| 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 | 59.5 | Low | 88.7 | Confident | 246 Ų | 246 | 75.6 Ų | 75.6 | 100% | 1.212 | 40% | 0.402 | S | S | * | . | 0 | 131.1 | 0 | -70.1 | -177.4 | -171.4 | 0 | 0 | 107.4 | |||||
| 2 | T | 82.5 | Confident | 88.8 | Confident | 119 Ų | 119 | 73.3 Ų | 73.3 | 73% | 0.73 | 39% | 0.387 | S | S | * | . | trans | -71.5 | 136 | 178.1 | 16.2 | 0 | 0 | 0 | 0 | 110.4 | Q4 | T2-Q4 PolarHBondContact O-N 3.19Š| ||
| 3 | C | 93.6 | Very high | 89 | Confident | 23 Ų | 23 | 67.7 Ų | 67.7 | 16% | 0.155 | 36% | 0.357 | C | S | . | . | trans | -63.1 | 120.5 | 175.4 | -168.3 | 0 | 0 | 0 | 0 | 109.2 | C34 V35 E36 | C3-C34 HydrophobicContact CB-CB 3.76Å; C3-C34 WeakPolarHBondContact CB-O 3.25Å; C3-C34 WeakPolarHBondContact CB-SG 3.32Å; C3-C34 WeakPolarHBondContact SG-CB 3.46Å; C3-C34 CovalentContact SG-SG 2.03Å; C3-C34 PolarHBondContact SG-SG 3.32Å; C3-V35 WeakPolarHBondContact CB-O 3.35Å; C3-E36 VanDerWaalsContact SG-CA 3.56Å; C3-E36 PolarHBondContact SG-N 2.82Å; C3-E36 PolarHBondContact SG-O 2.93Å; C3-E36 VanDerWaalsContact SG-O 3.41Å | ||
| 4 | Q | 94.4 | Very high | 88.8 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | trans | -138.8 | 144.9 | -179 | -68.3 | -175 | -9.7 | 0 | 0 | 112.6 | T2 A25 | T2-Q4 PolarHBondContact O-N 3.19Å; Q4-A25 CarbonylContact C-O 3.59Å; Q4-A25 WeakPolarHBondContact CA-O 3.45Å | ||
| 5 | F | 95.2 | Very high | 88.7 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.022 | 32% | 0.319 | C | S | . | . | trans | -79.5 | 144.6 | 168.6 | -59.4 | -71.1 | 0 | 0 | 0 | 111.1 | A7 W9 H10 I23 N24 A25 H27 F28 C34 F42 L44 | F5-A7 PolarHBondContact O-N 3.2Å; F5-W9 HydrophobicContact CD1-CE3 4.43Å; F5-W9 HydrophobicContact CD1-CZ3 4.39Å; F5-H10 PolarHBondContact O-NE2 2.84Å; F5-H10 VanDerWaalsContact O-NE2 3.11Å; F5-I23 HydrophobicContact CB-CG2 4.22Å; F5-I23 HydrophobicContact CD2-CG2 4.45Å; F5-I23 HydrophobicContact CG-CG2 4.32Å; F5-N24 WeakPolarHBondContact CD2-O 3.38Å; F5-A25 PolarHBondContact N-O 3.23Å; F5-H27 VanDerWaalsContact CE2-C 3.46Å; F5-F28 AromaticContact CD1-CD2 3.97Å; F5-F28 HydrophobicContact CD1-CD2 3.97Å; F5-F28 HydrophobicContact CE1-CB 4.22Å; F5-F28 AromaticContact CE1-CD2 3.69Å; F5-F28 HydrophobicContact CE1-CD2 3.69Å; F5-F28 HydrophobicContact CE1-CG 4.43Å; F5-F28 HydrophobicContact CE2-CB 3.95Å; F5-F28 HydrophobicContact CZ-CB 3.66Å; F5-F28 HydrophobicContact CZ-CD2 4.01Å; F5-F28 HydrophobicContact CZ-CG 4.34Å; F5-C34 HydrophobicContact CD2-CB 4.47Å; F5-C34 HydrophobicContact CE2-CB 3.79Å; F5-C34 HydrophobicContact CZ-CB 3.88Å; F5-F42 AromaticContact CD1-CD1 3.67Å; F5-F42 HydrophobicContact CD1-CD1 3.67Å; F5-F42 AromaticContact CD1-CE1 3.52Å; F5-F42 HydrophobicContact CD1-CE1 3.52Å; F5-F42 HydrophobicContact CD1-CG 4.4Å; F5-F42 HydrophobicContact CD1-CZ 4.19Å; F5-F42 HydrophobicContact CE1-CB 4.26Å; F5-F42 AromaticContact CE1-CD1 3.43Å; F5-F42 HydrophobicContact CE1-CD1 3.43Å; F5-F42 VanDerWaalsContact CE1-CD1 3.43Å; F5-F42 AromaticContact CE1-CE1 3.82Å; F5-F42 HydrophobicContact CE1-CE1 3.82Å; F5-F42 AromaticContact CE1-CG 3.88Å; F5-F42 HydrophobicContact CE1-CG 3.88Å; F5-F42 HydrophobicContact CZ-CD1 4.45Å; F5-L44 HydrophobicContact CE1-CD2 4.16Å; F5-L44 HydrophobicContact CZ-CD2 3.52Å | ||
| 6 | P | 93.9 | Very high | 88.4 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | trans | -51 | 134.3 | 176.5 | -26.9 | 34.4 | 0 | 0 | 0 | 112.8 | R8 W9 H10 | P6-R8 HydrophobicContact CB-CG 4.05Å; P6-R8 PolarHBondContact O-N 3.44Å; P6-R8 VanDerWaalsContact O-N 3.15Å; P6-W9 HydrophobicContact CB-CD2 4.14Å; P6-W9 HydrophobicContact CB-CG 4.21Å; P6-W9 HydrophobicContact CG-CD2 3.88Å; P6-W9 HydrophobicContact CG-CE3 4.02Å; P6-W9 HydrophobicContact CG-CG 4.47Å; P6-W9 HydrophobicContact CG-CH2 4.08Å; P6-W9 HydrophobicContact CG-CZ2 3.98Å; P6-W9 HydrophobicContact CG-CZ3 4.11Å; P6-W9 WeakPolarHBondContact O-CB 3.47Å; P6-W9 PolarHBondContact O-N 3.02Å; P6-H10 PolarHBondContact O-CD2 2.03Å; P6-H10 PolarHBondContact O-NE2 2.92Å | ||
| 7 | A | 91.8 | Very high | 87.6 | Confident | 74 Ų | 74 | 62.9 Ų | 62.9 | 61% | 0.612 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -53.4 | -37.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F5 W9 H10 | F5-A7 PolarHBondContact O-N 3.2Å; A7-W9 PolarHBondContact O-N 3.21Å; A7-W9 VanDerWaalsContact O-N 3.17Å; A7-H10 VanDerWaalsContact O-CB 3.23Å; A7-H10 WeakPolarHBondContact O-CB 3.05Å; A7-H10 VanDerWaalsContact O-CG 3.24Å; A7-H10 PolarHBondContact O-N 3.4Å |
| 8 | R | 90.9 | Very high | 87.1 | Confident | 151 Ų | 151 | 65.1 Ų | 65.1 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -64.4 | -17.4 | 176.8 | 66.3 | -178.4 | -178.5 | -98.8 | -2.4 | 114 | P6 E61 R98 | P6-R8 HydrophobicContact CB-CG 4.05Å; P6-R8 PolarHBondContact O-N 3.44Å; P6-R8 VanDerWaalsContact O-N 3.15Å; R8-E61 VanDerWaalsContact CD-OE1 3.28Å; R8-E61 WeakPolarHBondContact CD-OE1 3.2Å; R8-E61 IonicContact CZ-OE1 2.95Å; R8-E61 IonicContact CZ-OE2 3.81Å; R8-E61 IonicContact NE-OE1 2.7Å; R8-E61 PolarHBondContact NE-OE1 2.92Å; R8-E61 IonicContact NE-OE2 2.82Å; R8-E61 PolarHBondContact NE-OE2 3.45Å; R8-E61 IonicContact NH2-OE2 3.15Å; R8-E61 PolarHBondContact NH2-OE2 2.91Å; R8-R98 PolarHBondContact O-NH2 2.91Å |
| 9 | W | 92.7 | Very high | 86.6 | Confident | 11 Ų | 11 | 67.1 Ų | 67.1 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -88.7 | -7.5 | 173.6 | -59.9 | -9.2 | 0 | 0 | 0 | 112.3 | F5 P6 A7 W13 I23 F28 F42 V59 E61 L67 | F5-W9 HydrophobicContact CD1-CE3 4.43Å; F5-W9 HydrophobicContact CD1-CZ3 4.39Å; P6-W9 HydrophobicContact CB-CD2 4.14Å; P6-W9 HydrophobicContact CB-CG 4.21Å; P6-W9 HydrophobicContact CG-CD2 3.88Å; P6-W9 HydrophobicContact CG-CE3 4.02Å; P6-W9 HydrophobicContact CG-CG 4.47Å; P6-W9 HydrophobicContact CG-CH2 4.08Å; P6-W9 HydrophobicContact CG-CZ2 3.98Å; P6-W9 HydrophobicContact CG-CZ3 4.11Å; P6-W9 WeakPolarHBondContact O-CB 3.47Å; P6-W9 PolarHBondContact O-N 3.02Å; A7-W9 PolarHBondContact O-N 3.21Å; A7-W9 VanDerWaalsContact O-N 3.17Å; W9-W13 PolarHBondContact O-NE1 3.07Å; W9-I23 HydrophobicContact CB-CG2 4.29Å; W9-F28 HydrophobicContact CE3-CE2 4.45Å; W9-F42 AromaticContact CH2-CE2 3.89Å; W9-F42 HydrophobicContact CH2-CE2 3.89Å; W9-F42 AromaticContact CH2-CZ 3.82Å; W9-F42 HydrophobicContact CH2-CZ 3.82Å; W9-F42 HydrophobicContact CZ3-CE1 4.44Å; W9-F42 AromaticContact CZ3-CE2 3.81Å; W9-F42 HydrophobicContact CZ3-CE2 3.81Å; W9-F42 AromaticContact CZ3-CZ 3.58Å; W9-F42 HydrophobicContact CZ3-CZ 3.58Å; W9-V59 HydrophobicContact CE3-CG1 4.44Å; W9-V59 HydrophobicContact CH2-CB 3.6Å; W9-V59 HydrophobicContact CH2-CG1 3.44Å; W9-V59 VanDerWaalsContact CH2-CG1 3.44Å; W9-V59 HydrophobicContact CH2-CG2 4.17Å; W9-V59 HydrophobicContact CZ2-CB 4.4Å; W9-V59 HydrophobicContact CZ2-CG1 3.84Å; W9-V59 HydrophobicContact CZ3-CB 3.93Å; W9-V59 HydrophobicContact CZ3-CG1 3.77Å; W9-V59 HydrophobicContact CZ3-CG2 3.98Å; W9-E61 HydrophobicContact CZ2-CB 4.33Å; W9-E61 VanDerWaalsContact NE1-CD 3.33Å; W9-E61 PolarHBondContact NE1-OE2 3.41Å; W9-L67 HydrophobicContact CD2-CD1 4.13Å; W9-L67 HydrophobicContact CD2-CD2 4.47Å; W9-L67 HydrophobicContact CG-CD1 4.1Å; W9-L67 HydrophobicContact CZ2-CD2 4.5Å |
| 10 | H | 92.2 | Very high | 86.5 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 27% | 0.269 | 36% | 0.355 | S | S | . | . | trans | -64.6 | 147.6 | -178.3 | -60 | 178.6 | 0 | 0 | 0 | 110.7 | F5 P6 A7 I23 A25 R98 | F5-H10 PolarHBondContact O-NE2 2.84Å; F5-H10 VanDerWaalsContact O-NE2 3.11Å; P6-H10 PolarHBondContact O-CD2 2.03Å; P6-H10 PolarHBondContact O-NE2 2.92Å; A7-H10 VanDerWaalsContact O-CB 3.23Å; A7-H10 WeakPolarHBondContact O-CB 3.05Å; A7-H10 VanDerWaalsContact O-CG 3.24Å; A7-H10 PolarHBondContact O-N 3.4Å; H10-I23 CarbonylContact C-O 3.59Å; H10-I23 VanDerWaalsContact CA-O 3.24Å; H10-I23 WeakPolarHBondContact CA-O 3.38Å; H10-A25 WeakPolarHBondContact NE2-CA 3.37Å; H10-A25 PolarHBondContact NE2-N 3.1Å; H10-R98 PolarHBondContact O-NH1 3.13Å | ||
| 11 | G | 89.6 | Confident | 86.6 | Confident | 15 Ų | 15 | 64 Ų | 64 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 114.4 | -167 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S22 I23 | G11-S22 CarbonylContact O-C 3.56Å; G11-S22 WeakPolarHBondContact O-CA 3.08Å; G11-I23 PolarHBondContact N-O 3.24Å; G11-I23 PolarHBondContact O-N 3.15Å |
| 12 | E | 89.4 | Confident | 88.1 | Confident | 48 Ų | 48 | 55.2 Ų | 55.2 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 149.9 | -175 | -69.2 | -171.5 | 151.1 | 0 | 0 | 112.7 | V20 F21 G99 Y101 | E12-V20 HydrophobicContact CB-CG1 3.72Å; E12-V20 HydrophobicContact CG-CG1 4.06Å; E12-F21 CarbonylContact C-O 3.49Å; E12-F21 WeakPolarHBondContact CA-O 3.26Å; E12-G99 WeakPolarHBondContact O-CA 3.18Å; E12-G99 PolarHBondContact O-N 2.79Å; E12-Y101 WeakPolarHBondContact OE2-CD2 3.46Å; E12-Y101 WeakPolarHBondContact OE2-CE2 3.37Å |
| 13 | W | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 148.5 | 179.6 | -65.8 | 83.4 | 0 | 0 | 0 | 111.1 | W9 F21 I23 L67 L96 F97 R98 | W9-W13 PolarHBondContact O-NE1 3.07Å; W13-F21 HydrophobicContact CB-CD2 4.5Å; W13-F21 HydrophobicContact CB-CE1 4.25Å; W13-F21 HydrophobicContact CB-CE2 4Å; W13-F21 HydrophobicContact CB-CZ 3.87Å; W13-F21 PolarHBondContact N-O 3.23Å; W13-F21 WeakPolarHBondContact O-CD1 3.02Å; W13-F21 PolarHBondContact O-N 3.27Å; W13-I23 HydrophobicContact CD2-CD1 4.29Å; W13-I23 HydrophobicContact CG-CD1 3.87Å; W13-I23 HydrophobicContact CG-CG1 4.31Å; W13-L67 HydrophobicContact CD2-CD1 4.36Å; W13-L67 HydrophobicContact CE3-CD1 4.3Å; W13-L67 HydrophobicContact CE3-CG 4.33Å; W13-L67 HydrophobicContact CH2-CD1 3.67Å; W13-L67 HydrophobicContact CH2-CD2 4.25Å; W13-L67 HydrophobicContact CH2-CG 3.47Å; W13-L67 VanDerWaalsContact CH2-CG 3.47Å; W13-L67 HydrophobicContact CZ2-CD1 3.68Å; W13-L67 HydrophobicContact CZ2-CG 4.02Å; W13-L67 HydrophobicContact CZ3-CB 4.25Å; W13-L67 HydrophobicContact CZ3-CD1 3.99Å; W13-L67 HydrophobicContact CZ3-CG 3.64Å; W13-L96 HydrophobicContact CE3-CB 3.76Å; W13-L96 HydrophobicContact CZ3-CB 4.42Å; W13-F97 CarbonylContact C-O 3.56Å; W13-F97 VanDerWaalsContact CA-O 3.32Å; W13-F97 WeakPolarHBondContact CA-O 3.45Å; W13-F97 VanDerWaalsContact CE3-C 3.46Å; W13-R98 HydrophobicContact CD2-CB 4.49Å; W13-R98 HydrophobicContact CE3-CB 4.13Å; W13-R98 HydrophobicContact CH2-CB 4.12Å; W13-R98 HydrophobicContact CZ3-CB 3.92Å |
| 14 | Y | 87.1 | Confident | 88.5 | Confident | 11 Ų | 11 | 51.8 Ų | 51.8 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 149.6 | 178.8 | -52.4 | -84.1 | 0 | 0 | 0 | 111 | V20 L96 F97 W204 | Y14-V20 HydrophobicContact CD1-CB 4.23Å; Y14-V20 HydrophobicContact CD1-CG1 4.05Å; Y14-V20 HydrophobicContact CD1-CG2 3.7Å; Y14-V20 HydrophobicContact CE1-CB 3.97Å; Y14-V20 HydrophobicContact CE1-CG1 3.67Å; Y14-V20 HydrophobicContact CE1-CG2 3.22Å; Y14-L96 VanDerWaalsContact O-CA 3.26Å; Y14-L96 WeakPolarHBondContact O-CA 3.11Å; Y14-F97 WeakPolarHBondContact CD2-O 3.39Å; Y14-F97 PolarHBondContact N-O 3Å; Y14-F97 PolarHBondContact O-N 3.31Å; Y14-W204 AromaticContact CD1-CD2 3.88Å; Y14-W204 HydrophobicContact CD1-CD2 3.88Å; Y14-W204 AromaticContact CD1-CE3 3.7Å; Y14-W204 HydrophobicContact CD1-CE3 3.7Å; Y14-W204 HydrophobicContact CD1-CG 4.22Å; Y14-W204 HydrophobicContact CD1-CZ3 4.26Å; Y14-W204 AromaticContact CE1-CD2 3.77Å; Y14-W204 HydrophobicContact CE1-CD2 3.77Å; Y14-W204 AromaticContact CE1-CE3 3.24Å; Y14-W204 HydrophobicContact CE1-CE3 3.24Å; Y14-W204 AromaticContact CE1-CH2 3.96Å; Y14-W204 HydrophobicContact CE1-CH2 3.96Å; Y14-W204 HydrophobicContact CE1-CZ2 4.4Å; Y14-W204 AromaticContact CE1-CZ3 3.35Å; Y14-W204 HydrophobicContact CE1-CZ3 3.35Å; Y14-W204 HydrophobicContact CE2-CE3 4.34Å; Y14-W204 HydrophobicContact CE2-CZ3 4.5Å; Y14-W204 HydrophobicContact CG-CE3 4.44Å; Y14-W204 AromaticContact CZ-CE3 3.68Å; Y14-W204 AromaticContact CZ-CZ3 3.56Å; Y14-W204 WeakPolarHBondContact OH-CZ3 3.44Å |
| 15 | H | 87.5 | Confident | 88.5 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 10% | 0.102 | 27% | 0.269 | C | S | . | . | trans | -147.2 | 112.9 | 172.2 | 173 | -130 | 0 | 0 | 0 | 109.2 | D17 Q18 F21 I94 T95 L96 | H15-D17 PolarHBondContact O-N 3.02Å; H15-Q18 WeakPolarHBondContact O-CB 3.32Å; H15-Q18 WeakPolarHBondContact O-CG 3.25Å; H15-Q18 PolarHBondContact O-N 3.25Å; H15-F21 HydrophobicContact CB-CE1 4.37Å; H15-I94 WeakPolarHBondContact NE2-CG2 3.32Å; H15-T95 PolarHBondContact CD2-O 3.31Å; H15-T95 VanDerWaalsContact CD2-O 3.32Å; H15-L96 HydrophobicContact CB-CD2 3.64Å | ||
| 16 | N | 83.5 | Confident | 88.4 | Confident | 36 Ų | 36 | 50.7 Ų | 50.7 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | -133.7 | 179.9 | -61.2 | -3.2 | 0 | 0 | 0 | 111.6 | Q18 S227 G228 | N16-Q18 PolarHBondContact O-N 2.84Å; N16-S227 WeakPolarHBondContact CA-OG 3.4Å; N16-G228 WeakPolarHBondContact OD1-CA 3.42Å; N16-G228 PolarHBondContact OD1-N 2.87Å |
| 17 | D | 74.7 | Confident | 88.5 | Confident | 120 Ų | 120 | 53.3 Ų | 53.3 | 64% | 0.642 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 13.5 | -179.8 | -51.2 | -28.4 | 0 | 0 | 0 | 112 | H15 D205 | H15-D17 PolarHBondContact O-N 3.02Å; D17-D205 VanDerWaalsContact OD1-OD1 3.1Å |
| 18 | Q | 79.2 | Confident | 88.6 | Confident | 102 Ų | 102 | 49.8 Ų | 49.8 | 48% | 0.477 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -76.2 | 148.9 | 177.2 | -62.4 | -107 | -34.5 | 0 | 0 | 110.5 | H15 N16 | H15-Q18 WeakPolarHBondContact O-CB 3.32Å; H15-Q18 WeakPolarHBondContact O-CG 3.25Å; H15-Q18 PolarHBondContact O-N 3.25Å; N16-Q18 PolarHBondContact O-N 2.84Å |
| 19 | P | 77.7 | Confident | 88.6 | Confident | 104 Ų | 104 | 43.6 Ų | 43.6 | 68% | 0.675 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -54.3 | 147.3 | 169.3 | -23.3 | 33.3 | 0 | 0 | 0 | 111.5 | F21 | P19-F21 PolarHBondContact O-N 3.13Š|
| 20 | V | 83.6 | Confident | 88.5 | Confident | 52 Ų | 52 | 47.2 Ų | 47.2 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 135.5 | 171.6 | -161.9 | 0 | 0 | 0 | 0 | 109.2 | E12 Y14 | E12-V20 HydrophobicContact CB-CG1 3.72Å; E12-V20 HydrophobicContact CG-CG1 4.06Å; Y14-V20 HydrophobicContact CD1-CB 4.23Å; Y14-V20 HydrophobicContact CD1-CG1 4.05Å; Y14-V20 HydrophobicContact CD1-CG2 3.7Å; Y14-V20 HydrophobicContact CE1-CB 3.97Å; Y14-V20 HydrophobicContact CE1-CG1 3.67Å; Y14-V20 HydrophobicContact CE1-CG2 3.22Å |
| 21 | F | 88.1 | Confident | 88.4 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 8% | 0.075 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 147.8 | 174.4 | 67.8 | -89.5 | 0 | 0 | 0 | 111 | E12 W13 H15 P19 I23 F28 L96 | E12-F21 CarbonylContact C-O 3.49Å; E12-F21 WeakPolarHBondContact CA-O 3.26Å; W13-F21 HydrophobicContact CB-CD2 4.5Å; W13-F21 HydrophobicContact CB-CE1 4.25Å; W13-F21 HydrophobicContact CB-CE2 4Å; W13-F21 HydrophobicContact CB-CZ 3.87Å; W13-F21 PolarHBondContact N-O 3.23Å; W13-F21 WeakPolarHBondContact O-CD1 3.02Å; W13-F21 PolarHBondContact O-N 3.27Å; H15-F21 HydrophobicContact CB-CE1 4.37Å; P19-F21 PolarHBondContact O-N 3.13Å; F21-I23 HydrophobicContact CD2-CG1 4.26Å; F21-I23 HydrophobicContact CE2-CD1 4.19Å; F21-I23 HydrophobicContact CE2-CG1 3.9Å; F21-F28 AromaticContact CE2-CD1 3.87Å; F21-F28 HydrophobicContact CE2-CD1 3.87Å; F21-F28 AromaticContact CE2-CE1 3.72Å; F21-F28 HydrophobicContact CE2-CE1 3.72Å; F21-F28 HydrophobicContact CZ-CE1 4.1Å; F21-L96 HydrophobicContact CE1-CD2 4.11Å; F21-L96 HydrophobicContact CE2-CD1 4.42Å; F21-L96 HydrophobicContact CZ-CD1 3.78Å; F21-L96 HydrophobicContact CZ-CD2 3.78Å; F21-L96 HydrophobicContact CZ-CG 4.38Å |
| 22 | S | 90.8 | Very high | 88.6 | Confident | 61 Ų | 61 | 45.5 Ų | 45.5 | 43% | 0.427 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133.6 | 178.9 | -71.6 | 0 | 0 | 0 | 0 | 111.2 | G11 G29 | G11-S22 CarbonylContact O-C 3.56Å; G11-S22 WeakPolarHBondContact O-CA 3.08Å; S22-G29 WeakPolarHBondContact O-CA 3.18Å; S22-G29 PolarHBondContact O-N 3.02Å |
| 23 | I | 93.2 | Very high | 89 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 130.5 | 164.1 | -57.8 | 177.4 | 0 | 0 | 0 | 106.9 | F5 W9 H10 G11 W13 F21 H27 F28 L67 | F5-I23 HydrophobicContact CB-CG2 4.22Å; F5-I23 HydrophobicContact CD2-CG2 4.45Å; F5-I23 HydrophobicContact CG-CG2 4.32Å; W9-I23 HydrophobicContact CB-CG2 4.29Å; H10-I23 CarbonylContact C-O 3.59Å; H10-I23 VanDerWaalsContact CA-O 3.24Å; H10-I23 WeakPolarHBondContact CA-O 3.38Å; G11-I23 PolarHBondContact N-O 3.24Å; G11-I23 PolarHBondContact O-N 3.15Å; W13-I23 HydrophobicContact CD2-CD1 4.29Å; W13-I23 HydrophobicContact CG-CD1 3.87Å; W13-I23 HydrophobicContact CG-CG1 4.31Å; F21-I23 HydrophobicContact CD2-CG1 4.26Å; F21-I23 HydrophobicContact CE2-CD1 4.19Å; F21-I23 HydrophobicContact CE2-CG1 3.9Å; I23-H27 WeakPolarHBondContact CA-O 3.45Å; I23-F28 HydrophobicContact CD1-CD1 4.13Å; I23-F28 HydrophobicContact CD1-CD2 3.88Å; I23-F28 HydrophobicContact CD1-CE1 3.73Å; I23-F28 HydrophobicContact CD1-CE2 3.47Å; I23-F28 VanDerWaalsContact CD1-CE2 3.47Å; I23-F28 HydrophobicContact CD1-CG 4.22Å; I23-F28 HydrophobicContact CD1-CZ 3.38Å; I23-F28 HydrophobicContact CG1-CD1 4.19Å; I23-F28 HydrophobicContact CG1-CD2 4.21Å; I23-F28 HydrophobicContact CG1-CE1 4.25Å; I23-F28 HydrophobicContact CG1-CE2 4.28Å; I23-F28 HydrophobicContact CG1-CG 4.18Å; I23-F28 HydrophobicContact CG1-CZ 4.31Å; I23-F28 HydrophobicContact CG2-CD2 4.24Å; I23-L67 HydrophobicContact CD1-CD1 4.31Å |
| 24 | N | 92.3 | Very high | 89.2 | Confident | 68 Ų | 68 | 45.3 Ų | 45.3 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | trans | -127.6 | -167.7 | 172.9 | 67.8 | 35.7 | 0 | 0 | 0 | 109.6 | F5 S26 H27 | F5-N24 WeakPolarHBondContact CD2-O 3.38Å; N24-S26 VanDerWaalsContact C-N 3.28Å; N24-S26 PolarHBondContact O-N 3.49Å; N24-S26 PolarHBondContact OD1-N 3.23Å; N24-S26 PolarHBondContact OD1-OG 2.64Å; N24-H27 PolarHBondContact N-O 3.02Å; N24-H27 PolarHBondContact OD1-N 3.26Å | ||
| 25 | A | 93.7 | Very high | 89.6 | Confident | 32 Ų | 32 | 48 Ų | 48 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -59.5 | -36.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q4 F5 H10 | Q4-A25 CarbonylContact C-O 3.59Å; Q4-A25 WeakPolarHBondContact CA-O 3.45Å; F5-A25 PolarHBondContact N-O 3.23Å; H10-A25 WeakPolarHBondContact NE2-CA 3.37Å; H10-A25 PolarHBondContact NE2-N 3.1Å |
| 26 | S | 94.3 | Very high | 90 | Very high | 53 Ų | 53 | 51.1 Ų | 51.1 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -112.3 | -21 | -171.1 | 55.3 | 0 | 0 | 0 | 0 | 114.8 | N24 S33 C34 | N24-S26 VanDerWaalsContact C-N 3.28Å; N24-S26 PolarHBondContact O-N 3.49Å; N24-S26 PolarHBondContact OD1-N 3.23Å; N24-S26 PolarHBondContact OD1-OG 2.64Å; S26-S33 CarbonylContact O-C 3.59Å; S26-S33 VanDerWaalsContact O-CA 3.25Å; S26-S33 WeakPolarHBondContact O-CA 3.4Å; S26-C34 PolarHBondContact O-N 2.89Å |
| 27 | H | 95 | Very high | 90.6 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -124 | 139.8 | -174.2 | -67.2 | 72.1 | 0 | 0 | 0 | 112.1 | F5 I23 N24 G32 | F5-H27 VanDerWaalsContact CE2-C 3.46Å; I23-H27 WeakPolarHBondContact CA-O 3.45Å; N24-H27 PolarHBondContact N-O 3.02Å; N24-H27 PolarHBondContact OD1-N 3.26Å; H27-G32 WeakPolarHBondContact CA-O 3.42Å |
| 28 | F | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -103 | 65.6 | 171.6 | -155.8 | -73.5 | 0 | 0 | 0 | 109.4 | F5 W9 F21 I23 S30 R31 G32 L44 L57 V59 L69 L96 | F5-F28 AromaticContact CD1-CD2 3.97Å; F5-F28 HydrophobicContact CD1-CD2 3.97Å; F5-F28 HydrophobicContact CE1-CB 4.22Å; F5-F28 AromaticContact CE1-CD2 3.69Å; F5-F28 HydrophobicContact CE1-CD2 3.69Å; F5-F28 HydrophobicContact CE1-CG 4.43Å; F5-F28 HydrophobicContact CE2-CB 3.95Å; F5-F28 HydrophobicContact CZ-CB 3.66Å; F5-F28 HydrophobicContact CZ-CD2 4.01Å; F5-F28 HydrophobicContact CZ-CG 4.34Å; W9-F28 HydrophobicContact CE3-CE2 4.45Å; F21-F28 AromaticContact CE2-CD1 3.87Å; F21-F28 HydrophobicContact CE2-CD1 3.87Å; F21-F28 AromaticContact CE2-CE1 3.72Å; F21-F28 HydrophobicContact CE2-CE1 3.72Å; F21-F28 HydrophobicContact CZ-CE1 4.1Å; I23-F28 HydrophobicContact CD1-CD1 4.13Å; I23-F28 HydrophobicContact CD1-CD2 3.88Å; I23-F28 HydrophobicContact CD1-CE1 3.73Å; I23-F28 HydrophobicContact CD1-CE2 3.47Å; I23-F28 VanDerWaalsContact CD1-CE2 3.47Å; I23-F28 HydrophobicContact CD1-CG 4.22Å; I23-F28 HydrophobicContact CD1-CZ 3.38Å; I23-F28 HydrophobicContact CG1-CD1 4.19Å; I23-F28 HydrophobicContact CG1-CD2 4.21Å; I23-F28 HydrophobicContact CG1-CE1 4.25Å; I23-F28 HydrophobicContact CG1-CE2 4.28Å; I23-F28 HydrophobicContact CG1-CG 4.18Å; I23-F28 HydrophobicContact CG1-CZ 4.31Å; I23-F28 HydrophobicContact CG2-CD2 4.24Å; F28-S30 PolarHBondContact O-N 3.11Å; F28-R31 HydrophobicContact CB-CB 4.37Å; F28-R31 HydrophobicContact CD1-CB 4.35Å; F28-R31 HydrophobicContact CD1-CG 4.36Å; F28-R31 VanDerWaalsContact O-CB 3.28Å; F28-R31 WeakPolarHBondContact O-CB 3.15Å; F28-R31 PolarHBondContact O-N 3.41Å; F28-G32 PolarHBondContact N-O 3.28Å; F28-L44 HydrophobicContact CB-CD1 4.28Å; F28-L57 HydrophobicContact CD1-CD2 4.19Å; F28-L57 HydrophobicContact CD2-CD2 3.68Å; F28-L57 HydrophobicContact CE1-CD2 4.19Å; F28-L57 HydrophobicContact CE2-CD2 3.67Å; F28-L57 HydrophobicContact CG-CD2 3.94Å; F28-L57 HydrophobicContact CZ-CD2 3.93Å; F28-V59 HydrophobicContact CE2-CG2 4.27Å; F28-L69 HydrophobicContact CE1-CD2 4.01Å; F28-L69 HydrophobicContact CZ-CD2 4Å; F28-L96 HydrophobicContact CE1-CD1 3.7Å; F28-L96 HydrophobicContact CZ-CD1 3.64Å |
| 29 | G | 91 | Very high | 92.2 | Very high | 21 Ų | 21 | 60.4 Ų | 60.4 | 22% | 0.216 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | 54.1 | -134.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | S22 R31 | S22-G29 WeakPolarHBondContact O-CA 3.18Å; S22-G29 PolarHBondContact O-N 3.02Å; G29-R31 PolarHBondContact O-N 2.82Å |
| 30 | S | 88.9 | Confident | 93.1 | Very high | 88 Ų | 88 | 58.1 Ų | 58.1 | 62% | 0.615 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -72.3 | -5.8 | 176.9 | 55.4 | 0 | 0 | 0 | 0 | 114.4 | F28 G32 | F28-S30 PolarHBondContact O-N 3.11Å; S30-G32 VanDerWaalsContact C-N 3.29Å; S30-G32 PolarHBondContact O-N 3.25Å |
| 31 | R | 91.7 | Very high | 93.7 | Very high | 29 Ų | 29 | 60.3 Ų | 60.3 | 11% | 0.109 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -78.4 | -11.1 | 178.7 | -63.8 | -179 | 164.7 | 72.9 | 2.4 | 113.7 | F28 G29 L44 V46 E71 | F28-R31 HydrophobicContact CB-CB 4.37Å; F28-R31 HydrophobicContact CD1-CB 4.35Å; F28-R31 HydrophobicContact CD1-CG 4.36Å; F28-R31 VanDerWaalsContact O-CB 3.28Å; F28-R31 WeakPolarHBondContact O-CB 3.15Å; F28-R31 PolarHBondContact O-N 3.41Å; G29-R31 PolarHBondContact O-N 2.82Å; R31-L44 HydrophobicContact CB-CD1 3.93Å; R31-V46 WeakPolarHBondContact O-CG2 3.34Å; R31-E71 IonicContact CZ-OE2 3.51Å; R31-E71 IonicContact NE-OE2 2.93Å; R31-E71 PolarHBondContact NE-OE2 2.88Å; R31-E71 IonicContact NH2-OE2 2.73Å |
| 32 | G | 94 | Very high | 94.1 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | trans | 112.1 | -173.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115 | H27 F28 S30 V45 | H27-G32 WeakPolarHBondContact CA-O 3.42Å; F28-G32 PolarHBondContact N-O 3.28Å; S30-G32 VanDerWaalsContact C-N 3.29Å; S30-G32 PolarHBondContact O-N 3.25Å; G32-V45 CarbonylContact C-O 3.51Å; G32-V45 WeakPolarHBondContact CA-O 3.25Å | ||
| 33 | S | 95.9 | Very high | 94.4 | Very high | 27 Ų | 27 | 56.8 Ų | 56.8 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 145.8 | -176.7 | 61.7 | 0 | 0 | 0 | 0 | 112 | S26 V35 L44 V45 | S26-S33 CarbonylContact O-C 3.59Å; S26-S33 VanDerWaalsContact O-CA 3.25Å; S26-S33 WeakPolarHBondContact O-CA 3.4Å; S33-V35 PolarHBondContact O-N 3.46Å; S33-L44 VanDerWaalsContact O-CA 3.26Å; S33-L44 WeakPolarHBondContact O-CA 3.45Å; S33-V45 PolarHBondContact N-O 3.05Å; S33-V45 PolarHBondContact O-N 3.3Å; S33-V45 WeakPolarHBondContact OG-CG1 3.46Å; S33-V45 PolarHBondContact OG-O 2.03Å |
| 34 | C | 96.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 118.3 | 179.8 | -163.7 | 0 | 0 | 0 | 0 | 110.1 | C3 F5 S26 | C3-C34 HydrophobicContact CB-CB 3.76Å; C3-C34 WeakPolarHBondContact CB-O 3.25Å; C3-C34 WeakPolarHBondContact CB-SG 3.32Å; C3-C34 WeakPolarHBondContact SG-CB 3.46Å; C3-C34 CovalentContact SG-SG 2.03Å; C3-C34 PolarHBondContact SG-SG 3.32Å; F5-C34 HydrophobicContact CD2-CB 4.47Å; F5-C34 HydrophobicContact CE2-CB 3.79Å; F5-C34 HydrophobicContact CZ-CB 3.88Å; S26-C34 PolarHBondContact O-N 2.89Å |
| 35 | V | 95.8 | Very high | 94.7 | Very high | 68 Ų | 68 | 54 Ų | 54 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -50 | 175.5 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | C3 S33 L43 V45 W54 | C3-V35 WeakPolarHBondContact CB-O 3.35Å; S33-V35 PolarHBondContact O-N 3.46Å; V35-L43 HydrophobicContact CB-CG 4.49Å; V35-L43 PolarHBondContact N-O 2.9Å; V35-V45 HydrophobicContact CG2-CB 3.94Å; V35-V45 HydrophobicContact CG2-CG1 3.51Å; V35-W54 HydrophobicContact CB-CZ3 4.25Å; V35-W54 HydrophobicContact CG1-CH2 4.1Å; V35-W54 HydrophobicContact CG1-CZ3 3.98Å; V35-W54 HydrophobicContact CG2-CH2 4.27Å; V35-W54 HydrophobicContact CG2-CZ3 4.1Å |
| 36 | E | 95.6 | Very high | 94.8 | Very high | 87 Ų | 87 | 54.4 Ų | 54.4 | 41% | 0.407 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 146.3 | -178.2 | -163.1 | -174.9 | 157.6 | 0 | 0 | 110.9 | C3 F42 L43 L80 | C3-E36 VanDerWaalsContact SG-CA 3.56Å; C3-E36 PolarHBondContact SG-N 2.82Å; C3-E36 PolarHBondContact SG-O 2.93Å; C3-E36 VanDerWaalsContact SG-O 3.41Å; E36-F42 WeakPolarHBondContact O-CA 3.4Å; E36-L43 HydrophobicContact CB-CB 3.95Å; E36-L43 HydrophobicContact CB-CD2 4.21Å; E36-L43 PolarHBondContact O-N 2.82Å; E36-L80 HydrophobicContact CB-CB 4.44Å; E36-L80 HydrophobicContact CG-CB 4.31Å; E36-L80 HydrophobicContact CG-CD2 4.5Å; E36-L80 PolarHBondContact OE2-N 2.83Å |
| 37 | R | 95.1 | Very high | 94.5 | Very high | 129 Ų | 129 | 59.4 Ų | 59.4 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 130.7 | 177.9 | -177.1 | -177.1 | 81.3 | 101.8 | -7.4 | 111 | R39 R41 F42 | R37-R39 PolarHBondContact NH1-O 2.87Å; R37-R39 VanDerWaalsContact NH1-O 3.11Å; R37-R41 WeakPolarHBondContact CA-O 3.4Å; R37-F42 HydrophobicContact CB-CD1 4.08Å; R37-F42 HydrophobicContact CB-CE1 4.34Å; R37-F42 HydrophobicContact CG-CD1 3.65Å; R37-F42 HydrophobicContact CG-CE1 3.52Å; R37-F42 HydrophobicContact CG-CG 4.34Å; R37-F42 HydrophobicContact CG-CZ 4.07Å |
| 38 | L | 95.1 | Very high | 94 | Very high | 109 Ų | 109 | 61 Ų | 61 | 57% | 0.571 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 112.4 | 167.2 | -174.2 | 64 | 0 | 0 | 0 | 110 | N40 R41 L80 | L38-N40 PolarHBondContact O-N 3.05Å; L38-R41 PolarHBondContact N-O 2.98Å; L38-R41 WeakPolarHBondContact O-CB 3.32Å; L38-R41 PolarHBondContact O-N 3.11Å; L38-L80 HydrophobicContact CB-CD2 3.35Å |
| 39 | R | 93.7 | Very high | 93.4 | Very high | 215 Ų | 215 | 71.8 Ų | 71.8 | 81% | 0.811 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | -107.3 | -175.6 | -59 | 178.4 | 178.7 | 178.3 | -0 | 111.3 | R37 | R37-R39 PolarHBondContact NH1-O 2.87Å; R37-R39 VanDerWaalsContact NH1-O 3.11Å |
| 40 | N | 95 | Very high | 93 | Very high | 57 Ų | 57 | 82.7 Ų | 82.7 | 31% | 0.305 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 8.1 | -179.5 | 75.5 | -40 | 0 | 0 | 0 | 113.4 | L38 F42 I58 V59 | L38-N40 PolarHBondContact O-N 3.05Å; N40-F42 WeakPolarHBondContact O-CD2 3.45Å; N40-F42 WeakPolarHBondContact O-CE2 3.14Å; N40-I58 WeakPolarHBondContact ND2-CG2 3.32Å; N40-I58 WeakPolarHBondContact O-CA 3.36Å; N40-V59 WeakPolarHBondContact CB-O 3.4Å; N40-V59 PolarHBondContact ND2-O 3.01Å; N40-V59 VanDerWaalsContact ND2-O 3.11Å; N40-V59 PolarHBondContact O-N 3.03Å |
| 41 | R | 96.1 | Very high | 92.9 | Very high | 98 Ų | 98 | 84.7 Ų | 84.7 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 134.5 | 174.8 | -51.5 | -172.9 | 178.2 | -160 | -2.1 | 109.2 | R37 L38 L57 I58 L80 | R37-R41 WeakPolarHBondContact CA-O 3.4Å; L38-R41 PolarHBondContact N-O 2.98Å; L38-R41 WeakPolarHBondContact O-CB 3.32Å; L38-R41 PolarHBondContact O-N 3.11Å; R41-L57 CarbonylContact C-O 3.55Å; R41-L57 WeakPolarHBondContact CA-O 3.26Å; R41-I58 HydrophobicContact CG-CD1 4.31Å; R41-I58 HydrophobicContact CG-CG1 4.1Å; R41-L80 HydrophobicContact CB-CD1 4.19Å; R41-L80 HydrophobicContact CB-CD2 4.33Å |
| 42 | F | 97.1 | Very high | 93 | Very high | 1 Ų | 1 | 86.8 Ų | 86.8 | 0% | 0.004 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.9 | -177.1 | -58.2 | -102.3 | 0 | 0 | 0 | 108.8 | F5 W9 E36 R37 N40 L44 C56 L57 V59 | F5-F42 AromaticContact CD1-CD1 3.67Å; F5-F42 HydrophobicContact CD1-CD1 3.67Å; F5-F42 AromaticContact CD1-CE1 3.52Å; F5-F42 HydrophobicContact CD1-CE1 3.52Å; F5-F42 HydrophobicContact CD1-CG 4.4Å; F5-F42 HydrophobicContact CD1-CZ 4.19Å; F5-F42 HydrophobicContact CE1-CB 4.26Å; F5-F42 AromaticContact CE1-CD1 3.43Å; F5-F42 HydrophobicContact CE1-CD1 3.43Å; F5-F42 VanDerWaalsContact CE1-CD1 3.43Å; F5-F42 AromaticContact CE1-CE1 3.82Å; F5-F42 HydrophobicContact CE1-CE1 3.82Å; F5-F42 AromaticContact CE1-CG 3.88Å; F5-F42 HydrophobicContact CE1-CG 3.88Å; F5-F42 HydrophobicContact CZ-CD1 4.45Å; W9-F42 AromaticContact CH2-CE2 3.89Å; W9-F42 HydrophobicContact CH2-CE2 3.89Å; W9-F42 AromaticContact CH2-CZ 3.82Å; W9-F42 HydrophobicContact CH2-CZ 3.82Å; W9-F42 HydrophobicContact CZ3-CE1 4.44Å; W9-F42 AromaticContact CZ3-CE2 3.81Å; W9-F42 HydrophobicContact CZ3-CE2 3.81Å; W9-F42 AromaticContact CZ3-CZ 3.58Å; W9-F42 HydrophobicContact CZ3-CZ 3.58Å; E36-F42 WeakPolarHBondContact O-CA 3.4Å; R37-F42 HydrophobicContact CB-CD1 4.08Å; R37-F42 HydrophobicContact CB-CE1 4.34Å; R37-F42 HydrophobicContact CG-CD1 3.65Å; R37-F42 HydrophobicContact CG-CE1 3.52Å; R37-F42 HydrophobicContact CG-CG 4.34Å; R37-F42 HydrophobicContact CG-CZ 4.07Å; N40-F42 WeakPolarHBondContact O-CD2 3.45Å; N40-F42 WeakPolarHBondContact O-CE2 3.14Å; F42-L44 HydrophobicContact CB-CD2 4.19Å; F42-C56 CarbonylContact O-C 3.59Å; F42-C56 WeakPolarHBondContact O-CA 3.19Å; F42-L57 HydrophobicContact CB-CB 4.34Å; F42-L57 PolarHBondContact N-O 2.82Å; F42-L57 PolarHBondContact O-N 2.7Å; F42-V59 HydrophobicContact CD2-CG2 4.09Å; F42-V59 HydrophobicContact CE2-CB 4.29Å; F42-V59 HydrophobicContact CE2-CG2 4.03Å |
| 43 | L | 97.2 | Very high | 93 | Very high | 2 Ų | 2 | 86.9 Ų | 86.9 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.3 | 170.4 | -173.4 | 61.2 | 0 | 0 | 0 | 107.7 | V35 E36 W54 G78 L80 V83 | V35-L43 HydrophobicContact CB-CG 4.49Å; V35-L43 PolarHBondContact N-O 2.9Å; E36-L43 HydrophobicContact CB-CB 3.95Å; E36-L43 HydrophobicContact CB-CD2 4.21Å; E36-L43 PolarHBondContact O-N 2.82Å; L43-W54 HydrophobicContact CD1-CE3 3.93Å; L43-W54 HydrophobicContact CD2-CE3 3.75Å; L43-W54 HydrophobicContact CD2-CZ3 3.54Å; L43-W54 HydrophobicContact CG-CE3 3.75Å; L43-W54 HydrophobicContact CG-CZ3 3.92Å; L43-G78 WeakPolarHBondContact CD2-O 3.22Å; L43-L80 HydrophobicContact CB-CB 4.41Å; L43-L80 HydrophobicContact CB-CD1 3.72Å; L43-V83 HydrophobicContact CD1-CB 3.79Å; L43-V83 HydrophobicContact CD1-CG1 4.01Å; L43-V83 HydrophobicContact CD1-CG2 3.78Å |
| 44 | L | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 145.1 | -179.1 | -52.7 | -177.8 | 0 | 0 | 0 | 110.6 | F5 F28 R31 S33 F42 W54 T55 L57 | F5-L44 HydrophobicContact CE1-CD2 4.16Å; F5-L44 HydrophobicContact CZ-CD2 3.52Å; F28-L44 HydrophobicContact CB-CD1 4.28Å; R31-L44 HydrophobicContact CB-CD1 3.93Å; S33-L44 VanDerWaalsContact O-CA 3.26Å; S33-L44 WeakPolarHBondContact O-CA 3.45Å; F42-L44 HydrophobicContact CB-CD2 4.19Å; L44-W54 WeakPolarHBondContact O-CA 2.97Å; L44-T55 PolarHBondContact N-O 3.41Å; L44-T55 PolarHBondContact O-N 3.11Å; L44-L57 HydrophobicContact CD1-CB 3.86Å; L44-L57 HydrophobicContact CD1-CD2 3.9Å; L44-L57 HydrophobicContact CD1-CG 4.41Å; L44-L57 HydrophobicContact CG-CB 4.29Å |
| 45 | V | 95.8 | Very high | 93 | Very high | 13 Ų | 13 | 88.1 Ų | 88.1 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.8 | 169.3 | 69.1 | 0 | 0 | 0 | 0 | 110.2 | G32 S33 V35 D52 C53 W54 | G32-V45 CarbonylContact C-O 3.51Å; G32-V45 WeakPolarHBondContact CA-O 3.25Å; S33-V45 PolarHBondContact N-O 3.05Å; S33-V45 PolarHBondContact O-N 3.3Å; S33-V45 WeakPolarHBondContact OG-CG1 3.46Å; S33-V45 PolarHBondContact OG-O 2.03Å; V35-V45 HydrophobicContact CG2-CB 3.94Å; V35-V45 HydrophobicContact CG2-CG1 3.51Å; V45-D52 HydrophobicContact CG2-CB 3.85Å; V45-C53 WeakPolarHBondContact CA-O 3.26Å; V45-W54 HydrophobicContact CB-CD2 4.42Å; V45-W54 HydrophobicContact CG2-CD2 4.29Å; V45-W54 HydrophobicContact CG2-CG 4.5Å; V45-W54 HydrophobicContact CG2-CZ2 4.24Å |
| 46 | V | 94.4 | Very high | 93 | Very high | 40 Ų | 40 | 84.9 Ų | 84.9 | 24% | 0.242 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 110.5 | 165.3 | -177.7 | 0 | 0 | 0 | 0 | 107.1 | R31 K48 C53 | R31-V46 WeakPolarHBondContact O-CG2 3.34Å; V46-K48 HydrophobicContact CG1-CG 4.31Å; V46-K48 PolarHBondContact O-N 2.95Å; V46-C53 HydrophobicContact CB-CB 4.17Å; V46-C53 PolarHBondContact N-O 3.2Å; V46-C53 PolarHBondContact O-N 3.1Å |
| 47 | E | 87.9 | Confident | 93 | Very high | 157 Ų | 157 | 80.8 Ų | 80.8 | 73% | 0.734 | 35% | 0.353 | S | S | * | . | trans | -63.8 | 124.4 | 173.8 | -66.6 | 179 | -173.4 | 0 | 0 | 109.4 | D52 | E47-D52 WeakPolarHBondContact CA-OD1 3.4Š| ||
| 48 | K | 85.6 | Confident | 93 | Very high | 116 Ų | 116 | 75.6 Ų | 75.6 | 50% | 0.504 | 34% | 0.335 | S | S | . | . | trans | -127.9 | 149.5 | 175.8 | -63.4 | -177.2 | 177.7 | 177.5 | 0 | 109.2 | V46 R50 Q51 D52 C53 | V46-K48 HydrophobicContact CG1-CG 4.31Å; V46-K48 PolarHBondContact O-N 2.95Å; K48-R50 PolarHBondContact O-N 3.2Å; K48-Q51 WeakPolarHBondContact CB-O 3.22Å; K48-Q51 PolarHBondContact O-N 2.88Å; K48-D52 PolarHBondContact N-OD1 3.17Å; K48-C53 HydrophobicContact CD-CB 4.29Å | ||
| 49 | K | 82.7 | Confident | 93.1 | Very high | 227 Ų | 227 | 70.6 Ų | 70.6 | 99% | 0.987 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -52.6 | -27.5 | -177.9 | -67.9 | -173.1 | 177.5 | -178 | 0 | 115.5 | ||
| 50 | R | 82.3 | Confident | 93.1 | Very high | 250 Ų | 250 | 63.7 Ų | 63.7 | 94% | 0.943 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -101.8 | -50.1 | -177.5 | -73.5 | -172.6 | 176.5 | 172.9 | -0.5 | 112.9 | K48 | K48-R50 PolarHBondContact O-N 3.2Š|
| 51 | Q | 86.7 | Confident | 93.1 | Very high | 129 Ų | 129 | 64.5 Ų | 64.5 | 60% | 0.603 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -157.7 | 128.5 | -175 | -175.4 | 176.8 | 7.8 | 0 | 0 | 109 | K48 | K48-Q51 WeakPolarHBondContact CB-O 3.22Å; K48-Q51 PolarHBondContact O-N 2.88Å |
| 52 | D | 92.4 | Very high | 93.1 | Very high | 73 Ų | 73 | 61.8 Ų | 61.8 | 39% | 0.39 | 28% | 0.278 | S | S | . | . | trans | -60.9 | 139.3 | 176.5 | -62.8 | -21.6 | 0 | 0 | 0 | 111 | V45 E47 K48 | V45-D52 HydrophobicContact CG2-CB 3.85Å; E47-D52 WeakPolarHBondContact CA-OD1 3.4Å; K48-D52 PolarHBondContact N-OD1 3.17Å | ||
| 53 | C | 94.7 | Very high | 93 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 115.2 | -177.8 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | V45 V46 K48 C74 | V45-C53 WeakPolarHBondContact CA-O 3.26Å; V46-C53 HydrophobicContact CB-CB 4.17Å; V46-C53 PolarHBondContact N-O 3.2Å; V46-C53 PolarHBondContact O-N 3.1Å; K48-C53 HydrophobicContact CD-CB 4.29Å; C53-C74 HydrophobicContact CB-CB 4.45Å; C53-C74 WeakPolarHBondContact CB-SG 3.42Å; C53-C74 WeakPolarHBondContact SG-CA 3.29Å; C53-C74 WeakPolarHBondContact SG-CB 3.27Å; C53-C74 CovalentContact SG-SG 2.01Å; C53-C74 PolarHBondContact SG-SG 2.81Å |
| 54 | W | 96.3 | Very high | 92.8 | Very high | 51 Ų | 51 | 68.8 Ų | 68.8 | 19% | 0.193 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.5 | 179.1 | -67.8 | 69.5 | 0 | 0 | 0 | 110.3 | V35 L43 L44 V45 G75 A77 | V35-W54 HydrophobicContact CB-CZ3 4.25Å; V35-W54 HydrophobicContact CG1-CH2 4.1Å; V35-W54 HydrophobicContact CG1-CZ3 3.98Å; V35-W54 HydrophobicContact CG2-CH2 4.27Å; V35-W54 HydrophobicContact CG2-CZ3 4.1Å; L43-W54 HydrophobicContact CD1-CE3 3.93Å; L43-W54 HydrophobicContact CD2-CE3 3.75Å; L43-W54 HydrophobicContact CD2-CZ3 3.54Å; L43-W54 HydrophobicContact CG-CE3 3.75Å; L43-W54 HydrophobicContact CG-CZ3 3.92Å; L44-W54 WeakPolarHBondContact O-CA 2.97Å; V45-W54 HydrophobicContact CB-CD2 4.42Å; V45-W54 HydrophobicContact CG2-CD2 4.29Å; V45-W54 HydrophobicContact CG2-CG 4.5Å; V45-W54 HydrophobicContact CG2-CZ2 4.24Å; W54-G75 PolarHBondContact N-O 2.8Å; W54-G75 PolarHBondContact O-N 2.85Å; W54-A77 HydrophobicContact CD2-CB 3.96Å; W54-A77 HydrophobicContact CG-CB 4.11Å; W54-A77 HydrophobicContact CZ2-CB 4.07Å |
| 55 | T | 96 | Very high | 92.7 | Very high | 19 Ų | 19 | 68.9 Ų | 68.9 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.9 | 178.7 | 57.5 | 0 | 0 | 0 | 0 | 111.1 | L44 T72 | L44-T55 PolarHBondContact N-O 3.41Å; L44-T55 PolarHBondContact O-N 3.11Å; T55-T72 VanDerWaalsContact CA-OG1 3.32Å; T55-T72 WeakPolarHBondContact CA-OG1 3.44Å |
| 56 | C | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131 | 166.3 | 168.2 | 0 | 0 | 0 | 0 | 109 | F42 E71 T72 V83 C84 L87 | F42-C56 CarbonylContact O-C 3.59Å; F42-C56 WeakPolarHBondContact O-CA 3.19Å; C56-E71 WeakPolarHBondContact O-CA 3.43Å; C56-T72 HydrophobicContact CB-CG2 3.81Å; C56-T72 PolarHBondContact N-OG1 2.86Å; C56-T72 PolarHBondContact O-N 2.89Å; C56-V83 HydrophobicContact CB-CB 4.37Å; C56-V83 HydrophobicContact CB-CG1 3.87Å; C56-C84 VanDerWaalsContact CB-CA 3.49Å; C56-C84 HydrophobicContact CB-CB 3.8Å; C56-C84 WeakPolarHBondContact CB-SG 3.38Å; C56-C84 WeakPolarHBondContact SG-CA 3.42Å; C56-C84 WeakPolarHBondContact SG-CB 3.28Å; C56-C84 CovalentContact SG-SG 2.03Å; C56-C84 PolarHBondContact SG-SG 3.15Å; C56-L87 HydrophobicContact CB-CD1 4.35Å |
| 57 | L | 96 | Very high | 92.7 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121 | 174.6 | -172.4 | 72.1 | 0 | 0 | 0 | 109.3 | F28 R41 F42 L44 V59 L69 E71 | F28-L57 HydrophobicContact CD1-CD2 4.19Å; F28-L57 HydrophobicContact CD2-CD2 3.68Å; F28-L57 HydrophobicContact CE1-CD2 4.19Å; F28-L57 HydrophobicContact CE2-CD2 3.67Å; F28-L57 HydrophobicContact CG-CD2 3.94Å; F28-L57 HydrophobicContact CZ-CD2 3.93Å; R41-L57 CarbonylContact C-O 3.55Å; R41-L57 WeakPolarHBondContact CA-O 3.26Å; F42-L57 HydrophobicContact CB-CB 4.34Å; F42-L57 PolarHBondContact N-O 2.82Å; F42-L57 PolarHBondContact O-N 2.7Å; L44-L57 HydrophobicContact CD1-CB 3.86Å; L44-L57 HydrophobicContact CD1-CD2 3.9Å; L44-L57 HydrophobicContact CD1-CG 4.41Å; L44-L57 HydrophobicContact CG-CB 4.29Å; L57-V59 HydrophobicContact CD2-CG2 3.62Å; L57-V59 HydrophobicContact CG-CG2 3.74Å; L57-L69 HydrophobicContact CD1-CB 3.82Å; L57-L69 HydrophobicContact CD1-CD1 3.62Å; L57-L69 HydrophobicContact CD1-CD2 4.1Å; L57-L69 HydrophobicContact CD1-CG 4.03Å; L57-L69 HydrophobicContact CG-CB 4.49Å; L57-E71 HydrophobicContact CD1-CB 4.03Å |
| 58 | I | 95.7 | Very high | 93 | Very high | 21 Ų | 21 | 59.7 Ų | 59.7 | 11% | 0.108 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.3 | 170.4 | -53 | -171.7 | 0 | 0 | 0 | 108 | N40 R41 F60 L69 K70 L87 | N40-I58 WeakPolarHBondContact ND2-CG2 3.32Å; N40-I58 WeakPolarHBondContact O-CA 3.36Å; R41-I58 HydrophobicContact CG-CD1 4.31Å; R41-I58 HydrophobicContact CG-CG1 4.1Å; I58-F60 HydrophobicContact CB-CE2 4.46Å; I58-F60 HydrophobicContact CG2-CE1 4.23Å; I58-F60 HydrophobicContact CG2-CE2 3.89Å; I58-F60 HydrophobicContact CG2-CZ 3.62Å; I58-L69 CarbonylContact O-C 3.54Å; I58-L69 WeakPolarHBondContact O-CA 3.27Å; I58-K70 PolarHBondContact N-O 2.76Å; I58-K70 PolarHBondContact O-N 2.97Å; I58-L87 HydrophobicContact CD1-CD1 3.73Å; I58-L87 HydrophobicContact CG1-CD1 3.85Å |
| 59 | V | 95.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 136.7 | -176.4 | -173 | 0 | 0 | 0 | 0 | 110.6 | W9 F28 N40 F42 L57 L67 Q68 | W9-V59 HydrophobicContact CE3-CG1 4.44Å; W9-V59 HydrophobicContact CH2-CB 3.6Å; W9-V59 HydrophobicContact CH2-CG1 3.44Å; W9-V59 VanDerWaalsContact CH2-CG1 3.44Å; W9-V59 HydrophobicContact CH2-CG2 4.17Å; W9-V59 HydrophobicContact CZ2-CB 4.4Å; W9-V59 HydrophobicContact CZ2-CG1 3.84Å; W9-V59 HydrophobicContact CZ3-CB 3.93Å; W9-V59 HydrophobicContact CZ3-CG1 3.77Å; W9-V59 HydrophobicContact CZ3-CG2 3.98Å; F28-V59 HydrophobicContact CE2-CG2 4.27Å; N40-V59 WeakPolarHBondContact CB-O 3.4Å; N40-V59 PolarHBondContact ND2-O 3.01Å; N40-V59 VanDerWaalsContact ND2-O 3.11Å; N40-V59 PolarHBondContact O-N 3.03Å; F42-V59 HydrophobicContact CD2-CG2 4.09Å; F42-V59 HydrophobicContact CE2-CB 4.29Å; F42-V59 HydrophobicContact CE2-CG2 4.03Å; L57-V59 HydrophobicContact CD2-CG2 3.62Å; L57-V59 HydrophobicContact CG-CG2 3.74Å; V59-L67 HydrophobicContact CG1-CB 4.37Å; V59-L67 HydrophobicContact CG1-CD1 4.37Å; V59-L67 HydrophobicContact CG1-CD2 4.24Å; V59-Q68 CarbonylContact C-O 3.51Å |
| 60 | F | 95.1 | Very high | 93.9 | Very high | 71 Ų | 71 | 45.7 Ų | 45.7 | 31% | 0.311 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 109.7 | 173.9 | -54.1 | -84.1 | 0 | 0 | 0 | 107.8 | I58 K62 Q68 K70 L93 | I58-F60 HydrophobicContact CB-CE2 4.46Å; I58-F60 HydrophobicContact CG2-CE1 4.23Å; I58-F60 HydrophobicContact CG2-CE2 3.89Å; I58-F60 HydrophobicContact CG2-CZ 3.62Å; F60-K62 HydrophobicContact CB-CD 4.38Å; F60-K62 PolarHBondContact O-N 2.89Å; F60-K62 VanDerWaalsContact O-N 3.15Å; F60-Q68 HydrophobicContact CB-CB 4.32Å; F60-Q68 PolarHBondContact N-O 2.84Å; F60-Q68 PolarHBondContact O-N 2.81Å; F60-K70 HydrophobicContact CE2-CG 4.26Å; F60-L93 HydrophobicContact CD2-CD2 4.09Å; F60-L93 HydrophobicContact CE2-CD2 4.06Å |
| 61 | E | 95 | Very high | 94.5 | Very high | 74 Ų | 74 | 37.3 Ų | 37.3 | 35% | 0.346 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 97.9 | 175.4 | -175.3 | 173.4 | 170.3 | 0 | 0 | 109.3 | R8 W9 L67 | R8-E61 VanDerWaalsContact CD-OE1 3.28Å; R8-E61 WeakPolarHBondContact CD-OE1 3.2Å; R8-E61 IonicContact CZ-OE1 2.95Å; R8-E61 IonicContact CZ-OE2 3.81Å; R8-E61 IonicContact NE-OE1 2.7Å; R8-E61 PolarHBondContact NE-OE1 2.92Å; R8-E61 IonicContact NE-OE2 2.82Å; R8-E61 PolarHBondContact NE-OE2 3.45Å; R8-E61 IonicContact NH2-OE2 3.15Å; R8-E61 PolarHBondContact NH2-OE2 2.91Å; W9-E61 HydrophobicContact CZ2-CB 4.33Å; W9-E61 VanDerWaalsContact NE1-CD 3.33Å; W9-E61 PolarHBondContact NE1-OE2 3.41Å; E61-L67 HydrophobicContact CB-CD2 3.94Å; E61-L67 HydrophobicContact CG-CD2 3.9Å |
| 62 | K | 95.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 31.3 Ų | 31.3 | 18% | 0.178 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -39.4 | -178.8 | -63.3 | -54 | -162.8 | 176.9 | 0 | 111.4 | F60 V66 Q68 W183 D185 | F60-K62 HydrophobicContact CB-CD 4.38Å; F60-K62 PolarHBondContact O-N 2.89Å; F60-K62 VanDerWaalsContact O-N 3.15Å; K62-V66 HydrophobicContact CB-CB 4.46Å; K62-V66 HydrophobicContact CB-CG1 4.33Å; K62-V66 PolarHBondContact N-O 3.45Å; K62-V66 VanDerWaalsContact N-O 3.14Å; K62-Q68 HydrophobicContact CG-CB 4.26Å; K62-Q68 HydrophobicContact CG-CG 3.97Å; K62-W183 HydrophobicContact CB-CB 4.09Å; K62-W183 HydrophobicContact CB-CD2 3.83Å; K62-W183 HydrophobicContact CB-CE3 4.34Å; K62-W183 HydrophobicContact CB-CG 3.71Å; K62-W183 HydrophobicContact CD-CG 4.26Å; K62-W183 HydrophobicContact CG-CD2 4.4Å; K62-W183 HydrophobicContact CG-CG 4.21Å; K62-W183 WeakPolarHBondContact O-CB 3.21Å; K62-D185 IonicContact NZ-OD1 3.56Å; K62-D185 PolarHBondContact NZ-OD1 3.26Å; K62-D185 IonicContact NZ-OD2 3.68Å; K62-D185 PolarHBondContact NZ-OD2 3.48Å |
| 63 | H | 95.6 | Very high | 94.8 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 20% | 0.204 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 164.6 | 174.7 | -176.2 | -105.8 | 0 | 0 | 0 | 109.5 | N65 V66 F180 G181 | H63-N65 PolarHBondContact ND1-N 3.14Å; H63-N65 PolarHBondContact O-N 2.87Å; H63-V66 HydrophobicContact CB-CB 4.13Å; H63-V66 HydrophobicContact CB-CG2 4.26Å; H63-V66 PolarHBondContact N-O 2.93Å; H63-V66 CarbonylContact O-C 3.6Å; H63-V66 PolarHBondContact O-N 2.92Å; H63-F180 PolarHBondContact CE1-O 2.79Å; H63-F180 PolarHBondContact ND1-O 2.81Å; H63-G181 WeakPolarHBondContact ND1-CA 3.5Å |
| 64 | R | 93.4 | Very high | 94.7 | Very high | 106 Ų | 106 | 35.6 Ų | 35.6 | 40% | 0.4 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.8 | 176.5 | 60.6 | 171 | -177.5 | 177.9 | 4.5 | 114 | R98 E120 | R64-R98 PolarHBondContact O-NE 2.97Å; R64-R98 PolarHBondContact O-NH2 3.33Å; R64-E120 IonicContact CZ-OE2 2.74Å; R64-E120 IonicContact NH1-OE2 3.7Å; R64-E120 PolarHBondContact NH1-OE2 3.48Å; R64-E120 IonicContact NH2-OE2 3.39Å; R64-E120 PolarHBondContact NH2-OE2 3.46Å |
| 65 | N | 93.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 0.1 | 180 | -58.4 | -30.7 | 0 | 0 | 0 | 113.7 | H63 F97 R98 E120 F180 | H63-N65 PolarHBondContact ND1-N 3.14Å; H63-N65 PolarHBondContact O-N 2.87Å; N65-F97 WeakPolarHBondContact O-CA 2.94Å; N65-R98 HydrophobicContact CB-CB 4.18Å; N65-R98 PolarHBondContact O-N 3.15Å; N65-R98 WeakPolarHBondContact OD1-CD 3.35Å; N65-E120 PolarHBondContact ND2-O 2.72Å; N65-F180 HydrophobicContact CB-CB 4.34Å; N65-F180 WeakPolarHBondContact CB-O 3.33Å; N65-F180 PolarHBondContact ND2-O 2.88Å |
| 66 | V | 94.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 114.6 | -174.6 | -172 | 0 | 0 | 0 | 0 | 110.2 | K62 H63 T95 L96 F97 W183 A192 | K62-V66 HydrophobicContact CB-CB 4.46Å; K62-V66 HydrophobicContact CB-CG1 4.33Å; K62-V66 PolarHBondContact N-O 3.45Å; K62-V66 VanDerWaalsContact N-O 3.14Å; H63-V66 HydrophobicContact CB-CB 4.13Å; H63-V66 HydrophobicContact CB-CG2 4.26Å; H63-V66 PolarHBondContact N-O 2.93Å; H63-V66 CarbonylContact O-C 3.6Å; H63-V66 PolarHBondContact O-N 2.92Å; V66-T95 HydrophobicContact CG1-CG2 4Å; V66-L96 WeakPolarHBondContact CA-O 3.5Å; V66-F97 HydrophobicContact CG2-CD1 4.23Å; V66-F97 HydrophobicContact CG2-CE1 4.4Å; V66-W183 HydrophobicContact CB-CZ3 4.33Å; V66-W183 HydrophobicContact CG1-CH2 4.04Å; V66-W183 HydrophobicContact CG1-CZ3 4.03Å; V66-W183 HydrophobicContact CG2-CZ3 4.03Å; V66-A192 HydrophobicContact CG2-CB 3.66Å |
| 67 | L | 95.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 145.3 | 167.2 | -59.2 | 176.6 | 0 | 0 | 0 | 108.8 | W9 W13 I23 V59 E61 L96 | W9-L67 HydrophobicContact CD2-CD1 4.13Å; W9-L67 HydrophobicContact CD2-CD2 4.47Å; W9-L67 HydrophobicContact CG-CD1 4.1Å; W9-L67 HydrophobicContact CZ2-CD2 4.5Å; W13-L67 HydrophobicContact CD2-CD1 4.36Å; W13-L67 HydrophobicContact CE3-CD1 4.3Å; W13-L67 HydrophobicContact CE3-CG 4.33Å; W13-L67 HydrophobicContact CH2-CD1 3.67Å; W13-L67 HydrophobicContact CH2-CD2 4.25Å; W13-L67 HydrophobicContact CH2-CG 3.47Å; W13-L67 VanDerWaalsContact CH2-CG 3.47Å; W13-L67 HydrophobicContact CZ2-CD1 3.68Å; W13-L67 HydrophobicContact CZ2-CG 4.02Å; W13-L67 HydrophobicContact CZ3-CB 4.25Å; W13-L67 HydrophobicContact CZ3-CD1 3.99Å; W13-L67 HydrophobicContact CZ3-CG 3.64Å; I23-L67 HydrophobicContact CD1-CD1 4.31Å; V59-L67 HydrophobicContact CG1-CB 4.37Å; V59-L67 HydrophobicContact CG1-CD1 4.37Å; V59-L67 HydrophobicContact CG1-CD2 4.24Å; E61-L67 HydrophobicContact CB-CD2 3.94Å; E61-L67 HydrophobicContact CG-CD2 3.9Å; L67-L96 HydrophobicContact CB-CB 4.2Å; L67-L96 HydrophobicContact CB-CD1 4.27Å; L67-L96 HydrophobicContact CB-CG 4.48Å; L67-L96 HydrophobicContact CD1-CD1 4.45Å; L67-L96 PolarHBondContact N-O 2.85Å; L67-L96 PolarHBondContact O-N 3.18Å |
| 68 | Q | 94.5 | Very high | 94.2 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 144.9 | 163 | -72.2 | -174.2 | -36.8 | 0 | 0 | 109 | V59 F60 K62 L93 I94 T95 | V59-Q68 CarbonylContact C-O 3.51Å; F60-Q68 HydrophobicContact CB-CB 4.32Å; F60-Q68 PolarHBondContact N-O 2.84Å; F60-Q68 PolarHBondContact O-N 2.81Å; K62-Q68 HydrophobicContact CG-CB 4.26Å; K62-Q68 HydrophobicContact CG-CG 3.97Å; Q68-L93 HydrophobicContact CB-CD2 4.34Å; Q68-I94 CarbonylContact C-O 3.52Å; Q68-I94 VanDerWaalsContact CA-O 3.26Å; Q68-I94 WeakPolarHBondContact CA-O 3.4Å; Q68-T95 HydrophobicContact CG-CG2 4.35Å; Q68-T95 PolarHBondContact NE2-OG1 2.92Å |
| 69 | L | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 150.9 | 179.9 | 61 | 91.2 | 0 | 0 | 0 | 112.1 | F28 L57 I58 E71 L93 I94 L96 | F28-L69 HydrophobicContact CE1-CD2 4.01Å; F28-L69 HydrophobicContact CZ-CD2 4Å; L57-L69 HydrophobicContact CD1-CB 3.82Å; L57-L69 HydrophobicContact CD1-CD1 3.62Å; L57-L69 HydrophobicContact CD1-CD2 4.1Å; L57-L69 HydrophobicContact CD1-CG 4.03Å; L57-L69 HydrophobicContact CG-CB 4.49Å; I58-L69 CarbonylContact O-C 3.54Å; I58-L69 WeakPolarHBondContact O-CA 3.27Å; L69-E71 HydrophobicContact CD1-CB 4.35Å; L69-E71 HydrophobicContact CD1-CG 4.43Å; L69-L93 WeakPolarHBondContact O-CA 3.49Å; L69-I94 HydrophobicContact CD1-CB 3.46Å; L69-I94 VanDerWaalsContact CD1-CB 3.46Å; L69-I94 HydrophobicContact CD1-CD1 3.53Å; L69-I94 HydrophobicContact CD1-CG1 4.05Å; L69-I94 HydrophobicContact CD1-CG2 3.71Å; L69-I94 HydrophobicContact CD2-CG2 4.12Å; L69-I94 HydrophobicContact CG-CB 3.76Å; L69-I94 HydrophobicContact CG-CG2 3.81Å; L69-I94 PolarHBondContact N-O 2.01Å; L69-I94 PolarHBondContact O-N 3.44Å; L69-L96 HydrophobicContact CD2-CD1 3.49Å; L69-L96 VanDerWaalsContact CD2-CD1 3.49Å; L69-L96 HydrophobicContact CD2-CD2 4.08Å; L69-L96 HydrophobicContact CD2-CG 3.77Å |
| 70 | K | 93.9 | Very high | 94.1 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 21% | 0.213 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 139.3 | 160.4 | -63.5 | -169.2 | 173.3 | -156.7 | 0 | 108.2 | I58 F60 L87 G89 S91 L93 | I58-K70 PolarHBondContact N-O 2.76Å; I58-K70 PolarHBondContact O-N 2.97Å; F60-K70 HydrophobicContact CE2-CG 4.26Å; K70-L87 HydrophobicContact CB-CD2 3.58Å; K70-L87 HydrophobicContact CD-CD2 4.45Å; K70-G89 PolarHBondContact NZ-O 2.94Å; K70-G89 VanDerWaalsContact NZ-O 3.1Å; K70-S91 WeakPolarHBondContact CE-O 3.49Å; K70-S91 PolarHBondContact NZ-O 2.93Å; K70-S91 VanDerWaalsContact NZ-O 3.1Å; K70-L93 HydrophobicContact CD-CD2 4.39Å; K70-L93 HydrophobicContact CG-CD2 3.67Å |
| 71 | E | 93.7 | Very high | 94.1 | Very high | 73 Ų | 73 | 45.7 Ų | 45.7 | 34% | 0.341 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.2 | 178.3 | 65.8 | -170.9 | -167.6 | 0 | 0 | 111.2 | R31 C56 L57 L69 I94 | R31-E71 IonicContact CZ-OE2 3.51Å; R31-E71 IonicContact NE-OE2 2.93Å; R31-E71 PolarHBondContact NE-OE2 2.88Å; R31-E71 IonicContact NH2-OE2 2.73Å; C56-E71 WeakPolarHBondContact O-CA 3.43Å; L57-E71 HydrophobicContact CD1-CB 4.03Å; L69-E71 HydrophobicContact CD1-CB 4.35Å; L69-E71 HydrophobicContact CD1-CG 4.43Å; E71-I94 VanDerWaalsContact CD-CD1 3.47Å; E71-I94 HydrophobicContact CG-CD1 3.84Å; E71-I94 WeakPolarHBondContact OE1-CD1 3.3Å |
| 72 | T | 94.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 154.3 | 168.7 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | T55 C56 V83 R86 L87 | T55-T72 VanDerWaalsContact CA-OG1 3.32Å; T55-T72 WeakPolarHBondContact CA-OG1 3.44Å; C56-T72 HydrophobicContact CB-CG2 3.81Å; C56-T72 PolarHBondContact N-OG1 2.86Å; C56-T72 PolarHBondContact O-N 2.89Å; T72-V83 WeakPolarHBondContact CG2-O 3.48Å; T72-R86 HydrophobicContact CG2-CB 4.13Å; T72-L87 HydrophobicContact CG2-CB 4.29Å; T72-L87 HydrophobicContact CG2-CD1 3.73Å; T72-L87 HydrophobicContact CG2-CG 3.52Å |
| 73 | P | 91.5 | Very high | 94.2 | Very high | 97 Ų | 97 | 45.7 Ų | 45.7 | 63% | 0.63 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 156.2 | 163.4 | 27.2 | -34.4 | 0 | 0 | 0 | 110.9 | G75 | P73-G75 PolarHBondContact O-N 3.29Š|
| 74 | C | 92.3 | Very high | 94.2 | Very high | 75 Ų | 75 | 43.9 Ų | 43.9 | 51% | 0.507 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -54.4 | 125.4 | 173.5 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | C53 | C53-C74 HydrophobicContact CB-CB 4.45Å; C53-C74 WeakPolarHBondContact CB-SG 3.42Å; C53-C74 WeakPolarHBondContact SG-CA 3.29Å; C53-C74 WeakPolarHBondContact SG-CB 3.27Å; C53-C74 CovalentContact SG-SG 2.01Å; C53-C74 PolarHBondContact SG-SG 2.81Å |
| 75 | G | 93 | Very high | 94.2 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -143.3 | -172.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | W54 P73 | W54-G75 PolarHBondContact N-O 2.8Å; W54-G75 PolarHBondContact O-N 2.85Å; P73-G75 PolarHBondContact O-N 3.29Å |
| 76 | T | 93 | Very high | 94.2 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | trans | -71.8 | 156 | 177 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | R86 | T76-R86 PolarHBondContact O-NH1 2.94Å; T76-R86 PolarHBondContact O-NH2 3.22Å; T76-R86 PolarHBondContact OG1-NH2 2.94Å; T76-R86 VanDerWaalsContact OG1-NH2 3.15Å | ||
| 77 | A | 94.2 | Very high | 94 | Very high | 61 Ų | 61 | 49.6 Ų | 49.6 | 50% | 0.504 | 28% | 0.282 | S | S | . | . | trans | -52.5 | 149.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | W54 | W54-A77 HydrophobicContact CD2-CB 3.96Å; W54-A77 HydrophobicContact CG-CB 4.11Å; W54-A77 HydrophobicContact CZ2-CB 4.07Å | ||
| 78 | G | 93.1 | Very high | 93.4 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 22% | 0.216 | 31% | 0.311 | C | S | . | . | trans | 178.9 | 173 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L43 E82 | L43-G78 WeakPolarHBondContact CD2-O 3.22Å; G78-E82 WeakPolarHBondContact CA-OE2 3.28Å | ||
| 79 | S | 94.8 | Very high | 92.6 | Very high | 51 Ų | 51 | 58 Ų | 58 | 36% | 0.357 | 34% | 0.344 | S | S | . | . | trans | -64.9 | 161.4 | 171.4 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | E81 E82 V83 | S79-E81 PolarHBondContact O-N 3.17Å; S79-E82 PolarHBondContact N-OE2 3.32Å; S79-E82 PolarHBondContact O-N 3.32Å; S79-E82 VanDerWaalsContact OG-CG 3.25Å; S79-E82 WeakPolarHBondContact OG-CG 3.46Å; S79-E82 PolarHBondContact OG-N 2.88Å; S79-E82 PolarHBondContact OG-OE2 2.74Å; S79-V83 WeakPolarHBondContact O-CG2 3.48Å; S79-V83 PolarHBondContact O-N 2.89Å | ||
| 80 | L | 95.6 | Very high | 92 | Very high | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.037 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -51.4 | -42 | 175.3 | 177.6 | 69 | 0 | 0 | 0 | 111.8 | E36 L38 R41 L43 C84 | E36-L80 HydrophobicContact CB-CB 4.44Å; E36-L80 HydrophobicContact CG-CB 4.31Å; E36-L80 HydrophobicContact CG-CD2 4.5Å; E36-L80 PolarHBondContact OE2-N 2.83Å; L38-L80 HydrophobicContact CB-CD2 3.35Å; R41-L80 HydrophobicContact CB-CD1 4.19Å; R41-L80 HydrophobicContact CB-CD2 4.33Å; L43-L80 HydrophobicContact CB-CB 4.41Å; L43-L80 HydrophobicContact CB-CD1 3.72Å; L80-C84 VanDerWaalsContact CD1-SG 3.58Å; L80-C84 WeakPolarHBondContact O-CB 3.23Å; L80-C84 PolarHBondContact O-N 2.97Å; L80-C84 PolarHBondContact O-SG 2.96Å |
| 81 | E | 95 | Very high | 91.6 | Very high | 139 Ų | 139 | 62.8 Ų | 62.8 | 65% | 0.65 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.4 | -46.7 | -178.4 | -167.1 | 163.8 | -164.8 | 0 | 0 | 112.2 | S79 V83 C84 N85 | S79-E81 PolarHBondContact O-N 3.17Å; E81-V83 PolarHBondContact O-N 3.39Å; E81-C84 PolarHBondContact O-N 3.4Å; E81-N85 WeakPolarHBondContact O-CB 3.47Å; E81-N85 PolarHBondContact O-N 3.2Å; E81-N85 PolarHBondContact O-ND2 3.01Å |
| 82 | E | 95.7 | Very high | 91.2 | Very high | 114 Ų | 114 | 65.8 Ų | 65.8 | 53% | 0.533 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 177.3 | -73.4 | 167.7 | 160.2 | 0 | 0 | 112.4 | G78 S79 | G78-E82 WeakPolarHBondContact CA-OE2 3.28Å; S79-E82 PolarHBondContact N-OE2 3.32Å; S79-E82 PolarHBondContact O-N 3.32Å; S79-E82 VanDerWaalsContact OG-CG 3.25Å; S79-E82 WeakPolarHBondContact OG-CG 3.46Å; S79-E82 PolarHBondContact OG-N 2.88Å; S79-E82 PolarHBondContact OG-OE2 2.74Å |
| 83 | V | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.8 | -46.2 | 179.7 | -177.4 | 0 | 0 | 0 | 0 | 110 | L43 C56 T72 S79 E81 N85 R86 | L43-V83 HydrophobicContact CD1-CB 3.79Å; L43-V83 HydrophobicContact CD1-CG1 4.01Å; L43-V83 HydrophobicContact CD1-CG2 3.78Å; C56-V83 HydrophobicContact CB-CB 4.37Å; C56-V83 HydrophobicContact CB-CG1 3.87Å; T72-V83 WeakPolarHBondContact CG2-O 3.48Å; S79-V83 WeakPolarHBondContact O-CG2 3.48Å; S79-V83 PolarHBondContact O-N 2.89Å; E81-V83 PolarHBondContact O-N 3.39Å; V83-N85 PolarHBondContact O-N 3Å; V83-R86 VanDerWaalsContact O-CB 3.25Å; V83-R86 WeakPolarHBondContact O-CB 3.33Å; V83-R86 WeakPolarHBondContact O-CG 3.38Å; V83-R86 PolarHBondContact O-N 2.77Å |
| 84 | C | 95.3 | Very high | 91 | Very high | 6 Ų | 6 | 64.4 Ų | 64.4 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.1 | -26.6 | 178.9 | -66.3 | 0 | 0 | 0 | 0 | 113.6 | C56 L80 E81 R86 L87 | C56-C84 VanDerWaalsContact CB-CA 3.49Å; C56-C84 HydrophobicContact CB-CB 3.8Å; C56-C84 WeakPolarHBondContact CB-SG 3.38Å; C56-C84 WeakPolarHBondContact SG-CA 3.42Å; C56-C84 WeakPolarHBondContact SG-CB 3.28Å; C56-C84 CovalentContact SG-SG 2.03Å; C56-C84 PolarHBondContact SG-SG 3.15Å; L80-C84 VanDerWaalsContact CD1-SG 3.58Å; L80-C84 WeakPolarHBondContact O-CB 3.23Å; L80-C84 PolarHBondContact O-N 2.97Å; L80-C84 PolarHBondContact O-SG 2.96Å; E81-C84 PolarHBondContact O-N 3.4Å; C84-R86 PolarHBondContact O-N 2.86Å; C84-L87 WeakPolarHBondContact O-CB 3.14Å; C84-L87 PolarHBondContact O-N 2.63Å; C84-L87 VanDerWaalsContact O-N 3.13Å |
| 85 | N | 93.5 | Very high | 91.1 | Very high | 114 Ų | 114 | 60.9 Ų | 60.9 | 61% | 0.61 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.7 | 174.5 | -73.8 | -19.2 | 0 | 0 | 0 | 113.4 | E81 V83 L87 | E81-N85 WeakPolarHBondContact O-CB 3.47Å; E81-N85 PolarHBondContact O-N 3.2Å; E81-N85 PolarHBondContact O-ND2 3.01Å; V83-N85 PolarHBondContact O-N 3Å; N85-L87 VanDerWaalsContact C-N 3.28Å |
| 86 | R | 94 | Very high | 91.1 | Very high | 85 Ų | 85 | 59.8 Ų | 59.8 | 32% | 0.321 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -11.2 | 172 | -55 | 171.7 | -173.5 | 165.3 | -0 | 112.9 | T72 T76 V83 C84 L88 | T72-R86 HydrophobicContact CG2-CB 4.13Å; T76-R86 PolarHBondContact O-NH1 2.94Å; T76-R86 PolarHBondContact O-NH2 3.22Å; T76-R86 PolarHBondContact OG1-NH2 2.94Å; T76-R86 VanDerWaalsContact OG1-NH2 3.15Å; V83-R86 VanDerWaalsContact O-CB 3.25Å; V83-R86 WeakPolarHBondContact O-CB 3.33Å; V83-R86 WeakPolarHBondContact O-CG 3.38Å; V83-R86 PolarHBondContact O-N 2.77Å; C84-R86 PolarHBondContact O-N 2.86Å; R86-L88 PolarHBondContact O-N 3.41Å |
| 87 | L | 90.8 | Very high | 91.1 | Very high | 30 Ų | 30 | 56.3 Ų | 56.3 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | trans | -67.4 | 119.2 | 175.2 | -94.2 | 140.4 | 0 | 0 | 0 | 109.4 | C56 I58 K70 T72 C84 N85 | C56-L87 HydrophobicContact CB-CD1 4.35Å; I58-L87 HydrophobicContact CD1-CD1 3.73Å; I58-L87 HydrophobicContact CG1-CD1 3.85Å; K70-L87 HydrophobicContact CB-CD2 3.58Å; K70-L87 HydrophobicContact CD-CD2 4.45Å; T72-L87 HydrophobicContact CG2-CB 4.29Å; T72-L87 HydrophobicContact CG2-CD1 3.73Å; T72-L87 HydrophobicContact CG2-CG 3.52Å; C84-L87 WeakPolarHBondContact O-CB 3.14Å; C84-L87 PolarHBondContact O-N 2.63Å; C84-L87 VanDerWaalsContact O-N 3.13Å; N85-L87 VanDerWaalsContact C-N 3.28Å | ||
| 88 | L | 83.8 | Confident | 91 | Very high | 117 Ų | 117 | 53.7 Ų | 53.7 | 61% | 0.613 | 30% | 0.295 | S | S | * | . | trans | -71.2 | 143.9 | 171.5 | -54.3 | 174.8 | 0 | 0 | 0 | 109.2 | R86 D90 S91 | R86-L88 PolarHBondContact O-N 3.41Å; L88-D90 WeakPolarHBondContact CB-OD1 3.4Å; L88-D90 PolarHBondContact O-N 2.77Å; L88-S91 PolarHBondContact N-OG 3.01Å; L88-S91 VanDerWaalsContact O-CB 3.26Å; L88-S91 WeakPolarHBondContact O-CB 3.21Å; L88-S91 PolarHBondContact O-N 3.48Å; L88-S91 PolarHBondContact O-OG 3.28Å | ||
| 89 | G | 77.2 | Confident | 90.4 | Very high | 75 Ų | 75 | 52.8 Ų | 52.8 | 77% | 0.773 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -33.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | K70 S91 | K70-G89 PolarHBondContact NZ-O 2.94Å; K70-G89 VanDerWaalsContact NZ-O 3.1Å; G89-S91 VanDerWaalsContact C-N 3.31Å; G89-S91 PolarHBondContact O-N 3.03Å |
| 90 | D | 81.1 | Confident | 89.1 | Confident | 125 Ų | 125 | 56.3 Ų | 56.3 | 67% | 0.668 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 2.9 | 177.8 | 64 | -17.3 | 0 | 0 | 0 | 114.1 | L88 H92 | L88-D90 WeakPolarHBondContact CB-OD1 3.4Å; L88-D90 PolarHBondContact O-N 2.77Å; D90-H92 PolarHBondContact O-N 3.07Å |
| 91 | S | 84.8 | Confident | 87.1 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 126.9 | 175.7 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | K70 L88 G89 | K70-S91 WeakPolarHBondContact CE-O 3.49Å; K70-S91 PolarHBondContact NZ-O 2.93Å; K70-S91 VanDerWaalsContact NZ-O 3.1Å; L88-S91 PolarHBondContact N-OG 3.01Å; L88-S91 VanDerWaalsContact O-CB 3.26Å; L88-S91 WeakPolarHBondContact O-CB 3.21Å; L88-S91 PolarHBondContact O-N 3.48Å; L88-S91 PolarHBondContact O-OG 3.28Å; G89-S91 VanDerWaalsContact C-N 3.31Å; G89-S91 PolarHBondContact O-N 3.03Å |
| 92 | H | 86.2 | Confident | 84.6 | Confident | 135 Ų | 135 | 59.3 Ų | 59.3 | 63% | 0.625 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 149.6 | -179 | -61.3 | -75.4 | 0 | 0 | 0 | 112 | D90 I230 | D90-H92 PolarHBondContact O-N 3.07Å; H92-I230 HydrophobicContact CB-CG2 4.18Å |
| 93 | L | 90.6 | Very high | 81.9 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 129.2 | 170.8 | -72.1 | 167 | 0 | 0 | 0 | 109.5 | F60 Q68 L69 K70 | F60-L93 HydrophobicContact CD2-CD2 4.09Å; F60-L93 HydrophobicContact CE2-CD2 4.06Å; Q68-L93 HydrophobicContact CB-CD2 4.34Å; L69-L93 WeakPolarHBondContact O-CA 3.49Å; K70-L93 HydrophobicContact CD-CD2 4.39Å; K70-L93 HydrophobicContact CG-CD2 3.67Å |
| 94 | I | 92.1 | Very high | 79.1 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 11% | 0.108 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.3 | 170.3 | -72.2 | 161.1 | 0 | 0 | 0 | 107.6 | H15 Q68 L69 E71 L96 | H15-I94 WeakPolarHBondContact NE2-CG2 3.32Å; Q68-I94 CarbonylContact C-O 3.52Å; Q68-I94 VanDerWaalsContact CA-O 3.26Å; Q68-I94 WeakPolarHBondContact CA-O 3.4Å; L69-I94 HydrophobicContact CD1-CB 3.46Å; L69-I94 VanDerWaalsContact CD1-CB 3.46Å; L69-I94 HydrophobicContact CD1-CD1 3.53Å; L69-I94 HydrophobicContact CD1-CG1 4.05Å; L69-I94 HydrophobicContact CD1-CG2 3.71Å; L69-I94 HydrophobicContact CD2-CG2 4.12Å; L69-I94 HydrophobicContact CG-CB 3.76Å; L69-I94 HydrophobicContact CG-CG2 3.81Å; L69-I94 PolarHBondContact N-O 2.01Å; L69-I94 PolarHBondContact O-N 3.44Å; E71-I94 VanDerWaalsContact CD-CD1 3.47Å; E71-I94 HydrophobicContact CG-CD1 3.84Å; E71-I94 WeakPolarHBondContact OE1-CD1 3.3Å; I94-L96 HydrophobicContact CG2-CD2 3.9Å |
| 95 | T | 93.6 | Very high | 76.4 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.5 | 178.6 | -55 | 0 | 0 | 0 | 0 | 110 | H15 V66 Q68 F97 G228 | H15-T95 PolarHBondContact CD2-O 3.31Å; H15-T95 VanDerWaalsContact CD2-O 3.32Å; V66-T95 HydrophobicContact CG1-CG2 4Å; Q68-T95 HydrophobicContact CG-CG2 4.35Å; Q68-T95 PolarHBondContact NE2-OG1 2.92Å; T95-F97 HydrophobicContact CG2-CE1 4.01Å; T95-F97 HydrophobicContact CG2-CE2 4.18Å; T95-F97 HydrophobicContact CG2-CZ 3.73Å; T95-G228 PolarHBondContact OG1-O 2.92Å |
| 96 | L | 93.6 | Very high | 74 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.9 | 174.8 | -50.4 | -177.9 | 0 | 0 | 0 | 110.3 | W13 Y14 H15 F21 F28 V66 L67 L69 I94 | W13-L96 HydrophobicContact CE3-CB 3.76Å; W13-L96 HydrophobicContact CZ3-CB 4.42Å; Y14-L96 VanDerWaalsContact O-CA 3.26Å; Y14-L96 WeakPolarHBondContact O-CA 3.11Å; H15-L96 HydrophobicContact CB-CD2 3.64Å; F21-L96 HydrophobicContact CE1-CD2 4.11Å; F21-L96 HydrophobicContact CE2-CD1 4.42Å; F21-L96 HydrophobicContact CZ-CD1 3.78Å; F21-L96 HydrophobicContact CZ-CD2 3.78Å; F21-L96 HydrophobicContact CZ-CG 4.38Å; F28-L96 HydrophobicContact CE1-CD1 3.7Å; F28-L96 HydrophobicContact CZ-CD1 3.64Å; V66-L96 WeakPolarHBondContact CA-O 3.5Å; L67-L96 HydrophobicContact CB-CB 4.2Å; L67-L96 HydrophobicContact CB-CD1 4.27Å; L67-L96 HydrophobicContact CB-CG 4.48Å; L67-L96 HydrophobicContact CD1-CD1 4.45Å; L67-L96 PolarHBondContact N-O 2.85Å; L67-L96 PolarHBondContact O-N 3.18Å; L69-L96 HydrophobicContact CD2-CD1 3.49Å; L69-L96 VanDerWaalsContact CD2-CD1 3.49Å; L69-L96 HydrophobicContact CD2-CD2 4.08Å; L69-L96 HydrophobicContact CD2-CG 3.77Å; I94-L96 HydrophobicContact CG2-CD2 3.9Å |
| 97 | F | 92.9 | Very high | 71.3 | Confident | 3 Ų | 3 | 76.5 Ų | 76.5 | 1% | 0.013 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.6 | 170.5 | -57.7 | -72.4 | 0 | 0 | 0 | 110.3 | W13 Y14 N65 V66 T95 A192 F207 S227 | W13-F97 CarbonylContact C-O 3.56Å; W13-F97 VanDerWaalsContact CA-O 3.32Å; W13-F97 WeakPolarHBondContact CA-O 3.45Å; W13-F97 VanDerWaalsContact CE3-C 3.46Å; Y14-F97 WeakPolarHBondContact CD2-O 3.39Å; Y14-F97 PolarHBondContact N-O 3Å; Y14-F97 PolarHBondContact O-N 3.31Å; N65-F97 WeakPolarHBondContact O-CA 2.94Å; V66-F97 HydrophobicContact CG2-CD1 4.23Å; V66-F97 HydrophobicContact CG2-CE1 4.4Å; T95-F97 HydrophobicContact CG2-CE1 4.01Å; T95-F97 HydrophobicContact CG2-CE2 4.18Å; T95-F97 HydrophobicContact CG2-CZ 3.73Å; F97-A192 HydrophobicContact CD1-CB 4.11Å; F97-A192 HydrophobicContact CE1-CB 3.58Å; F97-F207 HydrophobicContact CB-CD1 4.21Å; F97-F207 HydrophobicContact CB-CD2 4.46Å; F97-F207 HydrophobicContact CB-CE1 4.14Å; F97-F207 HydrophobicContact CB-CE2 4.4Å; F97-F207 HydrophobicContact CB-CG 4.37Å; F97-F207 HydrophobicContact CB-CZ 4.24Å; F97-F207 AromaticContact CD1-CD1 3.87Å; F97-F207 HydrophobicContact CD1-CD1 3.87Å; F97-F207 HydrophobicContact CD1-CE1 4.28Å; F97-F207 HydrophobicContact CD1-CG 4.4Å; F97-F207 HydrophobicContact CD2-CB 3.73Å; F97-F207 HydrophobicContact CD2-CD1 4.11Å; F97-F207 HydrophobicContact CD2-CD2 4.3Å; F97-F207 AromaticContact CD2-CG 3.8Å; F97-F207 HydrophobicContact CD2-CG 3.8Å; F97-F207 HydrophobicContact CE1-CD1 4.29Å; F97-F207 HydrophobicContact CE2-CB 3.62Å; F97-F207 HydrophobicContact CE2-CD1 4.47Å; F97-F207 HydrophobicContact CE2-CG 4.17Å; F97-F207 HydrophobicContact CG-CB 4.28Å; F97-F207 AromaticContact CG-CD1 3.77Å; F97-F207 HydrophobicContact CG-CD1 3.77Å; F97-F207 HydrophobicContact CG-CD2 4.43Å; F97-F207 HydrophobicContact CG-CE1 4.17Å; F97-F207 AromaticContact CG-CG 3.92Å; F97-F207 HydrophobicContact CG-CG 3.92Å; F97-F207 HydrophobicContact CZ-CB 4.12Å; F97-S227 VanDerWaalsContact CE2-O 3.22Å; F97-S227 WeakPolarHBondContact CE2-O 2.96Å |
| 98 | R | 91.1 | Very high | 68.5 | Low | 6 Ų | 6 | 83.5 Ų | 83.5 | 2% | 0.023 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 144.2 | 178.5 | -179 | 177.5 | -73.2 | -84.7 | -2.1 | 112.1 | R8 H10 W13 R64 N65 V117 A119 | R8-R98 PolarHBondContact O-NH2 2.91Å; H10-R98 PolarHBondContact O-NH1 3.13Å; W13-R98 HydrophobicContact CD2-CB 4.49Å; W13-R98 HydrophobicContact CE3-CB 4.13Å; W13-R98 HydrophobicContact CH2-CB 4.12Å; W13-R98 HydrophobicContact CZ3-CB 3.92Å; R64-R98 PolarHBondContact O-NE 2.97Å; R64-R98 PolarHBondContact O-NH2 3.33Å; N65-R98 HydrophobicContact CB-CB 4.18Å; N65-R98 PolarHBondContact O-N 3.15Å; N65-R98 WeakPolarHBondContact OD1-CD 3.35Å; R98-V117 VanDerWaalsContact CD-O 3.31Å; R98-V117 WeakPolarHBondContact CD-O 3.3Å; R98-V117 PolarHBondContact NH1-O 3.06Å; R98-A119 HydrophobicContact CB-CB 3.95Å; R98-A119 HydrophobicContact CG-CB 4.03Å; R98-A119 WeakPolarHBondContact O-CB 3.26Å |
| 99 | G | 80.6 | Confident | 65.9 | Low | 3 Ų | 3 | 85.8 Ų | 85.8 | 3% | 0.031 | 46% | 0.46 | C | S | . | . | trans | -45.6 | 135.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E12 A119 | E12-G99 WeakPolarHBondContact O-CA 3.18Å; E12-G99 PolarHBondContact O-N 2.79Å; G99-A119 WeakPolarHBondContact O-CB 3.11Å; G99-A119 PolarHBondContact O-N 3.38Å | ||
| 100 | Y | 68 | Low | 63.9 | Low | 124 Ų | 124 | 89.9 Ų | 89.9 | 49% | 0.486 | 46% | 0.462 | S | S | . | . | trans | -127.2 | 118.7 | 160.6 | -174.9 | -91.5 | 0 | 0 | 0 | 109.1 | A102 N118 | Y100-A102 HydrophobicContact CD1-CB 4.48Å; Y100-A102 HydrophobicContact CE1-CB 4.04Å; Y100-N118 HydrophobicContact CD2-CB 3.88Å; Y100-N118 HydrophobicContact CE2-CB 4.13Å | ||
| 101 | Y | 52.7 | Low | 61.6 | Low | 136 Ų | 136 | 92.8 Ų | 92.8 | 53% | 0.533 | 47% | 0.472 | S | S | . | . | trans | -88.3 | 114.7 | 164.2 | -105.7 | -92.2 | 0 | 0 | 0 | 108.9 | E12 V103 N118 | E12-Y101 WeakPolarHBondContact OE2-CD2 3.46Å; E12-Y101 WeakPolarHBondContact OE2-CE2 3.37Å; Y101-V103 PolarHBondContact O-N 2.92Å; Y101-V103 VanDerWaalsContact O-N 3.11Å; Y101-N118 PolarHBondContact N-OD1 3.46Å; Y101-N118 VanDerWaalsContact N-OD1 3.08Å; Y101-N118 PolarHBondContact O-ND2 3.49Å | ||
| 102 | A | 43 | Very low | 59.1 | Low | 73 Ų | 73 | 97.1 Ų | 97.1 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | trans | -69.7 | 101.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | Y100 S104 | Y100-A102 HydrophobicContact CD1-CB 4.48Å; Y100-A102 HydrophobicContact CE1-CB 4.04Å; A102-S104 VanDerWaalsContact C-N 3.3Å; A102-S104 PolarHBondContact O-N 2.9Å | ||
| 103 | V | 38.7 | Very low | 56.4 | Low | 105 Ų | 105 | 99.6 Ų | 99.6 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | trans | -65.8 | 100.7 | 165.3 | -173.5 | 0 | 0 | 0 | 0 | 105.2 | Y101 N105 | Y101-V103 PolarHBondContact O-N 2.92Å; Y101-V103 VanDerWaalsContact O-N 3.11Å; V103-N105 PolarHBondContact O-N 2.97Å | ||
| 104 | S | 37.3 | Very low | 53.9 | Low | 91 Ų | 91 | 105.9 Ų | 105.9 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | trans | -59.5 | 123 | 167.4 | 50.6 | 0 | 0 | 0 | 0 | 106.9 | A102 D106 | A102-S104 VanDerWaalsContact C-N 3.3Å; A102-S104 PolarHBondContact O-N 2.9Å; S104-D106 PolarHBondContact O-N 2.78Å | ||
| 105 | N | 38 | Very low | 51.6 | Low | 153 Ų | 153 | 115.2 Ų | 115.2 | 82% | 0.818 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 20.2 | -174.6 | -73.7 | -21.7 | 0 | 0 | 0 | 115.1 | V103 F107 | V103-N105 PolarHBondContact O-N 2.97Å; N105-F107 VanDerWaalsContact C-N 3.34Å; N105-F107 PolarHBondContact O-N 2.62Å |
| 106 | D | 44.2 | Very low | 49.4 | Very low | 148 Ų | 148 | 118.9 Ų | 118.9 | 79% | 0.791 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -7.2 | -179.6 | -85.7 | -12.9 | 0 | 0 | 0 | 114.3 | S104 | S104-D106 PolarHBondContact O-N 2.78Š|
| 107 | F | 36.9 | Very low | 47.6 | Very low | 183 Ų | 183 | 122.3 Ų | 122.3 | 80% | 0.803 | 61% | 0.613 | S | S | * | * | trans | -139.5 | 80.9 | 172.1 | -105.2 | -93.3 | 0 | 0 | 0 | 111.7 | N105 Q109 | N105-F107 VanDerWaalsContact C-N 3.34Å; N105-F107 PolarHBondContact O-N 2.62Å; F107-Q109 VanDerWaalsContact C-N 3.3Å; F107-Q109 PolarHBondContact O-N 2.91Å; F107-Q109 VanDerWaalsContact O-N 3.14Å | ||
| 108 | M | 32.3 | Very low | 46.6 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 87% | 0.872 | 62% | 0.624 | S | S | * | * | trans | -77.9 | 84.9 | 160.3 | -174 | 174.2 | 69.2 | 0 | 0 | 108.6 | ||||
| 109 | Q | 29.6 | Very low | 46.1 | Very low | 166 Ų | 166 | 124.1 Ų | 124.1 | 78% | 0.776 | 62% | 0.624 | S | S | * | * | trans | 173.6 | 110.2 | 147.5 | -99.4 | -178.8 | 71.4 | 0 | 0 | 108.6 | F107 | F107-Q109 VanDerWaalsContact C-N 3.3Å; F107-Q109 PolarHBondContact O-N 2.91Å; F107-Q109 VanDerWaalsContact O-N 3.14Å | ||
| 110 | I | 34.9 | Very low | 46.4 | Very low | 160 Ų | 160 | 128.8 Ų | 128.8 | 82% | 0.821 | 65% | 0.645 | S | S | * | * | trans | -174.1 | 108 | 139 | -86.6 | 146.7 | 0 | 0 | 0 | 105.6 | ||||
| 111 | E | 32.7 | Very low | 47.5 | Very low | 187 Ų | 187 | 125.4 Ų | 125.4 | 87% | 0.874 | 64% | 0.638 | S | S | * | * | trans | -63.4 | 132 | 152.2 | -64.1 | -172.3 | 150.7 | 0 | 0 | 107.3 | ||||
| 112 | V | 31.8 | Very low | 49.5 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 71% | 0.709 | 62% | 0.62 | S | S | * | * | trans | 162.9 | 114 | 150.6 | 152.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 113 | F | 30.3 | Very low | 52 | Low | 187 Ų | 187 | 119 Ų | 119 | 82% | 0.82 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 74.8 | 112.9 | 148.7 | -75 | -111.1 | 0 | 0 | 0 | 122.2 | ||
| 114 | H | 38.8 | Very low | 54.7 | Low | 182 Ų | 182 | 114.5 Ų | 114.5 | 84% | 0.843 | 59% | 0.587 | S | S | * | * | trans | 55.5 | 89.8 | 161.9 | -95.8 | 82.1 | 0 | 0 | 0 | 116.7 | ||||
| 115 | Y | 41.9 | Very low | 57.5 | Low | 218 Ų | 218 | 112.1 Ų | 112.1 | 86% | 0.855 | 57% | 0.569 | S | S | * | * | trans | -39.1 | 120.3 | 171.9 | -90.6 | -96.8 | 0 | 0 | 0 | 113.1 | V117 | Y115-V117 PolarHBondContact O-N 2.69Š| ||
| 116 | P | 48.2 | Very low | 60.1 | Low | 78 Ų | 78 | 104.9 Ų | 104.9 | 51% | 0.506 | 53% | 0.53 | S | S | . | . | trans | -64.5 | 115 | 149.2 | 27.4 | -27.4 | 0 | 0 | 0 | 106 | N118 | P116-N118 VanDerWaalsContact C-N 3.31Å; P116-N118 PolarHBondContact O-N 3.44Å | ||
| 117 | V | 56.9 | Low | 62.2 | Low | 71 Ų | 71 | 102 Ų | 102 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | trans | -64.5 | 99.8 | 171.4 | -178.4 | 0 | 0 | 0 | 0 | 105.8 | R98 Y115 | R98-V117 VanDerWaalsContact CD-O 3.31Å; R98-V117 WeakPolarHBondContact CD-O 3.3Å; R98-V117 PolarHBondContact NH1-O 3.06Å; Y115-V117 PolarHBondContact O-N 2.69Å | ||
| 118 | N | 70.8 | Confident | 64.7 | Low | 46 Ų | 46 | 94.3 Ų | 94.3 | 25% | 0.246 | 49% | 0.494 | C | S | . | . | trans | -59.8 | 152 | 174.2 | -86 | -24.6 | 0 | 0 | 0 | 109.5 | Y100 Y101 P116 E120 | Y100-N118 HydrophobicContact CD2-CB 3.88Å; Y100-N118 HydrophobicContact CE2-CB 4.13Å; Y101-N118 PolarHBondContact N-OD1 3.46Å; Y101-N118 VanDerWaalsContact N-OD1 3.08Å; Y101-N118 PolarHBondContact O-ND2 3.49Å; P116-N118 VanDerWaalsContact C-N 3.31Å; P116-N118 PolarHBondContact O-N 3.44Å; N118-E120 VanDerWaalsContact C-N 3.3Å; N118-E120 PolarHBondContact O-N 3.07Å | ||
| 119 | A | 80.9 | Confident | 67.4 | Low | 1 Ų | 1 | 86.7 Ų | 86.7 | 1% | 0.008 | 46% | 0.456 | C | S | . | . | trans | -64.2 | 93.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | R98 G99 P121 F180 | R98-A119 HydrophobicContact CB-CB 3.95Å; R98-A119 HydrophobicContact CG-CB 4.03Å; R98-A119 WeakPolarHBondContact O-CB 3.26Å; G99-A119 WeakPolarHBondContact O-CB 3.11Å; G99-A119 PolarHBondContact O-N 3.38Å; A119-P121 WeakPolarHBondContact O-CD 3.37Å; A119-F180 HydrophobicContact CB-CD1 3.85Å; A119-F180 HydrophobicContact CB-CE1 3.77Å; A119-F180 WeakPolarHBondContact O-CE1 3.13Å | ||
| 120 | E | 86.9 | Confident | 70.5 | Confident | 102 Ų | 102 | 78.9 Ų | 78.9 | 48% | 0.477 | 42% | 0.42 | S | S | . | . | trans | -72.5 | 125.7 | 174.2 | -77.5 | 177.7 | -164.2 | 0 | 0 | 109.3 | R64 N65 N118 | R64-E120 IonicContact CZ-OE2 2.74Å; R64-E120 IonicContact NH1-OE2 3.7Å; R64-E120 PolarHBondContact NH1-OE2 3.48Å; R64-E120 IonicContact NH2-OE2 3.39Å; R64-E120 PolarHBondContact NH2-OE2 3.46Å; N65-E120 PolarHBondContact ND2-O 2.72Å; N118-E120 VanDerWaalsContact C-N 3.3Å; N118-E120 PolarHBondContact O-N 3.07Å | ||
| 121 | P | 91.1 | Very high | 73.4 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 34% | 0.338 | 40% | 0.397 | S | S | . | . | trans | -50.9 | 151.4 | 173.6 | -28.6 | 36.6 | 0 | 0 | 0 | 113.2 | A119 Q178 C179 F180 | A119-P121 WeakPolarHBondContact O-CD 3.37Å; P121-Q178 HydrophobicContact CG-CG 4.45Å; P121-C179 WeakPolarHBondContact CA-O 3.25Å; P121-F180 HydrophobicContact CG-CE1 4.44Å | ||
| 122 | A | 93.9 | Very high | 76.4 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | trans | -124.6 | 155.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | C124 S155 C179 | A122-C124 PolarHBondContact O-N 2.69Å; A122-S155 VanDerWaalsContact O-CA 3.25Å; A122-S155 WeakPolarHBondContact O-CA 3.4Å; A122-S155 WeakPolarHBondContact O-CB 2.83Å; A122-C179 PolarHBondContact N-O 2.87Å; A122-C179 VanDerWaalsContact O-CB 3.27Å; A122-C179 WeakPolarHBondContact O-CB 3.11Å | ||
| 123 | A | 95.4 | Very high | 79.4 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | trans | -57.3 | 135.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T154 | A123-T154 CarbonylContact C-O 3.56Å; A123-T154 WeakPolarHBondContact CA-O 3.4Å | ||
| 124 | C | 96.4 | Very high | 82.4 | Confident | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | trans | -69.1 | 135.2 | 173.3 | -67.4 | 0 | 0 | 0 | 0 | 109.7 | A122 I126 T154 S155 C179 | A122-C124 PolarHBondContact O-N 2.69Å; C124-I126 PolarHBondContact O-N 3.05Å; C124-T154 PolarHBondContact N-O 2.8Å; C124-S155 VanDerWaalsContact SG-C 3.51Å; C124-S155 PolarHBondContact SG-O 3.33Å; C124-C179 WeakPolarHBondContact CA-SG 3.3Å; C124-C179 HydrophobicContact CB-CB 4.02Å; C124-C179 WeakPolarHBondContact CB-SG 3.2Å; C124-C179 WeakPolarHBondContact SG-CB 3.24Å; C124-C179 CovalentContact SG-SG 2.04Å; C124-C179 PolarHBondContact SG-SG 3.32Å | ||
| 125 | P | 95.3 | Very high | 85 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 26% | 0.26 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -71.4 | -18.9 | 178.5 | 29.1 | -35.1 | 0 | 0 | 0 | 112.9 | F191 Y212 | P125-F191 HydrophobicContact CG-CB 3.81Å; P125-F191 HydrophobicContact CG-CD1 3.36Å; P125-F191 HydrophobicContact CG-CD2 4.48Å; P125-F191 HydrophobicContact CG-CE1 3.98Å; P125-F191 HydrophobicContact CG-CG 3.65Å; P125-Y212 HydrophobicContact CB-CE1 4.04Å; P125-Y212 HydrophobicContact CB-CE2 3.95Å; P125-Y212 WeakPolarHBondContact CB-OH 3.45Å; P125-Y212 HydrophobicContact CG-CD1 4.34Å; P125-Y212 HydrophobicContact CG-CE1 3.76Å; P125-Y212 HydrophobicContact CG-CE2 4.4Å |
| 126 | I | 93.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -96.6 | 106.8 | 174.5 | -54.8 | 176.3 | 0 | 0 | 0 | 107.3 | C124 F130 F191 V214 F221 L244 F246 | C124-I126 PolarHBondContact O-N 3.05Å; I126-F130 HydrophobicContact CG2-CD1 4.39Å; I126-F130 HydrophobicContact CG2-CE1 3.82Å; I126-F130 HydrophobicContact CG2-CZ 4.26Å; I126-F191 HydrophobicContact CD1-CE1 3.94Å; I126-F191 HydrophobicContact CD1-CZ 4.28Å; I126-F191 HydrophobicContact CG1-CE1 4.36Å; I126-V214 HydrophobicContact CD1-CG2 4.33Å; I126-V214 HydrophobicContact CG1-CG2 4.32Å; I126-F221 HydrophobicContact CD1-CB 4.03Å; I126-F221 HydrophobicContact CD1-CD1 3.42Å; I126-F221 VanDerWaalsContact CD1-CD1 3.42Å; I126-F221 HydrophobicContact CD1-CE1 3.91Å; I126-F221 HydrophobicContact CD1-CG 3.76Å; I126-L244 HydrophobicContact CG2-CD2 4.4Å; I126-F246 HydrophobicContact CG2-CE1 4.48Å; I126-F246 HydrophobicContact CG2-CZ 4.26Å |
| 127 | S | 88.9 | Confident | 89 | Confident | 87 Ų | 87 | 41.1 Ų | 41.1 | 61% | 0.608 | 24% | 0.238 | S | C | * | . | trans | -120.8 | 131.8 | -178.8 | 65 | 0 | 0 | 0 | 0 | 112.1 | S150 F246 | S127-S150 VanDerWaalsContact CA-OG 3.22Å; S127-S150 WeakPolarHBondContact CA-OG 3.31Å; S127-F246 WeakPolarHBondContact O-CE1 3.38Å | ||
| 128 | G | 88.1 | Confident | 90.3 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 24% | 0.237 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 127.3 | -173.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S150 | G128-S150 PolarHBondContact N-OG 2.98Å; G128-S150 PolarHBondContact O-N 2.79Å; G128-S150 PolarHBondContact O-OG 3.47Å |
| 129 | H | 90.2 | Very high | 91 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135.3 | 172.8 | -61.1 | -85.6 | 0 | 0 | 0 | 108.8 | N149 F246 T247 S249 Y319 N326 | H129-N149 PolarHBondContact ND1-OD1 2.97Å; H129-F246 WeakPolarHBondContact O-CA 3.44Å; H129-F246 WeakPolarHBondContact O-CD1 3.32Å; H129-T247 VanDerWaalsContact CB-OG1 3.23Å; H129-T247 WeakPolarHBondContact CB-OG1 3.48Å; H129-T247 PolarHBondContact O-N 2.79Å; H129-T247 PolarHBondContact O-OG1 2.83Å; H129-S249 PolarHBondContact CD2-OG 3.26Å; H129-S249 VanDerWaalsContact CD2-OG 3.26Å; H129-Y319 AromaticContact NE2-CE1 3.86Å; H129-N326 PolarHBondContact CE1-ND2 2.92Å; H129-N326 PolarHBondContact ND1-ND2 2.84Å |
| 130 | F | 93.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 146.8 | -179.1 | 56.2 | -89.9 | 0 | 0 | 0 | 111.9 | I126 F132 G148 L157 L159 F221 L244 T245 F246 | I126-F130 HydrophobicContact CG2-CD1 4.39Å; I126-F130 HydrophobicContact CG2-CE1 3.82Å; I126-F130 HydrophobicContact CG2-CZ 4.26Å; F130-F132 HydrophobicContact CD2-CB 4.2Å; F130-F132 AromaticContact CD2-CD1 3.98Å; F130-F132 HydrophobicContact CD2-CD1 3.98Å; F130-F132 HydrophobicContact CE2-CB 4.45Å; F130-F132 AromaticContact CE2-CD1 3.77Å; F130-F132 HydrophobicContact CE2-CD1 3.77Å; F130-F132 HydrophobicContact CE2-CE1 4.43Å; F130-F132 HydrophobicContact CE2-CG 4.41Å; F130-G148 WeakPolarHBondContact CD1-O 3.47Å; F130-G148 PolarHBondContact N-O 2.75Å; F130-G148 PolarHBondContact O-N 2.92Å; F130-L157 HydrophobicContact CE1-CD1 3.68Å; F130-L157 HydrophobicContact CZ-CD1 3.88Å; F130-L157 HydrophobicContact CZ-CD2 4.4Å; F130-L159 HydrophobicContact CE2-CD2 3.97Å; F130-L159 HydrophobicContact CZ-CD2 3.75Å; F130-F221 HydrophobicContact CE2-CE1 4.38Å; F130-L244 HydrophobicContact CB-CB 4.27Å; F130-L244 HydrophobicContact CB-CD1 4.14Å; F130-L244 HydrophobicContact CD2-CB 3.61Å; F130-L244 HydrophobicContact CD2-CD2 4.29Å; F130-L244 HydrophobicContact CD2-CG 4.37Å; F130-L244 HydrophobicContact CE2-CB 4.23Å; F130-L244 HydrophobicContact CE2-CD2 4.31Å; F130-L244 HydrophobicContact CG-CB 4.17Å; F130-L244 HydrophobicContact CG-CD1 4.31Å; F130-T245 VanDerWaalsContact CA-O 3.29Å; F130-T245 WeakPolarHBondContact CA-O 3.17Å; F130-T245 WeakPolarHBondContact CB-O 3.42Å; F130-F246 HydrophobicContact CB-CD1 3.87Å; F130-F246 HydrophobicContact CB-CE1 4.27Å; F130-F246 HydrophobicContact CB-CG 4.48Å; F130-F246 HydrophobicContact CD1-CD1 4.32Å; F130-F246 AromaticContact CD1-CE1 3.98Å; F130-F246 HydrophobicContact CD1-CE1 3.98Å; F130-F246 HydrophobicContact CG-CE1 4.49Å |
| 131 | N | 95.6 | Very high | 91.7 | Very high | 65 Ų | 65 | 40.1 Ų | 40.1 | 35% | 0.348 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 141.9 | 167.8 | -75.3 | -12.8 | 0 | 0 | 0 | 108.2 | T145 S146 L244 T245 T247 | N131-T145 HydrophobicContact CB-CG2 3.48Å; N131-T145 VanDerWaalsContact CB-CG2 3.48Å; N131-S146 CarbonylContact C-O 3.55Å; N131-S146 WeakPolarHBondContact CA-O 3.32Å; N131-L244 CarbonylContact O-C 3.48Å; N131-L244 VanDerWaalsContact O-CA 3.27Å; N131-L244 WeakPolarHBondContact O-CA 3.46Å; N131-T245 PolarHBondContact N-O 2.99Å; N131-T245 PolarHBondContact O-N 2.82Å; N131-T247 HydrophobicContact CB-CG2 4.37Å |
| 132 | F | 95.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 154.8 | 179.3 | 74.8 | -94.2 | 0 | 0 | 0 | 114.6 | F130 Y134 S146 I147 L159 Y161 I242 N243 L244 | F130-F132 HydrophobicContact CD2-CB 4.2Å; F130-F132 AromaticContact CD2-CD1 3.98Å; F130-F132 HydrophobicContact CD2-CD1 3.98Å; F130-F132 HydrophobicContact CE2-CB 4.45Å; F130-F132 AromaticContact CE2-CD1 3.77Å; F130-F132 HydrophobicContact CE2-CD1 3.77Å; F130-F132 HydrophobicContact CE2-CE1 4.43Å; F130-F132 HydrophobicContact CE2-CG 4.41Å; F132-Y134 HydrophobicContact CD2-CD1 4.48Å; F132-Y134 HydrophobicContact CE2-CD1 4.05Å; F132-S146 PolarHBondContact N-O 2.8Å; F132-S146 WeakPolarHBondContact O-CA 3.36Å; F132-S146 WeakPolarHBondContact O-CB 3.42Å; F132-S146 PolarHBondContact O-N 3.3Å; F132-I147 VanDerWaalsContact CE1-C 3.44Å; F132-I147 WeakPolarHBondContact CE1-O 3.18Å; F132-L159 HydrophobicContact CE1-CB 4.39Å; F132-L159 HydrophobicContact CE1-CD2 4.05Å; F132-L159 HydrophobicContact CZ-CB 4.24Å; F132-L159 HydrophobicContact CZ-CD2 4.43Å; F132-Y161 AromaticContact CE2-CD1 3.85Å; F132-Y161 HydrophobicContact CE2-CD1 3.85Å; F132-Y161 AromaticContact CE2-CE1 3.76Å; F132-Y161 HydrophobicContact CE2-CE1 3.76Å; F132-Y161 HydrophobicContact CE2-CG 4.48Å; F132-Y161 HydrophobicContact CZ-CD1 4.08Å; F132-Y161 HydrophobicContact CZ-CD2 4.47Å; F132-Y161 HydrophobicContact CZ-CE1 4.09Å; F132-Y161 HydrophobicContact CZ-CE2 4.48Å; F132-Y161 HydrophobicContact CZ-CG 4.28Å; F132-I242 HydrophobicContact CB-CG2 3.66Å; F132-I242 HydrophobicContact CD2-CD1 4.38Å; F132-I242 HydrophobicContact CD2-CG1 4.3Å; F132-I242 HydrophobicContact CD2-CG2 3.61Å; F132-I242 HydrophobicContact CE2-CD1 4.16Å; F132-I242 HydrophobicContact CE2-CG1 4.44Å; F132-I242 HydrophobicContact CE2-CG2 4.42Å; F132-I242 HydrophobicContact CG-CG2 3.76Å; F132-N243 CarbonylContact C-O 3.59Å; F132-N243 WeakPolarHBondContact CA-O 3.49Å; F132-N243 WeakPolarHBondContact CB-O 3.37Å; F132-L244 HydrophobicContact CB-CB 4.02Å |
| 133 | T | 95 | Very high | 91.4 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 20% | 0.202 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 158.9 | 165 | 55.5 | 0 | 0 | 0 | 0 | 108.6 | C141 I242 N243 | T133-C141 WeakPolarHBondContact CB-O 3.43Å; T133-I242 WeakPolarHBondContact O-CA 3.28Å; T133-N243 PolarHBondContact N-O 2.79Å; T133-N243 PolarHBondContact O-N 2.79Å |
| 134 | Y | 94 | Very high | 91.2 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 147.4 | -177 | 65.4 | -89.5 | 0 | 0 | 0 | 112.9 | F132 T136 S140 C141 Y161 Q162 R241 | F132-Y134 HydrophobicContact CD2-CD1 4.48Å; F132-Y134 HydrophobicContact CE2-CD1 4.05Å; Y134-T136 HydrophobicContact CD2-CG2 4.33Å; Y134-S140 CarbonylContact O-C 3.57Å; Y134-S140 WeakPolarHBondContact O-CA 3.45Å; Y134-C141 HydrophobicContact CD1-CB 3.85Å; Y134-C141 HydrophobicContact CD2-CB 4.06Å; Y134-C141 HydrophobicContact CE1-CB 3.37Å; Y134-C141 WeakPolarHBondContact CE1-SG 3.5Å; Y134-C141 HydrophobicContact CE2-CB 3.6Å; Y134-C141 HydrophobicContact CG-CB 4.18Å; Y134-C141 VanDerWaalsContact CZ-SG 3.56Å; Y134-C141 PolarHBondContact N-O 3.01Å; Y134-C141 PolarHBondContact O-N 3.01Å; Y134-Y161 AromaticContact CD1-CD1 3.63Å; Y134-Y161 HydrophobicContact CD1-CD1 3.63Å; Y134-Y161 HydrophobicContact CD1-CE1 4.17Å; Y134-Y161 HydrophobicContact CD2-CD1 4.33Å; Y134-Y161 AromaticContact CE1-CD1 3.72Å; Y134-Y161 HydrophobicContact CE1-CD1 3.72Å; Y134-Y161 HydrophobicContact CE2-CD1 4.41Å; Y134-Y161 AromaticContact CG-CD1 3.95Å; Y134-Y161 HydrophobicContact CG-CD1 3.95Å; Y134-Y161 HydrophobicContact CG-CE1 4.1Å; Y134-Q162 PolarHBondContact OH-O 3.26Å; Y134-R241 CarbonylContact C-O 3.51Å; Y134-R241 VanDerWaalsContact CA-O 3.25Å; Y134-R241 WeakPolarHBondContact CA-O 3.32Å |
| 135 | S | 92.4 | Very high | 90.9 | Very high | 12 Ų | 12 | 52 Ų | 52 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.6 | 175.2 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | S140 K240 R241 | S135-S140 WeakPolarHBondContact CB-OG 3.37Å; S135-S140 WeakPolarHBondContact OG-CB 3.47Å; S135-S140 PolarHBondContact OG-OG 2.84Å; S135-K240 CarbonylContact O-C 3.58Å; S135-K240 WeakPolarHBondContact O-CA 3.4Å; S135-R241 PolarHBondContact N-O 2.83Å; S135-R241 PolarHBondContact O-N 3.24Å |
| 136 | T | 90 | Very high | 90.9 | Very high | 38 Ų | 38 | 50 Ų | 50 | 23% | 0.233 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 173.6 | 172.6 | 67.6 | 0 | 0 | 0 | 0 | 109.2 | Y134 R138 G139 V239 K240 | Y134-T136 HydrophobicContact CD2-CG2 4.33Å; T136-R138 PolarHBondContact O-N 3.02Å; T136-R138 PolarHBondContact OG1-N 3.02Å; T136-G139 PolarHBondContact N-O 2.82Å; T136-G139 PolarHBondContact O-N 2.97Å; T136-G139 PolarHBondContact OG1-O 2.79Å; T136-V239 WeakPolarHBondContact CA-O 3.28Å; T136-K240 HydrophobicContact CG2-CG 4.21Å |
| 137 | Y | 84.3 | Confident | 91 | Very high | 179 Ų | 179 | 53.4 Ų | 53.4 | 70% | 0.702 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.3 | 171 | 77.5 | -88 | 0 | 0 | 0 | 113.5 | ||
| 138 | R | 83.4 | Confident | 91.2 | Very high | 126 Ų | 126 | 49.2 Ų | 49.2 | 48% | 0.475 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -2.4 | -179.9 | -59.6 | -169.2 | -173.9 | -161.4 | -0.5 | 114.1 | T136 | T136-R138 PolarHBondContact O-N 3.02Å; T136-R138 PolarHBondContact OG1-N 3.02Å |
| 139 | G | 86.9 | Confident | 91.4 | Very high | 25 Ų | 25 | 49 Ų | 49 | 26% | 0.258 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.4 | 176.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | T136 | T136-G139 PolarHBondContact N-O 2.82Å; T136-G139 PolarHBondContact O-N 2.97Å; T136-G139 PolarHBondContact OG1-O 2.79Å |
| 140 | S | 90.4 | Very high | 91.6 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131 | -178.4 | -57.3 | 0 | 0 | 0 | 0 | 111 | Y134 S135 E166 | Y134-S140 CarbonylContact O-C 3.57Å; Y134-S140 WeakPolarHBondContact O-CA 3.45Å; S135-S140 WeakPolarHBondContact CB-OG 3.37Å; S135-S140 WeakPolarHBondContact OG-CB 3.47Å; S135-S140 PolarHBondContact OG-OG 2.84Å; S140-E166 WeakPolarHBondContact O-CG 3.47Å |
| 141 | C | 90.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 100.2 | 171.7 | 176.7 | 0 | 0 | 0 | 0 | 108.2 | T133 Y134 C164 | T133-C141 WeakPolarHBondContact CB-O 3.43Å; Y134-C141 HydrophobicContact CD1-CB 3.85Å; Y134-C141 HydrophobicContact CD2-CB 4.06Å; Y134-C141 HydrophobicContact CE1-CB 3.37Å; Y134-C141 WeakPolarHBondContact CE1-SG 3.5Å; Y134-C141 HydrophobicContact CE2-CB 3.6Å; Y134-C141 HydrophobicContact CG-CB 4.18Å; Y134-C141 VanDerWaalsContact CZ-SG 3.56Å; Y134-C141 PolarHBondContact N-O 3.01Å; Y134-C141 PolarHBondContact O-N 3.01Å; C141-C164 WeakPolarHBondContact CA-SG 3.26Å; C141-C164 HydrophobicContact CB-CB 3.52Å; C141-C164 WeakPolarHBondContact CB-SG 3.44Å; C141-C164 WeakPolarHBondContact SG-CB 3.25Å; C141-C164 CovalentContact SG-SG 2.02Å; C141-C164 PolarHBondContact SG-SG 3.34Å |
| 142 | V | 90.7 | Very high | 91.6 | Very high | 90 Ų | 90 | 46.8 Ų | 46.8 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | -17.5 | -177.8 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | E166 | V142-E166 PolarHBondContact N-OE1 2.85Å |
| 143 | T | 88.3 | Confident | 91.5 | Very high | 96 Ų | 96 | 47.3 Ų | 47.3 | 59% | 0.589 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -23.1 | 178.7 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | E166 | T143-E166 VanDerWaalsContact CB-OE1 3.25Å; T143-E166 WeakPolarHBondContact CB-OE1 3.46Å; T143-E166 WeakPolarHBondContact CG2-OE1 3.38Å; T143-E166 PolarHBondContact N-OE1 3.32Å; T143-E166 VanDerWaalsContact N-OE1 3.08Å; T143-E166 PolarHBondContact OG1-OE1 3Å; T143-E166 PolarHBondContact OG1-OE2 3.37Å |
| 144 | R | 91.1 | Very high | 91.5 | Very high | 120 Ų | 120 | 50.1 Ų | 50.1 | 45% | 0.453 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.3 | 175.9 | -57.5 | -157.3 | -172.5 | -175.3 | -3.1 | 111.4 | Q162 A163 | R144-Q162 HydrophobicContact CB-CB 3.87Å; R144-Q162 HydrophobicContact CB-CG 4.48Å; R144-A163 WeakPolarHBondContact CD-O 3.18Å; R144-A163 PolarHBondContact NE-O 2.79Å |
| 145 | T | 91.6 | Very high | 91.5 | Very high | 80 Ų | 80 | 50.2 Ų | 50.2 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118.5 | 179.4 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | N131 Q162 | N131-T145 HydrophobicContact CB-CG2 3.48Å; N131-T145 VanDerWaalsContact CB-CG2 3.48Å; T145-Q162 VanDerWaalsContact O-CG 3.22Å; T145-Q162 WeakPolarHBondContact O-CG 3.22Å |
| 146 | S | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 161.4 | 170.4 | -59.9 | 0 | 0 | 0 | 0 | 110.2 | N131 F132 F160 Q162 | N131-S146 CarbonylContact C-O 3.55Å; N131-S146 WeakPolarHBondContact CA-O 3.32Å; F132-S146 PolarHBondContact N-O 2.8Å; F132-S146 WeakPolarHBondContact O-CA 3.36Å; F132-S146 WeakPolarHBondContact O-CB 3.42Å; F132-S146 PolarHBondContact O-N 3.3Å; S146-F160 WeakPolarHBondContact CA-O 3.18Å; S146-F160 WeakPolarHBondContact CB-O 3.43Å; S146-Q162 PolarHBondContact OG-N 3.17Å |
| 147 | I | 94.5 | Very high | 91.8 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130 | -173.9 | -58.8 | 172.2 | 0 | 0 | 0 | 109.5 | F132 F160 | F132-I147 VanDerWaalsContact CE1-C 3.44Å; F132-I147 WeakPolarHBondContact CE1-O 3.18Å; I147-F160 PolarHBondContact N-O 3.35Å; I147-F160 WeakPolarHBondContact O-CA 3.36Å; I147-F160 WeakPolarHBondContact O-CB 3.18Å; I147-F160 PolarHBondContact O-N 2.87Å |
| 148 | G | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 134.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F130 R158 | F130-G148 WeakPolarHBondContact CD1-O 3.47Å; F130-G148 PolarHBondContact N-O 2.75Å; F130-G148 PolarHBondContact O-N 2.92Å; G148-R158 CarbonylContact C-O 3.56Å; G148-R158 VanDerWaalsContact CA-O 3.28Å; G148-R158 WeakPolarHBondContact CA-O 3.27Å |
| 149 | N | 92.5 | Very high | 92.8 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.7 | -176.5 | -69.6 | -23.6 | 0 | 0 | 0 | 110.1 | H129 L157 R158 N326 | H129-N149 PolarHBondContact ND1-OD1 2.97Å; N149-L157 WeakPolarHBondContact O-CD1 3.48Å; N149-R158 PolarHBondContact N-O 3.35Å; N149-R158 PolarHBondContact O-N 3.47Å; N149-N326 PolarHBondContact ND2-OD1 3.17Å |
| 150 | S | 92.7 | Very high | 93.1 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 140 | 157.8 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | S127 G128 | S127-S150 VanDerWaalsContact CA-OG 3.22Å; S127-S150 WeakPolarHBondContact CA-OG 3.31Å; G128-S150 PolarHBondContact N-OG 2.98Å; G128-S150 PolarHBondContact O-N 2.79Å; G128-S150 PolarHBondContact O-OG 3.47Å |
| 151 | C | 94.6 | Very high | 93.2 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | trans | -82.8 | 170.3 | 174.5 | -52.5 | 0 | 0 | 0 | 0 | 110.1 | S153 K156 D323 C324 | C151-S153 PolarHBondContact O-N 2.67Å; C151-K156 HydrophobicContact CB-CB 3.71Å; C151-K156 PolarHBondContact N-O 2.01Å; C151-K156 VanDerWaalsContact N-O 3.09Å; C151-D323 CarbonylContact C-O 3.56Å; C151-D323 WeakPolarHBondContact CA-O 2.95Å; C151-D323 WeakPolarHBondContact CB-O 3.31Å; C151-C324 HydrophobicContact CB-CB 4Å; C151-C324 WeakPolarHBondContact CB-SG 3.47Å; C151-C324 WeakPolarHBondContact SG-CB 3.38Å; C151-C324 CovalentContact SG-SG 2.04Å; C151-C324 PolarHBondContact SG-SG 3.44Å | ||
| 152 | A | 94.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -55.1 | -43 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T154 N298 V299 V301 T321 D323 | A152-T154 PolarHBondContact O-N 2.84Å; A152-N298 CarbonylContact C-O 3.5Å; A152-N298 WeakPolarHBondContact O-CB 3.39Å; A152-V299 WeakPolarHBondContact CB-O 3.17Å; A152-V301 HydrophobicContact CB-CG2 4.28Å; A152-T321 HydrophobicContact CB-CG2 4.44Å; A152-D323 PolarHBondContact N-O 3.35Å |
| 153 | S | 94.2 | Very high | 93.2 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -69.5 | 122 | 167.5 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | C151 S155 K156 N298 | C151-S153 PolarHBondContact O-N 2.67Å; S153-S155 PolarHBondContact O-N 2.92Å; S153-S155 PolarHBondContact OG-OG 2.87Å; S153-K156 PolarHBondContact O-N 2.83Å; S153-N298 PolarHBondContact N-O 3.46Å; S153-N298 VanDerWaalsContact N-O 3.1Å |
| 154 | T | 94.1 | Very high | 93.1 | Very high | 93 Ų | 93 | 34.2 Ų | 34.2 | 57% | 0.571 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.8 | 179.7 | 59 | 0 | 0 | 0 | 0 | 113.2 | A123 C124 A152 | A123-T154 CarbonylContact C-O 3.56Å; A123-T154 WeakPolarHBondContact CA-O 3.4Å; C124-T154 PolarHBondContact N-O 2.8Å; A152-T154 PolarHBondContact O-N 2.84Å |
| 155 | S | 94.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -3.6 | -180 | 69.4 | 0 | 0 | 0 | 0 | 113.9 | A122 C124 S153 Q178 C179 | A122-S155 VanDerWaalsContact O-CA 3.25Å; A122-S155 WeakPolarHBondContact O-CA 3.4Å; A122-S155 WeakPolarHBondContact O-CB 2.83Å; C124-S155 VanDerWaalsContact SG-C 3.51Å; C124-S155 PolarHBondContact SG-O 3.33Å; S153-S155 PolarHBondContact O-N 2.92Å; S153-S155 PolarHBondContact OG-OG 2.87Å; S155-Q178 PolarHBondContact O-NE2 2.78Å; S155-Q178 PolarHBondContact OG-NE2 3.45Å; S155-C179 WeakPolarHBondContact O-CB 3.45Å; S155-C179 PolarHBondContact O-N 3.22Å |
| 156 | K | 94.7 | Very high | 91.7 | Very high | 72 Ų | 72 | 33.5 Ų | 33.5 | 31% | 0.313 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142 | -178.2 | -70.1 | -178.8 | -178 | 174.7 | 0 | 112.3 | C151 S153 V177 Q178 | C151-K156 HydrophobicContact CB-CB 3.71Å; C151-K156 PolarHBondContact N-O 2.01Å; C151-K156 VanDerWaalsContact N-O 3.09Å; S153-K156 PolarHBondContact O-N 2.83Å; K156-V177 CarbonylContact C-O 3.55Å; K156-V177 VanDerWaalsContact CA-O 3.31Å; K156-V177 WeakPolarHBondContact CA-O 3.31Å; K156-Q178 VanDerWaalsContact CG-OE1 3.22Å |
| 157 | L | 94.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 134 | 175.3 | 174.4 | 73.8 | 0 | 0 | 0 | 109.4 | F130 N149 L159 D176 V177 | F130-L157 HydrophobicContact CE1-CD1 3.68Å; F130-L157 HydrophobicContact CZ-CD1 3.88Å; F130-L157 HydrophobicContact CZ-CD2 4.4Å; N149-L157 WeakPolarHBondContact O-CD1 3.48Å; L157-L159 HydrophobicContact CD2-CD2 4.06Å; L157-L159 HydrophobicContact CD2-CG 4.42Å; L157-L159 HydrophobicContact CG-CD2 4.28Å; L157-D176 CarbonylContact O-C 3.59Å; L157-D176 WeakPolarHBondContact O-CA 3.39Å; L157-V177 HydrophobicContact CB-CB 4.38Å; L157-V177 PolarHBondContact N-O 2.87Å; L157-V177 PolarHBondContact O-N 2.82Å |
| 158 | R | 94.8 | Very high | 89.3 | Confident | 60 Ų | 60 | 38.2 Ų | 38.2 | 23% | 0.226 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.8 | 173.5 | 173.9 | 164.7 | -73.8 | -179.6 | -1.1 | 110.7 | G148 N149 T174 D176 C324 | G148-R158 CarbonylContact C-O 3.56Å; G148-R158 VanDerWaalsContact CA-O 3.28Å; G148-R158 WeakPolarHBondContact CA-O 3.27Å; N149-R158 PolarHBondContact N-O 3.35Å; N149-R158 PolarHBondContact O-N 3.47Å; R158-T174 HydrophobicContact CG-CG2 3.75Å; R158-D176 VanDerWaalsContact CB-OD1 3.24Å; R158-D176 WeakPolarHBondContact CB-OD1 3.26Å; R158-D176 WeakPolarHBondContact CG-OD1 3.29Å; R158-D176 IonicContact CZ-OD1 2.91Å; R158-D176 IonicContact CZ-OD2 3.17Å; R158-D176 IonicContact NE-OD1 3.38Å; R158-D176 PolarHBondContact NE-OD1 2.93Å; R158-D176 IonicContact NE-OD2 3.34Å; R158-D176 IonicContact NH2-OD1 2.74Å; R158-D176 IonicContact NH2-OD2 3.83Å; R158-D176 PolarHBondContact NH2-OD2 2.97Å; R158-C324 HydrophobicContact CB-CB 3.78Å; R158-C324 HydrophobicContact CG-CB 4.39Å |
| 159 | L | 94 | Very high | 88 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 111 | 174.6 | -59.3 | 176.9 | 0 | 0 | 0 | 109.3 | F130 F132 L157 Y161 T174 V175 V177 F221 I242 | F130-L159 HydrophobicContact CE2-CD2 3.97Å; F130-L159 HydrophobicContact CZ-CD2 3.75Å; F132-L159 HydrophobicContact CE1-CB 4.39Å; F132-L159 HydrophobicContact CE1-CD2 4.05Å; F132-L159 HydrophobicContact CZ-CB 4.24Å; F132-L159 HydrophobicContact CZ-CD2 4.43Å; L157-L159 HydrophobicContact CD2-CD2 4.06Å; L157-L159 HydrophobicContact CD2-CG 4.42Å; L157-L159 HydrophobicContact CG-CD2 4.28Å; L159-Y161 HydrophobicContact CB-CD2 4.28Å; L159-Y161 HydrophobicContact CB-CE2 3.63Å; L159-Y161 HydrophobicContact CD1-CE2 4.31Å; L159-T174 CarbonylContact O-C 3.57Å; L159-T174 WeakPolarHBondContact O-CA 3.32Å; L159-V175 PolarHBondContact N-O 2.78Å; L159-V175 PolarHBondContact O-N 2.82Å; L159-V177 HydrophobicContact CD1-CG2 4.3Å; L159-F221 HydrophobicContact CD1-CE2 4.4Å; L159-F221 HydrophobicContact CD1-CZ 4.1Å; L159-F221 HydrophobicContact CD2-CZ 4.13Å; L159-I242 HydrophobicContact CD1-CD1 4.22Å |
| 160 | F | 93.4 | Very high | 86.8 | Confident | 66 Ų | 66 | 46.1 Ų | 46.1 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 102.1 | 174.2 | -179.2 | -110.6 | 0 | 0 | 0 | 110.4 | S146 I147 Q162 T174 | S146-F160 WeakPolarHBondContact CA-O 3.18Å; S146-F160 WeakPolarHBondContact CB-O 3.43Å; I147-F160 PolarHBondContact N-O 3.35Å; I147-F160 WeakPolarHBondContact O-CA 3.36Å; I147-F160 WeakPolarHBondContact O-CB 3.18Å; I147-F160 PolarHBondContact O-N 2.87Å; F160-Q162 HydrophobicContact CE1-CG 4.46Å; F160-T174 WeakPolarHBondContact CD2-OG1 3.41Å |
| 161 | Y | 92.2 | Very high | 86.3 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 124.2 | 178.7 | -65.9 | -97.1 | 0 | 0 | 0 | 110.5 | F132 Y134 L159 S172 K173 V175 K240 I242 | F132-Y161 AromaticContact CE2-CD1 3.85Å; F132-Y161 HydrophobicContact CE2-CD1 3.85Å; F132-Y161 AromaticContact CE2-CE1 3.76Å; F132-Y161 HydrophobicContact CE2-CE1 3.76Å; F132-Y161 HydrophobicContact CE2-CG 4.48Å; F132-Y161 HydrophobicContact CZ-CD1 4.08Å; F132-Y161 HydrophobicContact CZ-CD2 4.47Å; F132-Y161 HydrophobicContact CZ-CE1 4.09Å; F132-Y161 HydrophobicContact CZ-CE2 4.48Å; F132-Y161 HydrophobicContact CZ-CG 4.28Å; Y134-Y161 AromaticContact CD1-CD1 3.63Å; Y134-Y161 HydrophobicContact CD1-CD1 3.63Å; Y134-Y161 HydrophobicContact CD1-CE1 4.17Å; Y134-Y161 HydrophobicContact CD2-CD1 4.33Å; Y134-Y161 AromaticContact CE1-CD1 3.72Å; Y134-Y161 HydrophobicContact CE1-CD1 3.72Å; Y134-Y161 HydrophobicContact CE2-CD1 4.41Å; Y134-Y161 AromaticContact CG-CD1 3.95Å; Y134-Y161 HydrophobicContact CG-CD1 3.95Å; Y134-Y161 HydrophobicContact CG-CE1 4.1Å; L159-Y161 HydrophobicContact CB-CD2 4.28Å; L159-Y161 HydrophobicContact CB-CE2 3.63Å; L159-Y161 HydrophobicContact CD1-CE2 4.31Å; Y161-S172 CarbonylContact O-C 3.49Å; Y161-S172 WeakPolarHBondContact O-CA 3.34Å; Y161-S172 VanDerWaalsContact O-CB 3.3Å; Y161-S172 WeakPolarHBondContact O-CB 3.45Å; Y161-K173 WeakPolarHBondContact CB-O 3.25Å; Y161-K173 WeakPolarHBondContact CD2-O 3.38Å; Y161-K173 PolarHBondContact N-O 2.77Å; Y161-K173 PolarHBondContact O-N 3.04Å; Y161-V175 HydrophobicContact CD2-CG2 4.19Å; Y161-V175 HydrophobicContact CE2-CB 4.13Å; Y161-V175 HydrophobicContact CE2-CG2 3.87Å; Y161-K240 HydrophobicContact CE1-CD 3.82Å; Y161-K240 WeakPolarHBondContact OH-CD 3.34Å; Y161-K240 PolarHBondContact OH-NZ 3.19Å; Y161-I242 HydrophobicContact CE1-CD1 4.2Å; Y161-I242 WeakPolarHBondContact OH-CD1 3.45Å |
| 162 | Q | 92.6 | Very high | 86 | Confident | 52 Ų | 52 | 55 Ų | 55 | 24% | 0.243 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 144.1 | 166.6 | -76 | -70.3 | -8.8 | 0 | 0 | 111 | Y134 R144 T145 S146 F160 | Y134-Q162 PolarHBondContact OH-O 3.26Å; R144-Q162 HydrophobicContact CB-CB 3.87Å; R144-Q162 HydrophobicContact CB-CG 4.48Å; T145-Q162 VanDerWaalsContact O-CG 3.22Å; T145-Q162 WeakPolarHBondContact O-CG 3.22Å; S146-Q162 PolarHBondContact OG-N 3.17Å; F160-Q162 HydrophobicContact CE1-CG 4.46Å |
| 163 | A | 89 | Confident | 85.7 | Confident | 16 Ų | 16 | 59.1 Ų | 59.1 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 122.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | R144 I170 | R144-A163 WeakPolarHBondContact CD-O 3.18Å; R144-A163 PolarHBondContact NE-O 2.79Å; A163-I170 WeakPolarHBondContact CB-O 3.31Å |
| 164 | C | 85.5 | Confident | 85.6 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.02 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -102.7 | 134.3 | 173.6 | -81.8 | 0 | 0 | 0 | 0 | 110.2 | C141 E166 S167 | C141-C164 WeakPolarHBondContact CA-SG 3.26Å; C141-C164 HydrophobicContact CB-CB 3.52Å; C141-C164 WeakPolarHBondContact CB-SG 3.44Å; C141-C164 WeakPolarHBondContact SG-CB 3.25Å; C141-C164 CovalentContact SG-SG 2.02Å; C141-C164 PolarHBondContact SG-SG 3.34Å; C164-E166 HydrophobicContact CB-CG 4.23Å; C164-E166 WeakPolarHBondContact CB-OE1 3.41Å; C164-E166 PolarHBondContact O-N 3.22Å; C164-E166 PolarHBondContact SG-OE1 3.17Å; C164-S167 PolarHBondContact O-N 3Å; C164-S167 VanDerWaalsContact O-O 3.13Å; C164-S167 PolarHBondContact O-OG 3.47Å |
| 165 | P | 79.8 | Confident | 85.4 | Confident | 106 Ų | 106 | 58.1 Ų | 58.1 | 69% | 0.688 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -34.7 | 175.6 | -15 | 21.6 | 0 | 0 | 0 | 113.2 | S167 | P165-S167 VanDerWaalsContact C-N 3.27Å; P165-S167 PolarHBondContact O-N 2.91Å |
| 166 | E | 75 | Confident | 85.3 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8.6 | 178.9 | 67.3 | -86.1 | -170.3 | 0 | 0 | 114.1 | S140 V142 T143 C164 | S140-E166 WeakPolarHBondContact O-CG 3.47Å; V142-E166 PolarHBondContact N-OE1 2.85Å; T143-E166 VanDerWaalsContact CB-OE1 3.25Å; T143-E166 WeakPolarHBondContact CB-OE1 3.46Å; T143-E166 WeakPolarHBondContact CG2-OE1 3.38Å; T143-E166 PolarHBondContact N-OE1 3.32Å; T143-E166 VanDerWaalsContact N-OE1 3.08Å; T143-E166 PolarHBondContact OG1-OE1 3Å; T143-E166 PolarHBondContact OG1-OE2 3.37Å; C164-E166 HydrophobicContact CB-CG 4.23Å; C164-E166 WeakPolarHBondContact CB-OE1 3.41Å; C164-E166 PolarHBondContact O-N 3.22Å; C164-E166 PolarHBondContact SG-OE1 3.17Å |
| 167 | S | 70.3 | Confident | 85.3 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -105.7 | 150.1 | 179.7 | 86.2 | 0 | 0 | 0 | 0 | 110.4 | C164 P165 S169 | C164-S167 PolarHBondContact O-N 3Å; C164-S167 VanDerWaalsContact O-O 3.13Å; C164-S167 PolarHBondContact O-OG 3.47Å; P165-S167 VanDerWaalsContact C-N 3.27Å; P165-S167 PolarHBondContact O-N 2.91Å; S167-S169 PolarHBondContact O-N 2.82Å; S167-S169 VanDerWaalsContact O-N 3.1Å; S167-S169 PolarHBondContact OG-N 2.73Å; S167-S169 PolarHBondContact OG-O 2.87Å |
| 168 | Y | 67.8 | Low | 85.3 | Confident | 159 Ų | 159 | 56.9 Ų | 56.9 | 62% | 0.624 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -65.1 | -10.4 | 171.1 | -166 | -91.9 | 0 | 0 | 0 | 113 | I170 | Y168-I170 PolarHBondContact O-N 2.82Š|
| 169 | S | 67.2 | Low | 85.3 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | trans | -77.7 | 87.6 | 174.9 | -165 | 0 | 0 | 0 | 0 | 109.6 | S167 E171 | S167-S169 PolarHBondContact O-N 2.82Å; S167-S169 VanDerWaalsContact O-N 3.1Å; S167-S169 PolarHBondContact OG-N 2.73Å; S167-S169 PolarHBondContact OG-O 2.87Å; S169-E171 VanDerWaalsContact C-N 3.25Å; S169-E171 PolarHBondContact O-N 3.03Å; S169-E171 PolarHBondContact OG-O 3.4Å | ||
| 170 | I | 67.6 | Low | 85.3 | Confident | 138 Ų | 138 | 54.7 Ų | 54.7 | 71% | 0.708 | 28% | 0.283 | S | S | * | . | trans | -70 | -25.5 | -177.6 | -59.8 | 164.8 | 0 | 0 | 0 | 111.5 | A163 Y168 | A163-I170 WeakPolarHBondContact CB-O 3.31Å; Y168-I170 PolarHBondContact O-N 2.82Å | ||
| 171 | E | 81.4 | Confident | 85.4 | Confident | 153 Ų | 153 | 51.6 Ų | 51.6 | 72% | 0.715 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -114.4 | 144.2 | -176.7 | -65.9 | 178.8 | -179.6 | 0 | 0 | 112 | S169 | S169-E171 VanDerWaalsContact C-N 3.25Å; S169-E171 PolarHBondContact O-N 3.03Å; S169-E171 PolarHBondContact OG-O 3.4Å |
| 172 | S | 88.1 | Confident | 85.6 | Confident | 66 Ų | 66 | 53.7 Ų | 53.7 | 46% | 0.462 | 29% | 0.285 | S | S | . | . | trans | -70.2 | 143.4 | 168.1 | 50.7 | 0 | 0 | 0 | 0 | 108.9 | Y161 | Y161-S172 CarbonylContact O-C 3.49Å; Y161-S172 WeakPolarHBondContact O-CA 3.34Å; Y161-S172 VanDerWaalsContact O-CB 3.3Å; Y161-S172 WeakPolarHBondContact O-CB 3.45Å | ||
| 173 | K | 89.3 | Confident | 85.8 | Confident | 93 Ų | 93 | 52.1 Ų | 52.1 | 40% | 0.404 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 134.5 | -174.7 | -180 | 171.8 | -177 | 166.9 | 0 | 111.5 | Y161 V175 | Y161-K173 WeakPolarHBondContact CB-O 3.25Å; Y161-K173 WeakPolarHBondContact CD2-O 3.38Å; Y161-K173 PolarHBondContact N-O 2.77Å; Y161-K173 PolarHBondContact O-N 3.04Å; K173-V175 HydrophobicContact CD-CG2 4.15Å; K173-V175 HydrophobicContact CG-CG2 4.1Å |
| 174 | T | 91 | Very high | 86.1 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 135.7 | 166.7 | -50.4 | 0 | 0 | 0 | 0 | 110 | R158 L159 F160 | R158-T174 HydrophobicContact CG-CG2 3.75Å; L159-T174 CarbonylContact O-C 3.57Å; L159-T174 WeakPolarHBondContact O-CA 3.32Å; F160-T174 WeakPolarHBondContact CD2-OG1 3.41Å |
| 175 | V | 91.4 | Very high | 86.4 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 119.4 | 172.3 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | L159 Y161 K173 V177 L195 | L159-V175 PolarHBondContact N-O 2.78Å; L159-V175 PolarHBondContact O-N 2.82Å; Y161-V175 HydrophobicContact CD2-CG2 4.19Å; Y161-V175 HydrophobicContact CE2-CB 4.13Å; Y161-V175 HydrophobicContact CE2-CG2 3.87Å; K173-V175 HydrophobicContact CD-CG2 4.15Å; K173-V175 HydrophobicContact CG-CG2 4.1Å; V175-V177 HydrophobicContact CG1-CG2 4.47Å; V175-L195 HydrophobicContact CG1-CB 4.35Å; V175-L195 HydrophobicContact CG1-CD2 3.89Å |
| 176 | D | 92.7 | Very high | 86.9 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 142.3 | 171.7 | -66.3 | -19.1 | 0 | 0 | 0 | 109.4 | L157 R158 L195 L196 | L157-D176 CarbonylContact O-C 3.59Å; L157-D176 WeakPolarHBondContact O-CA 3.39Å; R158-D176 VanDerWaalsContact CB-OD1 3.24Å; R158-D176 WeakPolarHBondContact CB-OD1 3.26Å; R158-D176 WeakPolarHBondContact CG-OD1 3.29Å; R158-D176 IonicContact CZ-OD1 2.91Å; R158-D176 IonicContact CZ-OD2 3.17Å; R158-D176 IonicContact NE-OD1 3.38Å; R158-D176 PolarHBondContact NE-OD1 2.93Å; R158-D176 IonicContact NE-OD2 3.34Å; R158-D176 IonicContact NH2-OD1 2.74Å; R158-D176 IonicContact NH2-OD2 3.83Å; R158-D176 PolarHBondContact NH2-OD2 2.97Å; D176-L195 CarbonylContact O-C 3.59Å; D176-L195 WeakPolarHBondContact O-CA 3.39Å; D176-L196 HydrophobicContact CB-CB 4.03Å; D176-L196 HydrophobicContact CB-CD1 4.16Å; D176-L196 HydrophobicContact CB-CG 4.41Å; D176-L196 PolarHBondContact O-N 3.41Å |
| 177 | V | 94.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120.6 | -177.8 | -174.2 | 0 | 0 | 0 | 0 | 108 | K156 L157 L159 V175 K194 L195 F210 | K156-V177 CarbonylContact C-O 3.55Å; K156-V177 VanDerWaalsContact CA-O 3.31Å; K156-V177 WeakPolarHBondContact CA-O 3.31Å; L157-V177 HydrophobicContact CB-CB 4.38Å; L157-V177 PolarHBondContact N-O 2.87Å; L157-V177 PolarHBondContact O-N 2.82Å; L159-V177 HydrophobicContact CD1-CG2 4.3Å; V175-V177 HydrophobicContact CG1-CG2 4.47Å; V177-K194 WeakPolarHBondContact CA-O 3.23Å; V177-L195 HydrophobicContact CG2-CD2 3.87Å; V177-F210 HydrophobicContact CG1-CE2 4.08Å; V177-F210 HydrophobicContact CG1-CZ 3.84Å; V177-F210 HydrophobicContact CG2-CZ 4.29Å |
| 178 | Q | 93.5 | Very high | 88.9 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 113.6 | 171 | -178.1 | 66 | 75.7 | 0 | 0 | 109.2 | P121 S155 K156 F180 G193 K194 L196 | P121-Q178 HydrophobicContact CG-CG 4.45Å; S155-Q178 PolarHBondContact O-NE2 2.78Å; S155-Q178 PolarHBondContact OG-NE2 3.45Å; K156-Q178 VanDerWaalsContact CG-OE1 3.22Å; Q178-F180 HydrophobicContact CB-CE2 4.08Å; Q178-F180 HydrophobicContact CG-CD2 4.39Å; Q178-F180 HydrophobicContact CG-CE2 3.63Å; Q178-F180 HydrophobicContact CG-CZ 3.88Å; Q178-F180 VanDerWaalsContact O-CD2 3.26Å; Q178-F180 WeakPolarHBondContact O-CD2 3.27Å; Q178-F180 WeakPolarHBondContact O-CE2 3.43Å; Q178-G193 CarbonylContact O-C 3.59Å; Q178-G193 WeakPolarHBondContact O-CA 3.19Å; Q178-K194 HydrophobicContact CB-CB 4.45Å; Q178-K194 PolarHBondContact N-O 2.93Å; Q178-K194 PolarHBondContact O-N 3.25Å; Q178-L196 HydrophobicContact CB-CD1 4.29Å; Q178-L196 HydrophobicContact CB-CD2 4.26Å; Q178-L196 HydrophobicContact CB-CG 4.36Å |
| 179 | C | 95.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 141.1 | -179.3 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | P121 A122 C124 S155 A192 | P121-C179 WeakPolarHBondContact CA-O 3.25Å; A122-C179 PolarHBondContact N-O 2.87Å; A122-C179 VanDerWaalsContact O-CB 3.27Å; A122-C179 WeakPolarHBondContact O-CB 3.11Å; C124-C179 WeakPolarHBondContact CA-SG 3.3Å; C124-C179 HydrophobicContact CB-CB 4.02Å; C124-C179 WeakPolarHBondContact CB-SG 3.2Å; C124-C179 WeakPolarHBondContact SG-CB 3.24Å; C124-C179 CovalentContact SG-SG 2.04Å; C124-C179 PolarHBondContact SG-SG 3.32Å; S155-C179 WeakPolarHBondContact O-CB 3.45Å; S155-C179 PolarHBondContact O-N 3.22Å; C179-A192 WeakPolarHBondContact CA-O 3.28Å |
| 180 | F | 94.1 | Very high | 91.7 | Very high | 14 Ų | 14 | 58 Ų | 58 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | -6.6 | -177.9 | -77.8 | -84.3 | 0 | 0 | 0 | 114 | H63 N65 A119 P121 Q178 A192 K194 F207 | H63-F180 PolarHBondContact CE1-O 2.79Å; H63-F180 PolarHBondContact ND1-O 2.81Å; N65-F180 HydrophobicContact CB-CB 4.34Å; N65-F180 WeakPolarHBondContact CB-O 3.33Å; N65-F180 PolarHBondContact ND2-O 2.88Å; A119-F180 HydrophobicContact CB-CD1 3.85Å; A119-F180 HydrophobicContact CB-CE1 3.77Å; A119-F180 WeakPolarHBondContact O-CE1 3.13Å; P121-F180 HydrophobicContact CG-CE1 4.44Å; Q178-F180 HydrophobicContact CB-CE2 4.08Å; Q178-F180 HydrophobicContact CG-CD2 4.39Å; Q178-F180 HydrophobicContact CG-CE2 3.63Å; Q178-F180 HydrophobicContact CG-CZ 3.88Å; Q178-F180 VanDerWaalsContact O-CD2 3.26Å; Q178-F180 WeakPolarHBondContact O-CD2 3.27Å; Q178-F180 WeakPolarHBondContact O-CE2 3.43Å; F180-A192 PolarHBondContact N-O 2.04Å; F180-K194 HydrophobicContact CD2-CB 4.33Å; F180-K194 HydrophobicContact CE2-CB 3.71Å; F180-F207 AromaticContact CD2-CE1 3.63Å; F180-F207 HydrophobicContact CD2-CE1 3.63Å; F180-F207 HydrophobicContact CD2-CZ 4.37Å; F180-F207 AromaticContact CE2-CE1 3.84Å; F180-F207 HydrophobicContact CE2-CE1 3.84Å; F180-F207 HydrophobicContact CE2-CZ 4.19Å; F180-F207 HydrophobicContact CG-CE1 4.15Å; F180-F207 HydrophobicContact CZ-CZ 4.5Å |
| 181 | G | 95 | Very high | 93.1 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.5 | 157.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H63 F191 A192 | H63-G181 WeakPolarHBondContact ND1-CA 3.5Å; G181-F191 CarbonylContact O-C 3.59Å; G181-F191 WeakPolarHBondContact O-CA 3.22Å; G181-F191 VanDerWaalsContact O-CB 3.25Å; G181-F191 WeakPolarHBondContact O-CB 3.38Å; G181-A192 PolarHBondContact O-N 2.95Å |
| 182 | S | 96.6 | Very high | 93.8 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 150.6 | 175.4 | 56.6 | 0 | 0 | 0 | 0 | 110.2 | F190 | S182-F190 CarbonylContact C-O 3.49Å; S182-F190 WeakPolarHBondContact CA-O 3.45Å; S182-F190 WeakPolarHBondContact CB-O 3.47Å |
| 183 | W | 96.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 167.8 | 178.8 | 66.2 | 96.6 | 0 | 0 | 0 | 110.5 | K62 V66 F190 A192 | K62-W183 HydrophobicContact CB-CB 4.09Å; K62-W183 HydrophobicContact CB-CD2 3.83Å; K62-W183 HydrophobicContact CB-CE3 4.34Å; K62-W183 HydrophobicContact CB-CG 3.71Å; K62-W183 HydrophobicContact CD-CG 4.26Å; K62-W183 HydrophobicContact CG-CD2 4.4Å; K62-W183 HydrophobicContact CG-CG 4.21Å; K62-W183 WeakPolarHBondContact O-CB 3.21Å; V66-W183 HydrophobicContact CB-CZ3 4.33Å; V66-W183 HydrophobicContact CG1-CH2 4.04Å; V66-W183 HydrophobicContact CG1-CZ3 4.03Å; V66-W183 HydrophobicContact CG2-CZ3 4.03Å; W183-F190 HydrophobicContact CD2-CB 3.85Å; W183-F190 HydrophobicContact CE3-CB 4.39Å; W183-F190 HydrophobicContact CG-CB 4.32Å; W183-F190 HydrophobicContact CH2-CB 4.11Å; W183-F190 HydrophobicContact CZ2-CB 3.54Å; W183-F190 HydrophobicContact CZ2-CG 4.22Å; W183-F190 HydrophobicContact CZ3-CB 4.49Å; W183-F190 PolarHBondContact N-O 3.15Å; W183-F190 AromaticContact NE1-CD2 3.79Å; W183-F190 AromaticContact NE1-CG 3.86Å; W183-F190 PolarHBondContact O-N 2.89Å; W183-A192 HydrophobicContact CH2-CB 4.25Å; W183-A192 HydrophobicContact CZ3-CB 3.9Å |
| 184 | T | 95.5 | Very high | 94.1 | Very high | 80 Ų | 80 | 38.3 Ų | 38.3 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136.3 | 173.4 | -57.9 | 0 | 0 | 0 | 0 | 108.5 | R188 H189 | T184-R188 CarbonylContact C-O 3.54Å; T184-R188 VanDerWaalsContact CA-O 3.27Å; T184-R188 WeakPolarHBondContact CA-O 3.26Å; T184-R188 WeakPolarHBondContact CG2-O 3.49Å; T184-H189 PolarHBondContact OG1-ND1 3.03Å |
| 185 | D | 91.9 | Very high | 94.1 | Very high | 60 Ų | 60 | 35.9 Ų | 35.9 | 32% | 0.321 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 125.9 | 175.5 | -153.7 | 22.5 | 0 | 0 | 0 | 109.3 | K62 G187 R188 F190 | K62-D185 IonicContact NZ-OD1 3.56Å; K62-D185 PolarHBondContact NZ-OD1 3.26Å; K62-D185 IonicContact NZ-OD2 3.68Å; K62-D185 PolarHBondContact NZ-OD2 3.48Å; D185-G187 PolarHBondContact O-N 2.84Å; D185-G187 VanDerWaalsContact O-N 3.17Å; D185-R188 PolarHBondContact N-O 3.45Å; D185-R188 WeakPolarHBondContact O-CB 3.06Å; D185-R188 PolarHBondContact O-N 3.04Å; D185-F190 HydrophobicContact CB-CD2 4.24Å; D185-F190 HydrophobicContact CB-CE2 3.92Å |
| 186 | D | 89.9 | Confident | 93.9 | Very high | 137 Ų | 137 | 37.9 Ų | 37.9 | 73% | 0.733 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 44.6 | -179.6 | -164.2 | 35.1 | 0 | 0 | 0 | 113.9 | R188 | D186-R188 PolarHBondContact O-N 2.67Š|
| 187 | G | 92.4 | Very high | 92.7 | Very high | 66 Ų | 66 | 40.3 Ų | 40.3 | 68% | 0.68 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73 | 2.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | D185 | D185-G187 PolarHBondContact O-N 2.84Å; D185-G187 VanDerWaalsContact O-N 3.17Å |
| 188 | R | 95.3 | Very high | 91.1 | Very high | 107 Ų | 107 | 44.6 Ų | 44.6 | 40% | 0.404 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 144.3 | 175 | -62.9 | 175.5 | -171.3 | 132.7 | 18.9 | 110.4 | T184 D185 D186 F190 I211 V233 | T184-R188 CarbonylContact C-O 3.54Å; T184-R188 VanDerWaalsContact CA-O 3.27Å; T184-R188 WeakPolarHBondContact CA-O 3.26Å; T184-R188 WeakPolarHBondContact CG2-O 3.49Å; D185-R188 PolarHBondContact N-O 3.45Å; D185-R188 WeakPolarHBondContact O-CB 3.06Å; D185-R188 PolarHBondContact O-N 3.04Å; D186-R188 PolarHBondContact O-N 2.67Å; R188-F190 HydrophobicContact CB-CD2 4.43Å; R188-F190 HydrophobicContact CB-CE2 3.59Å; R188-F190 HydrophobicContact CB-CZ 3.94Å; R188-I211 HydrophobicContact CB-CD1 4.29Å; R188-I211 HydrophobicContact CG-CD1 4.46Å; R188-V233 WeakPolarHBondContact CD-O 3.07Å; R188-V233 PolarHBondContact NH1-O 2.81Å |
| 189 | H | 97.1 | Very high | 89 | Confident | 75 Ų | 75 | 49.5 Ų | 49.5 | 35% | 0.347 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.9 | -179.2 | -52.8 | -69.6 | 0 | 0 | 0 | 111.3 | T184 I211 Y212 | T184-H189 PolarHBondContact OG1-ND1 3.03Å; H189-I211 CarbonylContact O-C 3.56Å; H189-I211 WeakPolarHBondContact O-CA 3.13Å; H189-Y212 HydrophobicContact CB-CD1 3.84Å; H189-Y212 HydrophobicContact CB-CD2 4.14Å; H189-Y212 HydrophobicContact CB-CE1 3.38Å; H189-Y212 HydrophobicContact CB-CE2 3.7Å; H189-Y212 HydrophobicContact CB-CG 4.21Å; H189-Y212 VanDerWaalsContact O-CD1 3.3Å; H189-Y212 WeakPolarHBondContact O-CD1 3.43Å; H189-Y212 PolarHBondContact O-N 3.15Å |
| 190 | F | 97.2 | Very high | 86.8 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 8% | 0.083 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 155 | -178 | -61 | -91.8 | 0 | 0 | 0 | 111.4 | S182 W183 D185 R188 F210 I211 | S182-F190 CarbonylContact C-O 3.49Å; S182-F190 WeakPolarHBondContact CA-O 3.45Å; S182-F190 WeakPolarHBondContact CB-O 3.47Å; W183-F190 HydrophobicContact CD2-CB 3.85Å; W183-F190 HydrophobicContact CE3-CB 4.39Å; W183-F190 HydrophobicContact CG-CB 4.32Å; W183-F190 HydrophobicContact CH2-CB 4.11Å; W183-F190 HydrophobicContact CZ2-CB 3.54Å; W183-F190 HydrophobicContact CZ2-CG 4.22Å; W183-F190 HydrophobicContact CZ3-CB 4.49Å; W183-F190 PolarHBondContact N-O 3.15Å; W183-F190 AromaticContact NE1-CD2 3.79Å; W183-F190 AromaticContact NE1-CG 3.86Å; W183-F190 PolarHBondContact O-N 2.89Å; D185-F190 HydrophobicContact CB-CD2 4.24Å; D185-F190 HydrophobicContact CB-CE2 3.92Å; R188-F190 HydrophobicContact CB-CD2 4.43Å; R188-F190 HydrophobicContact CB-CE2 3.59Å; R188-F190 HydrophobicContact CB-CZ 3.94Å; F190-F210 CarbonylContact C-O 3.58Å; F190-F210 WeakPolarHBondContact CA-O 3.37Å; F190-I211 HydrophobicContact CD1-CB 3.93Å; F190-I211 HydrophobicContact CD1-CG1 4.16Å; F190-I211 HydrophobicContact CE1-CB 3.82Å; F190-I211 HydrophobicContact CE1-CD1 3.87Å; F190-I211 HydrophobicContact CE1-CG1 3.82Å; F190-I211 HydrophobicContact CZ-CD1 3.98Å; F190-I211 HydrophobicContact CZ-CG1 4.21Å |
| 191 | F | 97.1 | Very high | 84.7 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 156 | 163.8 | 70.9 | -88.9 | 0 | 0 | 0 | 112.1 | P125 I126 G181 C209 F210 Y212 | P125-F191 HydrophobicContact CG-CB 3.81Å; P125-F191 HydrophobicContact CG-CD1 3.36Å; P125-F191 HydrophobicContact CG-CD2 4.48Å; P125-F191 HydrophobicContact CG-CE1 3.98Å; P125-F191 HydrophobicContact CG-CG 3.65Å; I126-F191 HydrophobicContact CD1-CE1 3.94Å; I126-F191 HydrophobicContact CD1-CZ 4.28Å; I126-F191 HydrophobicContact CG1-CE1 4.36Å; G181-F191 CarbonylContact O-C 3.59Å; G181-F191 WeakPolarHBondContact O-CA 3.22Å; G181-F191 VanDerWaalsContact O-CB 3.25Å; G181-F191 WeakPolarHBondContact O-CB 3.38Å; F191-C209 CarbonylContact O-C 3.42Å; F191-F210 HydrophobicContact CD1-CB 3.51Å; F191-F210 HydrophobicContact CD1-CG 4.28Å; F191-F210 HydrophobicContact CD2-CB 3.99Å; F191-F210 AromaticContact CD2-CD2 3.77Å; F191-F210 HydrophobicContact CD2-CD2 3.77Å; F191-F210 HydrophobicContact CD2-CE2 4.49Å; F191-F210 AromaticContact CD2-CG 4Å; F191-F210 HydrophobicContact CD2-CG 4Å; F191-F210 HydrophobicContact CE1-CB 3.2Å; F191-F210 HydrophobicContact CE1-CD1 4.09Å; F191-F210 HydrophobicContact CE1-CD2 4.46Å; F191-F210 AromaticContact CE1-CG 3.72Å; F191-F210 HydrophobicContact CE1-CG 3.72Å; F191-F210 HydrophobicContact CE2-CB 3.71Å; F191-F210 AromaticContact CE2-CD1 3.86Å; F191-F210 HydrophobicContact CE2-CD1 3.86Å; F191-F210 AromaticContact CE2-CD2 3.34Å; F191-F210 HydrophobicContact CE2-CD2 3.34Å; F191-F210 HydrophobicContact CE2-CE1 4.29Å; F191-F210 AromaticContact CE2-CE2 3.85Å; F191-F210 HydrophobicContact CE2-CE2 3.85Å; F191-F210 AromaticContact CE2-CG 3.37Å; F191-F210 HydrophobicContact CE2-CG 3.37Å; F191-F210 HydrophobicContact CE2-CZ 4.29Å; F191-F210 HydrophobicContact CG-CB 3.9Å; F191-F210 HydrophobicContact CG-CD2 4.48Å; F191-F210 HydrophobicContact CG-CG 4.42Å; F191-F210 HydrophobicContact CZ-CB 3.32Å; F191-F210 AromaticContact CZ-CD1 3.41Å; F191-F210 HydrophobicContact CZ-CD1 3.41Å; F191-F210 VanDerWaalsContact CZ-CD1 3.41Å; F191-F210 AromaticContact CZ-CD2 3.75Å; F191-F210 HydrophobicContact CZ-CD2 3.75Å; F191-F210 HydrophobicContact CZ-CE1 4.08Å; F191-F210 HydrophobicContact CZ-CE2 4.39Å; F191-F210 AromaticContact CZ-CG 3.22Å; F191-F210 HydrophobicContact CZ-CG 3.22Å; F191-F210 PolarHBondContact N-O 3.17Å; F191-F210 PolarHBondContact O-N 3.08Å; F191-Y212 AromaticContact CD1-CD1 3.63Å; F191-Y212 HydrophobicContact CD1-CD1 3.63Å; F191-Y212 AromaticContact CD1-CE1 3.91Å; F191-Y212 HydrophobicContact CD1-CE1 3.91Å; F191-Y212 HydrophobicContact CD1-CG 4.48Å; F191-Y212 HydrophobicContact CE1-CD1 4.15Å |
| 192 | A | 95.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.8 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | V66 F97 C179 F180 G181 W183 | V66-A192 HydrophobicContact CG2-CB 3.66Å; F97-A192 HydrophobicContact CD1-CB 4.11Å; F97-A192 HydrophobicContact CE1-CB 3.58Å; C179-A192 WeakPolarHBondContact CA-O 3.28Å; F180-A192 PolarHBondContact N-O 2.04Å; G181-A192 PolarHBondContact O-N 2.95Å; W183-A192 HydrophobicContact CH2-CB 4.25Å; W183-A192 HydrophobicContact CZ3-CB 3.9Å |
| 193 | G | 93.7 | Very high | 81.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 150.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q178 F207 R208 | Q178-G193 CarbonylContact O-C 3.59Å; Q178-G193 WeakPolarHBondContact O-CA 3.19Å; G193-F207 CarbonylContact O-C 3.43Å; G193-F207 WeakPolarHBondContact O-CA 3.47Å; G193-R208 PolarHBondContact N-O 2.85Å; G193-R208 PolarHBondContact O-N 3.47Å |
| 194 | K | 91.2 | Very high | 79.6 | Confident | 35 Ų | 35 | 68.8 Ų | 68.8 | 15% | 0.152 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.3 | 172.3 | -171.5 | 180 | -177.7 | 179.5 | 0 | 109.1 | V177 Q178 F180 E203 N206 F207 | V177-K194 WeakPolarHBondContact CA-O 3.23Å; Q178-K194 HydrophobicContact CB-CB 4.45Å; Q178-K194 PolarHBondContact N-O 2.93Å; Q178-K194 PolarHBondContact O-N 3.25Å; F180-K194 HydrophobicContact CD2-CB 4.33Å; F180-K194 HydrophobicContact CE2-CB 3.71Å; K194-E203 VanDerWaalsContact CE-O 3.23Å; K194-E203 WeakPolarHBondContact CE-O 3.37Å; K194-E203 IonicContact NZ-OE2 2.84Å; K194-E203 PolarHBondContact NZ-OE2 2.84Å; K194-N206 CarbonylContact C-O 3.56Å; K194-N206 WeakPolarHBondContact CA-O 3.48Å; K194-N206 HydrophobicContact CG-CB 3.91Å; K194-F207 HydrophobicContact CB-CD1 4.18Å; K194-F207 HydrophobicContact CB-CE1 4.07Å; K194-F207 HydrophobicContact CB-CZ 4.38Å; K194-F207 HydrophobicContact CD-CE2 4.31Å; K194-F207 HydrophobicContact CD-CZ 4.3Å |
| 195 | L | 90.6 | Very high | 78.4 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 117.3 | 174.4 | -54.8 | -177.3 | 0 | 0 | 0 | 109.7 | V175 D176 V177 N206 R208 F210 | V175-L195 HydrophobicContact CG1-CB 4.35Å; V175-L195 HydrophobicContact CG1-CD2 3.89Å; D176-L195 CarbonylContact O-C 3.59Å; D176-L195 WeakPolarHBondContact O-CA 3.39Å; V177-L195 HydrophobicContact CG2-CD2 3.87Å; L195-N206 HydrophobicContact CB-CB 4.41Å; L195-N206 WeakPolarHBondContact CG-O 3.44Å; L195-N206 PolarHBondContact N-O 3.17Å; L195-N206 VanDerWaalsContact O-CB 3.28Å; L195-N206 WeakPolarHBondContact O-CB 3.46Å; L195-R208 HydrophobicContact CD1-CG 3.88Å; L195-R208 HydrophobicContact CG-CG 4.05Å; L195-F210 HydrophobicContact CD2-CZ 4.15Å |
| 196 | L | 85.7 | Confident | 78.1 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 154 | 177.2 | -48.8 | 177.4 | 0 | 0 | 0 | 110.5 | D176 Q178 K198 | D176-L196 HydrophobicContact CB-CB 4.03Å; D176-L196 HydrophobicContact CB-CD1 4.16Å; D176-L196 HydrophobicContact CB-CG 4.41Å; D176-L196 PolarHBondContact O-N 3.41Å; Q178-L196 HydrophobicContact CB-CD1 4.29Å; Q178-L196 HydrophobicContact CB-CD2 4.26Å; Q178-L196 HydrophobicContact CB-CG 4.36Å; L196-K198 VanDerWaalsContact C-N 3.3Å; L196-K198 PolarHBondContact O-N 2.86Å |
| 197 | G | 68.9 | Low | 78.1 | Confident | 85 Ų | 85 | 58.7 Ų | 58.7 | 88% | 0.876 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 77.6 | 6.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 198 | K | 60 | Low | 78.1 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 39% | 0.387 | 30% | 0.3 | S | S | . | . | trans | -89.1 | 121.8 | 163.6 | -98.7 | -173.2 | 171 | -170.9 | 0 | 109.2 | L196 S200 N206 | L196-K198 VanDerWaalsContact C-N 3.3Å; L196-K198 PolarHBondContact O-N 2.86Å; K198-S200 PolarHBondContact O-N 2.9Å; K198-N206 WeakPolarHBondContact CB-OD1 3.43Å; K198-N206 PolarHBondContact O-ND2 3.2Å | ||
| 199 | S | 49.1 | Very low | 78.2 | Confident | 126 Ų | 126 | 51.9 Ų | 51.9 | 88% | 0.881 | 28% | 0.281 | S | S | * | . | trans | -71.4 | 71.9 | 163.4 | 62.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 200 | S | 51.1 | Low | 78.2 | Confident | 43 Ų | 43 | 48.3 Ų | 48.3 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | trans | -81.4 | 148 | 163.7 | -81.5 | 0 | 0 | 0 | 0 | 109 | K198 T202 N206 | K198-S200 PolarHBondContact O-N 2.9Å; S200-T202 VanDerWaalsContact CB-O 3.3Å; S200-T202 WeakPolarHBondContact CB-O 3.43Å; S200-T202 PolarHBondContact O-N 2.91Å; S200-T202 VanDerWaalsContact O-N 3.15Å; S200-N206 PolarHBondContact OG-OD1 2.83Å | ||
| 201 | F | 49.5 | Very low | 78.2 | Confident | 218 Ų | 218 | 47.8 Ų | 47.8 | 96% | 0.956 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -58.6 | -24.3 | 176.3 | -72.3 | -82.5 | 0 | 0 | 0 | 112.3 | ||
| 202 | T | 55.7 | Low | 78.2 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 28% | 0.282 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -130.2 | 144 | 174.6 | 76.4 | 0 | 0 | 0 | 0 | 110.8 | S200 W204 D205 | S200-T202 VanDerWaalsContact CB-O 3.3Å; S200-T202 WeakPolarHBondContact CB-O 3.43Å; S200-T202 PolarHBondContact O-N 2.91Å; S200-T202 VanDerWaalsContact O-N 3.15Å; T202-W204 PolarHBondContact O-N 3.39Å; T202-W204 VanDerWaalsContact O-N 3.13Å; T202-W204 VanDerWaalsContact OG1-CD1 3.22Å; T202-D205 PolarHBondContact OG1-OD2 2.85Å |
| 203 | E | 60.9 | Low | 78.3 | Confident | 113 Ų | 113 | 53.7 Ų | 53.7 | 53% | 0.528 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -64 | -17.8 | 179.4 | -70.8 | -153.2 | 166.9 | 0 | 0 | 113.5 | K194 N206 | K194-E203 VanDerWaalsContact CE-O 3.23Å; K194-E203 WeakPolarHBondContact CE-O 3.37Å; K194-E203 IonicContact NZ-OE2 2.84Å; K194-E203 PolarHBondContact NZ-OE2 2.84Å; E203-N206 WeakPolarHBondContact O-CB 3.29Å |
| 204 | W | 64.4 | Low | 78.2 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 27% | 0.265 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -87 | -28.7 | -170.4 | -8 | 109.3 | 0 | 0 | 0 | 112.6 | Y14 T202 N206 F207 | Y14-W204 AromaticContact CD1-CD2 3.88Å; Y14-W204 HydrophobicContact CD1-CD2 3.88Å; Y14-W204 AromaticContact CD1-CE3 3.7Å; Y14-W204 HydrophobicContact CD1-CE3 3.7Å; Y14-W204 HydrophobicContact CD1-CG 4.22Å; Y14-W204 HydrophobicContact CD1-CZ3 4.26Å; Y14-W204 AromaticContact CE1-CD2 3.77Å; Y14-W204 HydrophobicContact CE1-CD2 3.77Å; Y14-W204 AromaticContact CE1-CE3 3.24Å; Y14-W204 HydrophobicContact CE1-CE3 3.24Å; Y14-W204 AromaticContact CE1-CH2 3.96Å; Y14-W204 HydrophobicContact CE1-CH2 3.96Å; Y14-W204 HydrophobicContact CE1-CZ2 4.4Å; Y14-W204 AromaticContact CE1-CZ3 3.35Å; Y14-W204 HydrophobicContact CE1-CZ3 3.35Å; Y14-W204 HydrophobicContact CE2-CE3 4.34Å; Y14-W204 HydrophobicContact CE2-CZ3 4.5Å; Y14-W204 HydrophobicContact CG-CE3 4.44Å; Y14-W204 AromaticContact CZ-CE3 3.68Å; Y14-W204 AromaticContact CZ-CZ3 3.56Å; Y14-W204 WeakPolarHBondContact OH-CZ3 3.44Å; T202-W204 PolarHBondContact O-N 3.39Å; T202-W204 VanDerWaalsContact O-N 3.13Å; T202-W204 VanDerWaalsContact OG1-CD1 3.22Å; W204-N206 PolarHBondContact O-N 3.22Å; W204-F207 PolarHBondContact O-N 2.84Å |
| 205 | D | 70.4 | Confident | 78.2 | Confident | 45 Ų | 45 | 61.9 Ų | 61.9 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -54.5 | -11.4 | 168.6 | -86.6 | -48.7 | 0 | 0 | 0 | 113.6 | D17 T202 R208 | D17-D205 VanDerWaalsContact OD1-OD1 3.1Å; T202-D205 PolarHBondContact OG1-OD2 2.85Å; D205-R208 PolarHBondContact O-NH1 3.08Å; D205-R208 PolarHBondContact O-NH2 2.79Å |
| 206 | N | 84.6 | Confident | 78 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 6% | 0.064 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -93.9 | -10.9 | -179 | -69.6 | -28.9 | 0 | 0 | 0 | 113.8 | K194 L195 K198 S200 E203 W204 | K194-N206 CarbonylContact C-O 3.56Å; K194-N206 WeakPolarHBondContact CA-O 3.48Å; K194-N206 HydrophobicContact CG-CB 3.91Å; L195-N206 HydrophobicContact CB-CB 4.41Å; L195-N206 WeakPolarHBondContact CG-O 3.44Å; L195-N206 PolarHBondContact N-O 3.17Å; L195-N206 VanDerWaalsContact O-CB 3.28Å; L195-N206 WeakPolarHBondContact O-CB 3.46Å; K198-N206 WeakPolarHBondContact CB-OD1 3.43Å; K198-N206 PolarHBondContact O-ND2 3.2Å; S200-N206 PolarHBondContact OG-OD1 2.83Å; E203-N206 WeakPolarHBondContact O-CB 3.29Å; W204-N206 PolarHBondContact O-N 3.22Å |
| 207 | F | 90.5 | Very high | 78 | Confident | 9 Ų | 9 | 69.6 Ų | 69.6 | 4% | 0.039 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 139.2 | 173.9 | -80.9 | -80.5 | 0 | 0 | 0 | 111.7 | F97 F180 G193 K194 W204 S227 | F97-F207 HydrophobicContact CB-CD1 4.21Å; F97-F207 HydrophobicContact CB-CD2 4.46Å; F97-F207 HydrophobicContact CB-CE1 4.14Å; F97-F207 HydrophobicContact CB-CE2 4.4Å; F97-F207 HydrophobicContact CB-CG 4.37Å; F97-F207 HydrophobicContact CB-CZ 4.24Å; F97-F207 AromaticContact CD1-CD1 3.87Å; F97-F207 HydrophobicContact CD1-CD1 3.87Å; F97-F207 HydrophobicContact CD1-CE1 4.28Å; F97-F207 HydrophobicContact CD1-CG 4.4Å; F97-F207 HydrophobicContact CD2-CB 3.73Å; F97-F207 HydrophobicContact CD2-CD1 4.11Å; F97-F207 HydrophobicContact CD2-CD2 4.3Å; F97-F207 AromaticContact CD2-CG 3.8Å; F97-F207 HydrophobicContact CD2-CG 3.8Å; F97-F207 HydrophobicContact CE1-CD1 4.29Å; F97-F207 HydrophobicContact CE2-CB 3.62Å; F97-F207 HydrophobicContact CE2-CD1 4.47Å; F97-F207 HydrophobicContact CE2-CG 4.17Å; F97-F207 HydrophobicContact CG-CB 4.28Å; F97-F207 AromaticContact CG-CD1 3.77Å; F97-F207 HydrophobicContact CG-CD1 3.77Å; F97-F207 HydrophobicContact CG-CD2 4.43Å; F97-F207 HydrophobicContact CG-CE1 4.17Å; F97-F207 AromaticContact CG-CG 3.92Å; F97-F207 HydrophobicContact CG-CG 3.92Å; F97-F207 HydrophobicContact CZ-CB 4.12Å; F180-F207 AromaticContact CD2-CE1 3.63Å; F180-F207 HydrophobicContact CD2-CE1 3.63Å; F180-F207 HydrophobicContact CD2-CZ 4.37Å; F180-F207 AromaticContact CE2-CE1 3.84Å; F180-F207 HydrophobicContact CE2-CE1 3.84Å; F180-F207 HydrophobicContact CE2-CZ 4.19Å; F180-F207 HydrophobicContact CG-CE1 4.15Å; F180-F207 HydrophobicContact CZ-CZ 4.5Å; G193-F207 CarbonylContact O-C 3.43Å; G193-F207 WeakPolarHBondContact O-CA 3.47Å; K194-F207 HydrophobicContact CB-CD1 4.18Å; K194-F207 HydrophobicContact CB-CE1 4.07Å; K194-F207 HydrophobicContact CB-CZ 4.38Å; K194-F207 HydrophobicContact CD-CE2 4.31Å; K194-F207 HydrophobicContact CD-CZ 4.3Å; W204-F207 PolarHBondContact O-N 2.84Å; F207-S227 VanDerWaalsContact O-CA 3.31Å; F207-S227 WeakPolarHBondContact O-CA 3.13Å; F207-S227 WeakPolarHBondContact O-CB 3.35Å; F207-S227 PolarHBondContact O-N 2.8Å |
| 208 | R | 92.8 | Very high | 79.2 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 147.3 | 175.5 | -67.7 | -61.7 | -178.1 | -80.6 | 7.1 | 110.1 | G193 L195 D205 F210 I223 S224 A225 | G193-R208 PolarHBondContact N-O 2.85Å; G193-R208 PolarHBondContact O-N 3.47Å; L195-R208 HydrophobicContact CD1-CG 3.88Å; L195-R208 HydrophobicContact CG-CG 4.05Å; D205-R208 PolarHBondContact O-NH1 3.08Å; D205-R208 PolarHBondContact O-NH2 2.79Å; R208-F210 HydrophobicContact CB-CD2 4.33Å; R208-F210 HydrophobicContact CB-CE2 3.72Å; R208-F210 HydrophobicContact CB-CZ 4.21Å; R208-I223 HydrophobicContact CB-CG2 3.88Å; R208-I223 HydrophobicContact CG-CG2 3.95Å; R208-S224 VanDerWaalsContact CD-O 3.28Å; R208-S224 WeakPolarHBondContact CD-O 3.44Å; R208-S224 WeakPolarHBondContact CD-OG 3.31Å; R208-S224 PolarHBondContact NE-O 2.84Å; R208-A225 PolarHBondContact NE-O 3.39Å; R208-A225 PolarHBondContact NH2-O 3.1Å |
| 209 | C | 95.7 | Very high | 80.9 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.014 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 147.8 | 161.1 | -61.7 | 0 | 0 | 0 | 0 | 109.4 | F191 S224 C229 L232 | F191-C209 CarbonylContact O-C 3.42Å; C209-S224 PolarHBondContact N-OG 3.42Å; C209-S224 PolarHBondContact O-N 3.12Å; C209-S224 PolarHBondContact O-OG 3.47Å; C209-C229 HydrophobicContact CB-CB 3.56Å; C209-C229 WeakPolarHBondContact CB-SG 3.32Å; C209-C229 PolarHBondContact N-SG 3.3Å; C209-C229 WeakPolarHBondContact SG-CB 3.46Å; C209-C229 CovalentContact SG-SG 2.01Å; C209-C229 PolarHBondContact SG-SG 2.71Å; C209-L232 HydrophobicContact CB-CD2 3.87Å; C209-L232 VanDerWaalsContact O-CD2 3.31Å; C209-L232 WeakPolarHBondContact O-CD2 3.38Å |
| 210 | F | 97.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.9 | 177.4 | -64.1 | -106.8 | 0 | 0 | 0 | 108.1 | V177 F190 F191 L195 R208 F221 G222 I223 | V177-F210 HydrophobicContact CG1-CE2 4.08Å; V177-F210 HydrophobicContact CG1-CZ 3.84Å; V177-F210 HydrophobicContact CG2-CZ 4.29Å; F190-F210 CarbonylContact C-O 3.58Å; F190-F210 WeakPolarHBondContact CA-O 3.37Å; F191-F210 HydrophobicContact CD1-CB 3.51Å; F191-F210 HydrophobicContact CD1-CG 4.28Å; F191-F210 HydrophobicContact CD2-CB 3.99Å; F191-F210 AromaticContact CD2-CD2 3.77Å; F191-F210 HydrophobicContact CD2-CD2 3.77Å; F191-F210 HydrophobicContact CD2-CE2 4.49Å; F191-F210 AromaticContact CD2-CG 4Å; F191-F210 HydrophobicContact CD2-CG 4Å; F191-F210 HydrophobicContact CE1-CB 3.2Å; F191-F210 HydrophobicContact CE1-CD1 4.09Å; F191-F210 HydrophobicContact CE1-CD2 4.46Å; F191-F210 AromaticContact CE1-CG 3.72Å; F191-F210 HydrophobicContact CE1-CG 3.72Å; F191-F210 HydrophobicContact CE2-CB 3.71Å; F191-F210 AromaticContact CE2-CD1 3.86Å; F191-F210 HydrophobicContact CE2-CD1 3.86Å; F191-F210 AromaticContact CE2-CD2 3.34Å; F191-F210 HydrophobicContact CE2-CD2 3.34Å; F191-F210 HydrophobicContact CE2-CE1 4.29Å; F191-F210 AromaticContact CE2-CE2 3.85Å; F191-F210 HydrophobicContact CE2-CE2 3.85Å; F191-F210 AromaticContact CE2-CG 3.37Å; F191-F210 HydrophobicContact CE2-CG 3.37Å; F191-F210 HydrophobicContact CE2-CZ 4.29Å; F191-F210 HydrophobicContact CG-CB 3.9Å; F191-F210 HydrophobicContact CG-CD2 4.48Å; F191-F210 HydrophobicContact CG-CG 4.42Å; F191-F210 HydrophobicContact CZ-CB 3.32Å; F191-F210 AromaticContact CZ-CD1 3.41Å; F191-F210 HydrophobicContact CZ-CD1 3.41Å; F191-F210 VanDerWaalsContact CZ-CD1 3.41Å; F191-F210 AromaticContact CZ-CD2 3.75Å; F191-F210 HydrophobicContact CZ-CD2 3.75Å; F191-F210 HydrophobicContact CZ-CE1 4.08Å; F191-F210 HydrophobicContact CZ-CE2 4.39Å; F191-F210 AromaticContact CZ-CG 3.22Å; F191-F210 HydrophobicContact CZ-CG 3.22Å; F191-F210 PolarHBondContact N-O 3.17Å; F191-F210 PolarHBondContact O-N 3.08Å; L195-F210 HydrophobicContact CD2-CZ 4.15Å; R208-F210 HydrophobicContact CB-CD2 4.33Å; R208-F210 HydrophobicContact CB-CE2 3.72Å; R208-F210 HydrophobicContact CB-CZ 4.21Å; F210-F221 AromaticContact CD1-CD2 3.88Å; F210-F221 HydrophobicContact CD1-CD2 3.88Å; F210-F221 HydrophobicContact CD1-CE2 4.06Å; F210-F221 HydrophobicContact CE1-CD2 4.44Å; F210-F221 HydrophobicContact CE1-CE2 4.17Å; F210-G222 CarbonylContact C-O 3.57Å; F210-G222 WeakPolarHBondContact CA-O 3.14Å; F210-I223 HydrophobicContact CD1-CB 4.38Å; F210-I223 HydrophobicContact CD1-CD1 4.31Å; F210-I223 HydrophobicContact CD1-CG1 3.77Å; F210-I223 HydrophobicContact CD1-CG2 4.27Å; F210-I223 HydrophobicContact CE1-CB 4.31Å; F210-I223 HydrophobicContact CE1-CD1 3.68Å; F210-I223 HydrophobicContact CE1-CG1 3.64Å; F210-I223 HydrophobicContact CE1-CG2 3.91Å; F210-I223 HydrophobicContact CZ-CD1 4.48Å; F210-I223 HydrophobicContact CZ-CG2 4.07Å |
| 211 | I | 97.6 | Very high | 85.4 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.7 | 168.6 | -174.1 | 174.9 | 0 | 0 | 0 | 107.7 | R188 H189 F190 F221 G222 L232 M235 | R188-I211 HydrophobicContact CB-CD1 4.29Å; R188-I211 HydrophobicContact CG-CD1 4.46Å; H189-I211 CarbonylContact O-C 3.56Å; H189-I211 WeakPolarHBondContact O-CA 3.13Å; F190-I211 HydrophobicContact CD1-CB 3.93Å; F190-I211 HydrophobicContact CD1-CG1 4.16Å; F190-I211 HydrophobicContact CE1-CB 3.82Å; F190-I211 HydrophobicContact CE1-CD1 3.87Å; F190-I211 HydrophobicContact CE1-CG1 3.82Å; F190-I211 HydrophobicContact CZ-CD1 3.98Å; F190-I211 HydrophobicContact CZ-CG1 4.21Å; I211-F221 CarbonylContact O-C 3.45Å; I211-F221 WeakPolarHBondContact O-CA 3.43Å; I211-F221 VanDerWaalsContact O-CB 3.26Å; I211-F221 WeakPolarHBondContact O-CB 3.36Å; I211-G222 PolarHBondContact N-O 3.17Å; I211-G222 PolarHBondContact O-N 2.93Å; I211-L232 HydrophobicContact CB-CD2 4.21Å; I211-L232 HydrophobicContact CB-CG 4.29Å; I211-L232 HydrophobicContact CG2-CD1 3.8Å; I211-L232 HydrophobicContact CG2-CD2 4.24Å; I211-L232 HydrophobicContact CG2-CG 4.07Å; I211-M235 HydrophobicContact CG2-CE 4.34Å; I211-M235 HydrophobicContact CG2-SD 4.23Å |
| 212 | Y | 97.5 | Very high | 87.6 | Confident | 36 Ų | 36 | 45.9 Ų | 45.9 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 146.3 | -175.9 | 70.1 | -81.9 | 0 | 0 | 0 | 113.2 | P125 H189 F191 V214 S220 | P125-Y212 HydrophobicContact CB-CE1 4.04Å; P125-Y212 HydrophobicContact CB-CE2 3.95Å; P125-Y212 WeakPolarHBondContact CB-OH 3.45Å; P125-Y212 HydrophobicContact CG-CD1 4.34Å; P125-Y212 HydrophobicContact CG-CE1 3.76Å; P125-Y212 HydrophobicContact CG-CE2 4.4Å; H189-Y212 HydrophobicContact CB-CD1 3.84Å; H189-Y212 HydrophobicContact CB-CD2 4.14Å; H189-Y212 HydrophobicContact CB-CE1 3.38Å; H189-Y212 HydrophobicContact CB-CE2 3.7Å; H189-Y212 HydrophobicContact CB-CG 4.21Å; H189-Y212 VanDerWaalsContact O-CD1 3.3Å; H189-Y212 WeakPolarHBondContact O-CD1 3.43Å; H189-Y212 PolarHBondContact O-N 3.15Å; F191-Y212 AromaticContact CD1-CD1 3.63Å; F191-Y212 HydrophobicContact CD1-CD1 3.63Å; F191-Y212 AromaticContact CD1-CE1 3.91Å; F191-Y212 HydrophobicContact CD1-CE1 3.91Å; F191-Y212 HydrophobicContact CD1-CG 4.48Å; F191-Y212 HydrophobicContact CE1-CD1 4.15Å; Y212-V214 HydrophobicContact CD2-CB 4.32Å; Y212-V214 HydrophobicContact CD2-CG2 4.28Å; Y212-S220 WeakPolarHBondContact CA-O 3.5Å |
| 213 | D | 96.5 | Very high | 89.5 | Confident | 89 Ų | 89 | 44.2 Ų | 44.2 | 48% | 0.476 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 95.2 | 165.6 | -179.4 | 5.4 | 0 | 0 | 0 | 106.4 | R215 G219 S220 | D213-R215 IonicContact OD1-NE 2.76Å; D213-G219 CarbonylContact O-C 3.55Å; D213-G219 VanDerWaalsContact O-CA 3.3Å; D213-G219 WeakPolarHBondContact O-CA 3.49Å; D213-S220 PolarHBondContact N-O 2.88Å; D213-S220 PolarHBondContact O-N 3.36Å |
| 214 | V | 93.5 | Very high | 91.1 | Very high | 36 Ų | 36 | 39.2 Ų | 39.2 | 22% | 0.218 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.5 | -171 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | I126 Y212 L244 F246 | I126-V214 HydrophobicContact CD1-CG2 4.33Å; I126-V214 HydrophobicContact CG1-CG2 4.32Å; Y212-V214 HydrophobicContact CD2-CB 4.32Å; Y212-V214 HydrophobicContact CD2-CG2 4.28Å; V214-L244 HydrophobicContact CG1-CD1 4.34Å; V214-L244 HydrophobicContact CG2-CD2 4.16Å; V214-F246 HydrophobicContact CG1-CE2 3.36Å; V214-F246 HydrophobicContact CG1-CZ 3.59Å |
| 215 | R | 91.1 | Very high | 92.3 | Very high | 172 Ų | 172 | 38 Ų | 38 | 65% | 0.649 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 175.4 | -178.7 | -57.3 | -176.8 | -174.7 | -163.2 | 0.4 | 109.7 | D213 N217 G218 F246 | D213-R215 IonicContact OD1-NE 2.76Å; R215-N217 PolarHBondContact O-N 3.08Å; R215-N217 VanDerWaalsContact O-N 3.13Å; R215-G218 PolarHBondContact N-O 3.11Å; R215-G218 PolarHBondContact O-N 3.44Å; R215-G218 VanDerWaalsContact O-O 3.09Å; R215-F246 WeakPolarHBondContact O-CD2 3.49Å; R215-F246 WeakPolarHBondContact O-CE2 3.44Å |
| 216 | S | 85.1 | Confident | 93.3 | Very high | 119 Ų | 119 | 39.5 Ų | 39.5 | 83% | 0.832 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.9 | -175.7 | 51.9 | 0 | 0 | 0 | 0 | 115 | ||
| 217 | N | 86.9 | Confident | 93.5 | Very high | 117 Ų | 117 | 39 Ų | 39 | 63% | 0.626 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -11.1 | 179 | 63.5 | -20 | 0 | 0 | 0 | 113.9 | R215 | R215-N217 PolarHBondContact O-N 3.08Å; R215-N217 VanDerWaalsContact O-N 3.13Å |
| 218 | G | 93.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.9 | -158.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R215 L244 | R215-G218 PolarHBondContact N-O 3.11Å; R215-G218 PolarHBondContact O-N 3.44Å; R215-G218 VanDerWaalsContact O-O 3.09Å; G218-L244 CarbonylContact C-O 3.56Å; G218-L244 VanDerWaalsContact CA-O 3.26Å; G218-L244 WeakPolarHBondContact CA-O 3.2Å |
| 219 | G | 95.7 | Very high | 93.3 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 27% | 0.268 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 155 | -151.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D213 L244 | D213-G219 CarbonylContact O-C 3.55Å; D213-G219 VanDerWaalsContact O-CA 3.3Å; D213-G219 WeakPolarHBondContact O-CA 3.49Å; G219-L244 PolarHBondContact N-O 2.71Å; G219-L244 PolarHBondContact O-N 2.8Å |
| 220 | S | 96.5 | Very high | 93 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 149.8 | -179.4 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | Y212 D213 M235 I242 N243 | Y212-S220 WeakPolarHBondContact CA-O 3.5Å; D213-S220 PolarHBondContact N-O 2.88Å; D213-S220 PolarHBondContact O-N 3.36Å; S220-M235 WeakPolarHBondContact O-CE 3.39Å; S220-I242 CarbonylContact C-O 3.56Å; S220-I242 WeakPolarHBondContact CA-O 3.15Å; S220-I242 WeakPolarHBondContact CB-O 3.19Å; S220-N243 PolarHBondContact OG-OD1 3.22Å |
| 221 | F | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 149 | 164.6 | 69 | -92.2 | 0 | 0 | 0 | 112 | I126 F130 L159 F210 I211 I223 M235 I242 L244 | I126-F221 HydrophobicContact CD1-CB 4.03Å; I126-F221 HydrophobicContact CD1-CD1 3.42Å; I126-F221 VanDerWaalsContact CD1-CD1 3.42Å; I126-F221 HydrophobicContact CD1-CE1 3.91Å; I126-F221 HydrophobicContact CD1-CG 3.76Å; F130-F221 HydrophobicContact CE2-CE1 4.38Å; L159-F221 HydrophobicContact CD1-CE2 4.4Å; L159-F221 HydrophobicContact CD1-CZ 4.1Å; L159-F221 HydrophobicContact CD2-CZ 4.13Å; F210-F221 AromaticContact CD1-CD2 3.88Å; F210-F221 HydrophobicContact CD1-CD2 3.88Å; F210-F221 HydrophobicContact CD1-CE2 4.06Å; F210-F221 HydrophobicContact CE1-CD2 4.44Å; F210-F221 HydrophobicContact CE1-CE2 4.17Å; I211-F221 CarbonylContact O-C 3.45Å; I211-F221 WeakPolarHBondContact O-CA 3.43Å; I211-F221 VanDerWaalsContact O-CB 3.26Å; I211-F221 WeakPolarHBondContact O-CB 3.36Å; F221-I223 HydrophobicContact CD2-CG1 4.22Å; F221-I223 HydrophobicContact CE2-CD1 4.15Å; F221-I223 HydrophobicContact CE2-CG1 4.15Å; F221-M235 VanDerWaalsContact C-SD 3.51Å; F221-I242 HydrophobicContact CD1-CB 4.1Å; F221-I242 HydrophobicContact CD1-CG2 4.04Å; F221-I242 HydrophobicContact CD2-CB 4.29Å; F221-I242 HydrophobicContact CD2-CD1 4.41Å; F221-I242 HydrophobicContact CE1-CB 3.81Å; F221-I242 HydrophobicContact CE1-CD1 4.23Å; F221-I242 HydrophobicContact CE1-CG2 3.45Å; F221-I242 VanDerWaalsContact CE1-CG2 3.45Å; F221-I242 HydrophobicContact CE2-CB 4.03Å; F221-I242 HydrophobicContact CE2-CD1 3.46Å; F221-I242 VanDerWaalsContact CE2-CD1 3.46Å; F221-I242 HydrophobicContact CE2-CG1 4.15Å; F221-I242 HydrophobicContact CE2-CG2 4.47Å; F221-I242 HydrophobicContact CG-CB 4.34Å; F221-I242 HydrophobicContact CZ-CB 3.78Å; F221-I242 HydrophobicContact CZ-CD1 3.34Å; F221-I242 HydrophobicContact CZ-CG1 4.08Å; F221-I242 HydrophobicContact CZ-CG2 3.71Å; F221-I242 PolarHBondContact N-O 2.91Å; F221-I242 PolarHBondContact O-N 2.92Å; F221-L244 HydrophobicContact CD1-CD2 3.55Å; F221-L244 HydrophobicContact CE1-CD2 3.69Å |
| 222 | G | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 148.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F210 I211 M235 A238 K240 | F210-G222 CarbonylContact C-O 3.57Å; F210-G222 WeakPolarHBondContact CA-O 3.14Å; I211-G222 PolarHBondContact N-O 3.17Å; I211-G222 PolarHBondContact O-N 2.93Å; G222-M235 PolarHBondContact N-SD 3.36Å; G222-A238 VanDerWaalsContact CA-CB 3.44Å; G222-K240 CarbonylContact C-O 3.56Å; G222-K240 VanDerWaalsContact CA-O 3.31Å; G222-K240 WeakPolarHBondContact CA-O 3.41Å |
| 223 | I | 95.5 | Very high | 91.9 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.7 | 179.4 | -42.5 | -175.5 | 0 | 0 | 0 | 109.2 | R208 F210 F221 V239 K240 I242 | R208-I223 HydrophobicContact CB-CG2 3.88Å; R208-I223 HydrophobicContact CG-CG2 3.95Å; F210-I223 HydrophobicContact CD1-CB 4.38Å; F210-I223 HydrophobicContact CD1-CD1 4.31Å; F210-I223 HydrophobicContact CD1-CG1 3.77Å; F210-I223 HydrophobicContact CD1-CG2 4.27Å; F210-I223 HydrophobicContact CE1-CB 4.31Å; F210-I223 HydrophobicContact CE1-CD1 3.68Å; F210-I223 HydrophobicContact CE1-CG1 3.64Å; F210-I223 HydrophobicContact CE1-CG2 3.91Å; F210-I223 HydrophobicContact CZ-CD1 4.48Å; F210-I223 HydrophobicContact CZ-CG2 4.07Å; F221-I223 HydrophobicContact CD2-CG1 4.22Å; F221-I223 HydrophobicContact CE2-CD1 4.15Å; F221-I223 HydrophobicContact CE2-CG1 4.15Å; I223-V239 WeakPolarHBondContact O-CG2 3.36Å; I223-V239 PolarHBondContact O-N 3.26Å; I223-K240 HydrophobicContact CB-CB 4.34Å; I223-K240 HydrophobicContact CD1-CB 4.45Å; I223-K240 HydrophobicContact CD1-CD 4.05Å; I223-K240 HydrophobicContact CD1-CG 4.49Å; I223-K240 HydrophobicContact CG1-CB 4.41Å; I223-K240 PolarHBondContact N-O 2.86Å; I223-I242 HydrophobicContact CD1-CD1 4.26Å |
| 224 | S | 94.7 | Very high | 91.7 | Very high | 8 Ų | 8 | 48 Ų | 48 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | trans | -66.6 | 161.1 | 172.9 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | R208 C209 D226 V239 | R208-S224 VanDerWaalsContact CD-O 3.28Å; R208-S224 WeakPolarHBondContact CD-O 3.44Å; R208-S224 WeakPolarHBondContact CD-OG 3.31Å; R208-S224 PolarHBondContact NE-O 2.84Å; C209-S224 PolarHBondContact N-OG 3.42Å; C209-S224 PolarHBondContact O-N 3.12Å; C209-S224 PolarHBondContact O-OG 3.47Å; S224-D226 WeakPolarHBondContact CB-O 3.11Å; S224-D226 PolarHBondContact OG-O 3.37Å; S224-V239 WeakPolarHBondContact O-CG2 3.1Å | ||
| 225 | A | 89.9 | Confident | 91.7 | Very high | 43 Ų | 43 | 48.6 Ų | 48.6 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -65.1 | -45.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R208 V239 | R208-A225 PolarHBondContact NE-O 3.39Å; R208-A225 PolarHBondContact NH2-O 3.1Å; A225-V239 HydrophobicContact CB-CG1 3.67Å; A225-V239 HydrophobicContact CB-CG2 4.33Å |
| 226 | D | 89.9 | Confident | 91.8 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -142.5 | -173.1 | -171.4 | 55.6 | 35.2 | 0 | 0 | 0 | 110.7 | S224 G228 C229 | S224-D226 WeakPolarHBondContact CB-O 3.11Å; S224-D226 PolarHBondContact OG-O 3.37Å; D226-G228 PolarHBondContact O-N 2.92Å; D226-G228 WeakPolarHBondContact OD1-CA 3.23Å; D226-G228 PolarHBondContact OD1-N 2.74Å; D226-C229 PolarHBondContact OD1-N 3.26Å |
| 227 | S | 89 | Confident | 92.2 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -7.7 | 176.4 | 44.1 | 0 | 0 | 0 | 0 | 113.5 | N16 F97 F207 C229 | N16-S227 WeakPolarHBondContact CA-OG 3.4Å; F97-S227 VanDerWaalsContact CE2-O 3.22Å; F97-S227 WeakPolarHBondContact CE2-O 2.96Å; F207-S227 VanDerWaalsContact O-CA 3.31Å; F207-S227 WeakPolarHBondContact O-CA 3.13Å; F207-S227 WeakPolarHBondContact O-CB 3.35Å; F207-S227 PolarHBondContact O-N 2.8Å; S227-C229 VanDerWaalsContact C-N 3.34Å; S227-C229 PolarHBondContact O-SG 3.09Å |
| 228 | G | 88.9 | Confident | 92.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -30.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | N16 T95 D226 I230 | N16-G228 WeakPolarHBondContact OD1-CA 3.42Å; N16-G228 PolarHBondContact OD1-N 2.87Å; T95-G228 PolarHBondContact OG1-O 2.92Å; D226-G228 PolarHBondContact O-N 2.92Å; D226-G228 WeakPolarHBondContact OD1-CA 3.23Å; D226-G228 PolarHBondContact OD1-N 2.74Å; G228-I230 PolarHBondContact O-N 3.04Å |
| 229 | C | 91.3 | Very high | 92.6 | Very high | 13 Ų | 13 | 42 Ų | 42 | 9% | 0.088 | 23% | 0.234 | C | C | . | . | trans | 58.9 | 11.5 | 179.8 | -48.7 | 0 | 0 | 0 | 0 | 114.4 | C209 D226 S227 E231 L232 | C209-C229 HydrophobicContact CB-CB 3.56Å; C209-C229 WeakPolarHBondContact CB-SG 3.32Å; C209-C229 PolarHBondContact N-SG 3.3Å; C209-C229 WeakPolarHBondContact SG-CB 3.46Å; C209-C229 CovalentContact SG-SG 2.01Å; C209-C229 PolarHBondContact SG-SG 2.71Å; D226-C229 PolarHBondContact OD1-N 3.26Å; S227-C229 VanDerWaalsContact C-N 3.34Å; S227-C229 PolarHBondContact O-SG 3.09Å; C229-E231 VanDerWaalsContact C-N 3.31Å; C229-E231 PolarHBondContact O-N 3.25Å; C229-L232 PolarHBondContact O-N 3.34Å | ||
| 230 | I | 88.2 | Confident | 92.5 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 37% | 0.369 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -40.2 | -170.2 | -64.4 | 168.2 | 0 | 0 | 0 | 111.2 | H92 G228 | H92-I230 HydrophobicContact CB-CG2 4.18Å; G228-I230 PolarHBondContact O-N 3.04Å |
| 231 | E | 85.9 | Confident | 92.4 | Very high | 129 Ų | 129 | 46.5 Ų | 46.5 | 60% | 0.603 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.6 | -176.2 | -60.3 | -176.8 | 164.9 | 0 | 0 | 113.4 | C229 V233 S237 | C229-E231 VanDerWaalsContact C-N 3.31Å; C229-E231 PolarHBondContact O-N 3.25Å; E231-V233 VanDerWaalsContact C-N 3.3Å; E231-V233 PolarHBondContact O-N 2.92Å; E231-S237 WeakPolarHBondContact O-CB 3.3Å; E231-S237 PolarHBondContact O-OG 2.86Å |
| 232 | L | 93 | Very high | 92.4 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | trans | -85.9 | 70.3 | -171.6 | -165.7 | 72 | 0 | 0 | 0 | 111.6 | C209 I211 C229 A238 | C209-L232 HydrophobicContact CB-CD2 3.87Å; C209-L232 VanDerWaalsContact O-CD2 3.31Å; C209-L232 WeakPolarHBondContact O-CD2 3.38Å; I211-L232 HydrophobicContact CB-CD2 4.21Å; I211-L232 HydrophobicContact CB-CG 4.29Å; I211-L232 HydrophobicContact CG2-CD1 3.8Å; I211-L232 HydrophobicContact CG2-CD2 4.24Å; I211-L232 HydrophobicContact CG2-CG 4.07Å; C229-L232 PolarHBondContact O-N 3.34Å; L232-A238 HydrophobicContact CD1-CB 3.59Å | ||
| 233 | V | 90.9 | Very high | 92.4 | Very high | 81 Ų | 81 | 50 Ų | 50 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -93.3 | -28.9 | 177.9 | -63.6 | 0 | 0 | 0 | 0 | 113 | R188 E231 S237 | R188-V233 WeakPolarHBondContact CD-O 3.07Å; R188-V233 PolarHBondContact NH1-O 2.81Å; E231-V233 VanDerWaalsContact C-N 3.3Å; E231-V233 PolarHBondContact O-N 2.92Å; V233-S237 PolarHBondContact N-OG 3.13Å |
| 234 | D | 92.6 | Very high | 92.4 | Very high | 55 Ų | 55 | 49.7 Ų | 49.7 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -148 | 176.9 | 178.1 | 69.2 | 46.1 | 0 | 0 | 0 | 111.9 | K236 S237 | D234-K236 VanDerWaalsContact C-N 3.28Å; D234-K236 PolarHBondContact O-N 2.73Å; D234-K236 VanDerWaalsContact OD1-CA 3.29Å; D234-K236 WeakPolarHBondContact OD1-CA 3.27Å; D234-K236 VanDerWaalsContact OD1-CB 3.27Å; D234-K236 WeakPolarHBondContact OD1-CB 3.24Å; D234-K236 PolarHBondContact OD1-N 3.2Å; D234-S237 PolarHBondContact N-OG 2.84Å; D234-S237 PolarHBondContact O-N 2.04Å; D234-S237 PolarHBondContact O-OG 3.24Å; D234-S237 VanDerWaalsContact O-OG 3.07Å; D234-S237 PolarHBondContact OD1-N 2.82Å |
| 235 | M | 94.3 | Very high | 92.5 | Very high | 48 Ų | 48 | 53.7 Ų | 53.7 | 24% | 0.236 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -32.5 | -178.9 | -169 | 64.2 | 67.7 | 0 | 0 | 112.6 | I211 S220 F221 G222 A238 R241 | I211-M235 HydrophobicContact CG2-CE 4.34Å; I211-M235 HydrophobicContact CG2-SD 4.23Å; S220-M235 WeakPolarHBondContact O-CE 3.39Å; F221-M235 VanDerWaalsContact C-SD 3.51Å; G222-M235 PolarHBondContact N-SD 3.36Å; M235-A238 WeakPolarHBondContact O-CB 3.44Å; M235-A238 PolarHBondContact O-N 3.35Å; M235-R241 WeakPolarHBondContact O-CD 3.07Å; M235-R241 VanDerWaalsContact O-CG 3.3Å; M235-R241 WeakPolarHBondContact O-CG 3.44Å |
| 236 | K | 92.6 | Very high | 92.6 | Very high | 177 Ų | 177 | 53.8 Ų | 53.8 | 77% | 0.77 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -32 | -176.6 | -60.5 | 178.3 | -179.6 | 176.2 | 0 | 111.4 | D234 A238 | D234-K236 VanDerWaalsContact C-N 3.28Å; D234-K236 PolarHBondContact O-N 2.73Å; D234-K236 VanDerWaalsContact OD1-CA 3.29Å; D234-K236 WeakPolarHBondContact OD1-CA 3.27Å; D234-K236 VanDerWaalsContact OD1-CB 3.27Å; D234-K236 WeakPolarHBondContact OD1-CB 3.24Å; D234-K236 PolarHBondContact OD1-N 3.2Å; K236-A238 PolarHBondContact O-N 3.47Å |
| 237 | S | 93.3 | Very high | 92.4 | Very high | 38 Ų | 38 | 52.7 Ų | 52.7 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -8.8 | 177.8 | 76 | 0 | 0 | 0 | 0 | 113.7 | E231 V233 D234 V239 | E231-S237 WeakPolarHBondContact O-CB 3.3Å; E231-S237 PolarHBondContact O-OG 2.86Å; V233-S237 PolarHBondContact N-OG 3.13Å; D234-S237 PolarHBondContact N-OG 2.84Å; D234-S237 PolarHBondContact O-N 2.04Å; D234-S237 PolarHBondContact O-OG 3.24Å; D234-S237 VanDerWaalsContact O-OG 3.07Å; D234-S237 PolarHBondContact OD1-N 2.82Å; S237-V239 PolarHBondContact O-N 2.77Å |
| 238 | A | 95.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 59.3 Ų | 59.3 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | trans | -65 | 131.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G222 L232 M235 K236 K240 R241 | G222-A238 VanDerWaalsContact CA-CB 3.44Å; L232-A238 HydrophobicContact CD1-CB 3.59Å; M235-A238 WeakPolarHBondContact O-CB 3.44Å; M235-A238 PolarHBondContact O-N 3.35Å; K236-A238 PolarHBondContact O-N 3.47Å; A238-K240 PolarHBondContact O-N 3.48Å; A238-R241 HydrophobicContact CB-CG 4.03Å | ||
| 239 | V | 93.9 | Very high | 91 | Very high | 53 Ų | 53 | 61.4 Ų | 61.4 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -68.9 | -26.3 | 178.1 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | T136 I223 S224 A225 S237 | T136-V239 WeakPolarHBondContact CA-O 3.28Å; I223-V239 WeakPolarHBondContact O-CG2 3.36Å; I223-V239 PolarHBondContact O-N 3.26Å; S224-V239 WeakPolarHBondContact O-CG2 3.1Å; A225-V239 HydrophobicContact CB-CG1 3.67Å; A225-V239 HydrophobicContact CB-CG2 4.33Å; S237-V239 PolarHBondContact O-N 2.77Å |
| 240 | K | 92.4 | Very high | 90.2 | Very high | 54 Ų | 54 | 62.2 Ų | 62.2 | 24% | 0.235 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.1 | 171.5 | -173.7 | 179.2 | -65.6 | -168.2 | 0 | 108.3 | S135 T136 Y161 G222 I223 A238 I242 | S135-K240 CarbonylContact O-C 3.58Å; S135-K240 WeakPolarHBondContact O-CA 3.4Å; T136-K240 HydrophobicContact CG2-CG 4.21Å; Y161-K240 HydrophobicContact CE1-CD 3.82Å; Y161-K240 WeakPolarHBondContact OH-CD 3.34Å; Y161-K240 PolarHBondContact OH-NZ 3.19Å; G222-K240 CarbonylContact C-O 3.56Å; G222-K240 VanDerWaalsContact CA-O 3.31Å; G222-K240 WeakPolarHBondContact CA-O 3.41Å; I223-K240 HydrophobicContact CB-CB 4.34Å; I223-K240 HydrophobicContact CD1-CB 4.45Å; I223-K240 HydrophobicContact CD1-CD 4.05Å; I223-K240 HydrophobicContact CD1-CG 4.49Å; I223-K240 HydrophobicContact CG1-CB 4.41Å; I223-K240 PolarHBondContact N-O 2.86Å; A238-K240 PolarHBondContact O-N 3.48Å; K240-I242 HydrophobicContact CD-CD1 4.38Å; K240-I242 HydrophobicContact CG-CG1 4.48Å |
| 241 | R | 95.7 | Very high | 89.3 | Confident | 98 Ų | 98 | 60.7 Ų | 60.7 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.4 | 174.6 | -72.7 | 174.4 | -97.9 | 130.5 | -5.2 | 109 | Y134 S135 M235 A238 | Y134-R241 CarbonylContact C-O 3.51Å; Y134-R241 VanDerWaalsContact CA-O 3.25Å; Y134-R241 WeakPolarHBondContact CA-O 3.32Å; S135-R241 PolarHBondContact N-O 2.83Å; S135-R241 PolarHBondContact O-N 3.24Å; M235-R241 WeakPolarHBondContact O-CD 3.07Å; M235-R241 VanDerWaalsContact O-CG 3.3Å; M235-R241 WeakPolarHBondContact O-CG 3.44Å; A238-R241 HydrophobicContact CB-CG 4.03Å |
| 242 | I | 95.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.4 | 178.8 | -70.1 | 178.5 | 0 | 0 | 0 | 107.6 | F132 T133 L159 Y161 S220 F221 I223 K240 | F132-I242 HydrophobicContact CB-CG2 3.66Å; F132-I242 HydrophobicContact CD2-CD1 4.38Å; F132-I242 HydrophobicContact CD2-CG1 4.3Å; F132-I242 HydrophobicContact CD2-CG2 3.61Å; F132-I242 HydrophobicContact CE2-CD1 4.16Å; F132-I242 HydrophobicContact CE2-CG1 4.44Å; F132-I242 HydrophobicContact CE2-CG2 4.42Å; F132-I242 HydrophobicContact CG-CG2 3.76Å; T133-I242 WeakPolarHBondContact O-CA 3.28Å; L159-I242 HydrophobicContact CD1-CD1 4.22Å; Y161-I242 HydrophobicContact CE1-CD1 4.2Å; Y161-I242 WeakPolarHBondContact OH-CD1 3.45Å; S220-I242 CarbonylContact C-O 3.56Å; S220-I242 WeakPolarHBondContact CA-O 3.15Å; S220-I242 WeakPolarHBondContact CB-O 3.19Å; F221-I242 HydrophobicContact CD1-CB 4.1Å; F221-I242 HydrophobicContact CD1-CG2 4.04Å; F221-I242 HydrophobicContact CD2-CB 4.29Å; F221-I242 HydrophobicContact CD2-CD1 4.41Å; F221-I242 HydrophobicContact CE1-CB 3.81Å; F221-I242 HydrophobicContact CE1-CD1 4.23Å; F221-I242 HydrophobicContact CE1-CG2 3.45Å; F221-I242 VanDerWaalsContact CE1-CG2 3.45Å; F221-I242 HydrophobicContact CE2-CB 4.03Å; F221-I242 HydrophobicContact CE2-CD1 3.46Å; F221-I242 VanDerWaalsContact CE2-CD1 3.46Å; F221-I242 HydrophobicContact CE2-CG1 4.15Å; F221-I242 HydrophobicContact CE2-CG2 4.47Å; F221-I242 HydrophobicContact CG-CB 4.34Å; F221-I242 HydrophobicContact CZ-CB 3.78Å; F221-I242 HydrophobicContact CZ-CD1 3.34Å; F221-I242 HydrophobicContact CZ-CG1 4.08Å; F221-I242 HydrophobicContact CZ-CG2 3.71Å; F221-I242 PolarHBondContact N-O 2.91Å; F221-I242 PolarHBondContact O-N 2.92Å; I223-I242 HydrophobicContact CD1-CD1 4.26Å; K240-I242 HydrophobicContact CD-CD1 4.38Å; K240-I242 HydrophobicContact CG-CG1 4.48Å |
| 243 | N | 96.5 | Very high | 88 | Confident | 75 Ų | 75 | 63.2 Ų | 63.2 | 40% | 0.401 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.8 | 171.7 | -65 | -33.1 | 0 | 0 | 0 | 107.5 | F132 T133 S220 | F132-N243 CarbonylContact C-O 3.59Å; F132-N243 WeakPolarHBondContact CA-O 3.49Å; F132-N243 WeakPolarHBondContact CB-O 3.37Å; T133-N243 PolarHBondContact N-O 2.79Å; T133-N243 PolarHBondContact O-N 2.79Å; S220-N243 PolarHBondContact OG-OD1 3.22Å |
| 244 | L | 96.5 | Very high | 87.8 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 149.4 | -173.4 | 70 | 92.9 | 0 | 0 | 0 | 112 | I126 F130 N131 F132 V214 G218 G219 F221 F246 | I126-L244 HydrophobicContact CG2-CD2 4.4Å; F130-L244 HydrophobicContact CB-CB 4.27Å; F130-L244 HydrophobicContact CB-CD1 4.14Å; F130-L244 HydrophobicContact CD2-CB 3.61Å; F130-L244 HydrophobicContact CD2-CD2 4.29Å; F130-L244 HydrophobicContact CD2-CG 4.37Å; F130-L244 HydrophobicContact CE2-CB 4.23Å; F130-L244 HydrophobicContact CE2-CD2 4.31Å; F130-L244 HydrophobicContact CG-CB 4.17Å; F130-L244 HydrophobicContact CG-CD1 4.31Å; N131-L244 CarbonylContact O-C 3.48Å; N131-L244 VanDerWaalsContact O-CA 3.27Å; N131-L244 WeakPolarHBondContact O-CA 3.46Å; F132-L244 HydrophobicContact CB-CB 4.02Å; V214-L244 HydrophobicContact CG1-CD1 4.34Å; V214-L244 HydrophobicContact CG2-CD2 4.16Å; G218-L244 CarbonylContact C-O 3.56Å; G218-L244 VanDerWaalsContact CA-O 3.26Å; G218-L244 WeakPolarHBondContact CA-O 3.2Å; G219-L244 PolarHBondContact N-O 2.71Å; G219-L244 PolarHBondContact O-N 2.8Å; F221-L244 HydrophobicContact CD1-CD2 3.55Å; F221-L244 HydrophobicContact CE1-CD2 3.69Å; L244-F246 HydrophobicContact CD1-CD1 4.49Å; L244-F246 HydrophobicContact CD1-CD2 4Å; L244-F246 HydrophobicContact CD1-CE1 4.25Å; L244-F246 HydrophobicContact CD1-CE2 3.74Å; L244-F246 HydrophobicContact CD1-CG 4.36Å; L244-F246 HydrophobicContact CD1-CZ 3.88Å |
| 245 | T | 95.9 | Very high | 87.3 | Confident | 92 Ų | 92 | 61.4 Ų | 61.4 | 56% | 0.564 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.1 | 170.4 | -50.1 | 0 | 0 | 0 | 0 | 107.4 | F130 N131 T247 | F130-T245 VanDerWaalsContact CA-O 3.29Å; F130-T245 WeakPolarHBondContact CA-O 3.17Å; F130-T245 WeakPolarHBondContact CB-O 3.42Å; N131-T245 PolarHBondContact N-O 2.99Å; N131-T245 PolarHBondContact O-N 2.82Å; T245-T247 PolarHBondContact O-N 2.99Å |
| 246 | F | 92.5 | Very high | 86.5 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 20% | 0.197 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 135.4 | 178.8 | -75.3 | -70 | 0 | 0 | 0 | 110.3 | I126 S127 H129 F130 V214 R215 L244 | I126-F246 HydrophobicContact CG2-CE1 4.48Å; I126-F246 HydrophobicContact CG2-CZ 4.26Å; S127-F246 WeakPolarHBondContact O-CE1 3.38Å; H129-F246 WeakPolarHBondContact O-CA 3.44Å; H129-F246 WeakPolarHBondContact O-CD1 3.32Å; F130-F246 HydrophobicContact CB-CD1 3.87Å; F130-F246 HydrophobicContact CB-CE1 4.27Å; F130-F246 HydrophobicContact CB-CG 4.48Å; F130-F246 HydrophobicContact CD1-CD1 4.32Å; F130-F246 AromaticContact CD1-CE1 3.98Å; F130-F246 HydrophobicContact CD1-CE1 3.98Å; F130-F246 HydrophobicContact CG-CE1 4.49Å; V214-F246 HydrophobicContact CG1-CE2 3.36Å; V214-F246 HydrophobicContact CG1-CZ 3.59Å; R215-F246 WeakPolarHBondContact O-CD2 3.49Å; R215-F246 WeakPolarHBondContact O-CE2 3.44Å; L244-F246 HydrophobicContact CD1-CD1 4.49Å; L244-F246 HydrophobicContact CD1-CD2 4Å; L244-F246 HydrophobicContact CD1-CE1 4.25Å; L244-F246 HydrophobicContact CD1-CE2 3.74Å; L244-F246 HydrophobicContact CD1-CG 4.36Å; L244-F246 HydrophobicContact CD1-CZ 3.88Å |
| 247 | T | 87 | Confident | 85.1 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | trans | -92 | 139.7 | 170.1 | 54.6 | 0 | 0 | 0 | 0 | 108.5 | H129 N131 T245 S249 | H129-T247 VanDerWaalsContact CB-OG1 3.23Å; H129-T247 WeakPolarHBondContact CB-OG1 3.48Å; H129-T247 PolarHBondContact O-N 2.79Å; H129-T247 PolarHBondContact O-OG1 2.83Å; N131-T247 HydrophobicContact CB-CG2 4.37Å; T245-T247 PolarHBondContact O-N 2.99Å; T247-S249 PolarHBondContact O-N 2.02Å; T247-S249 VanDerWaalsContact O-N 3.15Å | ||
| 248 | T | 76 | Confident | 83.5 | Confident | 142 Ų | 142 | 62.4 Ų | 62.4 | 87% | 0.871 | 34% | 0.342 | S | S | * | . | trans | -68.3 | 113.2 | 174.9 | 44.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 249 | S | 72.3 | Confident | 81.8 | Confident | 43 Ų | 43 | 63 Ų | 63 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -63 | 153.2 | 164.2 | -52.9 | 0 | 0 | 0 | 0 | 109.9 | H129 T247 G251 | H129-S249 PolarHBondContact CD2-OG 3.26Å; H129-S249 VanDerWaalsContact CD2-OG 3.26Å; T247-S249 PolarHBondContact O-N 2.02Å; T247-S249 VanDerWaalsContact O-N 3.15Å; S249-G251 PolarHBondContact O-N 2.93Å |
| 250 | P | 73.3 | Confident | 80.3 | Confident | 31 Ų | 31 | 61 Ų | 61 | 20% | 0.201 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 129.9 | 170.9 | -21.3 | 33.2 | 0 | 0 | 0 | 109.7 | R303 I305 Y319 Y328 | P250-R303 WeakPolarHBondContact O-CD 3.31Å; P250-I305 HydrophobicContact CB-CD1 3.57Å; P250-I305 HydrophobicContact CG-CD1 4.45Å; P250-Y319 HydrophobicContact CG-CD2 4.02Å; P250-Y319 HydrophobicContact CG-CE2 4.41Å; P250-Y319 HydrophobicContact CG-CG 4.07Å; P250-Y328 HydrophobicContact CG-CE1 4.23Å; P250-Y328 WeakPolarHBondContact CG-OH 3.44Å |
| 251 | G | 70 | Confident | 78.6 | Confident | 39 Ų | 39 | 62.6 Ų | 62.6 | 40% | 0.402 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 156.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S249 D253 | S249-G251 PolarHBondContact O-N 2.93Å; G251-D253 PolarHBondContact O-N 2.62Å |
| 252 | P | 71.6 | Confident | 76.9 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 38% | 0.383 | 34% | 0.34 | S | S | . | . | trans | -72.3 | 114.8 | 172.9 | 29.6 | -31.1 | 0 | 0 | 0 | 109.6 | H287 R303 C304 | P252-H287 HydrophobicContact CB-CB 3.62Å; P252-H287 HydrophobicContact CG-CB 4.29Å; P252-R303 HydrophobicContact CB-CG 4Å; P252-C304 WeakPolarHBondContact CA-O 3.38Å | ||
| 253 | D | 80.1 | Confident | 74.9 | Confident | 134 Ų | 134 | 70.2 Ų | 70.2 | 72% | 0.717 | 38% | 0.378 | S | S | * | . | trans | -102.9 | 0.1 | -179.4 | -78.2 | -19.6 | 0 | 0 | 0 | 112.6 | G251 C304 I305 | G251-D253 PolarHBondContact O-N 2.62Å; D253-C304 PolarHBondContact N-O 3.31Å; D253-I305 VanDerWaalsContact CB-O 3.27Å; D253-I305 WeakPolarHBondContact CB-O 3.44Å | ||
| 254 | C | 86.3 | Confident | 73 | Confident | 18 Ų | 18 | 71.1 Ų | 71.1 | 12% | 0.122 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -139.7 | 150.6 | 173.5 | 51.2 | 0 | 0 | 0 | 0 | 114.7 | H287 C304 I305 E306 | C254-H287 PolarHBondContact O-CD2 3.24Å; C254-C304 HydrophobicContact CB-CB 4.27Å; C254-C304 WeakPolarHBondContact CB-SG 3.47Å; C254-C304 WeakPolarHBondContact O-CB 3.22Å; C254-C304 VanDerWaalsContact SG-CA 3.57Å; C254-C304 WeakPolarHBondContact SG-CB 3.33Å; C254-C304 CovalentContact SG-SG 2.03Å; C254-C304 PolarHBondContact SG-SG 3.13Å; C254-I305 PolarHBondContact SG-N 3.25Å; C254-I305 PolarHBondContact SG-O 3.02Å; C254-E306 VanDerWaalsContact SG-CA 3.55Å; C254-E306 PolarHBondContact SG-N 2.78Å |
| 255 | L | 82.3 | Confident | 70.9 | Confident | 81 Ų | 81 | 79.9 Ų | 79.9 | 42% | 0.424 | 42% | 0.418 | S | S | . | . | trans | -88.8 | 127.7 | 169.6 | -73.7 | 168.4 | 0 | 0 | 0 | 109.3 | K257 P286 H287 | L255-K257 HydrophobicContact CB-CB 4.16Å; L255-K257 HydrophobicContact CB-CD 4.34Å; L255-K257 HydrophobicContact CB-CG 4.05Å; L255-K257 HydrophobicContact CD1-CD 3.95Å; L255-K257 PolarHBondContact O-N 3Å; L255-P286 WeakPolarHBondContact CA-O 3.4Å; L255-P286 HydrophobicContact CD2-CB 4.47Å; L255-H287 VanDerWaalsContact CD2-NE2 3.29Å; L255-H287 WeakPolarHBondContact CD2-NE2 3.06Å | ||
| 256 | M | 78 | Confident | 69 | Low | 5 Ų | 5 | 83.8 Ų | 83.8 | 3% | 0.025 | 44% | 0.435 | C | S | . | . | trans | -74.4 | 22.5 | 171.1 | -74.5 | 169.2 | 66.8 | 0 | 0 | 112.4 | Q258 F260 F284 P286 D288 L289 C304 | M256-Q258 PolarHBondContact O-N 3.2Å; M256-F260 HydrophobicContact CB-CD2 4.26Å; M256-F260 HydrophobicContact CB-CE2 3.82Å; M256-F260 HydrophobicContact CE-CE2 4.02Å; M256-F260 HydrophobicContact CE-CZ 4.39Å; M256-F260 WeakPolarHBondContact O-CD2 3.02Å; M256-F260 WeakPolarHBondContact O-CE2 3.06Å; M256-F284 HydrophobicContact CE-CB 3.9Å; M256-F284 HydrophobicContact CE-CD1 3.41Å; M256-F284 VanDerWaalsContact CE-CD1 3.41Å; M256-F284 HydrophobicContact CE-CE1 4.41Å; M256-F284 HydrophobicContact CE-CG 4.13Å; M256-P286 PolarHBondContact N-O 2.9Å; M256-D288 VanDerWaalsContact CE-C 3.5Å; M256-D288 WeakPolarHBondContact CE-O 3.15Å; M256-D288 PolarHBondContact SD-N 3.02Å; M256-L289 HydrophobicContact CE-CB 3.63Å; M256-C304 HydrophobicContact CG-CB 3.74Å; M256-C304 HydrophobicContact SD-CB 3.97Å | ||
| 257 | K | 62 | Low | 67.1 | Low | 150 Ų | 150 | 89.7 Ų | 89.7 | 65% | 0.652 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 87.9 | -176.2 | -79.8 | -173.6 | -174.6 | 172.8 | 0 | 110.3 | L255 | L255-K257 HydrophobicContact CB-CB 4.16Å; L255-K257 HydrophobicContact CB-CD 4.34Å; L255-K257 HydrophobicContact CB-CG 4.05Å; L255-K257 HydrophobicContact CD1-CD 3.95Å; L255-K257 PolarHBondContact O-N 3Å |
| 258 | Q | 61.3 | Low | 65.8 | Low | 129 Ų | 129 | 91.7 Ų | 91.7 | 60% | 0.603 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -161.3 | -8.2 | 146.5 | -68.5 | -147 | 2.9 | 0 | 0 | 115 | M256 N309 | M256-Q258 PolarHBondContact O-N 3.2Å; Q258-N309 PolarHBondContact NE2-ND2 3.1Å; Q258-N309 PolarHBondContact OE1-ND2 2.79Å |
| 259 | W | 58.9 | Low | 65.2 | Low | 17 Ų | 17 | 87.1 Ų | 87.1 | 6% | 0.064 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -120.1 | -5.7 | -160.6 | -56.3 | 100.8 | 0 | 0 | 0 | 114.4 | W273 T314 I333 K335 I341 | W259-W273 PolarHBondContact O-NE1 2.98Å; W259-T314 HydrophobicContact CZ2-CG2 4.45Å; W259-T314 WeakPolarHBondContact CZ2-OG1 3.43Å; W259-I333 HydrophobicContact CD2-CG2 4.15Å; W259-I333 HydrophobicContact CE3-CG2 3.74Å; W259-I333 HydrophobicContact CH2-CG2 4.2Å; W259-I333 HydrophobicContact CZ3-CG2 3.72Å; W259-K335 HydrophobicContact CH2-CB 3.94Å; W259-K335 HydrophobicContact CZ3-CB 3.61Å; W259-K335 HydrophobicContact CZ3-CD 4.48Å; W259-K335 HydrophobicContact CZ3-CG 4.2Å; W259-I341 HydrophobicContact CE3-CG2 4.38Å; W259-I341 HydrophobicContact CZ3-CG2 4.42Å |
| 260 | F | 61.1 | Low | 65 | Low | 12 Ų | 12 | 93.7 Ų | 93.7 | 5% | 0.053 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -130.7 | -5.1 | -157 | -48.7 | -50.5 | 0 | 0 | 0 | 116.1 | M256 R271 W273 F284 | M256-F260 HydrophobicContact CB-CD2 4.26Å; M256-F260 HydrophobicContact CB-CE2 3.82Å; M256-F260 HydrophobicContact CE-CE2 4.02Å; M256-F260 HydrophobicContact CE-CZ 4.39Å; M256-F260 WeakPolarHBondContact O-CD2 3.02Å; M256-F260 WeakPolarHBondContact O-CE2 3.06Å; F260-R271 PolarHBondContact O-N 3.35Å; F260-W273 AromaticContact CD1-NE1 3.75Å; F260-F284 HydrophobicContact CB-CB 4.2Å; F260-F284 HydrophobicContact CD1-CB 3.11Å; F260-F284 HydrophobicContact CD1-CD1 4.13Å; F260-F284 AromaticContact CD1-CD2 3.37Å; F260-F284 HydrophobicContact CD1-CD2 3.37Å; F260-F284 HydrophobicContact CD1-CE2 4.1Å; F260-F284 AromaticContact CD1-CG 3.36Å; F260-F284 HydrophobicContact CD1-CG 3.36Å; F260-F284 HydrophobicContact CD2-CB 3.3Å; F260-F284 HydrophobicContact CD2-CD1 4.47Å; F260-F284 HydrophobicContact CD2-CG 4.12Å; F260-F284 HydrophobicContact CE1-CB 3.13Å; F260-F284 AromaticContact CE1-CD1 3.19Å; F260-F284 HydrophobicContact CE1-CD1 3.19Å; F260-F284 AromaticContact CE1-CD2 2.92Å; F260-F284 HydrophobicContact CE1-CD2 2.92Å; F260-F284 AromaticContact CE1-CE1 3.55Å; F260-F284 HydrophobicContact CE1-CE1 3.55Å; F260-F284 AromaticContact CE1-CE2 3.31Å; F260-F284 HydrophobicContact CE1-CE2 3.31Å; F260-F284 AromaticContact CE1-CG 2.83Å; F260-F284 HydrophobicContact CE1-CG 2.83Å; F260-F284 AromaticContact CE1-CZ 3.59Å; F260-F284 HydrophobicContact CE1-CZ 3.59Å; F260-F284 HydrophobicContact CE2-CB 3.28Å; F260-F284 AromaticContact CE2-CD1 3.58Å; F260-F284 HydrophobicContact CE2-CD1 3.58Å; F260-F284 HydrophobicContact CE2-CE1 4.35Å; F260-F284 AromaticContact CE2-CG 3.66Å; F260-F284 HydrophobicContact CE2-CG 3.66Å; F260-F284 HydrophobicContact CG-CB 3.2Å; F260-F284 HydrophobicContact CG-CD2 4.37Å; F260-F284 AromaticContact CG-CG 3.98Å; F260-F284 HydrophobicContact CG-CG 3.98Å; F260-F284 HydrophobicContact CZ-CB 3.18Å; F260-F284 AromaticContact CZ-CD1 2.81Å; F260-F284 HydrophobicContact CZ-CD1 2.81Å; F260-F284 AromaticContact CZ-CD2 3.6Å; F260-F284 HydrophobicContact CZ-CD2 3.6Å; F260-F284 AromaticContact CZ-CE1 3.26Å; F260-F284 HydrophobicContact CZ-CE1 3.26Å; F260-F284 AromaticContact CZ-CE2 3.97Å; F260-F284 HydrophobicContact CZ-CE2 3.97Å; F260-F284 AromaticContact CZ-CG 2.97Å; F260-F284 HydrophobicContact CZ-CG 2.97Å; F260-F284 AromaticContact CZ-CZ 3.81Å; F260-F284 HydrophobicContact CZ-CZ 3.81Å |
| 261 | T | 58.2 | Low | 65.3 | Low | 87 Ų | 87 | 94.1 Ų | 94.1 | 53% | 0.534 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 113.2 | -178.8 | 45.4 | 0 | 0 | 0 | 0 | 109.2 | V268 | T261-V268 HydrophobicContact CG2-CG1 3.41Å; T261-V268 VanDerWaalsContact CG2-CG1 3.41Å |
| 262 | R | 58.7 | Low | 66.2 | Low | 73 Ų | 73 | 93.8 Ų | 93.8 | 28% | 0.275 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 118.3 | 163.4 | -174.6 | 179.5 | 166.1 | -171.3 | -3.5 | 106.4 | H264 A269 R271 | R262-H264 HydrophobicContact CG-CB 4.31Å; R262-H264 PolarHBondContact NH2-CD2 3.04Å; R262-H264 PolarHBondContact NH2-NE2 3.5Å; R262-H264 PolarHBondContact O-N 3.47Å; R262-A269 PolarHBondContact N-O 3Å; R262-A269 VanDerWaalsContact N-O 3.17Å; R262-A269 PolarHBondContact O-N 3.46Å; R262-R271 HydrophobicContact CB-CG 4.38Å |
| 263 | K | 55.1 | Low | 67.1 | Low | 185 Ų | 185 | 91 Ų | 91 | 80% | 0.804 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 112.5 | 160.7 | -75.8 | -171.7 | 176.4 | -174.9 | 0 | 107 | V268 | K263-V268 HydrophobicContact CG-CG2 4.4Å |
| 264 | H | 55.6 | Low | 67.7 | Low | 94 Ų | 94 | 87.5 Ų | 87.5 | 44% | 0.435 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 112.7 | 171 | -162.7 | -96.1 | 0 | 0 | 0 | 109.7 | R262 D266 K267 | R262-H264 HydrophobicContact CG-CB 4.31Å; R262-H264 PolarHBondContact NH2-CD2 3.04Å; R262-H264 PolarHBondContact NH2-NE2 3.5Å; R262-H264 PolarHBondContact O-N 3.47Å; H264-D266 PolarHBondContact O-N 2.85Å; H264-K267 PolarHBondContact N-O 3.25Å; H264-K267 VanDerWaalsContact N-O 3.08Å; H264-K267 PolarHBondContact O-N 2.95Å |
| 265 | K | 52 | Low | 68.1 | Low | 188 Ų | 188 | 87 Ų | 87 | 82% | 0.817 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.3 | 60.6 | 176 | -60.9 | -174.7 | 178.2 | -176.2 | 0 | 112.7 | K267 | K265-K267 VanDerWaalsContact C-N 3.3Å; K265-K267 PolarHBondContact O-N 3.38Å |
| 266 | D | 56.6 | Low | 68.5 | Low | 175 Ų | 175 | 88.3 Ų | 88.3 | 94% | 0.936 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 1.6 | -179.8 | -62.7 | -34.5 | 0 | 0 | 0 | 119 | H264 | H264-D266 PolarHBondContact O-N 2.85Š|
| 267 | K | 52.3 | Low | 68.9 | Low | 169 Ų | 169 | 94.2 Ų | 94.2 | 74% | 0.735 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.7 | 167.3 | -70.7 | -175.9 | 179.2 | -179.5 | 0 | 110.7 | H264 K265 A269 | H264-K267 PolarHBondContact N-O 3.25Å; H264-K267 VanDerWaalsContact N-O 3.08Å; H264-K267 PolarHBondContact O-N 2.95Å; K265-K267 VanDerWaalsContact C-N 3.3Å; K265-K267 PolarHBondContact O-N 3.38Å; K267-A269 PolarHBondContact O-N 2.91Å |
| 268 | V | 60.4 | Low | 70.2 | Confident | 94 Ų | 94 | 89.9 Ų | 89.9 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 101.2 | 169.5 | 178.8 | 0 | 0 | 0 | 0 | 107.3 | T261 K263 | T261-V268 HydrophobicContact CG2-CG1 3.41Å; T261-V268 VanDerWaalsContact CG2-CG1 3.41Å; K263-V268 HydrophobicContact CG-CG2 4.4Å |
| 269 | A | 62.9 | Low | 71.4 | Confident | 47 Ų | 47 | 84.8 Ų | 84.8 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 138.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | R262 K267 | R262-A269 PolarHBondContact N-O 3Å; R262-A269 VanDerWaalsContact N-O 3.17Å; R262-A269 PolarHBondContact O-N 3.46Å; K267-A269 PolarHBondContact O-N 2.91Å |
| 270 | R | 69.1 | Low | 73.1 | Confident | 181 Ų | 181 | 86.8 Ų | 86.8 | 68% | 0.683 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 126.4 | 171.8 | -72.2 | -179.4 | -179.8 | 150.2 | -0.7 | 108.4 | ||
| 271 | R | 79.5 | Confident | 74.7 | Confident | 39 Ų | 39 | 87.1 Ų | 87.1 | 15% | 0.147 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 138 | 172 | -72.2 | -177.6 | 160.6 | -172.8 | -10.3 | 110.4 | F260 R262 A338 D373 | F260-R271 PolarHBondContact O-N 3.35Å; R262-R271 HydrophobicContact CB-CG 4.38Å; R271-A338 PolarHBondContact NH1-O 2.81Å; R271-A338 PolarHBondContact NH2-O 3.02Å; R271-D373 VanDerWaalsContact CD-OD2 3.29Å; R271-D373 WeakPolarHBondContact CD-OD2 3.32Å; R271-D373 IonicContact CZ-OD2 3.92Å; R271-D373 IonicContact NE-OD2 3.22Å; R271-D373 PolarHBondContact NE-OD2 3.35Å; R271-D373 IonicContact NH2-OD2 2.69Å |
| 272 | V | 87.7 | Confident | 76.3 | Confident | 32 Ų | 32 | 83 Ų | 83 | 19% | 0.194 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.8 | 168.1 | 179.2 | 0 | 0 | 0 | 0 | 106.5 | T281 S374 | V272-T281 HydrophobicContact CG1-CG2 3.27Å; V272-S374 PolarHBondContact O-N 2.74Å; V272-S374 PolarHBondContact O-OG 3.01Å |
| 273 | W | 90.9 | Very high | 77.9 | Confident | 2 Ų | 2 | 84.5 Ų | 84.5 | 1% | 0.008 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132 | -177.7 | -68 | 96.6 | 0 | 0 | 0 | 108.9 | W259 F260 T281 Y282 F284 W339 I341 L371 I372 D373 | W259-W273 PolarHBondContact O-NE1 2.98Å; F260-W273 AromaticContact CD1-NE1 3.75Å; W273-T281 CarbonylContact O-C 3.59Å; W273-T281 WeakPolarHBondContact O-CA 3.24Å; W273-Y282 PolarHBondContact N-O 3.3Å; W273-Y282 PolarHBondContact O-N 2.83Å; W273-F284 HydrophobicContact CB-CE2 4.48Å; W273-F284 AromaticContact CD1-CD2 3.76Å; W273-F284 AromaticContact CD1-CE2 3.68Å; W273-F284 HydrophobicContact CG-CE2 4.22Å; W273-W339 VanDerWaalsContact CZ3-O 3.31Å; W273-W339 WeakPolarHBondContact CZ3-O 3.47Å; W273-I341 HydrophobicContact CD2-CD1 3.73Å; W273-I341 HydrophobicContact CD2-CG1 4.18Å; W273-I341 HydrophobicContact CE3-CD1 3.86Å; W273-I341 HydrophobicContact CE3-CG1 3.76Å; W273-I341 HydrophobicContact CG-CD1 4.25Å; W273-I341 HydrophobicContact CH2-CB 4.44Å; W273-I341 HydrophobicContact CH2-CD1 4.21Å; W273-I341 HydrophobicContact CH2-CG1 4.17Å; W273-I341 HydrophobicContact CH2-CG2 3.61Å; W273-I341 HydrophobicContact CZ2-CD1 4.07Å; W273-I341 HydrophobicContact CZ2-CG2 4.13Å; W273-I341 HydrophobicContact CZ3-CB 4.29Å; W273-I341 HydrophobicContact CZ3-CD1 4.09Å; W273-I341 HydrophobicContact CZ3-CG1 3.75Å; W273-I341 HydrophobicContact CZ3-CG2 3.92Å; W273-L371 HydrophobicContact CB-CB 4.1Å; W273-L371 HydrophobicContact CB-CD1 4.34Å; W273-L371 HydrophobicContact CE3-CB 4.13Å; W273-I372 CarbonylContact C-O 3.53Å; W273-I372 VanDerWaalsContact CA-O 3.3Å; W273-I372 WeakPolarHBondContact CA-O 3.49Å; W273-D373 HydrophobicContact CE3-CB 4.48Å; W273-D373 HydrophobicContact CZ3-CB 4.3Å |
| 274 | L | 93.1 | Very high | 79.4 | Confident | 60 Ų | 60 | 76 Ų | 76 | 31% | 0.314 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.5 | 178.9 | -61.3 | 172 | 0 | 0 | 0 | 109.2 | T281 L371 I372 | L274-T281 HydrophobicContact CD2-CG2 4.44Å; L274-L371 CarbonylContact O-C 3.57Å; L274-L371 VanDerWaalsContact O-CA 3.26Å; L274-L371 WeakPolarHBondContact O-CA 3.14Å; L274-I372 HydrophobicContact CB-CG1 4.09Å; L274-I372 PolarHBondContact N-O 2.91Å; L274-I372 PolarHBondContact O-N 3.41Å |
| 275 | S | 93.7 | Very high | 80.9 | Confident | 6 Ų | 6 | 74.2 Ų | 74.2 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 131.8 | 171.8 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | M277 D278 G279 F280 E369 | S275-M277 PolarHBondContact O-N 3.11Å; S275-M277 PolarHBondContact OG-N 2.96Å; S275-D278 WeakPolarHBondContact CB-OD1 3.25Å; S275-D278 PolarHBondContact OG-OD1 3.21Å; S275-D278 VanDerWaalsContact OG-OD1 3.04Å; S275-G279 WeakPolarHBondContact O-CA 3.4Å; S275-G279 PolarHBondContact O-N 3.19Å; S275-F280 PolarHBondContact N-O 2.79Å; S275-E369 VanDerWaalsContact CB-OE1 3.24Å; S275-E369 WeakPolarHBondContact CB-OE1 3.29Å; S275-E369 WeakPolarHBondContact OG-CG 3.46Å; S275-E369 PolarHBondContact OG-OE1 2.92Å |
| 276 | L | 90.8 | Very high | 82.5 | Confident | 109 Ų | 109 | 68.4 Ų | 68.4 | 57% | 0.571 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -12.5 | 173.5 | -67.7 | -178.9 | 0 | 0 | 0 | 113.1 | T370 I372 | L276-T370 HydrophobicContact CD1-CG2 3.75Å; L276-T370 HydrophobicContact CG-CG2 4.5Å; L276-T370 PolarHBondContact N-O 3.02Å; L276-I372 HydrophobicContact CD1-CG2 3.92Å; L276-I372 HydrophobicContact CD2-CD1 3.72Å; L276-I372 HydrophobicContact CD2-CG1 3.98Å; L276-I372 HydrophobicContact CD2-CG2 4.16Å; L276-I372 HydrophobicContact CG-CG1 4.44Å; L276-I372 HydrophobicContact CG-CG2 4.04Å |
| 277 | M | 87.4 | Confident | 84 | Confident | 130 Ų | 130 | 63.2 Ų | 63.2 | 64% | 0.64 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -49.1 | -173.2 | -65.7 | -118.9 | -65.3 | 0 | 0 | 112.9 | S275 E369 | S275-M277 PolarHBondContact O-N 3.11Å; S275-M277 PolarHBondContact OG-N 2.96Å; M277-E369 HydrophobicContact CG-CG 4.49Å |
| 278 | D | 88.3 | Confident | 85.8 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -7.5 | -173.3 | 54 | 24.5 | 0 | 0 | 0 | 113 | S275 F280 H294 | S275-D278 WeakPolarHBondContact CB-OD1 3.25Å; S275-D278 PolarHBondContact OG-OD1 3.21Å; S275-D278 VanDerWaalsContact OG-OD1 3.04Å; D278-F280 HydrophobicContact CB-CD1 4.33Å; D278-F280 HydrophobicContact CB-CD2 4.23Å; D278-F280 HydrophobicContact CB-CE1 4.38Å; D278-F280 HydrophobicContact CB-CE2 4.28Å; D278-F280 HydrophobicContact CB-CG 4.26Å; D278-F280 HydrophobicContact CB-CZ 4.36Å; D278-F280 VanDerWaalsContact CG-CG 3.46Å; D278-F280 PolarHBondContact O-N 2.98Å; D278-F280 WeakPolarHBondContact OD1-CB 3.09Å; D278-F280 VanDerWaalsContact OD1-CG 3.29Å; D278-F280 WeakPolarHBondContact OD1-CG 3.1Å; D278-F280 PolarHBondContact OD1-N 2.91Å; D278-F280 WeakPolarHBondContact OD2-CD2 3.29Å; D278-F280 WeakPolarHBondContact OD2-CE2 3.36Å; D278-H294 PolarHBondContact O-NE2 2.79Å |
| 279 | G | 87.3 | Confident | 87.3 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 24% | 0.237 | 27% | 0.266 | C | S | . | . | trans | 71.9 | 15.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | S275 H294 | S275-G279 WeakPolarHBondContact O-CA 3.4Å; S275-G279 PolarHBondContact O-N 3.19Å; G279-H294 PolarHBondContact O-CE1 2.83Å | ||
| 280 | F | 94.6 | Very high | 88.8 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 25% | 0.254 | 25% | 0.252 | S | S | . | . | trans | -68.4 | 151.3 | 172.9 | -65.7 | -13.9 | 0 | 0 | 0 | 111.9 | S275 D278 Y282 V291 Q292 N293 V299 | S275-F280 PolarHBondContact N-O 2.79Å; D278-F280 HydrophobicContact CB-CD1 4.33Å; D278-F280 HydrophobicContact CB-CD2 4.23Å; D278-F280 HydrophobicContact CB-CE1 4.38Å; D278-F280 HydrophobicContact CB-CE2 4.28Å; D278-F280 HydrophobicContact CB-CG 4.26Å; D278-F280 HydrophobicContact CB-CZ 4.36Å; D278-F280 VanDerWaalsContact CG-CG 3.46Å; D278-F280 PolarHBondContact O-N 2.98Å; D278-F280 WeakPolarHBondContact OD1-CB 3.09Å; D278-F280 VanDerWaalsContact OD1-CG 3.29Å; D278-F280 WeakPolarHBondContact OD1-CG 3.1Å; D278-F280 PolarHBondContact OD1-N 2.91Å; D278-F280 WeakPolarHBondContact OD2-CD2 3.29Å; D278-F280 WeakPolarHBondContact OD2-CE2 3.36Å; F280-Y282 HydrophobicContact CB-CE2 4.11Å; F280-V291 HydrophobicContact CB-CG1 3.9Å; F280-V291 HydrophobicContact CD2-CG1 4.12Å; F280-V291 HydrophobicContact CG-CG1 4.36Å; F280-Q292 CarbonylContact C-O 3.54Å; F280-Q292 VanDerWaalsContact CA-O 3.3Å; F280-Q292 WeakPolarHBondContact CA-O 3.37Å; F280-Q292 WeakPolarHBondContact CB-O 3.39Å; F280-N293 HydrophobicContact CD1-CB 4.15Å; F280-N293 HydrophobicContact CE1-CB 3.95Å; F280-V299 HydrophobicContact CD2-CG2 4.38Å; F280-V299 HydrophobicContact CE2-CG2 4.4Å | ||
| 281 | T | 93.9 | Very high | 90 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 12% | 0.117 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.5 | -179.9 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | V272 W273 L274 R283 V291 Q292 | V272-T281 HydrophobicContact CG1-CG2 3.27Å; W273-T281 CarbonylContact O-C 3.59Å; W273-T281 WeakPolarHBondContact O-CA 3.24Å; L274-T281 HydrophobicContact CD2-CG2 4.44Å; T281-R283 HydrophobicContact CG2-CG 4.16Å; T281-V291 CarbonylContact O-C 3.57Å; T281-V291 WeakPolarHBondContact O-CA 3.37Å; T281-Q292 PolarHBondContact N-O 2.8Å; T281-Q292 PolarHBondContact O-N 3.39Å |
| 282 | Y | 93.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 115.2 | 177.3 | -71 | -108.3 | 0 | 0 | 0 | 109.5 | W273 F280 F284 L289 V291 R345 E369 L371 | W273-Y282 PolarHBondContact N-O 3.3Å; W273-Y282 PolarHBondContact O-N 2.83Å; F280-Y282 HydrophobicContact CB-CE2 4.11Å; Y282-F284 HydrophobicContact CD1-CZ 4.49Å; Y282-L289 HydrophobicContact CD1-CD1 3.78Å; Y282-L289 HydrophobicContact CD1-CD2 4.41Å; Y282-L289 HydrophobicContact CG-CD1 4.47Å; Y282-V291 HydrophobicContact CD1-CG1 4.46Å; Y282-V291 HydrophobicContact CD1-CG2 3.64Å; Y282-V291 HydrophobicContact CD2-CG1 4.31Å; Y282-V291 HydrophobicContact CE1-CB 4.35Å; Y282-V291 HydrophobicContact CE1-CG1 4.01Å; Y282-V291 HydrophobicContact CE1-CG2 3.4Å; Y282-V291 HydrophobicContact CE2-CG1 3.85Å; Y282-V291 HydrophobicContact CG-CG2 4.35Å; Y282-R345 PolarHBondContact OH-NH1 2.9Å; Y282-R345 VanDerWaalsContact OH-NH1 3.17Å; Y282-R345 PolarHBondContact OH-NH2 2.84Å; Y282-E369 VanDerWaalsContact CE2-OE1 3.28Å; Y282-E369 WeakPolarHBondContact CE2-OE1 3.39Å; Y282-E369 VanDerWaalsContact CZ-OE1 3.27Å; Y282-E369 PolarHBondContact OH-OE1 2.97Å; Y282-E369 PolarHBondContact OH-OE2 3.22Å; Y282-L371 HydrophobicContact CD1-CD1 3.86Å; Y282-L371 HydrophobicContact CD2-CD1 3.98Å; Y282-L371 HydrophobicContact CD2-CD2 3.57Å; Y282-L371 HydrophobicContact CD2-CG 4.43Å; Y282-L371 HydrophobicContact CE1-CD1 4.36Å; Y282-L371 HydrophobicContact CE2-CD1 4.47Å; Y282-L371 HydrophobicContact CE2-CD2 3.58Å; Y282-L371 HydrophobicContact CG-CD1 3.69Å; Y282-L371 HydrophobicContact CG-CD2 4.17Å |
| 283 | R | 90.8 | Very high | 91 | Very high | 104 Ų | 104 | 41.5 Ų | 41.5 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.8 | 174.9 | -62.5 | -175.1 | -170.3 | -119 | 1.8 | 108.6 | T281 V290 | T281-R283 HydrophobicContact CG2-CG 4.16Å; R283-V290 HydrophobicContact CB-CB 4.46Å; R283-V290 PolarHBondContact N-O 3.47Å; R283-V290 PolarHBondContact O-N 3.13Å |
| 284 | F | 87.4 | Confident | 90.8 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.5 | 178.2 | -57.7 | -110.7 | 0 | 0 | 0 | 109.3 | M256 F260 W273 Y282 L289 I333 I341 L371 | M256-F284 HydrophobicContact CE-CB 3.9Å; M256-F284 HydrophobicContact CE-CD1 3.41Å; M256-F284 VanDerWaalsContact CE-CD1 3.41Å; M256-F284 HydrophobicContact CE-CE1 4.41Å; M256-F284 HydrophobicContact CE-CG 4.13Å; F260-F284 HydrophobicContact CB-CB 4.2Å; F260-F284 HydrophobicContact CD1-CB 3.11Å; F260-F284 HydrophobicContact CD1-CD1 4.13Å; F260-F284 AromaticContact CD1-CD2 3.37Å; F260-F284 HydrophobicContact CD1-CD2 3.37Å; F260-F284 HydrophobicContact CD1-CE2 4.1Å; F260-F284 AromaticContact CD1-CG 3.36Å; F260-F284 HydrophobicContact CD1-CG 3.36Å; F260-F284 HydrophobicContact CD2-CB 3.3Å; F260-F284 HydrophobicContact CD2-CD1 4.47Å; F260-F284 HydrophobicContact CD2-CG 4.12Å; F260-F284 HydrophobicContact CE1-CB 3.13Å; F260-F284 AromaticContact CE1-CD1 3.19Å; F260-F284 HydrophobicContact CE1-CD1 3.19Å; F260-F284 AromaticContact CE1-CD2 2.92Å; F260-F284 HydrophobicContact CE1-CD2 2.92Å; F260-F284 AromaticContact CE1-CE1 3.55Å; F260-F284 HydrophobicContact CE1-CE1 3.55Å; F260-F284 AromaticContact CE1-CE2 3.31Å; F260-F284 HydrophobicContact CE1-CE2 3.31Å; F260-F284 AromaticContact CE1-CG 2.83Å; F260-F284 HydrophobicContact CE1-CG 2.83Å; F260-F284 AromaticContact CE1-CZ 3.59Å; F260-F284 HydrophobicContact CE1-CZ 3.59Å; F260-F284 HydrophobicContact CE2-CB 3.28Å; F260-F284 AromaticContact CE2-CD1 3.58Å; F260-F284 HydrophobicContact CE2-CD1 3.58Å; F260-F284 HydrophobicContact CE2-CE1 4.35Å; F260-F284 AromaticContact CE2-CG 3.66Å; F260-F284 HydrophobicContact CE2-CG 3.66Å; F260-F284 HydrophobicContact CG-CB 3.2Å; F260-F284 HydrophobicContact CG-CD2 4.37Å; F260-F284 AromaticContact CG-CG 3.98Å; F260-F284 HydrophobicContact CG-CG 3.98Å; F260-F284 HydrophobicContact CZ-CB 3.18Å; F260-F284 AromaticContact CZ-CD1 2.81Å; F260-F284 HydrophobicContact CZ-CD1 2.81Å; F260-F284 AromaticContact CZ-CD2 3.6Å; F260-F284 HydrophobicContact CZ-CD2 3.6Å; F260-F284 AromaticContact CZ-CE1 3.26Å; F260-F284 HydrophobicContact CZ-CE1 3.26Å; F260-F284 AromaticContact CZ-CE2 3.97Å; F260-F284 HydrophobicContact CZ-CE2 3.97Å; F260-F284 AromaticContact CZ-CG 2.97Å; F260-F284 HydrophobicContact CZ-CG 2.97Å; F260-F284 AromaticContact CZ-CZ 3.81Å; F260-F284 HydrophobicContact CZ-CZ 3.81Å; W273-F284 HydrophobicContact CB-CE2 4.48Å; W273-F284 AromaticContact CD1-CD2 3.76Å; W273-F284 AromaticContact CD1-CE2 3.68Å; W273-F284 HydrophobicContact CG-CE2 4.22Å; Y282-F284 HydrophobicContact CD1-CZ 4.49Å; F284-L289 HydrophobicContact CD1-CB 3.81Å; F284-L289 HydrophobicContact CD1-CD1 3.43Å; F284-L289 VanDerWaalsContact CD1-CD1 3.43Å; F284-L289 HydrophobicContact CD1-CD2 4.2Å; F284-L289 HydrophobicContact CD1-CG 3.98Å; F284-L289 HydrophobicContact CD2-CD1 3.9Å; F284-L289 HydrophobicContact CE1-CB 4.29Å; F284-L289 HydrophobicContact CE1-CD1 3.59Å; F284-L289 HydrophobicContact CE1-CD2 3.82Å; F284-L289 HydrophobicContact CE1-CG 4.09Å; F284-L289 HydrophobicContact CE2-CD1 4.02Å; F284-L289 HydrophobicContact CG-CB 4.5Å; F284-L289 HydrophobicContact CG-CD1 3.65Å; F284-L289 HydrophobicContact CZ-CD1 3.89Å; F284-L289 HydrophobicContact CZ-CD2 4.44Å; F284-I333 HydrophobicContact CE1-CD1 3.65Å; F284-I333 HydrophobicContact CZ-CD1 3.94Å; F284-I341 HydrophobicContact CZ-CD1 4.49Å; F284-L371 HydrophobicContact CE2-CD1 4.49Å; F284-L371 HydrophobicContact CZ-CD1 4.47Å |
| 285 | L | 86.8 | Confident | 90.4 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 29% | 0.293 | 26% | 0.261 | S | S | . | . | trans | -95.9 | 174.1 | 178.9 | -56.5 | 176.2 | 0 | 0 | 0 | 108.5 | H287 D288 V290 | L285-H287 PolarHBondContact O-N 2.79Å; L285-H287 VanDerWaalsContact O-N 3.11Å; L285-D288 WeakPolarHBondContact CA-O 3.4Å; L285-D288 HydrophobicContact CB-CB 4.34Å; L285-D288 WeakPolarHBondContact CB-O 3.33Å; L285-D288 HydrophobicContact CD1-CB 4.38Å; L285-D288 PolarHBondContact N-O 2.76Å; L285-V290 HydrophobicContact CD1-CG2 4.07Å | ||
| 286 | P | 85.3 | Confident | 90 | Very high | 66 Ų | 66 | 56.3 Ų | 56.3 | 43% | 0.429 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -55.1 | -31.3 | -177.5 | -29.7 | 37.6 | 0 | 0 | 0 | 115.1 | L255 M256 | L255-P286 WeakPolarHBondContact CA-O 3.4Å; L255-P286 HydrophobicContact CD2-CB 4.47Å; M256-P286 PolarHBondContact N-O 2.9Å |
| 287 | H | 87.6 | Confident | 90 | Very high | 66 Ų | 66 | 54.5 Ų | 54.5 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -131.8 | -6 | -178.4 | -53.5 | 101.4 | 0 | 0 | 0 | 113.9 | P252 C254 L255 L285 C304 | P252-H287 HydrophobicContact CB-CB 3.62Å; P252-H287 HydrophobicContact CG-CB 4.29Å; C254-H287 PolarHBondContact O-CD2 3.24Å; L255-H287 VanDerWaalsContact CD2-NE2 3.29Å; L255-H287 WeakPolarHBondContact CD2-NE2 3.06Å; L285-H287 PolarHBondContact O-N 2.79Å; L285-H287 VanDerWaalsContact O-N 3.11Å; H287-C304 WeakPolarHBondContact O-CB 3.19Å; H287-C304 PolarHBondContact O-N 3.02Å |
| 288 | D | 90.9 | Very high | 90.3 | Very high | 36 Ų | 36 | 50 Ų | 50 | 19% | 0.193 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.5 | -173.5 | -46.8 | -79.1 | 0 | 0 | 0 | 111.3 | M256 L285 S302 R303 | M256-D288 VanDerWaalsContact CE-C 3.5Å; M256-D288 WeakPolarHBondContact CE-O 3.15Å; M256-D288 PolarHBondContact SD-N 3.02Å; L285-D288 WeakPolarHBondContact CA-O 3.4Å; L285-D288 HydrophobicContact CB-CB 4.34Å; L285-D288 WeakPolarHBondContact CB-O 3.33Å; L285-D288 HydrophobicContact CD1-CB 4.38Å; L285-D288 PolarHBondContact N-O 2.76Å; D288-S302 CarbonylContact C-O 3.6Å; D288-S302 WeakPolarHBondContact CA-O 3.35Å; D288-R303 IonicContact OD1-NE 2.81Å; D288-R303 PolarHBondContact OD1-NE 3.01Å; D288-R303 IonicContact OD1-NH2 3.65Å |
| 289 | L | 92.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125 | 164.3 | 161.7 | 60.4 | 0 | 0 | 0 | 107.8 | M256 Y282 F284 V291 V301 S302 I331 | M256-L289 HydrophobicContact CE-CB 3.63Å; Y282-L289 HydrophobicContact CD1-CD1 3.78Å; Y282-L289 HydrophobicContact CD1-CD2 4.41Å; Y282-L289 HydrophobicContact CG-CD1 4.47Å; F284-L289 HydrophobicContact CD1-CB 3.81Å; F284-L289 HydrophobicContact CD1-CD1 3.43Å; F284-L289 VanDerWaalsContact CD1-CD1 3.43Å; F284-L289 HydrophobicContact CD1-CD2 4.2Å; F284-L289 HydrophobicContact CD1-CG 3.98Å; F284-L289 HydrophobicContact CD2-CD1 3.9Å; F284-L289 HydrophobicContact CE1-CB 4.29Å; F284-L289 HydrophobicContact CE1-CD1 3.59Å; F284-L289 HydrophobicContact CE1-CD2 3.82Å; F284-L289 HydrophobicContact CE1-CG 4.09Å; F284-L289 HydrophobicContact CE2-CD1 4.02Å; F284-L289 HydrophobicContact CG-CB 4.5Å; F284-L289 HydrophobicContact CG-CD1 3.65Å; F284-L289 HydrophobicContact CZ-CD1 3.89Å; F284-L289 HydrophobicContact CZ-CD2 4.44Å; L289-V291 HydrophobicContact CD1-CG2 4.21Å; L289-V291 HydrophobicContact CG-CG2 4.25Å; L289-V301 CarbonylContact O-C 3.57Å; L289-V301 WeakPolarHBondContact O-CA 3.37Å; L289-S302 PolarHBondContact N-O 3.44Å; L289-S302 PolarHBondContact O-N 2.03Å; L289-I331 HydrophobicContact CD2-CD1 4.23Å |
| 290 | V | 94.1 | Very high | 91 | Very high | 15 Ų | 15 | 47.9 Ų | 47.9 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.5 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | R283 L285 Q292 N298 V301 | R283-V290 HydrophobicContact CB-CB 4.46Å; R283-V290 PolarHBondContact N-O 3.47Å; R283-V290 PolarHBondContact O-N 3.13Å; L285-V290 HydrophobicContact CD1-CG2 4.07Å; V290-Q292 HydrophobicContact CG1-CG 3.88Å; V290-N298 HydrophobicContact CG1-CB 4.35Å; V290-N298 WeakPolarHBondContact CG1-OD1 3.48Å; V290-V301 HydrophobicContact CG1-CG2 4.39Å; V290-V301 HydrophobicContact CG2-CG1 4.43Å |
| 291 | V | 95.1 | Very high | 91 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.8 | 172.7 | -170 | 0 | 0 | 0 | 0 | 108.2 | F280 T281 Y282 L289 V299 S300 | F280-V291 HydrophobicContact CB-CG1 3.9Å; F280-V291 HydrophobicContact CD2-CG1 4.12Å; F280-V291 HydrophobicContact CG-CG1 4.36Å; T281-V291 CarbonylContact O-C 3.57Å; T281-V291 WeakPolarHBondContact O-CA 3.37Å; Y282-V291 HydrophobicContact CD1-CG1 4.46Å; Y282-V291 HydrophobicContact CD1-CG2 3.64Å; Y282-V291 HydrophobicContact CD2-CG1 4.31Å; Y282-V291 HydrophobicContact CE1-CB 4.35Å; Y282-V291 HydrophobicContact CE1-CG1 4.01Å; Y282-V291 HydrophobicContact CE1-CG2 3.4Å; Y282-V291 HydrophobicContact CE2-CG1 3.85Å; Y282-V291 HydrophobicContact CG-CG2 4.35Å; L289-V291 HydrophobicContact CD1-CG2 4.21Å; L289-V291 HydrophobicContact CG-CG2 4.25Å; V291-V299 HydrophobicContact CB-CG2 4.05Å; V291-V299 HydrophobicContact CG1-CG2 3.86Å; V291-V299 VanDerWaalsContact O-CG2 3.29Å; V291-V299 WeakPolarHBondContact O-CG2 3.49Å; V291-V299 PolarHBondContact O-N 3.32Å; V291-S300 PolarHBondContact N-O 3.47Å; V291-S300 PolarHBondContact O-N 2.95Å |
| 292 | Q | 94.8 | Very high | 91 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.5 | -177.4 | -54.4 | -173.3 | -66.2 | 0 | 0 | 111 | F280 T281 V290 N296 D297 N298 | F280-Q292 CarbonylContact C-O 3.54Å; F280-Q292 VanDerWaalsContact CA-O 3.3Å; F280-Q292 WeakPolarHBondContact CA-O 3.37Å; F280-Q292 WeakPolarHBondContact CB-O 3.39Å; T281-Q292 PolarHBondContact N-O 2.8Å; T281-Q292 PolarHBondContact O-N 3.39Å; V290-Q292 HydrophobicContact CG1-CG 3.88Å; Q292-N296 PolarHBondContact NE2-O 2.99Å; Q292-D297 CarbonylContact C-O 3.53Å; Q292-D297 VanDerWaalsContact CA-O 3.24Å; Q292-D297 WeakPolarHBondContact CA-O 3.2Å; Q292-N298 WeakPolarHBondContact CG-OD1 3.3Å; Q292-N298 PolarHBondContact NE2-OD1 3.18Å |
| 293 | N | 91.9 | Very high | 91 | Very high | 26 Ų | 26 | 50 Ų | 50 | 14% | 0.139 | 25% | 0.247 | C | C | . | . | trans | -80.9 | -178.1 | 171 | 72.3 | 7.5 | 0 | 0 | 0 | 111.7 | F280 Q295 N296 D297 V299 | F280-N293 HydrophobicContact CD1-CB 4.15Å; F280-N293 HydrophobicContact CE1-CB 3.95Å; N293-Q295 PolarHBondContact ND2-OE1 2.73Å; N293-Q295 VanDerWaalsContact ND2-OE1 3.13Å; N293-Q295 PolarHBondContact O-N 2.79Å; N293-Q295 WeakPolarHBondContact OD1-CA 3.24Å; N293-Q295 WeakPolarHBondContact OD1-CB 3.26Å; N293-Q295 PolarHBondContact OD1-N 2.98Å; N293-N296 PolarHBondContact O-N 2.84Å; N293-N296 PolarHBondContact OD1-N 2.8Å; N293-D297 PolarHBondContact N-O 2.73Å; N293-D297 PolarHBondContact OD1-N 2.78Å; N293-D297 PolarHBondContact OD1-O 3.38Å; N293-V299 HydrophobicContact CB-CG1 3.94Å | ||
| 294 | H | 87.4 | Confident | 91.1 | Very high | 137 Ų | 137 | 45 Ų | 45 | 63% | 0.634 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.7 | 177.1 | -64.5 | -73.2 | 0 | 0 | 0 | 114.6 | D278 G279 N296 | D278-H294 PolarHBondContact O-NE2 2.79Å; G279-H294 PolarHBondContact O-CE1 2.83Å; H294-N296 VanDerWaalsContact C-N 3.25Å |
| 295 | Q | 84.5 | Confident | 91.4 | Very high | 143 Ų | 143 | 45.8 Ų | 45.8 | 67% | 0.668 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 3.9 | 177.2 | -65.1 | 146.6 | -16.5 | 0 | 0 | 112.2 | N293 D297 | N293-Q295 PolarHBondContact ND2-OE1 2.73Å; N293-Q295 VanDerWaalsContact ND2-OE1 3.13Å; N293-Q295 PolarHBondContact O-N 2.79Å; N293-Q295 WeakPolarHBondContact OD1-CA 3.24Å; N293-Q295 WeakPolarHBondContact OD1-CB 3.26Å; N293-Q295 PolarHBondContact OD1-N 2.98Å; Q295-D297 PolarHBondContact O-N 3.15Å |
| 296 | N | 86.7 | Confident | 91.7 | Very high | 100 Ų | 100 | 48.1 Ų | 48.1 | 54% | 0.535 | 24% | 0.242 | S | C | . | . | trans | 62.7 | 18 | -171.1 | -59.9 | -62.8 | 0 | 0 | 0 | 114.5 | Q292 N293 H294 | Q292-N296 PolarHBondContact NE2-O 2.99Å; N293-N296 PolarHBondContact O-N 2.84Å; N293-N296 PolarHBondContact OD1-N 2.8Å; H294-N296 VanDerWaalsContact C-N 3.25Å | ||
| 297 | D | 89 | Confident | 91.9 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | trans | -77.8 | 133.1 | 171 | -73.8 | -38.4 | 0 | 0 | 0 | 109.9 | Q292 N293 Q295 V299 | Q292-D297 CarbonylContact C-O 3.53Å; Q292-D297 VanDerWaalsContact CA-O 3.24Å; Q292-D297 WeakPolarHBondContact CA-O 3.2Å; N293-D297 PolarHBondContact N-O 2.73Å; N293-D297 PolarHBondContact OD1-N 2.78Å; N293-D297 PolarHBondContact OD1-O 3.38Å; Q295-D297 PolarHBondContact O-N 3.15Å; D297-V299 PolarHBondContact O-N 2.9Å | ||
| 298 | N | 94.7 | Very high | 92.1 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 115.2 | 173.8 | -64.5 | -4.3 | 0 | 0 | 0 | 109.4 | A152 S153 V290 Q292 V301 | A152-N298 CarbonylContact C-O 3.5Å; A152-N298 WeakPolarHBondContact O-CB 3.39Å; S153-N298 PolarHBondContact N-O 3.46Å; S153-N298 VanDerWaalsContact N-O 3.1Å; V290-N298 HydrophobicContact CG1-CB 4.35Å; V290-N298 WeakPolarHBondContact CG1-OD1 3.48Å; Q292-N298 WeakPolarHBondContact CG-OD1 3.3Å; Q292-N298 PolarHBondContact NE2-OD1 3.18Å; N298-V301 HydrophobicContact CB-CG2 4.17Å |
| 299 | V | 94.1 | Very high | 92 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -28 | 175.5 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | A152 F280 V291 N293 D297 D323 | A152-V299 WeakPolarHBondContact CB-O 3.17Å; F280-V299 HydrophobicContact CD2-CG2 4.38Å; F280-V299 HydrophobicContact CE2-CG2 4.4Å; V291-V299 HydrophobicContact CB-CG2 4.05Å; V291-V299 HydrophobicContact CG1-CG2 3.86Å; V291-V299 VanDerWaalsContact O-CG2 3.29Å; V291-V299 WeakPolarHBondContact O-CG2 3.49Å; V291-V299 PolarHBondContact O-N 3.32Å; N293-V299 HydrophobicContact CB-CG1 3.94Å; D297-V299 PolarHBondContact O-N 2.9Å; V299-D323 PolarHBondContact O-N 2.79Å |
| 300 | S | 95.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 136.8 | 175.8 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | V291 T320 T321 | V291-S300 PolarHBondContact N-O 3.47Å; V291-S300 PolarHBondContact O-N 2.95Å; S300-T320 WeakPolarHBondContact OG-CG2 3.19Å; S300-T321 CarbonylContact C-O 3.44Å; S300-T321 WeakPolarHBondContact CA-O 3.32Å |
| 301 | V | 94.7 | Very high | 91.6 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 121.4 | 173.3 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | A152 L289 V290 N298 T321 | A152-V301 HydrophobicContact CB-CG2 4.28Å; L289-V301 CarbonylContact O-C 3.57Å; L289-V301 WeakPolarHBondContact O-CA 3.37Å; V290-V301 HydrophobicContact CG1-CG2 4.39Å; V290-V301 HydrophobicContact CG2-CG1 4.43Å; N298-V301 HydrophobicContact CB-CG2 4.17Å; V301-T321 PolarHBondContact N-O 2.99Å; V301-T321 PolarHBondContact O-N 3.49Å |
| 302 | S | 94.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129 | -176.1 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | D288 L289 Y319 T320 | D288-S302 CarbonylContact C-O 3.6Å; D288-S302 WeakPolarHBondContact CA-O 3.35Å; L289-S302 PolarHBondContact N-O 3.44Å; L289-S302 PolarHBondContact O-N 2.03Å; S302-Y319 CarbonylContact C-O 3.6Å; S302-Y319 WeakPolarHBondContact CA-O 3.38Å; S302-T320 WeakPolarHBondContact CB-OG1 3.47Å; S302-T320 WeakPolarHBondContact OG-CG2 3.21Å; S302-T320 PolarHBondContact OG-OG1 3.34Å |
| 303 | R | 92.7 | Very high | 91.1 | Very high | 81 Ų | 81 | 59.7 Ų | 59.7 | 31% | 0.306 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132.8 | 174.8 | -178.3 | 166.9 | -66.3 | 141.1 | 6.4 | 111.2 | P250 P252 D288 I305 V318 Y319 | P250-R303 WeakPolarHBondContact O-CD 3.31Å; P252-R303 HydrophobicContact CB-CG 4Å; D288-R303 IonicContact OD1-NE 2.81Å; D288-R303 PolarHBondContact OD1-NE 3.01Å; D288-R303 IonicContact OD1-NH2 3.65Å; R303-I305 PolarHBondContact O-N 3.14Å; R303-V318 CarbonylContact O-C 3.5Å; R303-V318 WeakPolarHBondContact O-CA 3.47Å; R303-V318 WeakPolarHBondContact O-CB 3.41Å; R303-Y319 PolarHBondContact N-O 2.94Å; R303-Y319 PolarHBondContact O-N 3.32Å |
| 304 | C | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 123.2 | 178.4 | -160.3 | 0 | 0 | 0 | 0 | 111.3 | P252 D253 C254 M256 H287 | P252-C304 WeakPolarHBondContact CA-O 3.38Å; D253-C304 PolarHBondContact N-O 3.31Å; C254-C304 HydrophobicContact CB-CB 4.27Å; C254-C304 WeakPolarHBondContact CB-SG 3.47Å; C254-C304 WeakPolarHBondContact O-CB 3.22Å; C254-C304 VanDerWaalsContact SG-CA 3.57Å; C254-C304 WeakPolarHBondContact SG-CB 3.33Å; C254-C304 CovalentContact SG-SG 2.03Å; C254-C304 PolarHBondContact SG-SG 3.13Å; M256-C304 HydrophobicContact CG-CB 3.74Å; M256-C304 HydrophobicContact SD-CB 3.97Å; H287-C304 WeakPolarHBondContact O-CB 3.19Å; H287-C304 PolarHBondContact O-N 3.02Å |
| 305 | I | 94 | Very high | 91.4 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 13% | 0.128 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -53.8 | 174.1 | -52.7 | -56.7 | 0 | 0 | 0 | 110.1 | P250 D253 C254 R303 V317 Y328 | P250-I305 HydrophobicContact CB-CD1 3.57Å; P250-I305 HydrophobicContact CG-CD1 4.45Å; D253-I305 VanDerWaalsContact CB-O 3.27Å; D253-I305 WeakPolarHBondContact CB-O 3.44Å; C254-I305 PolarHBondContact SG-N 3.25Å; C254-I305 PolarHBondContact SG-O 3.02Å; R303-I305 PolarHBondContact O-N 3.14Å; I305-V317 WeakPolarHBondContact CA-O 3.36Å; I305-V317 WeakPolarHBondContact CB-O 3.24Å; I305-V317 PolarHBondContact N-O 2.79Å; I305-Y328 HydrophobicContact CG1-CD1 4.25Å; I305-Y328 HydrophobicContact CG1-CE1 4.12Å |
| 306 | E | 92.4 | Very high | 91.8 | Very high | 104 Ų | 104 | 47.7 Ų | 47.7 | 49% | 0.486 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 147 | 176.8 | -173.4 | 174.8 | -168.8 | 0 | 0 | 110.6 | C254 M316 V317 | C254-E306 VanDerWaalsContact SG-CA 3.55Å; C254-E306 PolarHBondContact SG-N 2.78Å; E306-M316 CarbonylContact O-C 3.58Å; E306-M316 VanDerWaalsContact O-CA 3.24Å; E306-M316 WeakPolarHBondContact O-CA 3.49Å; E306-V317 HydrophobicContact CB-CB 4.2Å; E306-V317 PolarHBondContact N-O 2.93Å; E306-V317 PolarHBondContact O-N 2.8Å |
| 307 | S | 91.1 | Very high | 92.2 | Very high | 47 Ų | 47 | 43.4 Ų | 43.4 | 33% | 0.329 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 131.2 | 174.7 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | T314 K315 | S307-T314 WeakPolarHBondContact OG-CG2 3.06Å; S307-K315 WeakPolarHBondContact CA-O 3.21Å |
| 308 | E | 91.2 | Very high | 92.5 | Very high | 67 Ų | 67 | 40.2 Ų | 40.2 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.5 | 173.8 | -69.7 | 173.8 | -138.9 | 0 | 0 | 109.6 | F310 T314 K315 | E308-F310 HydrophobicContact CB-CE2 3.72Å; E308-F310 HydrophobicContact CB-CZ 4.16Å; E308-F310 VanDerWaalsContact OE2-CZ 3.23Å; E308-F310 WeakPolarHBondContact OE2-CZ 3.47Å; E308-T314 CarbonylContact O-C 3.52Å; E308-T314 WeakPolarHBondContact O-CA 3.3Å; E308-T314 WeakPolarHBondContact O-CG2 3.26Å; E308-K315 PolarHBondContact N-O 3.39Å; E308-K315 PolarHBondContact O-N 3.45Å; E308-K315 WeakPolarHBondContact OE1-CE 3.33Å; E308-K315 IonicContact OE1-NZ 2.95Å; E308-K315 PolarHBondContact OE1-NZ 2.84Å; E308-K315 WeakPolarHBondContact OE2-CE 3.3Å; E308-K315 IonicContact OE2-NZ 3.62Å; E308-K315 PolarHBondContact OE2-NZ 2.93Å |
| 309 | N | 88.6 | Confident | 92.6 | Very high | 68 Ų | 68 | 40 Ų | 40 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.1 | -178.9 | -175.2 | -0.2 | 0 | 0 | 0 | 111.4 | Q258 G311 M313 | Q258-N309 PolarHBondContact NE2-ND2 3.1Å; Q258-N309 PolarHBondContact OE1-ND2 2.79Å; N309-G311 WeakPolarHBondContact OD1-CA 3.37Å; N309-G311 PolarHBondContact OD1-N 3.49Å; N309-M313 PolarHBondContact OD1-O 2.83Å |
| 310 | F | 90.5 | Very high | 92.6 | Very high | 120 Ų | 120 | 38.5 Ų | 38.5 | 53% | 0.526 | 21% | 0.211 | S | C | . | . | trans | -112.3 | 25.1 | 178.9 | -60 | -87.8 | 0 | 0 | 0 | 112.1 | E308 A312 M313 K315 | E308-F310 HydrophobicContact CB-CE2 3.72Å; E308-F310 HydrophobicContact CB-CZ 4.16Å; E308-F310 VanDerWaalsContact OE2-CZ 3.23Å; E308-F310 WeakPolarHBondContact OE2-CZ 3.47Å; F310-A312 PolarHBondContact O-N 2.86Å; F310-A312 VanDerWaalsContact O-N 3.17Å; F310-M313 CarbonylContact C-O 3.57Å; F310-M313 WeakPolarHBondContact CA-O 3.16Å; F310-M313 HydrophobicContact CB-CE 4.08Å; F310-M313 WeakPolarHBondContact CB-O 3.28Å; F310-M313 HydrophobicContact CD2-CE 3.48Å; F310-M313 VanDerWaalsContact CD2-CE 3.48Å; F310-M313 HydrophobicContact CD2-SD 3.93Å; F310-M313 HydrophobicContact CE2-CE 4.11Å; F310-M313 HydrophobicContact CG-CE 3.89Å; F310-M313 PolarHBondContact N-O 3.14Å; F310-K315 HydrophobicContact CE2-CB 4.05Å | ||
| 311 | G | 86.2 | Confident | 92.6 | Very high | 54 Ų | 54 | 39.1 Ų | 39.1 | 56% | 0.557 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 85.4 | -81.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N309 M313 | N309-G311 WeakPolarHBondContact OD1-CA 3.37Å; N309-G311 PolarHBondContact OD1-N 3.49Å; G311-M313 VanDerWaalsContact C-N 3.32Å |
| 312 | A | 88.2 | Confident | 92.5 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 53% | 0.529 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -86 | -6.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F310 Y334 K335 | F310-A312 PolarHBondContact O-N 2.86Å; F310-A312 VanDerWaalsContact O-N 3.17Å; A312-Y334 CarbonylContact O-C 3.59Å; A312-Y334 WeakPolarHBondContact O-CA 3.24Å; A312-K335 PolarHBondContact O-N 3.31Å |
| 313 | M | 91.9 | Very high | 92.3 | Very high | 35 Ų | 35 | 46 Ų | 46 | 17% | 0.172 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 137.2 | 179.2 | -178.9 | -84.9 | -71.3 | 0 | 0 | 109.4 | N309 F310 G311 K315 K332 I333 Y334 | N309-M313 PolarHBondContact OD1-O 2.83Å; F310-M313 CarbonylContact C-O 3.57Å; F310-M313 WeakPolarHBondContact CA-O 3.16Å; F310-M313 HydrophobicContact CB-CE 4.08Å; F310-M313 WeakPolarHBondContact CB-O 3.28Å; F310-M313 HydrophobicContact CD2-CE 3.48Å; F310-M313 VanDerWaalsContact CD2-CE 3.48Å; F310-M313 HydrophobicContact CD2-SD 3.93Å; F310-M313 HydrophobicContact CE2-CE 4.11Å; F310-M313 HydrophobicContact CG-CE 3.89Å; F310-M313 PolarHBondContact N-O 3.14Å; G311-M313 VanDerWaalsContact C-N 3.32Å; M313-K315 HydrophobicContact SD-CB 4.11Å; M313-K332 HydrophobicContact SD-CB 4.4Å; M313-K332 HydrophobicContact SD-CD 4.35Å; M313-K332 HydrophobicContact SD-CG 4.17Å; M313-I333 CarbonylContact C-O 3.59Å; M313-I333 VanDerWaalsContact CA-O 3.23Å; M313-I333 WeakPolarHBondContact CA-O 3.39Å; M313-Y334 HydrophobicContact CB-CD1 3.76Å; M313-Y334 HydrophobicContact CB-CE1 3.92Å; M313-Y334 HydrophobicContact CB-CG 4.48Å; M313-Y334 HydrophobicContact CG-CD1 3.62Å; M313-Y334 HydrophobicContact CG-CD2 4.47Å; M313-Y334 HydrophobicContact CG-CE1 3.44Å; M313-Y334 VanDerWaalsContact CG-CE1 3.44Å; M313-Y334 HydrophobicContact CG-CE2 4.32Å; M313-Y334 HydrophobicContact CG-CG 4.15Å |
| 314 | T | 91.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.3 | 166.2 | -81.7 | 0 | 0 | 0 | 0 | 109 | W259 S307 E308 M316 K332 I333 | W259-T314 HydrophobicContact CZ2-CG2 4.45Å; W259-T314 WeakPolarHBondContact CZ2-OG1 3.43Å; S307-T314 WeakPolarHBondContact OG-CG2 3.06Å; E308-T314 CarbonylContact O-C 3.52Å; E308-T314 WeakPolarHBondContact O-CA 3.3Å; E308-T314 WeakPolarHBondContact O-CG2 3.26Å; T314-M316 HydrophobicContact CG2-CE 4.48Å; T314-M316 HydrophobicContact CG2-CG 3.69Å; T314-M316 HydrophobicContact CG2-SD 4.17Å; T314-K332 CarbonylContact O-C 3.57Å; T314-K332 WeakPolarHBondContact O-CA 3.4Å; T314-I333 PolarHBondContact N-O 2.8Å; T314-I333 PolarHBondContact O-N 3.44Å |
| 315 | K | 93.6 | Very high | 92.1 | Very high | 47 Ų | 47 | 48.1 Ų | 48.1 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 138.2 | 169.5 | -176 | -170.8 | 66 | 175.5 | 0 | 108.1 | S307 E308 F310 M313 I331 K332 | S307-K315 WeakPolarHBondContact CA-O 3.21Å; E308-K315 PolarHBondContact N-O 3.39Å; E308-K315 PolarHBondContact O-N 3.45Å; E308-K315 WeakPolarHBondContact OE1-CE 3.33Å; E308-K315 IonicContact OE1-NZ 2.95Å; E308-K315 PolarHBondContact OE1-NZ 2.84Å; E308-K315 WeakPolarHBondContact OE2-CE 3.3Å; E308-K315 IonicContact OE2-NZ 3.62Å; E308-K315 PolarHBondContact OE2-NZ 2.93Å; F310-K315 HydrophobicContact CE2-CB 4.05Å; M313-K315 HydrophobicContact SD-CB 4.11Å; K315-I331 CarbonylContact C-O 3.41Å; K315-I331 WeakPolarHBondContact CA-O 3.29Å; K315-K332 HydrophobicContact CB-CG 4.33Å; K315-K332 HydrophobicContact CG-CG 4.24Å |
| 316 | M | 93.6 | Very high | 92 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 143.5 | 177.7 | -64.7 | 177.9 | -73.7 | 0 | 0 | 110.4 | E306 T314 V318 C330 I331 I333 | E306-M316 CarbonylContact O-C 3.58Å; E306-M316 VanDerWaalsContact O-CA 3.24Å; E306-M316 WeakPolarHBondContact O-CA 3.49Å; T314-M316 HydrophobicContact CG2-CE 4.48Å; T314-M316 HydrophobicContact CG2-CG 3.69Å; T314-M316 HydrophobicContact CG2-SD 4.17Å; M316-V318 HydrophobicContact CB-CG1 4.09Å; M316-C330 CarbonylContact O-C 3.44Å; M316-C330 WeakPolarHBondContact O-CA 3.34Å; M316-I331 HydrophobicContact CE-CG2 4.3Å; M316-I331 PolarHBondContact N-O 2.76Å; M316-I331 PolarHBondContact O-N 3.25Å; M316-I333 HydrophobicContact CE-CD1 3.26Å; M316-I333 HydrophobicContact CE-CG1 3.72Å |
| 317 | V | 95.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.6 | 159.5 | -179.9 | 0 | 0 | 0 | 0 | 106.7 | I305 E306 Y328 A352 A355 | I305-V317 WeakPolarHBondContact CA-O 3.36Å; I305-V317 WeakPolarHBondContact CB-O 3.24Å; I305-V317 PolarHBondContact N-O 2.79Å; E306-V317 HydrophobicContact CB-CB 4.2Å; E306-V317 PolarHBondContact N-O 2.93Å; E306-V317 PolarHBondContact O-N 2.8Å; V317-Y328 HydrophobicContact CG1-CD1 4.36Å; V317-A352 HydrophobicContact CG1-CB 4.11Å; V317-A355 HydrophobicContact CG1-CB 3.89Å |
| 318 | V | 95.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 151.8 | -179.3 | -58.4 | 0 | 0 | 0 | 0 | 110.3 | R303 M316 T320 Y328 Q329 I331 | R303-V318 CarbonylContact O-C 3.5Å; R303-V318 WeakPolarHBondContact O-CA 3.47Å; R303-V318 WeakPolarHBondContact O-CB 3.41Å; M316-V318 HydrophobicContact CB-CG1 4.09Å; V318-T320 VanDerWaalsContact CG2-OG1 3.29Å; V318-T320 WeakPolarHBondContact CG2-OG1 3.36Å; V318-Y328 CarbonylContact O-C 3.55Å; V318-Y328 VanDerWaalsContact O-CA 3.25Å; V318-Y328 WeakPolarHBondContact O-CA 3.5Å; V318-Q329 HydrophobicContact CG2-CB 3.97Å; V318-Q329 WeakPolarHBondContact CG2-O 3.1Å; V318-Q329 PolarHBondContact N-O 2.85Å; V318-Q329 PolarHBondContact O-N 2.9Å; V318-I331 HydrophobicContact CG1-CD1 4.33Å; V318-I331 HydrophobicContact CG2-CD1 3.54Å; V318-I331 HydrophobicContact CG2-CG1 3.97Å |
| 319 | Y | 95.3 | Very high | 92.6 | Very high | 32 Ų | 32 | 42 Ų | 42 | 13% | 0.125 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 104.7 | 166.5 | -172.9 | -100.3 | 0 | 0 | 0 | 108.6 | H129 P250 S302 R303 N326 G327 Y328 | H129-Y319 AromaticContact NE2-CE1 3.86Å; P250-Y319 HydrophobicContact CG-CD2 4.02Å; P250-Y319 HydrophobicContact CG-CE2 4.41Å; P250-Y319 HydrophobicContact CG-CG 4.07Å; S302-Y319 CarbonylContact C-O 3.6Å; S302-Y319 WeakPolarHBondContact CA-O 3.38Å; R303-Y319 PolarHBondContact N-O 2.94Å; R303-Y319 PolarHBondContact O-N 3.32Å; Y319-N326 HydrophobicContact CE1-CB 4.37Å; Y319-N326 PolarHBondContact OH-ND2 2.7Å; Y319-G327 CarbonylContact C-O 3.57Å; Y319-Y328 HydrophobicContact CD2-CD1 4.1Å; Y319-Y328 HydrophobicContact CD2-CD2 4.17Å; Y319-Y328 AromaticContact CD2-CE1 3.95Å; Y319-Y328 HydrophobicContact CD2-CE1 3.95Å; Y319-Y328 HydrophobicContact CD2-CE2 4.04Å; Y319-Y328 HydrophobicContact CD2-CG 4.22Å; Y319-Y328 AromaticContact CD2-CZ 3.92Å; Y319-Y328 HydrophobicContact CE2-CD2 4.5Å; Y319-Y328 HydrophobicContact CE2-CE2 4.22Å |
| 320 | T | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133.5 | -174.8 | -64.8 | 0 | 0 | 0 | 0 | 110.5 | S300 S302 V318 Q322 N326 G327 Q329 L348 | S300-T320 WeakPolarHBondContact OG-CG2 3.19Å; S302-T320 WeakPolarHBondContact CB-OG1 3.47Å; S302-T320 WeakPolarHBondContact OG-CG2 3.21Å; S302-T320 PolarHBondContact OG-OG1 3.34Å; V318-T320 VanDerWaalsContact CG2-OG1 3.29Å; V318-T320 WeakPolarHBondContact CG2-OG1 3.36Å; T320-Q322 HydrophobicContact CG2-CB 4.14Å; T320-N326 VanDerWaalsContact O-CA 3.26Å; T320-N326 WeakPolarHBondContact O-CA 3.35Å; T320-G327 PolarHBondContact N-O 2.79Å; T320-G327 PolarHBondContact O-N 2.85Å; T320-Q329 PolarHBondContact OG1-OE1 2.79Å; T320-L348 HydrophobicContact CG2-CD2 4.09Å |
| 321 | T | 94.7 | Very high | 93.3 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 10% | 0.104 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 113.3 | 157.4 | -56 | 0 | 0 | 0 | 0 | 107.7 | A152 S300 V301 E325 | A152-T321 HydrophobicContact CB-CG2 4.44Å; S300-T321 CarbonylContact C-O 3.44Å; S300-T321 WeakPolarHBondContact CA-O 3.32Å; V301-T321 PolarHBondContact N-O 2.99Å; V301-T321 PolarHBondContact O-N 3.49Å; T321-E325 CarbonylContact C-O 3.59Å; T321-E325 VanDerWaalsContact CA-O 3.24Å; T321-E325 WeakPolarHBondContact CA-O 3.29Å |
| 322 | Q | 93.6 | Very high | 93.7 | Very high | 87 Ų | 87 | 32.5 Ų | 32.5 | 41% | 0.407 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.6 | 175.5 | 179.7 | 172.6 | -14.2 | 0 | 0 | 107.8 | T320 C324 E325 | T320-Q322 HydrophobicContact CG2-CB 4.14Å; Q322-C324 PolarHBondContact O-N 2.66Å; Q322-E325 PolarHBondContact N-O 2.73Å; Q322-E325 PolarHBondContact O-N 2.84Å |
| 323 | D | 89.9 | Confident | 93.9 | Very high | 98 Ų | 98 | 29.5 Ų | 29.5 | 52% | 0.524 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | -109.8 | -164.5 | -64.6 | -53.8 | 0 | 0 | 0 | 110.9 | C151 A152 V299 | C151-D323 CarbonylContact C-O 3.56Å; C151-D323 WeakPolarHBondContact CA-O 2.95Å; C151-D323 WeakPolarHBondContact CB-O 3.31Å; A152-D323 PolarHBondContact N-O 3.35Å; V299-D323 PolarHBondContact O-N 2.79Å |
| 324 | C | 90.9 | Very high | 94 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 10.6 | 177.7 | -56.1 | 0 | 0 | 0 | 0 | 113.1 | C151 R158 Q322 | C151-C324 HydrophobicContact CB-CB 4Å; C151-C324 WeakPolarHBondContact CB-SG 3.47Å; C151-C324 WeakPolarHBondContact SG-CB 3.38Å; C151-C324 CovalentContact SG-SG 2.04Å; C151-C324 PolarHBondContact SG-SG 3.44Å; R158-C324 HydrophobicContact CB-CB 3.78Å; R158-C324 HydrophobicContact CG-CB 4.39Å; Q322-C324 PolarHBondContact O-N 2.66Å |
| 325 | E | 91.2 | Very high | 93.9 | Very high | 120 Ų | 120 | 35.1 Ų | 35.1 | 56% | 0.561 | 17% | 0.166 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 145.9 | 176.8 | -63.1 | -169.8 | 175.4 | 0 | 0 | 110.2 | T321 Q322 L348 | T321-E325 CarbonylContact C-O 3.59Å; T321-E325 VanDerWaalsContact CA-O 3.24Å; T321-E325 WeakPolarHBondContact CA-O 3.29Å; Q322-E325 PolarHBondContact N-O 2.73Å; Q322-E325 PolarHBondContact O-N 2.84Å; E325-L348 HydrophobicContact CB-CD1 4.11Å |
| 326 | N | 91.9 | Very high | 93.8 | Very high | 54 Ų | 54 | 39.7 Ų | 39.7 | 29% | 0.289 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 141.5 | -172.5 | 58.1 | -35.2 | 0 | 0 | 0 | 111.3 | H129 N149 Y319 T320 | H129-N326 PolarHBondContact CE1-ND2 2.92Å; H129-N326 PolarHBondContact ND1-ND2 2.84Å; N149-N326 PolarHBondContact ND2-OD1 3.17Å; Y319-N326 HydrophobicContact CE1-CB 4.37Å; Y319-N326 PolarHBondContact OH-ND2 2.7Å; T320-N326 VanDerWaalsContact O-CA 3.26Å; T320-N326 WeakPolarHBondContact O-CA 3.35Å |
| 327 | G | 93.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.4 | 174 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y319 T320 A349 | Y319-G327 CarbonylContact C-O 3.57Å; T320-G327 PolarHBondContact N-O 2.79Å; T320-G327 PolarHBondContact O-N 2.85Å; G327-A349 WeakPolarHBondContact CA-O 3.25Å |
| 328 | Y | 96 | Very high | 92.8 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 18% | 0.184 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 141.4 | 171.7 | -63.7 | -91 | 0 | 0 | 0 | 109.8 | P250 I305 V317 V318 Y319 L348 A349 A352 | P250-Y328 HydrophobicContact CG-CE1 4.23Å; P250-Y328 WeakPolarHBondContact CG-OH 3.44Å; I305-Y328 HydrophobicContact CG1-CD1 4.25Å; I305-Y328 HydrophobicContact CG1-CE1 4.12Å; V317-Y328 HydrophobicContact CG1-CD1 4.36Å; V318-Y328 CarbonylContact O-C 3.55Å; V318-Y328 VanDerWaalsContact O-CA 3.25Å; V318-Y328 WeakPolarHBondContact O-CA 3.5Å; Y319-Y328 HydrophobicContact CD2-CD1 4.1Å; Y319-Y328 HydrophobicContact CD2-CD2 4.17Å; Y319-Y328 AromaticContact CD2-CE1 3.95Å; Y319-Y328 HydrophobicContact CD2-CE1 3.95Å; Y319-Y328 HydrophobicContact CD2-CE2 4.04Å; Y319-Y328 HydrophobicContact CD2-CG 4.22Å; Y319-Y328 AromaticContact CD2-CZ 3.92Å; Y319-Y328 HydrophobicContact CE2-CD2 4.5Å; Y319-Y328 HydrophobicContact CE2-CE2 4.22Å; Y328-L348 CarbonylContact O-C 3.56Å; Y328-A349 PolarHBondContact N-O 2.85Å; Y328-A349 PolarHBondContact O-N 2.9Å; Y328-A352 HydrophobicContact CD1-CB 3.61Å; Y328-A352 HydrophobicContact CE1-CB 3.74Å; Y328-A352 HydrophobicContact CG-CB 4.12Å |
| 329 | Q | 97 | Very high | 92.3 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 136.3 | -176 | -166 | 178.7 | 30.9 | 0 | 0 | 109.2 | V318 T320 G346 L348 | V318-Q329 HydrophobicContact CG2-CB 3.97Å; V318-Q329 WeakPolarHBondContact CG2-O 3.1Å; V318-Q329 PolarHBondContact N-O 2.85Å; V318-Q329 PolarHBondContact O-N 2.9Å; T320-Q329 PolarHBondContact OG1-OE1 2.79Å; Q329-G346 WeakPolarHBondContact CG-O 3.49Å; Q329-G346 PolarHBondContact NE2-O 2.98Å; Q329-L348 HydrophobicContact CB-CD2 4.17Å |
| 330 | C | 97.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 132.7 | 170.9 | -165.5 | 0 | 0 | 0 | 0 | 109.8 | M316 G346 A355 C356 F361 | M316-C330 CarbonylContact O-C 3.44Å; M316-C330 WeakPolarHBondContact O-CA 3.34Å; C330-G346 PolarHBondContact O-N 2.82Å; C330-A355 HydrophobicContact CB-CB 4.44Å; C330-A355 WeakPolarHBondContact CB-O 3.44Å; C330-C356 HydrophobicContact CB-CB 3.81Å; C330-C356 WeakPolarHBondContact CB-SG 3.47Å; C330-C356 WeakPolarHBondContact SG-CB 3.28Å; C330-C356 CovalentContact SG-SG 2.05Å; C330-C356 PolarHBondContact SG-SG 2.91Å; C330-F361 HydrophobicContact CB-CB 4.07Å; C330-F361 HydrophobicContact CB-CD2 3.58Å; C330-F361 HydrophobicContact CB-CE2 4.27Å; C330-F361 HydrophobicContact CB-CG 3.92Å; C330-F361 WeakPolarHBondContact O-CD2 3.11Å; C330-F361 WeakPolarHBondContact O-CE2 2.99Å |
| 331 | I | 95.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.2 | 177.7 | -56.4 | -176.1 | 0 | 0 | 0 | 108.3 | L289 K315 M316 V318 I333 V344 R345 | L289-I331 HydrophobicContact CD2-CD1 4.23Å; K315-I331 CarbonylContact C-O 3.41Å; K315-I331 WeakPolarHBondContact CA-O 3.29Å; M316-I331 HydrophobicContact CE-CG2 4.3Å; M316-I331 PolarHBondContact N-O 2.76Å; M316-I331 PolarHBondContact O-N 3.25Å; V318-I331 HydrophobicContact CG1-CD1 4.33Å; V318-I331 HydrophobicContact CG2-CD1 3.54Å; V318-I331 HydrophobicContact CG2-CG1 3.97Å; I331-I333 HydrophobicContact CG2-CG1 3.99Å; I331-V344 WeakPolarHBondContact CA-O 3.4Å; I331-R345 HydrophobicContact CD1-CG 4.24Å; I331-R345 HydrophobicContact CG1-CG 4.09Å; I331-R345 HydrophobicContact CG2-CG 4.17Å |
| 332 | K | 94.9 | Very high | 91.8 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 18% | 0.183 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.3 | 167.3 | -71.8 | -178.9 | -179.6 | 166 | 0 | 109.5 | M313 T314 K315 Y334 T343 V344 F361 | M313-K332 HydrophobicContact SD-CB 4.4Å; M313-K332 HydrophobicContact SD-CD 4.35Å; M313-K332 HydrophobicContact SD-CG 4.17Å; T314-K332 CarbonylContact O-C 3.57Å; T314-K332 WeakPolarHBondContact O-CA 3.4Å; K315-K332 HydrophobicContact CB-CG 4.33Å; K315-K332 HydrophobicContact CG-CG 4.24Å; K332-Y334 HydrophobicContact CB-CE2 3.84Å; K332-T343 CarbonylContact O-C 3.53Å; K332-T343 WeakPolarHBondContact O-CA 3.46Å; K332-V344 PolarHBondContact N-O 2.95Å; K332-V344 PolarHBondContact O-N 2.71Å; K332-F361 HydrophobicContact CB-CZ 4.06Å; K332-F361 HydrophobicContact CD-CE1 3.6Å; K332-F361 HydrophobicContact CD-CZ 3.69Å; K332-F361 HydrophobicContact CG-CE1 4.05Å; K332-F361 HydrophobicContact CG-CZ 3.7Å |
| 333 | I | 93 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.5 | 175.5 | -55.8 | -175.2 | 0 | 0 | 0 | 108.6 | W259 F284 M313 T314 M316 I331 I341 E342 | W259-I333 HydrophobicContact CD2-CG2 4.15Å; W259-I333 HydrophobicContact CE3-CG2 3.74Å; W259-I333 HydrophobicContact CH2-CG2 4.2Å; W259-I333 HydrophobicContact CZ3-CG2 3.72Å; F284-I333 HydrophobicContact CE1-CD1 3.65Å; F284-I333 HydrophobicContact CZ-CD1 3.94Å; M313-I333 CarbonylContact C-O 3.59Å; M313-I333 VanDerWaalsContact CA-O 3.23Å; M313-I333 WeakPolarHBondContact CA-O 3.39Å; T314-I333 PolarHBondContact N-O 2.8Å; T314-I333 PolarHBondContact O-N 3.44Å; M316-I333 HydrophobicContact CE-CD1 3.26Å; M316-I333 HydrophobicContact CE-CG1 3.72Å; I331-I333 HydrophobicContact CG2-CG1 3.99Å; I333-I341 HydrophobicContact CG2-CB 4.2Å; I333-I341 HydrophobicContact CG2-CD1 4.1Å; I333-E342 CarbonylContact C-O 3.53Å; I333-E342 WeakPolarHBondContact CA-O 3.35Å |
| 334 | Y | 93.5 | Very high | 92.2 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.7 | 177.2 | -62.9 | -93.2 | 0 | 0 | 0 | 110 | A312 M313 K332 R336 I341 E342 V344 Q363 F368 | A312-Y334 CarbonylContact O-C 3.59Å; A312-Y334 WeakPolarHBondContact O-CA 3.24Å; M313-Y334 HydrophobicContact CB-CD1 3.76Å; M313-Y334 HydrophobicContact CB-CE1 3.92Å; M313-Y334 HydrophobicContact CB-CG 4.48Å; M313-Y334 HydrophobicContact CG-CD1 3.62Å; M313-Y334 HydrophobicContact CG-CD2 4.47Å; M313-Y334 HydrophobicContact CG-CE1 3.44Å; M313-Y334 VanDerWaalsContact CG-CE1 3.44Å; M313-Y334 HydrophobicContact CG-CE2 4.32Å; M313-Y334 HydrophobicContact CG-CG 4.15Å; K332-Y334 HydrophobicContact CB-CE2 3.84Å; Y334-R336 PolarHBondContact O-N 3.27Å; Y334-I341 VanDerWaalsContact O-CA 3.28Å; Y334-I341 WeakPolarHBondContact O-CA 3.31Å; Y334-E342 PolarHBondContact N-O 3.35Å; Y334-E342 PolarHBondContact O-N 2.87Å; Y334-V344 HydrophobicContact CE2-CG2 4.26Å; Y334-Q363 VanDerWaalsContact OH-CD 3.29Å; Y334-Q363 PolarHBondContact OH-NE2 3.25Å; Y334-Q363 PolarHBondContact OH-OE1 3.4Å; Y334-F368 HydrophobicContact CD2-CE1 4.14Å; Y334-F368 AromaticContact CE2-CE1 3.89Å; Y334-F368 HydrophobicContact CE2-CE1 3.89Å |
| 335 | K | 89.4 | Confident | 92.4 | Very high | 116 Ų | 116 | 43.4 Ų | 43.4 | 50% | 0.504 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 100.6 | 172.6 | -165 | 175.6 | 176.8 | 179.9 | 0 | 109.7 | W259 A312 | W259-K335 HydrophobicContact CH2-CB 3.94Å; W259-K335 HydrophobicContact CZ3-CB 3.61Å; W259-K335 HydrophobicContact CZ3-CD 4.48Å; W259-K335 HydrophobicContact CZ3-CG 4.2Å; A312-K335 PolarHBondContact O-N 3.31Å |
| 336 | R | 90.9 | Very high | 92.7 | Very high | 143 Ų | 143 | 37.9 Ų | 37.9 | 54% | 0.54 | 18% | 0.176 | S | C | . | . | trans | -79 | -46 | 175 | -62.7 | -58.9 | -175.2 | 179.2 | 1.5 | 111.2 | Y334 I340 E342 | Y334-R336 PolarHBondContact O-N 3.27Å; R336-I340 HydrophobicContact CB-CB 4.4Å; R336-I340 HydrophobicContact CB-CG2 4.26Å; R336-I340 PolarHBondContact N-O 3.45Å; R336-E342 HydrophobicContact CG-CG 4.05Å; R336-E342 IonicContact CZ-OE2 3.59Å; R336-E342 VanDerWaalsContact NE-CD 3.27Å; R336-E342 IonicContact NE-OE1 2.64Å; R336-E342 IonicContact NE-OE2 3.59Å; R336-E342 PolarHBondContact NE-OE2 2.9Å; R336-E342 IonicContact NH2-OE2 2.69Å; R336-E342 PolarHBondContact NH2-OE2 3.2Å | ||
| 337 | N | 86.7 | Confident | 92.9 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -153.6 | -160.6 | 168.8 | 67.1 | 30.7 | 0 | 0 | 0 | 111 | W339 I340 | N337-W339 VanDerWaalsContact C-N 3.26Å; N337-W339 PolarHBondContact O-N 2.74Å; N337-W339 WeakPolarHBondContact OD1-CA 3.07Å; N337-W339 PolarHBondContact OD1-N 2.84Å; N337-I340 PolarHBondContact N-O 2.93Å; N337-I340 VanDerWaalsContact N-O 3.08Å; N337-I340 WeakPolarHBondContact OD1-CB 3.39Å; N337-I340 PolarHBondContact OD1-N 3.23Å |
| 338 | A | 82 | Confident | 93 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 38% | 0.38 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -70.2 | -18.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R271 | R271-A338 PolarHBondContact NH1-O 2.81Å; R271-A338 PolarHBondContact NH2-O 3.02Å |
| 339 | W | 85.6 | Confident | 93.1 | Very high | 58 Ų | 58 | 42.1 Ų | 42.1 | 22% | 0.22 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -128 | -7.8 | -169.2 | -50.1 | 111.5 | 0 | 0 | 0 | 113.9 | W273 N337 I372 D373 L376 | W273-W339 VanDerWaalsContact CZ3-O 3.31Å; W273-W339 WeakPolarHBondContact CZ3-O 3.47Å; N337-W339 VanDerWaalsContact C-N 3.26Å; N337-W339 PolarHBondContact O-N 2.74Å; N337-W339 WeakPolarHBondContact OD1-CA 3.07Å; N337-W339 PolarHBondContact OD1-N 2.84Å; W339-I372 CarbonylContact O-C 3.53Å; W339-I372 WeakPolarHBondContact O-CA 3.23Å; W339-D373 HydrophobicContact CB-CB 4.41Å; W339-D373 HydrophobicContact CE3-CB 3.75Å; W339-D373 HydrophobicContact CZ3-CB 4.49Å; W339-D373 PolarHBondContact O-N 3.22Å; W339-L376 HydrophobicContact CB-CD1 3.73Å; W339-L376 HydrophobicContact CD2-CD1 3.86Å; W339-L376 HydrophobicContact CE3-CD1 4.41Å; W339-L376 HydrophobicContact CG-CD1 3.54Å |
| 340 | I | 89.7 | Confident | 92.9 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 28% | 0.277 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 125.7 | -177.3 | -52.8 | 179.3 | 0 | 0 | 0 | 107.9 | R336 N337 T370 L371 I372 | R336-I340 HydrophobicContact CB-CB 4.4Å; R336-I340 HydrophobicContact CB-CG2 4.26Å; R336-I340 PolarHBondContact N-O 3.45Å; N337-I340 PolarHBondContact N-O 2.93Å; N337-I340 VanDerWaalsContact N-O 3.08Å; N337-I340 WeakPolarHBondContact OD1-CB 3.39Å; N337-I340 PolarHBondContact OD1-N 3.23Å; I340-T370 HydrophobicContact CG2-CG2 3.78Å; I340-L371 WeakPolarHBondContact CA-O 3.34Å; I340-I372 HydrophobicContact CG1-CG2 4.37Å |
| 341 | I | 91.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 155.1 | 170.1 | 63.5 | -179.9 | 0 | 0 | 0 | 109.2 | W259 W273 F284 I333 Y334 L371 | W259-I341 HydrophobicContact CE3-CG2 4.38Å; W259-I341 HydrophobicContact CZ3-CG2 4.42Å; W273-I341 HydrophobicContact CD2-CD1 3.73Å; W273-I341 HydrophobicContact CD2-CG1 4.18Å; W273-I341 HydrophobicContact CE3-CD1 3.86Å; W273-I341 HydrophobicContact CE3-CG1 3.76Å; W273-I341 HydrophobicContact CG-CD1 4.25Å; W273-I341 HydrophobicContact CH2-CB 4.44Å; W273-I341 HydrophobicContact CH2-CD1 4.21Å; W273-I341 HydrophobicContact CH2-CG1 4.17Å; W273-I341 HydrophobicContact CH2-CG2 3.61Å; W273-I341 HydrophobicContact CZ2-CD1 4.07Å; W273-I341 HydrophobicContact CZ2-CG2 4.13Å; W273-I341 HydrophobicContact CZ3-CB 4.29Å; W273-I341 HydrophobicContact CZ3-CD1 4.09Å; W273-I341 HydrophobicContact CZ3-CG1 3.75Å; W273-I341 HydrophobicContact CZ3-CG2 3.92Å; F284-I341 HydrophobicContact CZ-CD1 4.49Å; I333-I341 HydrophobicContact CG2-CB 4.2Å; I333-I341 HydrophobicContact CG2-CD1 4.1Å; Y334-I341 VanDerWaalsContact O-CA 3.28Å; Y334-I341 WeakPolarHBondContact O-CA 3.31Å; I341-L371 HydrophobicContact CD1-CB 4.26Å; I341-L371 HydrophobicContact CD1-CD1 3.97Å; I341-L371 HydrophobicContact CG1-CB 3.73Å; I341-L371 HydrophobicContact CG1-CD1 4.18Å; I341-L371 HydrophobicContact CG1-CG 4.27Å; I341-L371 PolarHBondContact N-O 3.08Å; I341-L371 PolarHBondContact O-N 2.78Å |
| 342 | E | 94 | Very high | 92.7 | Very high | 38 Ų | 38 | 50.2 Ų | 50.2 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 138.3 | 168.7 | -72 | 173.7 | 175.8 | 0 | 0 | 109.1 | I333 Y334 R336 F368 E369 | I333-E342 CarbonylContact C-O 3.53Å; I333-E342 WeakPolarHBondContact CA-O 3.35Å; Y334-E342 PolarHBondContact N-O 3.35Å; Y334-E342 PolarHBondContact O-N 2.87Å; R336-E342 HydrophobicContact CG-CG 4.05Å; R336-E342 IonicContact CZ-OE2 3.59Å; R336-E342 VanDerWaalsContact NE-CD 3.27Å; R336-E342 IonicContact NE-OE1 2.64Å; R336-E342 IonicContact NE-OE2 3.59Å; R336-E342 PolarHBondContact NE-OE2 2.9Å; R336-E342 IonicContact NH2-OE2 2.69Å; R336-E342 PolarHBondContact NH2-OE2 3.2Å; E342-F368 HydrophobicContact CB-CD1 4.29Å; E342-E369 CarbonylContact C-O 3.52Å; E342-E369 VanDerWaalsContact CA-O 3.31Å; E342-E369 WeakPolarHBondContact CA-O 3.38Å |
| 343 | T | 93.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.3 | 176.8 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | K332 E369 L371 | K332-T343 CarbonylContact O-C 3.53Å; K332-T343 WeakPolarHBondContact O-CA 3.46Å; T343-E369 HydrophobicContact CG2-CB 3.89Å; T343-E369 HydrophobicContact CG2-CG 4.47Å; T343-E369 PolarHBondContact N-O 3.3Å; T343-E369 PolarHBondContact O-N 2.76Å; T343-L371 HydrophobicContact CG2-CD1 3.92Å; T343-L371 HydrophobicContact CG2-CG 4.14Å |
| 344 | V | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.6 | 170.4 | -175.8 | 0 | 0 | 0 | 0 | 107.1 | I331 K332 Y334 F361 L366 F368 | I331-V344 WeakPolarHBondContact CA-O 3.4Å; K332-V344 PolarHBondContact N-O 2.95Å; K332-V344 PolarHBondContact O-N 2.71Å; Y334-V344 HydrophobicContact CE2-CG2 4.26Å; V344-F361 HydrophobicContact CB-CE2 4.47Å; V344-F361 HydrophobicContact CB-CZ 4.1Å; V344-F361 HydrophobicContact CG1-CE2 4.05Å; V344-F361 HydrophobicContact CG1-CZ 3.8Å; V344-L366 HydrophobicContact CG1-CB 3.62Å; V344-L366 HydrophobicContact CG1-CD1 4.07Å; V344-F368 HydrophobicContact CG2-CD1 3.34Å; V344-F368 HydrophobicContact CG2-CD2 4.02Å; V344-F368 HydrophobicContact CG2-CE1 3.34Å; V344-F368 HydrophobicContact CG2-CE2 4.01Å; V344-F368 HydrophobicContact CG2-CG 3.7Å; V344-F368 HydrophobicContact CG2-CZ 3.69Å |
| 345 | R | 96 | Very high | 93 | Very high | 62 Ų | 62 | 58.7 Ų | 58.7 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.3 | -177 | -63.1 | -178.1 | -77.7 | 166.5 | 4.1 | 109 | Y282 I331 E369 | Y282-R345 PolarHBondContact OH-NH1 2.9Å; Y282-R345 VanDerWaalsContact OH-NH1 3.17Å; Y282-R345 PolarHBondContact OH-NH2 2.84Å; I331-R345 HydrophobicContact CD1-CG 4.24Å; I331-R345 HydrophobicContact CG1-CG 4.09Å; I331-R345 HydrophobicContact CG2-CG 4.17Å; R345-E369 IonicContact CZ-OE2 2.81Å; R345-E369 IonicContact NE-OE2 3.1Å; R345-E369 IonicContact NH2-OE1 3.58Å; R345-E369 IonicContact NH2-OE2 2.91Å; R345-E369 PolarHBondContact NH2-OE2 2.87Å |
| 346 | G | 97.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | trans | -78.5 | -173.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q329 C330 Y360 | Q329-G346 WeakPolarHBondContact CG-O 3.49Å; Q329-G346 PolarHBondContact NE2-O 2.98Å; C330-G346 PolarHBondContact O-N 2.82Å; G346-Y360 CarbonylContact C-O 3.48Å; G346-Y360 VanDerWaalsContact CA-O 3.23Å; G346-Y360 WeakPolarHBondContact CA-O 3.36Å | ||
| 347 | Y | 96.9 | Very high | 93.7 | Very high | 148 Ų | 148 | 50.4 Ų | 50.4 | 58% | 0.58 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -81.3 | 163.2 | 172.5 | -59.9 | -74.6 | 0 | 0 | 0 | 111.6 | A349 Y360 L366 | Y347-A349 PolarHBondContact O-N 3.27Å; Y347-Y360 PolarHBondContact N-O 3.02Å; Y347-L366 HydrophobicContact CD2-CD2 4.39Å; Y347-L366 HydrophobicContact CE2-CD2 3.82Å |
| 348 | L | 96.6 | Very high | 94.1 | Very high | 44 Ų | 44 | 54 Ų | 54 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 120.1 | 174.9 | -63.4 | 179.9 | 0 | 0 | 0 | 110.3 | T320 E325 Y328 Q329 Y360 | T320-L348 HydrophobicContact CG2-CD2 4.09Å; E325-L348 HydrophobicContact CB-CD1 4.11Å; Y328-L348 CarbonylContact O-C 3.56Å; Q329-L348 HydrophobicContact CB-CD2 4.17Å; L348-Y360 WeakPolarHBondContact O-CD1 3.38Å; L348-Y360 WeakPolarHBondContact O-CE1 3.4Å |
| 349 | A | 96.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -101.2 | 152.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G327 Y328 Y347 T351 Q354 A355 Y360 | G327-A349 WeakPolarHBondContact CA-O 3.25Å; Y328-A349 PolarHBondContact N-O 2.85Å; Y328-A349 PolarHBondContact O-N 2.9Å; Y347-A349 PolarHBondContact O-N 3.27Å; A349-T351 VanDerWaalsContact C-N 3.33Å; A349-T351 PolarHBondContact O-N 3.49Å; A349-Q354 HydrophobicContact CB-CB 4.18Å; A349-A355 HydrophobicContact CB-CB 4.27Å; A349-Y360 HydrophobicContact CB-CD1 3.66Å; A349-Y360 HydrophobicContact CB-CD2 4.01Å; A349-Y360 HydrophobicContact CB-CE1 3.94Å; A349-Y360 HydrophobicContact CB-CE2 4.3Å; A349-Y360 HydrophobicContact CB-CG 3.71Å |
| 350 | P | 93.3 | Very high | 95.4 | Very high | 85 Ų | 85 | 57.9 Ų | 57.9 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -75.4 | -21.3 | -179.3 | 28.5 | -32.7 | 0 | 0 | 0 | 113.2 | ||
| 351 | T | 94.1 | Very high | 95.7 | Very high | 60 Ų | 60 | 55.7 Ų | 55.7 | 37% | 0.368 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -132.5 | 152.4 | -179.9 | 69 | 0 | 0 | 0 | 0 | 112 | A349 F353 Q354 A355 | A349-T351 VanDerWaalsContact C-N 3.33Å; A349-T351 PolarHBondContact O-N 3.49Å; T351-F353 VanDerWaalsContact C-N 3.27Å; T351-F353 PolarHBondContact O-N 2.86Å; T351-Q354 PolarHBondContact O-N 2.76Å; T351-Q354 WeakPolarHBondContact OG1-CG 3.17Å; T351-Q354 PolarHBondContact OG1-N 2.85Å; T351-Q354 PolarHBondContact OG1-OE1 3.3Å; T351-A355 PolarHBondContact O-N 3.04Å |
| 352 | A | 94 | Very high | 95.9 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 28% | 0.281 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -40.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V317 Y328 Q354 A355 | V317-A352 HydrophobicContact CG1-CB 4.11Å; Y328-A352 HydrophobicContact CD1-CB 3.61Å; Y328-A352 HydrophobicContact CE1-CB 3.74Å; Y328-A352 HydrophobicContact CG-CB 4.12Å; A352-Q354 VanDerWaalsContact C-N 3.33Å; A352-Q354 PolarHBondContact O-N 3.17Å; A352-A355 WeakPolarHBondContact O-CB 3.33Å; A352-A355 PolarHBondContact O-N 2.76Å |
| 353 | F | 94.4 | Very high | 95.9 | Very high | 193 Ų | 193 | 58 Ų | 58 | 85% | 0.846 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -37.3 | -179.7 | -179.9 | -100.5 | 0 | 0 | 0 | 113 | T351 | T351-F353 VanDerWaalsContact C-N 3.27Å; T351-F353 PolarHBondContact O-N 2.86Å |
| 354 | Q | 96.8 | Very high | 95.9 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -17.6 | 179.9 | -71.8 | 170.9 | -49.2 | 0 | 0 | 113.4 | A349 T351 A352 C356 S357 Y360 | A349-Q354 HydrophobicContact CB-CB 4.18Å; T351-Q354 PolarHBondContact O-N 2.76Å; T351-Q354 WeakPolarHBondContact OG1-CG 3.17Å; T351-Q354 PolarHBondContact OG1-N 2.85Å; T351-Q354 PolarHBondContact OG1-OE1 3.3Å; A352-Q354 VanDerWaalsContact C-N 3.33Å; A352-Q354 PolarHBondContact O-N 3.17Å; Q354-C356 PolarHBondContact O-N 2.65Å; Q354-C356 VanDerWaalsContact O-N 3.14Å; Q354-S357 WeakPolarHBondContact O-CB 3.23Å; Q354-S357 PolarHBondContact O-N 2.76Å; Q354-S357 PolarHBondContact O-OG 2.92Å; Q354-Y360 HydrophobicContact CB-CD2 4.33Å; Q354-Y360 HydrophobicContact CB-CE2 4.31Å |
| 355 | A | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -37.6 | -171 | 0 | 0 | 0 | 0 | 0 | 113.7 | V317 C330 A349 T351 A352 | V317-A355 HydrophobicContact CG1-CB 3.89Å; C330-A355 HydrophobicContact CB-CB 4.44Å; C330-A355 WeakPolarHBondContact CB-O 3.44Å; A349-A355 HydrophobicContact CB-CB 4.27Å; T351-A355 PolarHBondContact O-N 3.04Å; A352-A355 WeakPolarHBondContact O-CB 3.33Å; A352-A355 PolarHBondContact O-N 2.76Å |
| 356 | C | 97.3 | Very high | 95.8 | Very high | 45 Ų | 45 | 68.1 Ų | 68.1 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 15.5 | 178.5 | -62 | 0 | 0 | 0 | 0 | 113.5 | C330 Q354 | C330-C356 HydrophobicContact CB-CB 3.81Å; C330-C356 WeakPolarHBondContact CB-SG 3.47Å; C330-C356 WeakPolarHBondContact SG-CB 3.28Å; C330-C356 CovalentContact SG-SG 2.05Å; C330-C356 PolarHBondContact SG-SG 2.91Å; Q354-C356 PolarHBondContact O-N 2.65Å; Q354-C356 VanDerWaalsContact O-N 3.14Å |
| 357 | S | 97.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 72.2 Ų | 72.2 | 28% | 0.28 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -72.7 | 157.9 | 172.4 | 79 | 0 | 0 | 0 | 0 | 110.6 | Q354 E359 Y360 F361 | Q354-S357 WeakPolarHBondContact O-CB 3.23Å; Q354-S357 PolarHBondContact O-N 2.76Å; Q354-S357 PolarHBondContact O-OG 2.92Å; S357-E359 PolarHBondContact O-N 2.84Å; S357-E359 VanDerWaalsContact O-N 3.07Å; S357-E359 PolarHBondContact OG-N 2.77Å; S357-Y360 PolarHBondContact O-N 2.91Å; S357-F361 PolarHBondContact O-N 2.87Å |
| 358 | E | 95.9 | Very high | 95.5 | Very high | 146 Ų | 146 | 69 Ų | 69 | 68% | 0.682 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -24.7 | 177.1 | -73.6 | -68.6 | 152.3 | 0 | 0 | 113.5 | ||
| 359 | E | 96.4 | Very high | 95.4 | Very high | 141 Ų | 141 | 67.5 Ų | 67.5 | 66% | 0.659 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -39.6 | 177.1 | -174.2 | -178.8 | -177.2 | 0 | 0 | 112.3 | S357 | S357-E359 PolarHBondContact O-N 2.84Å; S357-E359 VanDerWaalsContact O-N 3.07Å; S357-E359 PolarHBondContact OG-N 2.77Å |
| 360 | Y | 97.2 | Very high | 95.3 | Very high | 46 Ų | 46 | 69.1 Ų | 69.1 | 18% | 0.18 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -17.5 | -176.2 | -64.4 | -89.2 | 0 | 0 | 0 | 113 | G346 Y347 L348 A349 Q354 S357 | G346-Y360 CarbonylContact C-O 3.48Å; G346-Y360 VanDerWaalsContact CA-O 3.23Å; G346-Y360 WeakPolarHBondContact CA-O 3.36Å; Y347-Y360 PolarHBondContact N-O 3.02Å; L348-Y360 WeakPolarHBondContact O-CD1 3.38Å; L348-Y360 WeakPolarHBondContact O-CE1 3.4Å; A349-Y360 HydrophobicContact CB-CD1 3.66Å; A349-Y360 HydrophobicContact CB-CD2 4.01Å; A349-Y360 HydrophobicContact CB-CE1 3.94Å; A349-Y360 HydrophobicContact CB-CE2 4.3Å; A349-Y360 HydrophobicContact CB-CG 3.71Å; Q354-Y360 HydrophobicContact CB-CD2 4.33Å; Q354-Y360 HydrophobicContact CB-CE2 4.31Å; S357-Y360 PolarHBondContact O-N 2.91Å |
| 361 | F | 97.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.035 | 34% | 0.338 | C | S | . | . | trans | -140.1 | 69.8 | -178.3 | -162.3 | -87.3 | 0 | 0 | 0 | 111.8 | C330 K332 V344 S357 Q363 L366 | C330-F361 HydrophobicContact CB-CB 4.07Å; C330-F361 HydrophobicContact CB-CD2 3.58Å; C330-F361 HydrophobicContact CB-CE2 4.27Å; C330-F361 HydrophobicContact CB-CG 3.92Å; C330-F361 WeakPolarHBondContact O-CD2 3.11Å; C330-F361 WeakPolarHBondContact O-CE2 2.99Å; K332-F361 HydrophobicContact CB-CZ 4.06Å; K332-F361 HydrophobicContact CD-CE1 3.6Å; K332-F361 HydrophobicContact CD-CZ 3.69Å; K332-F361 HydrophobicContact CG-CE1 4.05Å; K332-F361 HydrophobicContact CG-CZ 3.7Å; V344-F361 HydrophobicContact CB-CE2 4.47Å; V344-F361 HydrophobicContact CB-CZ 4.1Å; V344-F361 HydrophobicContact CG1-CE2 4.05Å; V344-F361 HydrophobicContact CG1-CZ 3.8Å; S357-F361 PolarHBondContact O-N 2.87Å; F361-Q363 HydrophobicContact CE1-CB 4.05Å; F361-Q363 PolarHBondContact O-N 2.05Å; F361-L366 HydrophobicContact CD2-CD1 3.89Å; F361-L366 HydrophobicContact CE2-CD1 4.11Å; F361-L366 HydrophobicContact CG-CD1 4.23Å | ||
| 362 | D | 95.9 | Very high | 95.2 | Very high | 26 Ų | 26 | 64.2 Ų | 64.2 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | trans | -88.7 | 99.3 | 165.6 | -177.3 | -16 | 0 | 0 | 0 | 109.6 | S364 K365 L366 | D362-S364 PolarHBondContact O-N 2.9Å; D362-S364 VanDerWaalsContact O-N 3.11Å; D362-S364 WeakPolarHBondContact OD1-CB 3.09Å; D362-S364 PolarHBondContact OD1-N 2.95Å; D362-S364 PolarHBondContact OD1-OG 2.81Å; D362-K365 HydrophobicContact CB-CB 4.41Å; D362-K365 HydrophobicContact CB-CD 4.35Å; D362-K365 HydrophobicContact CB-CG 4.46Å; D362-K365 PolarHBondContact O-N 3.14Å; D362-K365 VanDerWaalsContact OD2-CD 3.23Å; D362-K365 WeakPolarHBondContact OD2-CD 3.38Å; D362-K365 WeakPolarHBondContact OD2-CE 3.23Å; D362-K365 WeakPolarHBondContact OD2-CG 3.39Å; D362-K365 IonicContact OD2-NZ 3.3Å; D362-K365 PolarHBondContact OD2-NZ 2.81Å; D362-L366 VanDerWaalsContact O-CG 3.29Å; D362-L366 WeakPolarHBondContact O-CG 3.36Å; D362-L366 PolarHBondContact O-N 3.4Å | ||
| 363 | Q | 93.5 | Very high | 94.9 | Very high | 62 Ų | 62 | 62.7 Ų | 62.7 | 29% | 0.29 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.8 | -176.8 | -172.2 | 175.1 | -50 | 0 | 0 | 113.3 | Y334 F361 K365 F368 | Y334-Q363 VanDerWaalsContact OH-CD 3.29Å; Y334-Q363 PolarHBondContact OH-NE2 3.25Å; Y334-Q363 PolarHBondContact OH-OE1 3.4Å; F361-Q363 HydrophobicContact CE1-CB 4.05Å; F361-Q363 PolarHBondContact O-N 2.05Å; Q363-K365 VanDerWaalsContact C-N 3.26Å; Q363-K365 PolarHBondContact O-N 2.74Å; Q363-F368 HydrophobicContact CG-CE2 4.48Å; Q363-F368 HydrophobicContact CG-CZ 4.17Å |
| 364 | S | 93.6 | Very high | 94.4 | Very high | 106 Ų | 106 | 55.9 Ų | 55.9 | 74% | 0.741 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -21.5 | 179.4 | 73.7 | 0 | 0 | 0 | 0 | 113 | D362 | D362-S364 PolarHBondContact O-N 2.9Å; D362-S364 VanDerWaalsContact O-N 3.11Å; D362-S364 WeakPolarHBondContact OD1-CB 3.09Å; D362-S364 PolarHBondContact OD1-N 2.95Å; D362-S364 PolarHBondContact OD1-OG 2.81Å |
| 365 | K | 94.4 | Very high | 93.7 | Very high | 160 Ų | 160 | 57.2 Ų | 57.2 | 70% | 0.696 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -14.7 | -178.8 | -64 | -179.1 | -175 | 127.9 | 0 | 113.7 | D362 Q363 | D362-K365 HydrophobicContact CB-CB 4.41Å; D362-K365 HydrophobicContact CB-CD 4.35Å; D362-K365 HydrophobicContact CB-CG 4.46Å; D362-K365 PolarHBondContact O-N 3.14Å; D362-K365 VanDerWaalsContact OD2-CD 3.23Å; D362-K365 WeakPolarHBondContact OD2-CD 3.38Å; D362-K365 WeakPolarHBondContact OD2-CE 3.23Å; D362-K365 WeakPolarHBondContact OD2-CG 3.39Å; D362-K365 IonicContact OD2-NZ 3.3Å; D362-K365 PolarHBondContact OD2-NZ 2.81Å; Q363-K365 VanDerWaalsContact C-N 3.26Å; Q363-K365 PolarHBondContact O-N 2.74Å |
| 366 | L | 95.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -90.7 | 139.8 | -175.3 | -68.6 | 170.2 | 0 | 0 | 0 | 111.7 | V344 Y347 F361 D362 | V344-L366 HydrophobicContact CG1-CB 3.62Å; V344-L366 HydrophobicContact CG1-CD1 4.07Å; Y347-L366 HydrophobicContact CD2-CD2 4.39Å; Y347-L366 HydrophobicContact CE2-CD2 3.82Å; F361-L366 HydrophobicContact CD2-CD1 3.89Å; F361-L366 HydrophobicContact CE2-CD1 4.11Å; F361-L366 HydrophobicContact CG-CD1 4.23Å; D362-L366 VanDerWaalsContact O-CG 3.29Å; D362-L366 WeakPolarHBondContact O-CG 3.36Å; D362-L366 PolarHBondContact O-N 3.4Å |
| 367 | P | 93.9 | Very high | 91.9 | Very high | 91 Ų | 91 | 61.2 Ų | 61.2 | 59% | 0.591 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 140.1 | 178.3 | 29.7 | -34 | 0 | 0 | 0 | 111.1 | ||
| 368 | F | 94.3 | Very high | 91.1 | Very high | 81 Ų | 81 | 63.3 Ų | 63.3 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 132.1 | 165.3 | -74.8 | -104.2 | 0 | 0 | 0 | 108.9 | Y334 E342 V344 Q363 | Y334-F368 HydrophobicContact CD2-CE1 4.14Å; Y334-F368 AromaticContact CE2-CE1 3.89Å; Y334-F368 HydrophobicContact CE2-CE1 3.89Å; E342-F368 HydrophobicContact CB-CD1 4.29Å; V344-F368 HydrophobicContact CG2-CD1 3.34Å; V344-F368 HydrophobicContact CG2-CD2 4.02Å; V344-F368 HydrophobicContact CG2-CE1 3.34Å; V344-F368 HydrophobicContact CG2-CE2 4.01Å; V344-F368 HydrophobicContact CG2-CG 3.7Å; V344-F368 HydrophobicContact CG2-CZ 3.69Å; Q363-F368 HydrophobicContact CG-CE2 4.48Å; Q363-F368 HydrophobicContact CG-CZ 4.17Å |
| 369 | E | 94.1 | Very high | 90.5 | Very high | 11 Ų | 11 | 62.6 Ų | 62.6 | 5% | 0.051 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.2 | 174 | -172 | -179.2 | 179.2 | 0 | 0 | 109.2 | S275 M277 Y282 E342 T343 R345 L371 | S275-E369 VanDerWaalsContact CB-OE1 3.24Å; S275-E369 WeakPolarHBondContact CB-OE1 3.29Å; S275-E369 WeakPolarHBondContact OG-CG 3.46Å; S275-E369 PolarHBondContact OG-OE1 2.92Å; M277-E369 HydrophobicContact CG-CG 4.49Å; Y282-E369 VanDerWaalsContact CE2-OE1 3.28Å; Y282-E369 WeakPolarHBondContact CE2-OE1 3.39Å; Y282-E369 VanDerWaalsContact CZ-OE1 3.27Å; Y282-E369 PolarHBondContact OH-OE1 2.97Å; Y282-E369 PolarHBondContact OH-OE2 3.22Å; E342-E369 CarbonylContact C-O 3.52Å; E342-E369 VanDerWaalsContact CA-O 3.31Å; E342-E369 WeakPolarHBondContact CA-O 3.38Å; T343-E369 HydrophobicContact CG2-CB 3.89Å; T343-E369 HydrophobicContact CG2-CG 4.47Å; T343-E369 PolarHBondContact N-O 3.3Å; T343-E369 PolarHBondContact O-N 2.76Å; R345-E369 IonicContact CZ-OE2 2.81Å; R345-E369 IonicContact NE-OE2 3.1Å; R345-E369 IonicContact NH2-OE1 3.58Å; R345-E369 IonicContact NH2-OE2 2.91Å; R345-E369 PolarHBondContact NH2-OE2 2.87Å; E369-L371 HydrophobicContact CG-CD2 3.97Å |
| 370 | T | 94.7 | Very high | 90.1 | Very high | 37 Ų | 37 | 58.7 Ų | 58.7 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 124.3 | 179.7 | -57.3 | 0 | 0 | 0 | 0 | 109.7 | L276 I340 | L276-T370 HydrophobicContact CD1-CG2 3.75Å; L276-T370 HydrophobicContact CG-CG2 4.5Å; L276-T370 PolarHBondContact N-O 3.02Å; I340-T370 HydrophobicContact CG2-CG2 3.78Å |
| 371 | L | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 135 | 177.1 | -44.9 | 178.3 | 0 | 0 | 0 | 110.7 | W273 L274 Y282 F284 I340 I341 T343 E369 | W273-L371 HydrophobicContact CB-CB 4.1Å; W273-L371 HydrophobicContact CB-CD1 4.34Å; W273-L371 HydrophobicContact CE3-CB 4.13Å; L274-L371 CarbonylContact O-C 3.57Å; L274-L371 VanDerWaalsContact O-CA 3.26Å; L274-L371 WeakPolarHBondContact O-CA 3.14Å; Y282-L371 HydrophobicContact CD1-CD1 3.86Å; Y282-L371 HydrophobicContact CD2-CD1 3.98Å; Y282-L371 HydrophobicContact CD2-CD2 3.57Å; Y282-L371 HydrophobicContact CD2-CG 4.43Å; Y282-L371 HydrophobicContact CE1-CD1 4.36Å; Y282-L371 HydrophobicContact CE2-CD1 4.47Å; Y282-L371 HydrophobicContact CE2-CD2 3.58Å; Y282-L371 HydrophobicContact CG-CD1 3.69Å; Y282-L371 HydrophobicContact CG-CD2 4.17Å; F284-L371 HydrophobicContact CE2-CD1 4.49Å; F284-L371 HydrophobicContact CZ-CD1 4.47Å; I340-L371 WeakPolarHBondContact CA-O 3.34Å; I341-L371 HydrophobicContact CD1-CB 4.26Å; I341-L371 HydrophobicContact CD1-CD1 3.97Å; I341-L371 HydrophobicContact CG1-CB 3.73Å; I341-L371 HydrophobicContact CG1-CD1 4.18Å; I341-L371 HydrophobicContact CG1-CG 4.27Å; I341-L371 PolarHBondContact N-O 3.08Å; I341-L371 PolarHBondContact O-N 2.78Å; T343-L371 HydrophobicContact CG2-CD1 3.92Å; T343-L371 HydrophobicContact CG2-CG 4.14Å; E369-L371 HydrophobicContact CG-CD2 3.97Å |
| 372 | I | 91.5 | Very high | 89.1 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 145.9 | 177.9 | 60.5 | 162.6 | 0 | 0 | 0 | 111.4 | W273 L274 L276 W339 I340 S374 | W273-I372 CarbonylContact C-O 3.53Å; W273-I372 VanDerWaalsContact CA-O 3.3Å; W273-I372 WeakPolarHBondContact CA-O 3.49Å; L274-I372 HydrophobicContact CB-CG1 4.09Å; L274-I372 PolarHBondContact N-O 2.91Å; L274-I372 PolarHBondContact O-N 3.41Å; L276-I372 HydrophobicContact CD1-CG2 3.92Å; L276-I372 HydrophobicContact CD2-CD1 3.72Å; L276-I372 HydrophobicContact CD2-CG1 3.98Å; L276-I372 HydrophobicContact CD2-CG2 4.16Å; L276-I372 HydrophobicContact CG-CG1 4.44Å; L276-I372 HydrophobicContact CG-CG2 4.04Å; W339-I372 CarbonylContact O-C 3.53Å; W339-I372 WeakPolarHBondContact O-CA 3.23Å; I340-I372 HydrophobicContact CG1-CG2 4.37Å; I372-S374 PolarHBondContact O-N 2.8Å |
| 373 | D | 88.2 | Confident | 88.8 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.011 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 127.6 | 174.1 | -165.8 | -39.7 | 0 | 0 | 0 | 109.7 | R271 W273 W339 D375 L376 | R271-D373 VanDerWaalsContact CD-OD2 3.29Å; R271-D373 WeakPolarHBondContact CD-OD2 3.32Å; R271-D373 IonicContact CZ-OD2 3.92Å; R271-D373 IonicContact NE-OD2 3.22Å; R271-D373 PolarHBondContact NE-OD2 3.35Å; R271-D373 IonicContact NH2-OD2 2.69Å; W273-D373 HydrophobicContact CE3-CB 4.48Å; W273-D373 HydrophobicContact CZ3-CB 4.3Å; W339-D373 HydrophobicContact CB-CB 4.41Å; W339-D373 HydrophobicContact CE3-CB 3.75Å; W339-D373 HydrophobicContact CZ3-CB 4.49Å; W339-D373 PolarHBondContact O-N 3.22Å; D373-D375 PolarHBondContact O-N 2.82Å; D373-D375 PolarHBondContact OD1-N 2.75Å; D373-L376 WeakPolarHBondContact O-CB 3.43Å; D373-L376 PolarHBondContact O-N 2.64Å; D373-L376 VanDerWaalsContact O-N 3.13Å |
| 374 | S | 84.4 | Confident | 88.7 | Confident | 50 Ų | 50 | 69.2 Ų | 69.2 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25.4 | -179.3 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | V272 I372 L376 | V272-S374 PolarHBondContact O-N 2.74Å; V272-S374 PolarHBondContact O-OG 3.01Å; I372-S374 PolarHBondContact O-N 2.8Å; S374-L376 VanDerWaalsContact C-N 3.27Å; S374-L376 PolarHBondContact O-N 2.94Å |
| 375 | D | 81 | Confident | 88.6 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 17.6 | 179.9 | -64 | -19.6 | 0 | 0 | 0 | 111.9 | D373 A377 | D373-D375 PolarHBondContact O-N 2.82Å; D373-D375 PolarHBondContact OD1-N 2.75Å; D375-A377 PolarHBondContact O-N 3.04Å |
| 376 | L | 78.6 | Confident | 88.4 | Confident | 61 Ų | 61 | 63.8 Ų | 63.8 | 32% | 0.319 | 36% | 0.362 | S | S | . | . | trans | -61.1 | 109.3 | 176.2 | -179.7 | 59.5 | 0 | 0 | 0 | 109.5 | W339 D373 S374 | W339-L376 HydrophobicContact CB-CD1 3.73Å; W339-L376 HydrophobicContact CD2-CD1 3.86Å; W339-L376 HydrophobicContact CE3-CD1 4.41Å; W339-L376 HydrophobicContact CG-CD1 3.54Å; D373-L376 WeakPolarHBondContact O-CB 3.43Å; D373-L376 PolarHBondContact O-N 2.64Å; D373-L376 VanDerWaalsContact O-N 3.13Å; S374-L376 VanDerWaalsContact C-N 3.27Å; S374-L376 PolarHBondContact O-N 2.94Å | ||
| 377 | A | 79.2 | Confident | 88.1 | Confident | 68 Ų | 68 | 68 Ų | 68 | 56% | 0.562 | 38% | 0.378 | S | S | * | . | trans | -62.7 | 128.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108 | D375 Q379 | D375-A377 PolarHBondContact O-N 3.04Å; A377-Q379 WeakPolarHBondContact O-CG 3.24Å; A377-Q379 PolarHBondContact O-N 2.91Å | ||
| 378 | P | 80.6 | Confident | 87.7 | Confident | 84 Ų | 84 | 71 Ų | 71 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | trans | -55.6 | 135.5 | 178.5 | 19 | -29.1 | 0 | 0 | 0 | 109.8 | Q407 | P378-Q407 HydrophobicContact CB-CB 4.13Å; P378-Q407 HydrophobicContact CB-CG 4.17Å; P378-Q407 VanDerWaalsContact CB-OE1 3.3Å; P378-Q407 VanDerWaalsContact CG-OE1 3.23Å; P378-Q407 PolarHBondContact O-NE2 3.07Å | ||
| 379 | Q | 82.9 | Confident | 87.1 | Confident | 131 Ų | 131 | 69.4 Ų | 69.4 | 61% | 0.612 | 38% | 0.381 | S | S | * | . | trans | -108.1 | 152.2 | -177 | -63 | -165.9 | -23.2 | 0 | 0 | 109.5 | A377 C381 | A377-Q379 WeakPolarHBondContact O-CG 3.24Å; A377-Q379 PolarHBondContact O-N 2.91Å; Q379-C381 PolarHBondContact O-N 3.07Å | ||
| 380 | S | 88.1 | Confident | 86.4 | Confident | 58 Ų | 58 | 75.6 Ų | 75.6 | 41% | 0.406 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 132.9 | 174.9 | -50.1 | 0 | 0 | 0 | 0 | 109.4 | E406 | S380-E406 CarbonylContact C-O 3.6Å; S380-E406 VanDerWaalsContact CA-O 3.24Å; S380-E406 WeakPolarHBondContact CA-O 3.31Å; S380-E406 PolarHBondContact OG-OE2 2.87Å |
| 381 | C | 87.2 | Confident | 85.5 | Confident | 21 Ų | 21 | 75.1 Ų | 75.1 | 14% | 0.142 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 137.7 | -177.9 | -65.5 | 0 | 0 | 0 | 0 | 110.5 | Q379 K384 I401 E406 R408 | Q379-C381 PolarHBondContact O-N 3.07Å; C381-K384 WeakPolarHBondContact O-CG 3.47Å; C381-I401 HydrophobicContact CB-CG2 3.4Å; C381-I401 VanDerWaalsContact CB-CG2 3.4Å; C381-E406 PolarHBondContact N-O 2.78Å; C381-R408 VanDerWaalsContact SG-C 3.52Å |
| 382 | P | 87.2 | Confident | 84.3 | Confident | 97 Ų | 97 | 76.4 Ų | 76.4 | 63% | 0.63 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -67 | 156.4 | 170 | 31 | -34.3 | 0 | 0 | 0 | 109.6 | I401 | P382-I401 VanDerWaalsContact O-CG2 3.31Å; P382-I401 WeakPolarHBondContact O-CG2 3.37Å |
| 383 | H | 89.5 | Confident | 82.8 | Confident | 149 Ų | 149 | 79.1 Ų | 79.1 | 69% | 0.69 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 55.5 | 53 | 178.9 | -52.2 | -74.5 | 0 | 0 | 0 | 113 | G385 Y387 I401 | H383-G385 PolarHBondContact O-N 3.07Å; H383-Y387 VanDerWaalsContact O-CE2 3.29Å; H383-Y387 WeakPolarHBondContact O-CE2 3.29Å; H383-Y387 PolarHBondContact O-OH 3.49Å; H383-I401 WeakPolarHBondContact O-CB 3.34Å |
| 384 | K | 90.3 | Very high | 81.5 | Confident | 97 Ų | 97 | 88.3 Ų | 88.3 | 42% | 0.422 | 49% | 0.488 | S | S | . | . | trans | -57.2 | 135.4 | 175.8 | -65.8 | -174 | 178.2 | 178.4 | 0 | 110.4 | C381 I401 E406 | C381-K384 WeakPolarHBondContact O-CG 3.47Å; K384-I401 CarbonylContact C-O 3.54Å; K384-I401 VanDerWaalsContact CA-O 3.25Å; K384-I401 WeakPolarHBondContact CA-O 3.25Å; K384-E406 IonicContact NZ-OE1 2.75Å; K384-E406 PolarHBondContact NZ-OE1 2.99Å; K384-E406 IonicContact NZ-OE2 3.23Å; K384-E406 PolarHBondContact NZ-OE2 2.95Å | ||
| 385 | G | 91.3 | Very high | 80.3 | Confident | 21 Ų | 21 | 90.3 Ų | 90.3 | 22% | 0.216 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.1 | 169.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | H383 Y387 I401 C403 | H383-G385 PolarHBondContact O-N 3.07Å; G385-Y387 WeakPolarHBondContact O-CD2 3.29Å; G385-Y387 WeakPolarHBondContact O-CE2 3.49Å; G385-I401 PolarHBondContact N-O 3.46Å; G385-I401 PolarHBondContact O-N 3.11Å; G385-C403 PolarHBondContact O-SG 3.22Å; G385-C403 VanDerWaalsContact O-SG 3.41Å |
| 386 | L | 90.3 | Very high | 79.8 | Confident | 130 Ų | 130 | 93.1 Ų | 93.1 | 68% | 0.681 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.7 | 168.7 | -154.8 | 91.9 | 0 | 0 | 0 | 107.9 | ||
| 387 | Y | 89.3 | Confident | 80 | Confident | 102 Ų | 102 | 90.3 Ų | 90.3 | 40% | 0.4 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.9 | -177.8 | -60.8 | -91.2 | 0 | 0 | 0 | 109.5 | H383 G385 A398 V399 I401 | H383-Y387 VanDerWaalsContact O-CE2 3.29Å; H383-Y387 WeakPolarHBondContact O-CE2 3.29Å; H383-Y387 PolarHBondContact O-OH 3.49Å; G385-Y387 WeakPolarHBondContact O-CD2 3.29Å; G385-Y387 WeakPolarHBondContact O-CE2 3.49Å; Y387-A398 CarbonylContact O-C 3.55Å; Y387-A398 VanDerWaalsContact O-CA 3.31Å; Y387-A398 WeakPolarHBondContact O-CA 3.46Å; Y387-V399 PolarHBondContact N-O 3.41Å; Y387-V399 PolarHBondContact O-N 2.96Å; Y387-I401 HydrophobicContact CD2-CD1 3.86Å; Y387-I401 HydrophobicContact CD2-CG1 4.03Å; Y387-I401 HydrophobicContact CE2-CB 4.34Å; Y387-I401 HydrophobicContact CE2-CD1 3.69Å; Y387-I401 HydrophobicContact CE2-CG1 4.02Å |
| 388 | Q | 85.5 | Confident | 80.4 | Confident | 153 Ų | 153 | 88.4 Ų | 88.4 | 72% | 0.715 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133.9 | 171.5 | -168.5 | 172.7 | 12.9 | 0 | 0 | 109.3 | V390 | Q388-V390 PolarHBondContact O-N 3.5Å |
| 389 | V | 80.6 | Confident | 80.8 | Confident | 47 Ų | 47 | 85.7 Ų | 85.7 | 29% | 0.285 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 119.5 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | S397 V399 | V389-S397 PolarHBondContact N-O 3.19Å; V389-V399 HydrophobicContact CG2-CG2 3.85Å |
| 390 | V | 80.7 | Confident | 81.2 | Confident | 141 Ų | 141 | 80.4 Ų | 80.4 | 86% | 0.855 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 141.2 | -179.6 | -170.2 | 0 | 0 | 0 | 0 | 109.8 | Q388 | Q388-V390 PolarHBondContact O-N 3.5Š|
| 391 | G | 75.2 | Confident | 81.4 | Confident | 27 Ų | 27 | 78.7 Ų | 78.7 | 28% | 0.278 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | 7.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S421 | G391-S421 PolarHBondContact O-N 3.02Š|
| 392 | C | 67.9 | Low | 81.4 | Confident | 27 Ų | 27 | 78.1 Ų | 78.1 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -108.1 | 97.7 | 168.5 | -55.4 | 0 | 0 | 0 | 0 | 108 | E394 C415 | C392-E394 PolarHBondContact O-N 3.41Å; C392-C415 HydrophobicContact CB-CB 3.85Å; C392-C415 WeakPolarHBondContact CB-SG 2.97Å; C392-C415 WeakPolarHBondContact SG-CB 3Å; C392-C415 CovalentContact SG-SG 1.99Å; C392-C415 PolarHBondContact SG-SG 3.44Å |
| 393 | D | 61 | Low | 81.3 | Confident | 100 Ų | 100 | 76.9 Ų | 76.9 | 54% | 0.535 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -70.6 | 128.9 | 179.7 | -76.6 | -30.3 | 0 | 0 | 0 | 109.5 | Q395 | D393-Q395 PolarHBondContact O-N 2.97Š|
| 394 | E | 59.9 | Low | 81 | Confident | 195 Ų | 195 | 73.6 Ų | 73.6 | 91% | 0.911 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 75.5 | -10 | 172.5 | -53.8 | -170.8 | 170.2 | 0 | 0 | 119.5 | C392 | C392-E394 PolarHBondContact O-N 3.41Š|
| 395 | Q | 59.3 | Low | 80.9 | Confident | 92 Ų | 92 | 73.4 Ų | 73.4 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -116.7 | 120.4 | 172.6 | -60.1 | -163.2 | 29.3 | 0 | 0 | 112.2 | D393 S397 K414 | D393-Q395 PolarHBondContact O-N 2.97Å; Q395-S397 PolarHBondContact O-N 2.89Å; Q395-K414 HydrophobicContact CB-CB 3.83Å; Q395-K414 PolarHBondContact OE1-O 1.99Å; Q395-K414 VanDerWaalsContact OE1-O 3.04Å |
| 396 | E | 71.1 | Confident | 80.8 | Confident | 155 Ų | 155 | 77.5 Ų | 77.5 | 72% | 0.724 | 42% | 0.415 | S | S | * | . | trans | -63.2 | 76.5 | 178 | -69.9 | -174.9 | 166.9 | 0 | 0 | 111.3 | ||||
| 397 | S | 83.5 | Confident | 80.7 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.007 | 41% | 0.405 | C | S | . | . | trans | -75.6 | 124.2 | 166.4 | -63.9 | 0 | 0 | 0 | 0 | 107.9 | V389 Q395 D412 K414 C415 | V389-S397 PolarHBondContact N-O 3.19Å; Q395-S397 PolarHBondContact O-N 2.89Å; S397-D412 CarbonylContact C-O 3.36Å; S397-D412 VanDerWaalsContact CA-O 3.23Å; S397-D412 WeakPolarHBondContact CA-O 3.31Å; S397-K414 WeakPolarHBondContact OG-CA 3.31Å; S397-K414 PolarHBondContact OG-N 2.81Å; S397-C415 PolarHBondContact OG-N 2.82Å; S397-C415 PolarHBondContact OG-SG 3.46Å | ||
| 398 | A | 87.7 | Confident | 80.7 | Confident | 28 Ų | 28 | 77.7 Ų | 77.7 | 23% | 0.231 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 140.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y387 D412 | Y387-A398 CarbonylContact O-C 3.55Å; Y387-A398 VanDerWaalsContact O-CA 3.31Å; Y387-A398 WeakPolarHBondContact O-CA 3.46Å; A398-D412 PolarHBondContact N-O 3.04Å; A398-D412 PolarHBondContact O-N 3.29Å |
| 399 | V | 88.7 | Confident | 80.9 | Confident | 27 Ų | 27 | 75 Ų | 75 | 16% | 0.164 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 117.5 | 169.6 | -174.7 | 0 | 0 | 0 | 0 | 107.5 | Y387 V389 I401 L409 I410 I411 | Y387-V399 PolarHBondContact N-O 3.41Å; Y387-V399 PolarHBondContact O-N 2.96Å; V389-V399 HydrophobicContact CG2-CG2 3.85Å; V399-I401 HydrophobicContact CG1-CD1 4.08Å; V399-I401 HydrophobicContact CG1-CG1 3.74Å; V399-L409 HydrophobicContact CG1-CD1 4.43Å; V399-L409 HydrophobicContact CG1-CG 4.38Å; V399-I410 CarbonylContact C-O 3.4Å; V399-I410 WeakPolarHBondContact CA-O 3.23Å; V399-I411 HydrophobicContact CG1-CG1 4.09Å; V399-I411 HydrophobicContact CG2-CG1 4.28Å; V399-I411 HydrophobicContact CG2-CG2 4.33Å |
| 400 | S | 90.7 | Very high | 81.3 | Confident | 20 Ų | 20 | 76.3 Ų | 76.3 | 14% | 0.14 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.3 | 175.7 | 176 | 0 | 0 | 0 | 0 | 108.7 | C403 I410 | S400-C403 WeakPolarHBondContact OG-CB 3.23Å; S400-I410 PolarHBondContact N-O 2.71Å; S400-I410 PolarHBondContact O-N 2.85Å |
| 401 | I | 91.9 | Very high | 81.6 | Confident | 22 Ų | 22 | 74.4 Ų | 74.4 | 11% | 0.113 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 112.3 | -176.6 | -50.2 | -175.4 | 0 | 0 | 0 | 108.7 | C381 P382 H383 K384 G385 Y387 V399 C403 L409 | C381-I401 HydrophobicContact CB-CG2 3.4Å; C381-I401 VanDerWaalsContact CB-CG2 3.4Å; P382-I401 VanDerWaalsContact O-CG2 3.31Å; P382-I401 WeakPolarHBondContact O-CG2 3.37Å; H383-I401 WeakPolarHBondContact O-CB 3.34Å; K384-I401 CarbonylContact C-O 3.54Å; K384-I401 VanDerWaalsContact CA-O 3.25Å; K384-I401 WeakPolarHBondContact CA-O 3.25Å; G385-I401 PolarHBondContact N-O 3.46Å; G385-I401 PolarHBondContact O-N 3.11Å; Y387-I401 HydrophobicContact CD2-CD1 3.86Å; Y387-I401 HydrophobicContact CD2-CG1 4.03Å; Y387-I401 HydrophobicContact CE2-CB 4.34Å; Y387-I401 HydrophobicContact CE2-CD1 3.69Å; Y387-I401 HydrophobicContact CE2-CG1 4.02Å; V399-I401 HydrophobicContact CG1-CD1 4.08Å; V399-I401 HydrophobicContact CG1-CG1 3.74Å; I401-C403 PolarHBondContact O-N 2.59Å; I401-C403 PolarHBondContact O-SG 3.05Å; I401-L409 HydrophobicContact CD1-CD1 3.99Å; I401-L409 HydrophobicContact CG1-CD1 3.9Å; I401-L409 HydrophobicContact CG1-CG 4.29Å; I401-L409 HydrophobicContact CG2-CD1 4.38Å |
| 402 | G | 87.9 | Confident | 82.1 | Confident | 9 Ų | 9 | 76.5 Ų | 76.5 | 9% | 0.093 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 65.9 | 16.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E405 R408 | G402-E405 CarbonylContact C-O 3.59Å; G402-E405 VanDerWaalsContact CA-O 3.31Å; G402-E405 WeakPolarHBondContact CA-O 3.24Å; G402-R408 WeakPolarHBondContact CA-O 3.45Å; G402-R408 PolarHBondContact N-O 3.38Å |
| 403 | C | 85.1 | Confident | 82.7 | Confident | 71 Ų | 71 | 82 Ų | 82 | 48% | 0.48 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -84.9 | -48.7 | -175.1 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | G385 S400 I401 | G385-C403 PolarHBondContact O-SG 3.22Å; G385-C403 VanDerWaalsContact O-SG 3.41Å; S400-C403 WeakPolarHBondContact OG-CB 3.23Å; I401-C403 PolarHBondContact O-N 2.59Å; I401-C403 PolarHBondContact O-SG 3.05Å |
| 404 | S | 83.6 | Confident | 83.5 | Confident | 81 Ų | 81 | 81.7 Ų | 81.7 | 57% | 0.566 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -81.1 | -47.9 | 178.6 | 50.3 | 0 | 0 | 0 | 0 | 111.5 | I410 | S404-I410 WeakPolarHBondContact OG-CD1 3.16Š|
| 405 | E | 87.3 | Confident | 84 | Confident | 92 Ų | 92 | 74.6 Ų | 74.6 | 43% | 0.43 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -128.9 | 132.1 | 170.6 | -72.2 | 171.4 | -150.2 | 0 | 0 | 107.9 | G402 Q407 R408 | G402-E405 CarbonylContact C-O 3.59Å; G402-E405 VanDerWaalsContact CA-O 3.31Å; G402-E405 WeakPolarHBondContact CA-O 3.24Å; E405-Q407 PolarHBondContact O-N 3.5Å; E405-R408 HydrophobicContact CB-CB 4.1Å; E405-R408 HydrophobicContact CB-CG 4.12Å; E405-R408 VanDerWaalsContact CD-NH1 3.3Å; E405-R408 PolarHBondContact O-N 2.69Å; E405-R408 IonicContact OE1-CZ 3.35Å; E405-R408 IonicContact OE1-NH1 2.65Å; E405-R408 PolarHBondContact OE1-NH1 3.3Å; E405-R408 WeakPolarHBondContact OE2-CD 3.46Å; E405-R408 WeakPolarHBondContact OE2-CG 3.49Å; E405-R408 IonicContact OE2-CZ 3.51Å; E405-R408 IonicContact OE2-NE 2.81Å; E405-R408 PolarHBondContact OE2-NE 2.8Å; E405-R408 IonicContact OE2-NH1 3.85Å; E405-R408 PolarHBondContact OE2-NH1 2.82Å |
| 406 | E | 89.2 | Confident | 84.2 | Confident | 107 Ų | 107 | 75.4 Ų | 75.4 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.3 | -172.9 | -62.9 | -148.2 | 148.7 | 0 | 0 | 114.3 | S380 C381 K384 | S380-E406 CarbonylContact C-O 3.6Å; S380-E406 VanDerWaalsContact CA-O 3.24Å; S380-E406 WeakPolarHBondContact CA-O 3.31Å; S380-E406 PolarHBondContact OG-OE2 2.87Å; C381-E406 PolarHBondContact N-O 2.78Å; K384-E406 IonicContact NZ-OE1 2.75Å; K384-E406 PolarHBondContact NZ-OE1 2.99Å; K384-E406 IonicContact NZ-OE2 3.23Å; K384-E406 PolarHBondContact NZ-OE2 2.95Å |
| 407 | Q | 89.2 | Confident | 83.6 | Confident | 99 Ų | 99 | 71.5 Ų | 71.5 | 46% | 0.463 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 2.7 | -173.1 | -57.8 | 171.9 | -19 | 0 | 0 | 112.7 | P378 E405 | P378-Q407 HydrophobicContact CB-CB 4.13Å; P378-Q407 HydrophobicContact CB-CG 4.17Å; P378-Q407 VanDerWaalsContact CB-OE1 3.3Å; P378-Q407 VanDerWaalsContact CG-OE1 3.23Å; P378-Q407 PolarHBondContact O-NE2 3.07Å; E405-Q407 PolarHBondContact O-N 3.5Å |
| 408 | R | 87.9 | Confident | 82.3 | Confident | 137 Ų | 137 | 80.2 Ų | 80.2 | 52% | 0.517 | 43% | 0.433 | S | S | . | . | trans | -109.4 | 139.3 | -179.6 | -78.9 | -169.4 | 165.5 | 158 | -11.6 | 111.9 | C381 G402 E405 | C381-R408 VanDerWaalsContact SG-C 3.52Å; G402-R408 WeakPolarHBondContact CA-O 3.45Å; G402-R408 PolarHBondContact N-O 3.38Å; E405-R408 HydrophobicContact CB-CB 4.1Å; E405-R408 HydrophobicContact CB-CG 4.12Å; E405-R408 VanDerWaalsContact CD-NH1 3.3Å; E405-R408 PolarHBondContact O-N 2.69Å; E405-R408 IonicContact OE1-CZ 3.35Å; E405-R408 IonicContact OE1-NH1 2.65Å; E405-R408 PolarHBondContact OE1-NH1 3.3Å; E405-R408 WeakPolarHBondContact OE2-CD 3.46Å; E405-R408 WeakPolarHBondContact OE2-CG 3.49Å; E405-R408 IonicContact OE2-CZ 3.51Å; E405-R408 IonicContact OE2-NE 2.81Å; E405-R408 PolarHBondContact OE2-NE 2.8Å; E405-R408 IonicContact OE2-NH1 3.85Å; E405-R408 PolarHBondContact OE2-NH1 2.82Å | ||
| 409 | L | 90.2 | Very high | 80.4 | Confident | 96 Ų | 96 | 84.2 Ų | 84.2 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.2 | 163.7 | 173.8 | 146.6 | 0 | 0 | 0 | 107.3 | V399 I401 I411 | V399-L409 HydrophobicContact CG1-CD1 4.43Å; V399-L409 HydrophobicContact CG1-CG 4.38Å; I401-L409 HydrophobicContact CD1-CD1 3.99Å; I401-L409 HydrophobicContact CG1-CD1 3.9Å; I401-L409 HydrophobicContact CG1-CG 4.29Å; I401-L409 HydrophobicContact CG2-CD1 4.38Å; L409-I411 HydrophobicContact CD2-CD1 3.67Å; L409-I411 HydrophobicContact CD2-CG1 3.55Å |
| 410 | I | 88.8 | Confident | 78.4 | Confident | 76 Ų | 76 | 86.8 Ų | 86.8 | 39% | 0.39 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 121.3 | 179.8 | -56.5 | 174.6 | 0 | 0 | 0 | 106.8 | V399 S400 S404 | V399-I410 CarbonylContact C-O 3.4Å; V399-I410 WeakPolarHBondContact CA-O 3.23Å; S400-I410 PolarHBondContact N-O 2.71Å; S400-I410 PolarHBondContact O-N 2.85Å; S404-I410 WeakPolarHBondContact OG-CD1 3.16Å |
| 411 | I | 87.3 | Confident | 76.4 | Confident | 100 Ų | 100 | 88.3 Ų | 88.3 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 111.7 | 173.6 | -60.5 | 166.2 | 0 | 0 | 0 | 106.4 | V399 L409 M413 | V399-I411 HydrophobicContact CG1-CG1 4.09Å; V399-I411 HydrophobicContact CG2-CG1 4.28Å; V399-I411 HydrophobicContact CG2-CG2 4.33Å; L409-I411 HydrophobicContact CD2-CD1 3.67Å; L409-I411 HydrophobicContact CD2-CG1 3.55Å; I411-M413 HydrophobicContact CG2-CB 4.09Å; I411-M413 HydrophobicContact CG2-SD 4.29Å |
| 412 | D | 84.7 | Confident | 74.1 | Confident | 72 Ų | 72 | 96.9 Ų | 96.9 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 95.7 | 168 | -170.7 | 8.4 | 0 | 0 | 0 | 107.6 | S397 A398 K414 | S397-D412 CarbonylContact C-O 3.36Å; S397-D412 VanDerWaalsContact CA-O 3.23Å; S397-D412 WeakPolarHBondContact CA-O 3.31Å; A398-D412 PolarHBondContact N-O 3.04Å; A398-D412 PolarHBondContact O-N 3.29Å; D412-K414 WeakPolarHBondContact OD1-CE 3.46Å; D412-K414 VanDerWaalsContact OD2-CE 3.24Å; D412-K414 WeakPolarHBondContact OD2-CE 3.37Å; D412-K414 IonicContact OD2-NZ 2.78Å; D412-K414 PolarHBondContact OD2-NZ 3.3Å |
| 413 | M | 80.7 | Confident | 71.7 | Confident | 142 Ų | 142 | 107.1 Ų | 107.1 | 70% | 0.7 | 57% | 0.566 | S | S | * | * | trans | -101.9 | 110.5 | -176 | -145.4 | 157.2 | 71.2 | 0 | 0 | 109.2 | I411 | I411-M413 HydrophobicContact CG2-CB 4.09Å; I411-M413 HydrophobicContact CG2-SD 4.29Å | ||
| 414 | K | 78.3 | Confident | 71 | Confident | 93 Ų | 93 | 109 Ų | 109 | 40% | 0.404 | 57% | 0.57 | S | S | . | * | trans | -114.1 | 13.5 | -179.2 | -64.1 | -173.2 | -179.3 | 159.4 | 0 | 112.7 | Q395 S397 D412 D416 | Q395-K414 HydrophobicContact CB-CB 3.83Å; Q395-K414 PolarHBondContact OE1-O 1.99Å; Q395-K414 VanDerWaalsContact OE1-O 3.04Å; S397-K414 WeakPolarHBondContact OG-CA 3.31Å; S397-K414 PolarHBondContact OG-N 2.81Å; D412-K414 WeakPolarHBondContact OD1-CE 3.46Å; D412-K414 VanDerWaalsContact OD2-CE 3.24Å; D412-K414 WeakPolarHBondContact OD2-CE 3.37Å; D412-K414 IonicContact OD2-NZ 2.78Å; D412-K414 PolarHBondContact OD2-NZ 3.3Å; K414-D416 PolarHBondContact O-N 3.45Å | ||
| 415 | C | 70 | Confident | 70.3 | Confident | 47 Ų | 47 | 110.4 Ų | 110.4 | 32% | 0.318 | 57% | 0.57 | S | S | . | * | trans | -78.8 | 106.3 | 178.5 | -45.7 | 0 | 0 | 0 | 0 | 109.7 | C392 S397 | C392-C415 HydrophobicContact CB-CB 3.85Å; C392-C415 WeakPolarHBondContact CB-SG 2.97Å; C392-C415 WeakPolarHBondContact SG-CB 3Å; C392-C415 CovalentContact SG-SG 1.99Å; C392-C415 PolarHBondContact SG-SG 3.44Å; S397-C415 PolarHBondContact OG-N 2.82Å; S397-C415 PolarHBondContact OG-SG 3.46Å | ||
| 416 | D | 63.5 | Low | 69.4 | Low | 108 Ų | 108 | 111.4 Ų | 111.4 | 58% | 0.578 | 58% | 0.578 | S | S | * | * | trans | -78.1 | 139.9 | 166.8 | -73 | -28.9 | 0 | 0 | 0 | 109.9 | K414 E418 H419 | K414-D416 PolarHBondContact O-N 3.45Å; D416-E418 PolarHBondContact O-N 2.92Å; D416-H419 PolarHBondContact O-N 2.99Å | ||
| 417 | G | 58.5 | Low | 68.2 | Low | 73 Ų | 73 | 111.7 Ų | 111.7 | 75% | 0.753 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -12.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 418 | E | 56.1 | Low | 66.9 | Low | 185 Ų | 185 | 112.5 Ų | 112.5 | 86% | 0.864 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -15.8 | 176.2 | -69.2 | -171 | 155.3 | 0 | 0 | 113.7 | D416 | D416-E418 PolarHBondContact O-N 2.92Š|
| 419 | H | 48.1 | Very low | 65.5 | Low | 112 Ų | 112 | 110.9 Ų | 110.9 | 52% | 0.519 | 60% | 0.595 | S | S | . | * | trans | -113.5 | 16.5 | -175.8 | -73.8 | -71.3 | 0 | 0 | 0 | 114.9 | D416 S421 | D416-H419 PolarHBondContact O-N 2.99Å; H419-S421 PolarHBondContact O-N 3.17Å | ||
| 420 | S | 46.9 | Very low | 63.8 | Low | 81 Ų | 81 | 111.9 Ų | 111.9 | 57% | 0.566 | 60% | 0.602 | S | S | * | * | B | Isolated β-bridge | trans | -70.9 | 111.5 | 168.9 | 69 | 0 | 0 | 0 | 0 | 109.6 | K422 | S420-K422 PolarHBondContact O-N 3.07Å |
| 421 | S | 48.2 | Very low | 61.8 | Low | 51 Ų | 51 | 114.7 Ų | 114.7 | 36% | 0.357 | 62% | 0.618 | S | S | . | * | trans | -62 | 111.9 | 177.6 | 70.1 | 0 | 0 | 0 | 0 | 108.9 | G391 H419 N423 | G391-S421 PolarHBondContact O-N 3.02Å; H419-S421 PolarHBondContact O-N 3.17Å; S421-N423 PolarHBondContact O-N 3.03Å; S421-N423 VanDerWaalsContact O-N 3.07Å | ||
| 422 | K | 44.6 | Very low | 59.7 | Low | 202 Ų | 202 | 115.9 Ų | 115.9 | 88% | 0.878 | 63% | 0.627 | S | S | * | * | trans | -67.8 | 101.6 | 164.9 | -75.2 | -177.1 | 179.6 | 176.5 | 0 | 107.8 | S420 | S420-K422 PolarHBondContact O-N 3.07Š| ||
| 423 | N | 37 | Very low | 57.4 | Low | 225 Ų | 225 | 119.9 Ų | 119.9 | 100% | 1.203 | 65% | 0.649 | S | S | * | * | trans | -120.3 | 0 | 161 | -90.9 | -19.4 | 0 | 0 | 0 | 109.9 | S421 | S421-N423 PolarHBondContact O-N 3.03Å; S421-N423 VanDerWaalsContact O-N 3.07Å |
Retrieved 423 of 423 residues in 125.7 ms
(Link to these results)