 VanDerWaalsContact C-N 3.35Å; T776-K778 PolarHBondContact O-N 2.93Å; K778-K781 PolarHBondContact O-N 2.54Å; K778-Q782 PolarHBondContact O-N 3.05Å |
| 779 | T | 93.3 | Very high | 90.1 | Very high | 17 Ų | 17 | 56.5 Ų | 56.5 | 10% | 0.104 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 175.2 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | A318 T320 I323 E775 T776 K781 Q782 I783 | A318-T779 WeakPolarHBondContact O-CB 3.25Å; A318-T779 VanDerWaalsContact O-CG2 3.25Å; A318-T779 WeakPolarHBondContact O-CG2 3.29Å; A318-T779 PolarHBondContact O-OG1 2.95Å; T320-T779 WeakPolarHBondContact OG1-CG2 3.28Å; I323-T779 HydrophobicContact CD1-CG2 3.9Å; E775-T779 PolarHBondContact O-N 3.36Å; E775-T779 PolarHBondContact O-OG1 3.06Å; T776-T779 PolarHBondContact O-N 2.79Å; T779-K781 VanDerWaalsContact C-N 3.29Å; T779-K781 PolarHBondContact O-N 3.36Å; T779-Q782 WeakPolarHBondContact O-CB 3.45Å; T779-Q782 PolarHBondContact O-N 2.93Å; T779-Q782 VanDerWaalsContact O-N 3.1Å; T779-I783 HydrophobicContact CG2-CD1 3.86Å; T779-I783 HydrophobicContact CG2-CG1 4.23Å; T779-I783 VanDerWaalsContact O-CG1 3.29Å; T779-I783 WeakPolarHBondContact O-CG1 3.43Å; T779-I783 PolarHBondContact O-N 3.27Å |
| 780 | L | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.9 | -40.9 | 177.3 | -75.6 | 168.1 | 0 | 0 | 0 | 112.1 | I323 L744 M747 Q748 T776 Y777 Q782 I783 I784 | I323-L780 HydrophobicContact CD1-CD2 4.27Å; I323-L780 HydrophobicContact CD1-CG 4.23Å; I323-L780 HydrophobicContact CG2-CD2 3.76Å; L744-L780 HydrophobicContact CD2-CD2 3.53Å; M747-L780 HydrophobicContact CB-CD1 4.27Å; M747-L780 HydrophobicContact CG-CD1 3.98Å; Q748-L780 HydrophobicContact CB-CB 4.24Å; Q748-L780 HydrophobicContact CB-CD1 3.99Å; Q748-L780 HydrophobicContact CG-CB 4.36Å; T776-L780 HydrophobicContact CG2-CD1 3.91Å; T776-L780 HydrophobicContact CG2-CG 4.37Å; T776-L780 WeakPolarHBondContact O-CB 3.44Å; T776-L780 VanDerWaalsContact O-CG 3.22Å; T776-L780 WeakPolarHBondContact O-CG 3.41Å; T776-L780 PolarHBondContact O-N 3.15Å; Y777-L780 PolarHBondContact O-N 3.15Å; L780-Q782 VanDerWaalsContact C-N 3.35Å; L780-Q782 PolarHBondContact O-N 3.24Å; L780-I783 PolarHBondContact O-N 3.28Å; L780-I784 WeakPolarHBondContact O-CB 3.11Å; L780-I784 VanDerWaalsContact O-CG1 3.24Å; L780-I784 WeakPolarHBondContact O-CG1 3.38Å; L780-I784 PolarHBondContact O-N 3.18Å |
| 781 | K | 93.9 | Very high | 91.6 | Very high | 133 Ų | 133 | 54.2 Ų | 54.2 | 58% | 0.578 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.7 | -42.2 | 176.1 | -170.9 | 179.1 | 179.8 | 179.3 | 0 | 112 | Y777 K778 T779 S785 | Y777-K781 PolarHBondContact O-N 3.2Å; K778-K781 PolarHBondContact O-N 2.54Å; T779-K781 VanDerWaalsContact C-N 3.29Å; T779-K781 PolarHBondContact O-N 3.36Å; K781-S785 WeakPolarHBondContact O-CB 3.42Å; K781-S785 PolarHBondContact O-N 3.07Å; K781-S785 VanDerWaalsContact O-N 3.1Å |
| 782 | Q | 95.4 | Very high | 92 | Very high | 91 Ų | 91 | 56.6 Ų | 56.6 | 43% | 0.425 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 176.8 | -68.2 | 175.8 | -31.4 | 0 | 0 | 111.8 | L306 K778 T779 L780 S785 A786 | L306-Q782 HydrophobicContact CD1-CB 3.89Å; L306-Q782 HydrophobicContact CD2-CB 4.01Å; K778-Q782 PolarHBondContact O-N 3.05Å; T779-Q782 WeakPolarHBondContact O-CB 3.45Å; T779-Q782 PolarHBondContact O-N 2.93Å; T779-Q782 VanDerWaalsContact O-N 3.1Å; L780-Q782 VanDerWaalsContact C-N 3.35Å; L780-Q782 PolarHBondContact O-N 3.24Å; Q782-S785 PolarHBondContact O-N 3.45Å; Q782-A786 WeakPolarHBondContact O-CB 3.2Å; Q782-A786 PolarHBondContact O-N 3.11Å |
| 783 | I | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -53.2 | 176.8 | -65.8 | 167.3 | 0 | 0 | 0 | 110.3 | T320 I323 F737 T779 L780 S785 A786 V787 | T320-I783 HydrophobicContact CG2-CD1 3.78Å; T320-I783 HydrophobicContact CG2-CG1 3.74Å; I323-I783 HydrophobicContact CB-CD1 4.39Å; I323-I783 HydrophobicContact CD1-CD1 4.02Å; I323-I783 HydrophobicContact CG2-CD1 4.18Å; F737-I783 HydrophobicContact CD1-CG2 4.09Å; F737-I783 HydrophobicContact CD2-CG2 4.34Å; F737-I783 HydrophobicContact CE1-CG2 3.95Å; F737-I783 HydrophobicContact CE2-CG2 4.23Å; F737-I783 HydrophobicContact CG-CG2 4.25Å; F737-I783 HydrophobicContact CZ-CD1 4.42Å; F737-I783 HydrophobicContact CZ-CG2 4.01Å; T779-I783 HydrophobicContact CG2-CD1 3.86Å; T779-I783 HydrophobicContact CG2-CG1 4.23Å; T779-I783 VanDerWaalsContact O-CG1 3.29Å; T779-I783 WeakPolarHBondContact O-CG1 3.43Å; T779-I783 PolarHBondContact O-N 3.27Å; L780-I783 PolarHBondContact O-N 3.28Å; I783-S785 VanDerWaalsContact C-N 3.3Å; I783-S785 PolarHBondContact O-N 2.76Å; I783-A786 PolarHBondContact O-N 3.1Å; I783-V787 HydrophobicContact CG2-CG2 4.14Å; I783-V787 WeakPolarHBondContact O-CB 3.48Å; I783-V787 VanDerWaalsContact O-CG2 3.26Å; I783-V787 WeakPolarHBondContact O-CG2 3.41Å; I783-V787 PolarHBondContact O-N 2.71Å |
| 784 | I | 94.7 | Very high | 92.2 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | -177.1 | -69.5 | 166.7 | 0 | 0 | 0 | 110.2 | M741 I745 Q748 L780 V787 Q788 | M741-I784 HydrophobicContact SD-CG1 4.32Å; I745-I784 HydrophobicContact CG1-CD1 4.46Å; Q748-I784 HydrophobicContact CB-CD1 4.44Å; L780-I784 WeakPolarHBondContact O-CB 3.11Å; L780-I784 VanDerWaalsContact O-CG1 3.24Å; L780-I784 WeakPolarHBondContact O-CG1 3.38Å; L780-I784 PolarHBondContact O-N 3.18Å; I784-V787 PolarHBondContact O-N 3.44Å; I784-Q788 HydrophobicContact CG2-CG 4.23Å; I784-Q788 VanDerWaalsContact O-CB 3.29Å; I784-Q788 WeakPolarHBondContact O-CB 3.38Å; I784-Q788 WeakPolarHBondContact O-CG 3.43Å; I784-Q788 PolarHBondContact O-N 2.95Å |
| 785 | S | 95.4 | Very high | 92.1 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 177.5 | -180 | 0 | 0 | 0 | 0 | 112.9 | K781 Q782 I783 T789 | K781-S785 WeakPolarHBondContact O-CB 3.42Å; K781-S785 PolarHBondContact O-N 3.07Å; K781-S785 VanDerWaalsContact O-N 3.1Å; Q782-S785 PolarHBondContact O-N 3.45Å; I783-S785 VanDerWaalsContact C-N 3.3Å; I783-S785 PolarHBondContact O-N 2.76Å; S785-T789 PolarHBondContact O-N 3.38Å; S785-T789 VanDerWaalsContact O-N 3.09Å; S785-T789 PolarHBondContact O-OG1 3.02Å |
| 786 | A | 94.8 | Very high | 92 | Very high | 9 Ų | 9 | 55 Ų | 55 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P302 L303 L306 Q782 I783 T789 L790 | P302-A786 HydrophobicContact CB-CB 4.29Å; L303-A786 HydrophobicContact CB-CB 4.34Å; L306-A786 HydrophobicContact CD1-CB 4.34Å; Q782-A786 WeakPolarHBondContact O-CB 3.2Å; Q782-A786 PolarHBondContact O-N 3.11Å; I783-A786 PolarHBondContact O-N 3.1Å; A786-T789 PolarHBondContact O-N 3.13Å; A786-L790 PolarHBondContact O-N 2.72Å; A786-L790 VanDerWaalsContact O-N 3.11Å |
| 787 | V | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 179.7 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | L303 Y734 F737 C738 M741 I783 I784 T789 L790 E791 | L303-V787 HydrophobicContact CD1-CG2 4.43Å; Y734-V787 HydrophobicContact CD2-CG1 3.92Å; Y734-V787 HydrophobicContact CE2-CG1 3.97Å; F737-V787 HydrophobicContact CB-CG1 4.29Å; F737-V787 HydrophobicContact CB-CG2 3.77Å; F737-V787 HydrophobicContact CD2-CG2 4.12Å; F737-V787 HydrophobicContact CG-CG2 4.18Å; C738-V787 WeakPolarHBondContact SG-CG1 3.27Å; M741-V787 HydrophobicContact CE-CB 3.99Å; M741-V787 HydrophobicContact CE-CG1 3.34Å; I783-V787 HydrophobicContact CG2-CG2 4.14Å; I783-V787 WeakPolarHBondContact O-CB 3.48Å; I783-V787 VanDerWaalsContact O-CG2 3.26Å; I783-V787 WeakPolarHBondContact O-CG2 3.41Å; I783-V787 PolarHBondContact O-N 2.71Å; I784-V787 PolarHBondContact O-N 3.44Å; V787-T789 VanDerWaalsContact C-N 3.32Å; V787-T789 PolarHBondContact O-N 3.3Å; V787-L790 PolarHBondContact O-N 3.31Å; V787-E791 WeakPolarHBondContact O-CB 3.45Å; V787-E791 PolarHBondContact O-N 3.36Å |
| 788 | Q | 93.4 | Very high | 91.1 | Very high | 98 Ų | 98 | 57.6 Ų | 57.6 | 46% | 0.458 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 175.8 | -76 | 175.2 | -11.7 | 0 | 0 | 112.4 | I784 E791 Q792 | I784-Q788 HydrophobicContact CG2-CG 4.23Å; I784-Q788 VanDerWaalsContact O-CB 3.29Å; I784-Q788 WeakPolarHBondContact O-CB 3.38Å; I784-Q788 WeakPolarHBondContact O-CG 3.43Å; I784-Q788 PolarHBondContact O-N 2.95Å; Q788-E791 PolarHBondContact O-N 3.3Å; Q788-Q792 VanDerWaalsContact O-CG 3.29Å; Q788-Q792 WeakPolarHBondContact O-CG 3.47Å; Q788-Q792 PolarHBondContact O-N 3Å |
| 789 | T | 93.3 | Very high | 90.5 | Very high | 64 Ų | 64 | 60 Ų | 60 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 176.7 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | S785 A786 V787 Q792 Q793 | S785-T789 PolarHBondContact O-N 3.38Å; S785-T789 VanDerWaalsContact O-N 3.09Å; S785-T789 PolarHBondContact O-OG1 3.02Å; A786-T789 PolarHBondContact O-N 3.13Å; V787-T789 VanDerWaalsContact C-N 3.32Å; V787-T789 PolarHBondContact O-N 3.3Å; T789-Q792 PolarHBondContact O-N 3.47Å; T789-Q793 WeakPolarHBondContact O-CG 3.28Å; T789-Q793 PolarHBondContact O-N 2.93Å |
| 790 | L | 92 | Very high | 90 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 174.5 | -77.8 | 169.5 | 0 | 0 | 0 | 112 | H299 Y300 L303 Y734 A786 V787 Q792 Q793 H794 | H299-L790 HydrophobicContact CB-CD2 4.18Å; H299-L790 WeakPolarHBondContact O-CD2 3.24Å; Y300-L790 HydrophobicContact CD1-CD1 4.21Å; Y300-L790 HydrophobicContact CD1-CD2 4.05Å; Y300-L790 HydrophobicContact CE1-CD2 4.1Å; L303-L790 HydrophobicContact CB-CD1 4.22Å; L303-L790 HydrophobicContact CD2-CD1 3.99Å; Y734-L790 HydrophobicContact CD2-CB 3.76Å; Y734-L790 HydrophobicContact CD2-CD1 3.98Å; Y734-L790 HydrophobicContact CE2-CB 3.66Å; Y734-L790 HydrophobicContact CG-CB 4.49Å; Y734-L790 HydrophobicContact CG-CD1 4.25Å; A786-L790 PolarHBondContact O-N 2.72Å; A786-L790 VanDerWaalsContact O-N 3.11Å; V787-L790 PolarHBondContact O-N 3.31Å; L790-Q792 VanDerWaalsContact C-N 3.32Å; L790-Q792 PolarHBondContact O-N 3.45Å; L790-Q793 WeakPolarHBondContact O-CB 3.47Å; L790-Q793 PolarHBondContact O-N 3.33Å; L790-Q793 VanDerWaalsContact O-N 3.09Å; L790-H794 PolarHBondContact O-CD2 3.02Å; L790-H794 PolarHBondContact O-N 3.43Å |
| 791 | E | 91.4 | Very high | 89.2 | Confident | 68 Ų | 68 | 64.9 Ų | 64.9 | 32% | 0.318 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 177.4 | -175 | 65 | -138.4 | 0 | 0 | 112.6 | Y734 C738 V787 Q788 Q793 H794 T795 | Y734-E791 HydrophobicContact CE2-CB 4.35Å; Y734-E791 VanDerWaalsContact OH-CA 3.31Å; Y734-E791 WeakPolarHBondContact OH-CA 3.42Å; Y734-E791 PolarHBondContact OH-OE2 2.99Å; C738-E791 PolarHBondContact SG-OE2 3.16Å; V787-E791 WeakPolarHBondContact O-CB 3.45Å; V787-E791 PolarHBondContact O-N 3.36Å; Q788-E791 PolarHBondContact O-N 3.3Å; E791-Q793 VanDerWaalsContact C-N 3.3Å; E791-Q793 PolarHBondContact O-N 3.16Å; E791-H794 PolarHBondContact O-N 2.98Å; E791-T795 WeakPolarHBondContact O-CB 3.4Å; E791-T795 PolarHBondContact O-N 3.43Å; E791-T795 PolarHBondContact O-OG1 3.06Å |
| 792 | Q | 90.2 | Very high | 88.2 | Confident | 133 Ų | 133 | 65.7 Ų | 65.7 | 62% | 0.621 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.8 | -38.6 | 174.7 | -72.8 | 172.3 | 12.3 | 0 | 0 | 111.6 | Q788 T789 L790 T795 K796 | Q788-Q792 VanDerWaalsContact O-CG 3.29Å; Q788-Q792 WeakPolarHBondContact O-CG 3.47Å; Q788-Q792 PolarHBondContact O-N 3Å; T789-Q792 PolarHBondContact O-N 3.47Å; L790-Q792 VanDerWaalsContact C-N 3.32Å; L790-Q792 PolarHBondContact O-N 3.45Å; Q792-T795 PolarHBondContact O-N 2.68Å; Q792-K796 VanDerWaalsContact O-CB 3.31Å; Q792-K796 WeakPolarHBondContact O-CB 3.25Å; Q792-K796 PolarHBondContact O-N 3.36Å |
| 793 | Q | 89.3 | Confident | 87.2 | Confident | 55 Ų | 55 | 68.8 Ų | 68.8 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 176.8 | -65.9 | 170.7 | -8.5 | 0 | 0 | 111.4 | H299 T789 L790 E791 T795 K796 Y797 | H299-Q793 PolarHBondContact ND1-NE2 3.25Å; H299-Q793 PolarHBondContact ND1-OE1 3.06Å; T789-Q793 WeakPolarHBondContact O-CG 3.28Å; T789-Q793 PolarHBondContact O-N 2.93Å; L790-Q793 WeakPolarHBondContact O-CB 3.47Å; L790-Q793 PolarHBondContact O-N 3.33Å; L790-Q793 VanDerWaalsContact O-N 3.09Å; E791-Q793 VanDerWaalsContact C-N 3.3Å; E791-Q793 PolarHBondContact O-N 3.16Å; Q793-T795 PolarHBondContact O-N 3.48Å; Q793-K796 PolarHBondContact O-N 2.66Å; Q793-Y797 WeakPolarHBondContact O-CB 3.15Å; Q793-Y797 PolarHBondContact O-N 2.82Å |
| 794 | H | 87 | Confident | 86.4 | Confident | 6 Ų | 6 | 75.1 Ų | 75.1 | 3% | 0.028 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.8 | -46.6 | 172.1 | -88.7 | -75.2 | 0 | 0 | 0 | 112.3 | H293 F295 E731 Y734 L790 E791 Y797 K798 | H293-H794 PolarHBondContact O-CE1 2.92Å; F295-H794 AromaticContact CD2-NE2 3.83Å; F295-H794 HydrophobicContact CE2-CB 4.48Å; F295-H794 AromaticContact CE2-CD2 3.56Å; F295-H794 AromaticContact CE2-CE1 3.46Å; F295-H794 VanDerWaalsContact CE2-CE1 3.46Å; F295-H794 WeakPolarHBondContact CE2-CE1 3.12Å; F295-H794 AromaticContact CE2-CG 3.64Å; F295-H794 AromaticContact CE2-ND1 3.59Å; F295-H794 AromaticContact CE2-NE2 3.44Å; F295-H794 WeakPolarHBondContact CE2-NE2 3.39Å; E731-H794 IonicContact OE1-CE1 3.1Å; E731-H794 PolarHBondContact OE1-CE1 2.98Å; E731-H794 IonicContact OE1-NE2 3.11Å; E731-H794 PolarHBondContact OE1-NE2 3.45Å; E731-H794 IonicContact OE2-CE1 3.64Å; E731-H794 IonicContact OE2-NE2 3.85Å; E731-H794 PolarHBondContact OE2-NE2 3.37Å; E731-H794 VanDerWaalsContact OE2-NE2 3.12Å; Y734-H794 AromaticContact CD1-NE2 3.95Å; Y734-H794 AromaticContact CE1-CD2 3.34Å; Y734-H794 WeakPolarHBondContact CE1-CD2 3.19Å; Y734-H794 AromaticContact CE1-NE2 3.31Å; Y734-H794 VanDerWaalsContact CE1-NE2 3.31Å; Y734-H794 WeakPolarHBondContact CE1-NE2 3.47Å; Y734-H794 AromaticContact CZ-CD2 3.48Å; Y734-H794 VanDerWaalsContact CZ-CD2 3.48Å; Y734-H794 AromaticContact CZ-NE2 3.96Å; Y734-H794 PolarHBondContact OH-CD2 3.36Å; L790-H794 PolarHBondContact O-CD2 3.02Å; L790-H794 PolarHBondContact O-N 3.43Å; E791-H794 PolarHBondContact O-N 2.98Å; H794-Y797 PolarHBondContact O-N 2.93Å; H794-K798 WeakPolarHBondContact O-CG 3.03Å; H794-K798 PolarHBondContact O-N 3.01Å |
| 795 | T | 85.6 | Confident | 85.6 | Confident | 60 Ų | 60 | 76.1 Ų | 76.1 | 37% | 0.368 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 179.2 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | E791 Q792 Q793 K798 R799 | E791-T795 WeakPolarHBondContact O-CB 3.4Å; E791-T795 PolarHBondContact O-N 3.43Å; E791-T795 PolarHBondContact O-OG1 3.06Å; Q792-T795 PolarHBondContact O-N 2.68Å; Q793-T795 PolarHBondContact O-N 3.48Å; T795-K798 PolarHBondContact O-N 3.23Å; T795-R799 WeakPolarHBondContact O-CB 3.49Å; T795-R799 PolarHBondContact O-N 3.19Å |
| 796 | K | 86.6 | Confident | 84.9 | Confident | 136 Ų | 136 | 80.4 Ų | 80.4 | 59% | 0.591 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.7 | -48.8 | 175.6 | -177.3 | -178.7 | 176.1 | -173.9 | 0 | 110.9 | Q792 Q793 K798 R799 D800 | Q792-K796 VanDerWaalsContact O-CB 3.31Å; Q792-K796 WeakPolarHBondContact O-CB 3.25Å; Q792-K796 PolarHBondContact O-N 3.36Å; Q793-K796 PolarHBondContact O-N 2.66Å; K796-K798 PolarHBondContact O-N 3.19Å; K796-R799 WeakPolarHBondContact O-CB 3.47Å; K796-R799 PolarHBondContact O-N 3.03Å; K796-D800 WeakPolarHBondContact O-CB 3.3Å; K796-D800 PolarHBondContact O-N 3.04Å |
| 797 | Y | 84.2 | Confident | 84.2 | Confident | 32 Ų | 32 | 81.5 Ų | 81.5 | 13% | 0.125 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.5 | -48.4 | 177.3 | 174.1 | -99.1 | 0 | 0 | 0 | 112 | L8 F295 Q793 H794 R799 D800 K801 | L8-Y797 HydrophobicContact CB-CE2 4.19Å; L8-Y797 HydrophobicContact CD2-CD1 3.95Å; L8-Y797 HydrophobicContact CD2-CE1 3.33Å; L8-Y797 HydrophobicContact CD2-CE2 4.05Å; F295-Y797 HydrophobicContact CE1-CG 4.33Å; F295-Y797 HydrophobicContact CZ-CG 4.35Å; Q793-Y797 WeakPolarHBondContact O-CB 3.15Å; Q793-Y797 PolarHBondContact O-N 2.82Å; H794-Y797 PolarHBondContact O-N 2.93Å; Y797-R799 VanDerWaalsContact C-N 3.29Å; Y797-R799 PolarHBondContact O-N 3.35Å; Y797-D800 PolarHBondContact O-N 3.47Å; Y797-K801 HydrophobicContact CE1-CD 4.11Å; Y797-K801 VanDerWaalsContact O-CB 3.3Å; Y797-K801 WeakPolarHBondContact O-CB 3.31Å; Y797-K801 PolarHBondContact O-N 2.98Å |
| 798 | K | 78.8 | Confident | 83.7 | Confident | 119 Ų | 119 | 81.7 Ų | 81.7 | 52% | 0.517 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.2 | -41.7 | 177.4 | -74.1 | 174.1 | -176.7 | 169.7 | 0 | 112.1 | H794 T795 K796 F802 | H794-K798 WeakPolarHBondContact O-CG 3.03Å; H794-K798 PolarHBondContact O-N 3.01Å; T795-K798 PolarHBondContact O-N 3.23Å; K796-K798 PolarHBondContact O-N 3.19Å; K798-F802 WeakPolarHBondContact O-CB 3.45Å; K798-F802 PolarHBondContact O-N 2.95Å |
| 799 | R | 78.8 | Confident | 83.4 | Confident | 152 Ų | 152 | 78.4 Ų | 78.4 | 57% | 0.574 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.5 | -44.9 | 177.6 | -174.5 | -175.2 | -66.2 | 171.3 | -0.9 | 111.8 | T795 K796 Y797 F802 K803 | T795-R799 WeakPolarHBondContact O-CB 3.49Å; T795-R799 PolarHBondContact O-N 3.19Å; K796-R799 WeakPolarHBondContact O-CB 3.47Å; K796-R799 PolarHBondContact O-N 3.03Å; Y797-R799 VanDerWaalsContact C-N 3.29Å; Y797-R799 PolarHBondContact O-N 3.35Å; R799-F802 PolarHBondContact O-N 2.87Å; R799-K803 WeakPolarHBondContact O-CG 3.48Å; R799-K803 PolarHBondContact O-N 2.74Å |
| 800 | D | 81.4 | Confident | 82.9 | Confident | 60 Ų | 60 | 79.6 Ų | 79.6 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.9 | -41.6 | -179.5 | -69.1 | -15.6 | 0 | 0 | 0 | 110.9 | K796 Y797 F802 K803 K804 | K796-D800 WeakPolarHBondContact O-CB 3.3Å; K796-D800 PolarHBondContact O-N 3.04Å; Y797-D800 PolarHBondContact O-N 3.47Å; D800-F802 PolarHBondContact O-N 2.74Å; D800-K803 PolarHBondContact O-N 2.88Å; D800-K804 WeakPolarHBondContact O-CG 3.48Å; D800-K804 PolarHBondContact O-N 2.88Å |
| 801 | K | 76.5 | Confident | 82.4 | Confident | 58 Ų | 58 | 87.2 Ų | 87.2 | 25% | 0.252 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56.9 | -50.3 | 172.3 | -176.9 | 174.5 | 179.6 | 176 | 0 | 110.9 | E5 Y797 K803 K804 T805 | E5-K801 IonicContact OE1-NZ 3.46Å; E5-K801 IonicContact OE2-NZ 3.36Å; E5-K801 PolarHBondContact OE2-NZ 3.42Å; Y797-K801 HydrophobicContact CE1-CD 4.11Å; Y797-K801 VanDerWaalsContact O-CB 3.3Å; Y797-K801 WeakPolarHBondContact O-CB 3.31Å; Y797-K801 PolarHBondContact O-N 2.98Å; K801-K803 VanDerWaalsContact C-N 3.29Å; K801-K803 PolarHBondContact O-N 2.92Å; K801-K804 PolarHBondContact O-N 2.89Å; K801-K804 VanDerWaalsContact O-N 3.13Å; K801-T805 PolarHBondContact O-N 2.98Å; K801-T805 PolarHBondContact O-OG1 3.08Å |
| 802 | F | 73.3 | Confident | 81.9 | Confident | 150 Ų | 150 | 87.2 Ų | 87.2 | 66% | 0.658 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -58.4 | -39.8 | 178.4 | -177.4 | -96.3 | 0 | 0 | 0 | 112.7 | K798 R799 D800 T805 | K798-F802 WeakPolarHBondContact O-CB 3.45Å; K798-F802 PolarHBondContact O-N 2.95Å; R799-F802 PolarHBondContact O-N 2.87Å; D800-F802 PolarHBondContact O-N 2.74Å; F802-T805 PolarHBondContact O-N 2.94Å |
| 803 | K | 74.8 | Confident | 81.7 | Confident | 157 Ų | 157 | 81.1 Ų | 81.1 | 68% | 0.683 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.6 | -35.3 | 176.8 | -74.8 | 178 | 176.7 | -176 | 0 | 113.3 | R799 D800 K801 | R799-K803 WeakPolarHBondContact O-CG 3.48Å; R799-K803 PolarHBondContact O-N 2.74Å; D800-K803 PolarHBondContact O-N 2.88Å; K801-K803 VanDerWaalsContact C-N 3.29Å; K801-K803 PolarHBondContact O-N 2.92Å |
| 804 | K | 78.3 | Confident | 81.6 | Confident | 132 Ų | 132 | 78.6 Ų | 78.6 | 57% | 0.574 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -80.5 | -19.7 | 178.6 | -67.3 | 179.5 | -170.6 | 177.5 | 0 | 113.1 | E6 D800 K801 K806 | E6-K804 IonicContact OE1-NZ 3.78Å; E6-K804 IonicContact OE2-NZ 2.85Å; E6-K804 PolarHBondContact OE2-NZ 2.93Å; D800-K804 WeakPolarHBondContact O-CG 3.48Å; D800-K804 PolarHBondContact O-N 2.88Å; K801-K804 PolarHBondContact O-N 2.89Å; K801-K804 VanDerWaalsContact O-N 3.13Å; K804-K806 PolarHBondContact O-N 2.71Å |
| 805 | T | 77.3 | Confident | 81.2 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | trans | -60.3 | 108.2 | -178.1 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | K801 F802 I807 H812 | K801-T805 PolarHBondContact O-N 2.98Å; K801-T805 PolarHBondContact O-OG1 3.08Å; F802-T805 PolarHBondContact O-N 2.94Å; T805-I807 PolarHBondContact O-N 3.36Å; T805-H812 HydrophobicContact CG2-CB 3.98Å; T805-H812 VanDerWaalsContact CG2-CD2 3.41Å; T805-H812 WeakPolarHBondContact CG2-CD2 3.41Å; T805-H812 VanDerWaalsContact CG2-CG 3.47Å | ||
| 806 | K | 81 | Confident | 79.9 | Confident | 160 Ų | 160 | 79.4 Ų | 79.4 | 70% | 0.696 | 36% | 0.364 | S | S | * | . | trans | -82.5 | 101 | 172.2 | -171.9 | 177.9 | -179.6 | -177 | 0 | 110 | K804 S809 | K804-K806 PolarHBondContact O-N 2.71Å; K806-S809 WeakPolarHBondContact O-CB 3.49Å; K806-S809 PolarHBondContact O-N 3.44Å; K806-S809 VanDerWaalsContact O-N 3.15Å; K806-S809 PolarHBondContact O-OG 3.38Å | ||
| 807 | I | 81.5 | Confident | 78.5 | Confident | 31 Ų | 31 | 78.3 Ų | 78.3 | 16% | 0.159 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 135 | 174.4 | -55.6 | -175.9 | 0 | 0 | 0 | 109.4 | T805 S809 I814 C821 Y822 | T805-I807 PolarHBondContact O-N 3.36Å; I807-S809 VanDerWaalsContact C-N 3.35Å; I807-I814 HydrophobicContact CG2-CG1 3.96Å; I807-C821 HydrophobicContact CD1-CB 4.31Å; I807-Y822 HydrophobicContact CB-CD2 4.17Å; I807-Y822 HydrophobicContact CG2-CD2 3.8Å; I807-Y822 HydrophobicContact CG2-CG 4.29Å |
| 808 | G | 82.7 | Confident | 77.2 | Confident | 6 Ų | 6 | 78.5 Ų | 78.5 | 6% | 0.062 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 0.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A261 W262 H812 | A261-G808 WeakPolarHBondContact CA-O 3.33Å; W262-G808 PolarHBondContact N-O 3.18Å; G808-H812 PolarHBondContact N-O 3.42Å |
| 809 | S | 86.8 | Confident | 76.1 | Confident | 29 Ų | 29 | 75 Ų | 75 | 20% | 0.203 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -71.7 | 165.2 | 167.1 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | K806 I807 E811 H812 P813 | K806-S809 WeakPolarHBondContact O-CB 3.49Å; K806-S809 PolarHBondContact O-N 3.44Å; K806-S809 VanDerWaalsContact O-N 3.15Å; K806-S809 PolarHBondContact O-OG 3.38Å; I807-S809 VanDerWaalsContact C-N 3.35Å; S809-E811 PolarHBondContact O-N 2.91Å; S809-H812 CarbonylContact O-C 3.3Å; S809-H812 PolarHBondContact O-N 3.34Å; S809-H812 VanDerWaalsContact O-N 3.16Å; S809-H812 PolarHBondContact OG-N 2.96Å; S809-P813 VanDerWaalsContact O-N 3.15Å |
| 810 | Q | 84.1 | Confident | 75.2 | Confident | 89 Ų | 89 | 74.6 Ų | 74.6 | 42% | 0.416 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -57.4 | -35.1 | 175.6 | -174.5 | -175.9 | -3.4 | 0 | 0 | 112.5 | K127 Q156 W262 | K127-Q810 VanDerWaalsContact NZ-CG 3.28Å; K127-Q810 PolarHBondContact NZ-O 2.71Å; Q156-Q810 VanDerWaalsContact CD-NE2 3.29Å; W262-Q810 VanDerWaalsContact CD1-N 3.29Å; W262-Q810 HydrophobicContact CD2-CB 4.18Å; W262-Q810 HydrophobicContact CD2-CG 4.24Å; W262-Q810 HydrophobicContact CG-CB 4.21Å; W262-Q810 HydrophobicContact CH2-CG 4.41Å; W262-Q810 HydrophobicContact CZ2-CB 4.29Å; W262-Q810 HydrophobicContact CZ2-CG 3.93Å |
| 811 | E | 80.1 | Confident | 74 | Confident | 163 Ų | 163 | 74.9 Ų | 74.9 | 76% | 0.762 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -77.4 | -33.5 | 178.6 | -65.7 | 178 | 178.3 | 0 | 0 | 112.5 | S809 P813 | S809-E811 PolarHBondContact O-N 2.91Å; E811-P813 VanDerWaalsContact C-CD 3.43Å; E811-P813 WeakPolarHBondContact O-CD 3.38Å |
| 812 | H | 81.6 | Confident | 73.3 | Confident | 68 Ų | 68 | 73.4 Ų | 73.4 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -125 | 68.2 | -179.4 | -57.7 | 85 | 0 | 0 | 0 | 112.1 | T805 G808 S809 | T805-H812 HydrophobicContact CG2-CB 3.98Å; T805-H812 VanDerWaalsContact CG2-CD2 3.41Å; T805-H812 WeakPolarHBondContact CG2-CD2 3.41Å; T805-H812 VanDerWaalsContact CG2-CG 3.47Å; G808-H812 PolarHBondContact N-O 3.42Å; S809-H812 CarbonylContact O-C 3.3Å; S809-H812 PolarHBondContact O-N 3.34Å; S809-H812 VanDerWaalsContact O-N 3.16Å; S809-H812 PolarHBondContact OG-N 2.96Å |
| 813 | P | 86.3 | Confident | 72.7 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.032 | 33% | 0.333 | C | S | . | . | trans | -63 | 153.5 | 179.4 | -20.9 | 33 | 0 | 0 | 0 | 113.1 | K127 W262 F264 S809 E811 S818 | K127-P813 HydrophobicContact CB-CG 4.33Å; K127-P813 HydrophobicContact CD-CG 3.75Å; W262-P813 HydrophobicContact CB-CB 3.96Å; W262-P813 HydrophobicContact CB-CG 4.15Å; W262-P813 CarbonylContact O-C 3.59Å; W262-P813 WeakPolarHBondContact O-CA 3.32Å; F264-P813 HydrophobicContact CD1-CB 4.34Å; F264-P813 HydrophobicContact CD1-CG 4.39Å; F264-P813 HydrophobicContact CD2-CB 3.87Å; F264-P813 HydrophobicContact CD2-CG 4.43Å; F264-P813 HydrophobicContact CE1-CB 4.35Å; F264-P813 HydrophobicContact CE1-CG 3.99Å; F264-P813 HydrophobicContact CE2-CB 3.89Å; F264-P813 HydrophobicContact CE2-CG 4.03Å; F264-P813 HydrophobicContact CG-CB 4.1Å; F264-P813 HydrophobicContact CZ-CB 4.14Å; F264-P813 HydrophobicContact CZ-CG 3.79Å; S809-P813 VanDerWaalsContact O-N 3.15Å; E811-P813 VanDerWaalsContact C-CD 3.43Å; E811-P813 WeakPolarHBondContact O-CD 3.38Å; P813-S818 PolarHBondContact O-OG 2.99Å | ||
| 814 | I | 87.6 | Confident | 72 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 132.5 | 174.7 | -67.9 | 169.7 | 0 | 0 | 0 | 110.1 | A261 W262 Y263 F264 I807 F819 Y822 | A261-I814 HydrophobicContact CB-CD1 3.72Å; W262-I814 PolarHBondContact O-N 2.82Å; Y263-I814 CarbonylContact C-O 3.58Å; Y263-I814 WeakPolarHBondContact CA-O 3.23Å; Y263-I814 HydrophobicContact CD1-CB 3.61Å; Y263-I814 HydrophobicContact CD1-CG2 3.58Å; Y263-I814 HydrophobicContact CE1-CB 3.72Å; Y263-I814 HydrophobicContact CE1-CD1 3.97Å; Y263-I814 HydrophobicContact CE1-CG1 4.45Å; Y263-I814 HydrophobicContact CE1-CG2 3.44Å; Y263-I814 VanDerWaalsContact CE1-CG2 3.44Å; Y263-I814 HydrophobicContact CG-CB 4.32Å; F264-I814 PolarHBondContact N-O 3.33Å; I807-I814 HydrophobicContact CG2-CG1 3.96Å; I814-F819 HydrophobicContact CG2-CB 3.86Å; I814-F819 HydrophobicContact CG2-CD2 3.26Å; I814-F819 HydrophobicContact CG2-CE2 4.14Å; I814-F819 HydrophobicContact CG2-CG 3.96Å; I814-Y822 HydrophobicContact CD1-CD1 3.99Å; I814-Y822 HydrophobicContact CD1-CD2 3.98Å; I814-Y822 HydrophobicContact CD1-CE1 4.07Å; I814-Y822 HydrophobicContact CD1-CE2 4.06Å; I814-Y822 HydrophobicContact CD1-CG 3.94Å; I814-Y822 HydrophobicContact CG1-CD2 4.43Å; I814-Y822 HydrophobicContact CG1-CG 4.36Å |
| 815 | G | 78.2 | Confident | 71.1 | Confident | 9 Ų | 9 | 66 Ų | 66 | 9% | 0.093 | 32% | 0.32 | C | S | . | . | trans | 179.4 | -161.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | K817 S818 F819 | G815-K817 CarbonylContact O-C 3.53Å; G815-K817 PolarHBondContact O-N 3.16Å; G815-S818 PolarHBondContact N-OG 2.94Å; G815-S818 PolarHBondContact O-N 3.2Å; G815-S818 PolarHBondContact O-OG 3.31Å; G815-S818 VanDerWaalsContact O-OG 3.14Å; G815-F819 PolarHBondContact O-N 3.28Å; G815-F819 VanDerWaalsContact O-N 3.16Å | ||
| 816 | D | 58.2 | Low | 70.1 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 40% | 0.396 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -16.3 | -36.6 | -167.9 | -73 | -25.6 | 0 | 0 | 0 | 120 | R74 K99 L266 | R74-D816 IonicContact CZ-OD2 3.31Å; R74-D816 IonicContact NH2-OD1 3Å; R74-D816 IonicContact NH2-OD2 3.19Å; R74-D816 PolarHBondContact NH2-OD2 3.36Å; K99-D816 IonicContact NZ-OD2 3.99Å; K99-D816 PolarHBondContact NZ-OD2 3.01Å; L266-D816 WeakPolarHBondContact CD2-OD1 3.48Å |
| 817 | K | 58.2 | Low | 68.8 | Low | 114 Ų | 114 | 62.9 Ų | 62.9 | 50% | 0.496 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | -18.1 | 173.5 | -65.1 | 175.2 | -174.4 | 146.4 | 0 | 113.9 | E101 G815 F819 | E101-K817 IonicContact OE1-NZ 2.62Å; E101-K817 PolarHBondContact OE1-NZ 3.12Å; G815-K817 CarbonylContact O-C 3.53Å; G815-K817 PolarHBondContact O-N 3.16Å; K817-F819 VanDerWaalsContact C-N 3.33Å; K817-F819 PolarHBondContact O-N 3.22Å |
| 818 | S | 56.2 | Low | 67.2 | Low | 36 Ų | 36 | 67.4 Ų | 67.4 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -74.8 | -20.9 | -178.7 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | P813 G815 Q820 C821 Y822 | P813-S818 PolarHBondContact O-OG 2.99Å; G815-S818 PolarHBondContact N-OG 2.94Å; G815-S818 PolarHBondContact O-N 3.2Å; G815-S818 PolarHBondContact O-OG 3.31Å; G815-S818 VanDerWaalsContact O-OG 3.14Å; S818-Q820 VanDerWaalsContact C-N 3.35Å; S818-Q820 PolarHBondContact O-N 3.07Å; S818-C821 PolarHBondContact O-N 2.88Å; S818-Y822 WeakPolarHBondContact O-CB 3.36Å; S818-Y822 PolarHBondContact O-N 3.42Å |
| 819 | F | 56.2 | Low | 65.2 | Low | 46 Ų | 46 | 73.5 Ų | 73.5 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 177.8 | -170.7 | -122.2 | 0 | 0 | 0 | 113 | P249 V252 I814 G815 K817 Y822 I823 | P249-F819 HydrophobicContact CG-CE1 3.9Å; P249-F819 HydrophobicContact CG-CZ 3.82Å; V252-F819 HydrophobicContact CG1-CE2 3.84Å; V252-F819 HydrophobicContact CG1-CZ 4Å; I814-F819 HydrophobicContact CG2-CB 3.86Å; I814-F819 HydrophobicContact CG2-CD2 3.26Å; I814-F819 HydrophobicContact CG2-CE2 4.14Å; I814-F819 HydrophobicContact CG2-CG 3.96Å; G815-F819 PolarHBondContact O-N 3.28Å; G815-F819 VanDerWaalsContact O-N 3.16Å; K817-F819 VanDerWaalsContact C-N 3.33Å; K817-F819 PolarHBondContact O-N 3.22Å; F819-Y822 HydrophobicContact CE2-CD1 4.5Å; F819-Y822 PolarHBondContact O-N 3.05Å; F819-I823 HydrophobicContact CE1-CG1 4.41Å; F819-I823 HydrophobicContact CE2-CD1 4.3Å; F819-I823 HydrophobicContact CE2-CG1 4.37Å; F819-I823 HydrophobicContact CZ-CD1 4.14Å; F819-I823 HydrophobicContact CZ-CG1 4.23Å; F819-I823 WeakPolarHBondContact O-CG1 3.28Å; F819-I823 PolarHBondContact O-N 3.44Å; F819-I823 VanDerWaalsContact O-N 3.09Å |
| 820 | Q | 58.4 | Low | 62.8 | Low | 143 Ų | 143 | 76.5 Ų | 76.5 | 67% | 0.668 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.1 | -38.6 | 175.8 | -69 | -177.3 | -4.4 | 0 | 0 | 111.8 | S818 R824 | S818-Q820 VanDerWaalsContact C-N 3.35Å; S818-Q820 PolarHBondContact O-N 3.07Å; Q820-R824 WeakPolarHBondContact O-CG 3.36Å; Q820-R824 PolarHBondContact O-N 3.43Å |
| 821 | C | 57.2 | Low | 60.5 | Low | 65 Ų | 65 | 77.4 Ų | 77.4 | 44% | 0.439 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 173.4 | -67.2 | 0 | 0 | 0 | 0 | 112.1 | I807 S818 R824 Q825 | I807-C821 HydrophobicContact CD1-CB 4.31Å; S818-C821 PolarHBondContact O-N 2.88Å; C821-R824 PolarHBondContact O-N 3.35Å; C821-Q825 WeakPolarHBondContact O-CG 3.49Å; C821-Q825 PolarHBondContact O-N 3.17Å |
| 822 | Y | 61.8 | Low | 58.2 | Low | 27 Ų | 27 | 79.7 Ų | 79.7 | 11% | 0.106 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59 | -48.5 | 175.5 | -179.5 | -104.6 | 0 | 0 | 0 | 111.9 | V252 H259 I807 I814 S818 F819 R824 Q825 Q826 | V252-Y822 HydrophobicContact CB-CE1 4.32Å; V252-Y822 HydrophobicContact CG1-CE1 4.22Å; H259-Y822 AromaticContact CE1-CE1 3.88Å; H259-Y822 AromaticContact CE1-CZ 3.64Å; H259-Y822 PolarHBondContact CE1-OH 3.33Å; H259-Y822 AromaticContact ND1-CZ 3.93Å; H259-Y822 PolarHBondContact ND1-OH 3.12Å; I807-Y822 HydrophobicContact CB-CD2 4.17Å; I807-Y822 HydrophobicContact CG2-CD2 3.8Å; I807-Y822 HydrophobicContact CG2-CG 4.29Å; I814-Y822 HydrophobicContact CD1-CD1 3.99Å; I814-Y822 HydrophobicContact CD1-CD2 3.98Å; I814-Y822 HydrophobicContact CD1-CE1 4.07Å; I814-Y822 HydrophobicContact CD1-CE2 4.06Å; I814-Y822 HydrophobicContact CD1-CG 3.94Å; I814-Y822 HydrophobicContact CG1-CD2 4.43Å; I814-Y822 HydrophobicContact CG1-CG 4.36Å; S818-Y822 WeakPolarHBondContact O-CB 3.36Å; S818-Y822 PolarHBondContact O-N 3.42Å; F819-Y822 HydrophobicContact CE2-CD1 4.5Å; F819-Y822 PolarHBondContact O-N 3.05Å; Y822-R824 PolarHBondContact O-N 3.08Å; Y822-Q825 PolarHBondContact O-N 3.03Å; Y822-Q826 HydrophobicContact CE1-CG 4.42Å; Y822-Q826 PolarHBondContact O-N 3.16Å; Y822-Q826 PolarHBondContact OH-NE2 3.39Å |
| 823 | I | 60.9 | Low | 55.9 | Low | 43 Ų | 43 | 81.5 Ų | 81.5 | 22% | 0.221 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 176.9 | -63.6 | -66.3 | 0 | 0 | 0 | 111 | R251 V252 F819 Q825 Q826 S827 | R251-I823 HydrophobicContact CG-CD1 4.33Å; V252-I823 HydrophobicContact CG1-CD1 3.94Å; F819-I823 HydrophobicContact CE1-CG1 4.41Å; F819-I823 HydrophobicContact CE2-CD1 4.3Å; F819-I823 HydrophobicContact CE2-CG1 4.37Å; F819-I823 HydrophobicContact CZ-CD1 4.14Å; F819-I823 HydrophobicContact CZ-CG1 4.23Å; F819-I823 WeakPolarHBondContact O-CG1 3.28Å; F819-I823 PolarHBondContact O-N 3.44Å; F819-I823 VanDerWaalsContact O-N 3.09Å; I823-Q825 PolarHBondContact O-N 3.45Å; I823-Q826 PolarHBondContact O-N 3.39Å; I823-S827 PolarHBondContact O-N 3.03Å; I823-S827 PolarHBondContact O-OG 3.11Å |
| 824 | R | 60 | Low | 53.2 | Low | 165 Ų | 165 | 93 Ų | 93 | 62% | 0.623 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.9 | -46.1 | 175.3 | -79.5 | -176.1 | -177.3 | 177.4 | 1.1 | 112.4 | Q820 C821 Y822 Q826 S827 E828 | Q820-R824 WeakPolarHBondContact O-CG 3.36Å; Q820-R824 PolarHBondContact O-N 3.43Å; C821-R824 PolarHBondContact O-N 3.35Å; Y822-R824 PolarHBondContact O-N 3.08Å; R824-Q826 VanDerWaalsContact C-N 3.33Å; R824-Q826 PolarHBondContact O-N 2.63Å; R824-S827 WeakPolarHBondContact CA-OG 3.41Å; R824-S827 PolarHBondContact O-N 3.08Å; R824-S827 PolarHBondContact O-OG 2.94Å; R824-E828 WeakPolarHBondContact O-CG 3.29Å; R824-E828 PolarHBondContact O-N 3.31Å |
| 825 | Q | 58.8 | Low | 51.4 | Low | 77 Ų | 77 | 97.5 Ų | 97.5 | 36% | 0.36 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 177.9 | -76.8 | -178.5 | -13.4 | 0 | 0 | 112.6 | C821 Y822 I823 N829 | C821-Q825 WeakPolarHBondContact O-CG 3.49Å; C821-Q825 PolarHBondContact O-N 3.17Å; Y822-Q825 PolarHBondContact O-N 3.03Å; I823-Q825 PolarHBondContact O-N 3.45Å; Q825-N829 PolarHBondContact O-N 2.95Å |
| 826 | Q | 57.3 | Low | 50 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 31% | 0.313 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -37.9 | 173.8 | -75.6 | -151.4 | -14.9 | 0 | 0 | 112.6 | V252 Y822 I823 R824 T830 | V252-Q826 PolarHBondContact O-OE1 3.05Å; Y822-Q826 HydrophobicContact CE1-CG 4.42Å; Y822-Q826 PolarHBondContact O-N 3.16Å; Y822-Q826 PolarHBondContact OH-NE2 3.39Å; I823-Q826 PolarHBondContact O-N 3.39Å; R824-Q826 VanDerWaalsContact C-N 3.33Å; R824-Q826 PolarHBondContact O-N 2.63Å; Q826-T830 PolarHBondContact O-OG1 2.96Å |
| 827 | S | 52.5 | Low | 49.6 | Very low | 62 Ų | 62 | 103.7 Ų | 103.7 | 43% | 0.434 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.2 | -29.5 | 177.4 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | I823 R824 T830 T831 | I823-S827 PolarHBondContact O-N 3.03Å; I823-S827 PolarHBondContact O-OG 3.11Å; R824-S827 WeakPolarHBondContact CA-OG 3.41Å; R824-S827 PolarHBondContact O-N 3.08Å; R824-S827 PolarHBondContact O-OG 2.94Å; S827-T830 PolarHBondContact O-OG1 3.27Å; S827-T831 PolarHBondContact O-OG1 3.24Å |
| 828 | E | 47.3 | Very low | 49.1 | Very low | 126 Ų | 126 | 103.1 Ų | 103.1 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -79.1 | -28.3 | 178.3 | -74.1 | 173.7 | -177.6 | 0 | 0 | 112.4 | R824 T830 T831 | R824-E828 WeakPolarHBondContact O-CG 3.29Å; R824-E828 PolarHBondContact O-N 3.31Å; E828-T830 VanDerWaalsContact C-N 3.27Å; E828-T830 PolarHBondContact O-N 2.76Å; E828-T831 PolarHBondContact O-N 3.14Å |
| 829 | N | 41.6 | Very low | 48.6 | Very low | 133 Ų | 133 | 107.3 Ų | 107.3 | 71% | 0.711 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73.5 | -15.4 | 174.8 | -80 | -17.1 | 0 | 0 | 0 | 113.8 | Q825 | Q825-N829 PolarHBondContact O-N 2.95Å |
| 830 | T | 36 | Very low | 48.1 | Very low | 93 Ų | 93 | 111.4 Ų | 111.4 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -6.9 | 175.4 | 39.2 | 0 | 0 | 0 | 0 | 114.3 | Q826 S827 E828 | Q826-T830 PolarHBondContact O-OG1 2.96Å; S827-T830 PolarHBondContact O-OG1 3.27Å; E828-T830 VanDerWaalsContact C-N 3.27Å; E828-T830 PolarHBondContact O-N 2.76Å |
| 831 | T | 35.5 | Very low | 47.4 | Very low | 107 Ų | 107 | 109.1 Ų | 109.1 | 66% | 0.656 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -101 | 1.5 | -174.9 | -26.2 | 0 | 0 | 0 | 0 | 113.9 | S827 E828 | S827-T831 PolarHBondContact O-OG1 3.24Å; E828-T831 PolarHBondContact O-N 3.14Å |
| 832 | Y | 32.8 | Very low | 46.6 | Very low | 211 Ų | 211 | 112.5 Ų | 112.5 | 83% | 0.827 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -123.3 | 59.7 | 172.3 | -71.8 | -77.8 | 0 | 0 | 0 | 111.1 | ||
| 833 | S | 32.8 | Very low | 45.4 | Very low | 107 Ų | 107 | 119.7 Ų | 119.7 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | trans | -158.6 | 66.6 | 159.8 | -77.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 834 | I | 29.2 | Very low | 44 | Very low | 245 Ų | 245 | 126.6 Ų | 126.6 | 100% | 1.256 | 64% | 0.644 | S | S | * | * | trans | -144.5 | 0 | 140.3 | -59.1 | -171.5 | 0 | 0 | 0 | 107 |
Retrieved 834 of 834 residues in 1022.8 ms
(Link to these results)