| 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 | 41.2 | Very low | 43.9 | Very low | 240 Ų | 240 | 131 Ų | 131 | 100% | 1.182 | 71% | 0.714 | S | S | * | * | 0 | 124.1 | 0 | -79.4 | -177.5 | 165.3 | 0 | 0 | 106.9 | S3 | M1-S3 PolarHBondContact O-N 3.38Å; M1-S3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | L | 36.8 | Very low | 44.6 | Very low | 168 Ų | 168 | 126.8 Ų | 126.8 | 88% | 0.88 | 68% | 0.684 | S | S | * | * | trans | -75.8 | 100.3 | -176.1 | -158.2 | 73.7 | 0 | 0 | 0 | 107.5 | I4 | L2-I4 PolarHBondContact O-N 2.99Š| ||
| 3 | S | 41.5 | Very low | 45.1 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 69% | 0.689 | S | S | * | * | trans | -63.3 | 105.2 | 171 | -78 | 0 | 0 | 0 | 0 | 108.4 | M1 L5 | M1-S3 PolarHBondContact O-N 3.38Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-L5 PolarHBondContact O-N 3.19Å | ||
| 4 | I | 40.7 | Very low | 45.4 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | trans | -73.1 | 89.7 | 164.8 | -61.8 | 172.6 | 0 | 0 | 0 | 105.1 | L2 L6 | L2-I4 PolarHBondContact O-N 2.99Å; I4-L6 HydrophobicContact CG2-CB 4.39Å; I4-L6 PolarHBondContact O-N 2.64Å | ||
| 5 | L | 43.3 | Very low | 46.6 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 70% | 0.702 | 68% | 0.675 | S | S | * | * | trans | -69.5 | 86.8 | 166.1 | -148.5 | 87.8 | 0 | 0 | 0 | 105.9 | S3 T7 | S3-L5 PolarHBondContact O-N 3.19Å; L5-T7 HydrophobicContact CD2-CG2 4.4Å; L5-T7 PolarHBondContact O-N 2.78Å | ||
| 6 | L | 40.7 | Very low | 48.7 | Very low | 131 Ų | 131 | 124 Ų | 124 | 69% | 0.686 | 69% | 0.687 | S | S | * | * | trans | -75.9 | 74.6 | 173.4 | -165.8 | 74 | 0 | 0 | 0 | 107.6 | I4 L8 | I4-L6 HydrophobicContact CG2-CB 4.39Å; I4-L6 PolarHBondContact O-N 2.64Å; L6-L8 HydrophobicContact CD2-CD1 3.51Å; L6-L8 HydrophobicContact CD2-CG 4.44Å; L6-L8 HydrophobicContact CG-CD1 3.87Å; L6-L8 HydrophobicContact CG-CG 4.38Å; L6-L8 PolarHBondContact O-N 3.02Å | ||
| 7 | T | 42.6 | Very low | 51 | Low | 89 Ų | 89 | 118.2 Ų | 118.2 | 55% | 0.546 | 65% | 0.654 | S | S | . | * | trans | -68.2 | 86.5 | 161.5 | 23.9 | 0 | 0 | 0 | 0 | 107.2 | L5 L9 | L5-T7 HydrophobicContact CD2-CG2 4.4Å; L5-T7 PolarHBondContact O-N 2.78Å; T7-L9 PolarHBondContact O-N 2.88Å | ||
| 8 | L | 46.6 | Very low | 53.3 | Low | 131 Ų | 131 | 114.3 Ų | 114.3 | 69% | 0.686 | 63% | 0.63 | S | S | * | * | trans | -62.6 | 86.1 | 160.4 | -94.6 | 128.9 | 0 | 0 | 0 | 107 | L6 L10 | L6-L8 HydrophobicContact CD2-CD1 3.51Å; L6-L8 HydrophobicContact CD2-CG 4.44Å; L6-L8 HydrophobicContact CG-CD1 3.87Å; L6-L8 HydrophobicContact CG-CG 4.38Å; L6-L8 PolarHBondContact O-N 3.02Å; L8-L10 PolarHBondContact O-N 3.07Å | ||
| 9 | L | 46.7 | Very low | 55.6 | Low | 156 Ų | 156 | 109.1 Ų | 109.1 | 82% | 0.817 | 60% | 0.602 | S | S | * | * | trans | -58.4 | 102.8 | 149.4 | -84.1 | 110.2 | 0 | 0 | 0 | 105 | T7 S11 | T7-L9 PolarHBondContact O-N 2.88Å; L9-S11 PolarHBondContact O-N 3.1Å | ||
| 10 | L | 54 | Low | 57.7 | Low | 66 Ų | 66 | 104.9 Ų | 104.9 | 35% | 0.346 | 58% | 0.576 | S | S | . | * | trans | -51.7 | 95.1 | 167.6 | -80.3 | 151.3 | 0 | 0 | 0 | 106.9 | L8 K12 F336 | L8-L10 PolarHBondContact O-N 3.07Å; L10-K12 PolarHBondContact O-N 2.99Å; L10-F336 HydrophobicContact CD2-CE2 4.46Å; L10-F336 HydrophobicContact CD2-CZ 3.91Å | ||
| 11 | S | 48.3 | Very low | 59.5 | Low | 75 Ų | 75 | 100.4 Ų | 100.4 | 52% | 0.524 | 55% | 0.551 | S | S | . | * | trans | -61.4 | 128.8 | 174.2 | 87.4 | 0 | 0 | 0 | 0 | 105.7 | L9 Y13 A14 | L9-S11 PolarHBondContact O-N 3.1Å; S11-Y13 PolarHBondContact O-N 3.01Å; S11-A14 PolarHBondContact O-N 2.97Å | ||
| 12 | K | 53 | Low | 62.2 | Low | 81 Ų | 81 | 90.8 Ų | 90.8 | 35% | 0.352 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -10.3 | -175.3 | -66.7 | -176.8 | 173.7 | -176 | 0 | 115.8 | L10 E80 | L10-K12 PolarHBondContact O-N 2.99Å; K12-E80 IonicContact NZ-OE1 3.8Å; K12-E80 PolarHBondContact NZ-OE1 3.24Å; K12-E80 IonicContact NZ-OE2 2.65Å; K12-E80 PolarHBondContact NZ-OE2 2.86Å |
| 13 | Y | 51.1 | Low | 65 | Low | 190 Ų | 190 | 83.7 Ų | 83.7 | 75% | 0.745 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | 10.7 | -173.4 | -67.8 | -79.7 | 0 | 0 | 0 | 114.7 | S11 L15 | S11-Y13 PolarHBondContact O-N 3.01Å; Y13-L15 PolarHBondContact O-N 3.43Å |
| 14 | A | 49.6 | Very low | 67.5 | Low | 63 Ų | 63 | 80.7 Ų | 80.7 | 52% | 0.521 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S11 | S11-A14 PolarHBondContact O-N 2.97Š|
| 15 | L | 62.3 | Low | 70 | Confident | 125 Ų | 125 | 74 Ų | 74 | 65% | 0.654 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.9 | 28.5 | -173.8 | -76 | 172 | 0 | 0 | 0 | 114.4 | Y13 H17 | Y13-L15 PolarHBondContact O-N 3.43Å; L15-H17 WeakPolarHBondContact CB-CE1 3.07Å; L15-H17 PolarHBondContact O-N 2.86Å; L15-H17 PolarHBondContact O-ND1 2.61Å |
| 16 | G | 80.9 | Confident | 71.8 | Confident | 84 Ų | 84 | 71.1 Ų | 71.1 | 87% | 0.866 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 73.1 | 7.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 17 | H | 87.1 | Confident | 73.9 | Confident | 25 Ų | 25 | 70.5 Ų | 70.5 | 12% | 0.116 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -113.9 | 161 | 168.4 | 57 | -107.2 | 0 | 0 | 0 | 109.9 | L15 D332 S333 F336 | L15-H17 WeakPolarHBondContact CB-CE1 3.07Å; L15-H17 PolarHBondContact O-N 2.86Å; L15-H17 PolarHBondContact O-ND1 2.61Å; H17-D332 WeakPolarHBondContact CA-OD1 3.47Å; H17-D332 WeakPolarHBondContact CB-OD1 3.41Å; H17-S333 VanDerWaalsContact CB-CB 3.45Å; H17-F336 AromaticContact CD2-CD1 3.84Å; H17-F336 AromaticContact CD2-CG 3.94Å; H17-F336 AromaticContact CE1-CD1 3.96Å; H17-F336 AromaticContact CE1-CD2 3.24Å; H17-F336 WeakPolarHBondContact CE1-CD2 3.35Å; H17-F336 AromaticContact CE1-CE2 3.78Å; H17-F336 AromaticContact CE1-CG 3.34Å; H17-F336 WeakPolarHBondContact CE1-CG 3.37Å; H17-F336 AromaticContact ND1-CG 3.92Å; H17-F336 AromaticContact NE2-CD1 3.55Å; H17-F336 AromaticContact NE2-CD2 3.49Å; H17-F336 WeakPolarHBondContact NE2-CD2 3.36Å; H17-F336 AromaticContact NE2-CE1 3.75Å; H17-F336 AromaticContact NE2-CE2 3.67Å; H17-F336 AromaticContact NE2-CG 3.43Å; H17-F336 WeakPolarHBondContact NE2-CG 3.25Å; H17-F336 AromaticContact NE2-CZ 3.81Å |
| 18 | E | 93.8 | Very high | 75.7 | Confident | 48 Ų | 48 | 72.4 Ų | 72.4 | 22% | 0.224 | 40% | 0.402 | C | S | . | . | trans | -103.7 | 132.2 | 174.8 | -167 | 174.2 | -179 | 0 | 0 | 110.2 | W20 K87 T331 D332 | E18-W20 PolarHBondContact OE1-NE1 2.67Å; E18-W20 VanDerWaalsContact OE1-NE1 3.17Å; E18-W20 PolarHBondContact OE2-NE1 2.58Å; E18-K87 IonicContact OE2-NZ 3.62Å; E18-K87 PolarHBondContact OE2-NZ 3.02Å; E18-T331 VanDerWaalsContact O-CA 3.24Å; E18-T331 WeakPolarHBondContact O-CA 3.15Å; E18-T331 WeakPolarHBondContact O-CB 3.11Å; E18-T331 PolarHBondContact O-OG1 3.08Å; E18-D332 WeakPolarHBondContact CB-OD2 3.46Å; E18-D332 PolarHBondContact N-OD1 3.12Å; E18-D332 PolarHBondContact O-N 3.1Å; E18-D332 VanDerWaalsContact O-N 3.08Å | ||
| 19 | V | 96 | Very high | 77.8 | Confident | 16 Ų | 16 | 68 Ų | 68 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 111.6 | 169.3 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | L329 F336 | V19-L329 HydrophobicContact CG1-CD1 3.8Å; V19-F336 HydrophobicContact CG2-CD1 4.16Å; V19-F336 HydrophobicContact CG2-CE1 3.57Å; V19-F336 HydrophobicContact CG2-CZ 4.31Å |
| 20 | W | 97 | Very high | 80 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 10% | 0.095 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -32.6 | 178.8 | -60.5 | -61.7 | 0 | 0 | 0 | 112.1 | E18 I78 F82 K87 T88 M89 I330 T331 D332 | E18-W20 PolarHBondContact OE1-NE1 2.67Å; E18-W20 VanDerWaalsContact OE1-NE1 3.17Å; E18-W20 PolarHBondContact OE2-NE1 2.58Å; W20-I78 WeakPolarHBondContact O-CG2 3.2Å; W20-F82 HydrophobicContact CB-CD1 3.72Å; W20-F82 HydrophobicContact CB-CD2 4.45Å; W20-F82 HydrophobicContact CB-CE1 3.55Å; W20-F82 HydrophobicContact CB-CE2 4.32Å; W20-F82 HydrophobicContact CB-CG 4.19Å; W20-F82 HydrophobicContact CB-CZ 3.9Å; W20-F82 AromaticContact CD1-CD1 3.98Å; W20-F82 AromaticContact CD1-CD2 3.79Å; W20-F82 AromaticContact CD1-CG 3.61Å; W20-F82 HydrophobicContact CD2-CD1 4.42Å; W20-F82 AromaticContact CD2-CD2 3.55Å; W20-F82 HydrophobicContact CD2-CD2 3.55Å; W20-F82 HydrophobicContact CD2-CE1 4.31Å; W20-F82 AromaticContact CD2-CE2 3.42Å; W20-F82 HydrophobicContact CD2-CE2 3.42Å; W20-F82 VanDerWaalsContact CD2-CE2 3.42Å; W20-F82 HydrophobicContact CD2-CG 4.08Å; W20-F82 AromaticContact CD2-CZ 3.85Å; W20-F82 HydrophobicContact CD2-CZ 3.85Å; W20-F82 AromaticContact CE2-CD2 3.53Å; W20-F82 AromaticContact CE2-CE2 3.8Å; W20-F82 HydrophobicContact CE3-CD2 4.14Å; W20-F82 AromaticContact CE3-CE2 3.54Å; W20-F82 HydrophobicContact CE3-CE2 3.54Å; W20-F82 AromaticContact CE3-CZ 3.86Å; W20-F82 HydrophobicContact CE3-CZ 3.86Å; W20-F82 HydrophobicContact CG-CB 4.48Å; W20-F82 AromaticContact CG-CD1 3.76Å; W20-F82 HydrophobicContact CG-CD1 3.76Å; W20-F82 AromaticContact CG-CD2 3.7Å; W20-F82 HydrophobicContact CG-CD2 3.7Å; W20-F82 AromaticContact CG-CE1 3.86Å; W20-F82 HydrophobicContact CG-CE1 3.86Å; W20-F82 AromaticContact CG-CE2 3.8Å; W20-F82 HydrophobicContact CG-CE2 3.8Å; W20-F82 AromaticContact CG-CG 3.71Å; W20-F82 HydrophobicContact CG-CG 3.71Å; W20-F82 AromaticContact CG-CZ 3.9Å; W20-F82 HydrophobicContact CG-CZ 3.9Å; W20-F82 HydrophobicContact CH2-CE2 4.27Å; W20-F82 HydrophobicContact CZ2-CD2 4.06Å; W20-F82 HydrophobicContact CZ2-CE2 4.21Å; W20-F82 AromaticContact CZ3-CE2 3.96Å; W20-F82 HydrophobicContact CZ3-CE2 3.96Å; W20-F82 AromaticContact NE1-CD2 3.71Å; W20-F82 AromaticContact NE1-CG 3.91Å; W20-K87 HydrophobicContact CH2-CB 4.37Å; W20-K87 HydrophobicContact CH2-CD 4.49Å; W20-K87 HydrophobicContact CZ2-CB 4.45Å; W20-K87 HydrophobicContact CZ2-CD 3.84Å; W20-T88 WeakPolarHBondContact CH2-O 3.23Å; W20-M89 HydrophobicContact CH2-CB 4.44Å; W20-M89 HydrophobicContact CZ3-CB 4.13Å; W20-M89 HydrophobicContact CZ3-CG 3.85Å; W20-I330 HydrophobicContact CE3-CG2 3.69Å; W20-I330 HydrophobicContact CZ3-CG2 4.33Å; W20-I330 PolarHBondContact N-O 3.07Å; W20-T331 VanDerWaalsContact CZ3-O 3.27Å; W20-T331 WeakPolarHBondContact CZ3-O 3.36Å; W20-D332 HydrophobicContact CH2-CB 3.56Å; W20-D332 HydrophobicContact CZ2-CB 3.97Å; W20-D332 HydrophobicContact CZ3-CB 4.16Å |
| 21 | F | 97.4 | Very high | 81.9 | Confident | 11 Ų | 11 | 67.5 Ų | 67.5 | 5% | 0.048 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 141.5 | -179.9 | -175.4 | -91.8 | 0 | 0 | 0 | 111.6 | E23 W33 R76 I78 V312 I328 I330 | F21-E23 HydrophobicContact CE1-CB 3.82Å; F21-E23 HydrophobicContact CZ-CB 4.04Å; F21-W33 HydrophobicContact CZ-CH2 4.46Å; F21-W33 HydrophobicContact CZ-CZ2 4.06Å; F21-R76 HydrophobicContact CE2-CB 4.45Å; F21-R76 HydrophobicContact CE2-CG 3.83Å; F21-R76 HydrophobicContact CZ-CB 4.45Å; F21-R76 HydrophobicContact CZ-CG 4.12Å; F21-I78 HydrophobicContact CB-CD1 4.43Å; F21-I78 HydrophobicContact CD2-CG1 3.96Å; F21-V312 HydrophobicContact CD1-CG1 4.09Å; F21-V312 HydrophobicContact CD2-CG1 4.14Å; F21-V312 HydrophobicContact CE1-CG1 3.65Å; F21-V312 HydrophobicContact CE2-CG1 3.69Å; F21-V312 HydrophobicContact CG-CG1 4.31Å; F21-V312 HydrophobicContact CZ-CG1 3.42Å; F21-V312 VanDerWaalsContact CZ-CG1 3.42Å; F21-I328 HydrophobicContact CD1-CG2 3.89Å; F21-I328 HydrophobicContact CE1-CB 4.04Å; F21-I328 HydrophobicContact CE1-CG2 3.69Å; F21-I330 HydrophobicContact CB-CB 4.02Å; F21-I330 HydrophobicContact CB-CD1 3.8Å; F21-I330 HydrophobicContact CB-CG1 3.86Å; F21-I330 HydrophobicContact CD1-CD1 4.43Å; F21-I330 HydrophobicContact CD1-CG1 4.37Å; F21-I330 HydrophobicContact CG-CD1 4.33Å; F21-I330 PolarHBondContact N-O 2.94Å; F21-I330 PolarHBondContact O-N 3.35Å |
| 22 | S | 96.2 | Very high | 84.1 | Confident | 38 Ų | 38 | 69.1 Ų | 69.1 | 27% | 0.266 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 138.8 | 171.6 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | R76 I328 | S22-R76 PolarHBondContact O-NH1 2.8Å; S22-I328 CarbonylContact C-O 3.51Å; S22-I328 VanDerWaalsContact CA-O 3.22Å; S22-I328 WeakPolarHBondContact CA-O 3.25Å |
| 23 | E | 95.5 | Very high | 86.3 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 9% | 0.089 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 127.6 | 173 | -178 | 65.6 | -83.9 | 0 | 0 | 110.6 | F21 F25 W33 R76 N327 I328 | F21-E23 HydrophobicContact CE1-CB 3.82Å; F21-E23 HydrophobicContact CZ-CB 4.04Å; E23-F25 HydrophobicContact CG-CD1 4Å; E23-F25 HydrophobicContact CG-CD2 3.79Å; E23-F25 HydrophobicContact CG-CE1 3.67Å; E23-F25 HydrophobicContact CG-CE2 3.43Å; E23-F25 VanDerWaalsContact CG-CE2 3.43Å; E23-F25 HydrophobicContact CG-CG 4.05Å; E23-F25 HydrophobicContact CG-CZ 3.35Å; E23-F25 PolarHBondContact OE1-N 2.97Å; E23-W33 HydrophobicContact CB-CZ2 4.41Å; E23-W33 HydrophobicContact CG-CZ2 4.08Å; E23-W33 PolarHBondContact OE2-NE1 3.17Å; E23-R76 IonicContact OE1-NH1 3.74Å; E23-R76 IonicContact OE2-CZ 2.74Å; E23-R76 IonicContact OE2-NE 3.63Å; E23-R76 IonicContact OE2-NH1 3.55Å; E23-R76 PolarHBondContact OE2-NH1 3.13Å; E23-N327 CarbonylContact O-C 3.52Å; E23-N327 WeakPolarHBondContact O-CA 3.39Å; E23-N327 PolarHBondContact O-N 3.36Å; E23-I328 HydrophobicContact CB-CB 4.21Å; E23-I328 HydrophobicContact CB-CD1 4.45Å; E23-I328 PolarHBondContact N-O 3.41Å; E23-I328 PolarHBondContact O-N 3.15Å |
| 24 | T | 94.2 | Very high | 88.5 | Confident | 46 Ų | 46 | 59.2 Ų | 59.2 | 28% | 0.282 | 34% | 0.342 | S | S | . | . | trans | -134.8 | 11 | 175 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | P26 D326 L344 | T24-P26 VanDerWaalsContact C-CD 3.46Å; T24-P26 VanDerWaalsContact O-N 3.16Å; T24-D326 WeakPolarHBondContact CA-OD1 3.37Å; T24-L344 HydrophobicContact CG2-CD1 3.93Å | ||
| 25 | F | 93.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.009 | 33% | 0.33 | C | S | . | . | trans | 48.3 | 42.7 | 176.7 | -57.5 | -79.5 | 0 | 0 | 0 | 116.4 | E23 N27 E28 W33 V48 L61 L63 F325 D326 | E23-F25 HydrophobicContact CG-CD1 4Å; E23-F25 HydrophobicContact CG-CD2 3.79Å; E23-F25 HydrophobicContact CG-CE1 3.67Å; E23-F25 HydrophobicContact CG-CE2 3.43Å; E23-F25 VanDerWaalsContact CG-CE2 3.43Å; E23-F25 HydrophobicContact CG-CG 4.05Å; E23-F25 HydrophobicContact CG-CZ 3.35Å; E23-F25 PolarHBondContact OE1-N 2.97Å; F25-N27 PolarHBondContact O-N 2.97Å; F25-E28 PolarHBondContact O-N 3.32Å; F25-W33 AromaticContact CE1-CD1 4Å; F25-W33 AromaticContact CE1-NE1 3.48Å; F25-W33 HydrophobicContact CZ-CZ2 4.16Å; F25-W33 AromaticContact CZ-NE1 3.86Å; F25-V48 HydrophobicContact CB-CG1 3.78Å; F25-V48 HydrophobicContact CD1-CG1 4.14Å; F25-V48 HydrophobicContact CD1-CG2 3.68Å; F25-V48 HydrophobicContact CE1-CG2 4.11Å; F25-V48 HydrophobicContact CG-CG1 4.14Å; F25-V48 HydrophobicContact CG-CG2 4.45Å; F25-L61 HydrophobicContact CB-CB 4.35Å; F25-L63 HydrophobicContact CE1-CB 4.18Å; F25-L63 HydrophobicContact CE1-CD1 4.47Å; F25-L63 HydrophobicContact CE2-CB 4.05Å; F25-L63 HydrophobicContact CZ-CB 3.6Å; F25-L63 HydrophobicContact CZ-CG 4.47Å; F25-F325 WeakPolarHBondContact CE2-O 3.47Å; F25-D326 WeakPolarHBondContact CD2-OD1 3.33Å | ||
| 26 | P | 82.5 | Confident | 92.6 | Very high | 73 Ų | 73 | 53 Ų | 53 | 47% | 0.474 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -12.5 | -167 | 28 | -37.6 | 0 | 0 | 0 | 115.5 | T24 | T24-P26 VanDerWaalsContact C-CD 3.46Å; T24-P26 VanDerWaalsContact O-N 3.16Å |
| 27 | N | 83.1 | Confident | 93.4 | Very high | 118 Ų | 118 | 53.8 Ų | 53.8 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | 21.5 | -173.1 | -59 | -43.7 | 0 | 0 | 0 | 113.1 | F25 S29 | F25-N27 PolarHBondContact O-N 2.97Å; N27-S29 PolarHBondContact O-N 2.85Å |
| 28 | E | 82.1 | Confident | 93.9 | Very high | 128 Ų | 128 | 58 Ų | 58 | 60% | 0.598 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 57.2 | 10.4 | -175.7 | -62.6 | 179.4 | -164.2 | 0 | 0 | 114.8 | F25 L61 | F25-E28 PolarHBondContact O-N 3.32Å; E28-L61 HydrophobicContact CB-CD1 4.43Å; E28-L61 HydrophobicContact CG-CD1 3.31Å; E28-L61 HydrophobicContact CG-CD2 3.83Å; E28-L61 HydrophobicContact CG-CG 4.21Å |
| 29 | S | 89.6 | Confident | 94.1 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 28% | 0.28 | 30% | 0.302 | S | S | . | . | trans | -89.3 | 123.2 | -171.8 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | N27 E31 | N27-S29 PolarHBondContact O-N 2.85Å; S29-E31 WeakPolarHBondContact OG-CB 3.39Å; S29-E31 WeakPolarHBondContact OG-CG 3.47Å; S29-E31 PolarHBondContact OG-N 3.41Å | ||
| 30 | I | 94.3 | Very high | 94.1 | Very high | 43 Ų | 43 | 59.7 Ų | 59.7 | 22% | 0.221 | 32% | 0.322 | C | S | . | . | trans | -93.9 | -1.2 | 170.4 | -160.6 | 163.7 | 0 | 0 | 0 | 112.4 | N32 W33 F46 V48 L63 I74 | I30-N32 PolarHBondContact O-N 3.38Å; I30-W33 HydrophobicContact CG1-CB 4.05Å; I30-W33 WeakPolarHBondContact O-CB 3.4Å; I30-W33 PolarHBondContact O-N 3.03Å; I30-F46 HydrophobicContact CD1-CB 3.9Å; I30-F46 WeakPolarHBondContact CD1-O 3.14Å; I30-V48 HydrophobicContact CB-CG2 3.92Å; I30-V48 HydrophobicContact CG1-CG2 4.36Å; I30-L63 HydrophobicContact CD1-CD1 3.64Å; I30-L63 HydrophobicContact CG1-CD1 4.13Å; I30-I74 HydrophobicContact CD1-CD1 4.03Å; I30-I74 HydrophobicContact CG1-CD1 4.23Å | ||
| 31 | E | 93.5 | Very high | 94.1 | Very high | 168 Ų | 168 | 65.6 Ų | 65.6 | 79% | 0.785 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.7 | -165.6 | -67 | 179.1 | 159.1 | 0 | 0 | 114.4 | S29 W33 | S29-E31 WeakPolarHBondContact OG-CB 3.39Å; S29-E31 WeakPolarHBondContact OG-CG 3.47Å; S29-E31 PolarHBondContact OG-N 3.41Å; E31-W33 VanDerWaalsContact C-N 3.27Å; E31-W33 PolarHBondContact O-N 3.04Å |
| 32 | N | 94.7 | Very high | 94.1 | Very high | 109 Ų | 109 | 70.6 Ų | 70.6 | 58% | 0.583 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -6.5 | 178.4 | -66 | -51.7 | 0 | 0 | 0 | 113.6 | I30 R76 | I30-N32 PolarHBondContact O-N 3.38Å; N32-R76 WeakPolarHBondContact O-CG 3.4Å |
| 33 | W | 97.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 70.2 Ų | 70.2 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.3 | 177.6 | -69 | 82.7 | 0 | 0 | 0 | 109.9 | F21 E23 F25 I30 E31 L63 I74 R76 V312 F314 I328 | F21-W33 HydrophobicContact CZ-CH2 4.46Å; F21-W33 HydrophobicContact CZ-CZ2 4.06Å; E23-W33 HydrophobicContact CB-CZ2 4.41Å; E23-W33 HydrophobicContact CG-CZ2 4.08Å; E23-W33 PolarHBondContact OE2-NE1 3.17Å; F25-W33 AromaticContact CE1-CD1 4Å; F25-W33 AromaticContact CE1-NE1 3.48Å; F25-W33 HydrophobicContact CZ-CZ2 4.16Å; F25-W33 AromaticContact CZ-NE1 3.86Å; I30-W33 HydrophobicContact CG1-CB 4.05Å; I30-W33 WeakPolarHBondContact O-CB 3.4Å; I30-W33 PolarHBondContact O-N 3.03Å; E31-W33 VanDerWaalsContact C-N 3.27Å; E31-W33 PolarHBondContact O-N 3.04Å; W33-L63 HydrophobicContact CE3-CD2 4.34Å; W33-L63 HydrophobicContact CZ3-CD2 4.47Å; W33-I74 HydrophobicContact CB-CD1 3.49Å; W33-I74 VanDerWaalsContact CB-CD1 3.49Å; W33-I74 HydrophobicContact CB-CG1 3.83Å; W33-I74 HydrophobicContact CD2-CD1 4.36Å; W33-I74 HydrophobicContact CE3-CD1 4.16Å; W33-I74 HydrophobicContact CE3-CG1 4.01Å; W33-I74 HydrophobicContact CE3-CG2 4.26Å; W33-I74 HydrophobicContact CG-CD1 4.16Å; W33-R76 HydrophobicContact CD2-CB 3.47Å; W33-R76 VanDerWaalsContact CD2-CB 3.47Å; W33-R76 HydrophobicContact CD2-CG 4.36Å; W33-R76 HydrophobicContact CE3-CB 3.52Å; W33-R76 HydrophobicContact CG-CB 4.02Å; W33-R76 HydrophobicContact CH2-CB 3.94Å; W33-R76 HydrophobicContact CZ2-CB 3.89Å; W33-R76 HydrophobicContact CZ3-CB 3.76Å; W33-R76 VanDerWaalsContact NE1-CD 3.34Å; W33-V312 HydrophobicContact CH2-CG1 3.93Å; W33-V312 HydrophobicContact CZ3-CG1 4.42Å; W33-F314 HydrophobicContact CH2-CD2 4.48Å; W33-F314 AromaticContact CH2-CE2 3.94Å; W33-F314 HydrophobicContact CH2-CE2 3.94Å; W33-F314 HydrophobicContact CZ3-CD2 4.13Å; W33-F314 HydrophobicContact CZ3-CE2 4.05Å; W33-I328 HydrophobicContact CH2-CD1 3.72Å; W33-I328 HydrophobicContact CZ2-CD1 3.82Å |
| 34 | V | 98.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 69.4 Ų | 69.4 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 109.8 | 178.2 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | I74 A75 P117 K118 | V34-I74 WeakPolarHBondContact O-CA 3.43Å; V34-I74 WeakPolarHBondContact O-CG1 3.32Å; V34-A75 PolarHBondContact N-O 2.95Å; V34-A75 PolarHBondContact O-N 3.06Å; V34-P117 HydrophobicContact CB-CB 3.93Å; V34-P117 HydrophobicContact CB-CG 4.1Å; V34-P117 HydrophobicContact CG1-CB 3.98Å; V34-P117 HydrophobicContact CG1-CG 3.98Å; V34-P117 HydrophobicContact CG2-CG 4.35Å; V34-K118 HydrophobicContact CG1-CG 3.7Å |
| 35 | Q | 98.4 | Very high | 94.5 | Very high | 55 Ų | 55 | 71.2 Ų | 71.2 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 130.9 | 171.8 | -62.5 | -167.4 | 52.4 | 0 | 0 | 109.9 | F46 I74 | Q35-F46 PolarHBondContact NE2-O 2.72Å; Q35-I74 HydrophobicContact CB-CG1 4.46Å; Q35-I74 HydrophobicContact CG-CB 4.45Å; Q35-I74 HydrophobicContact CG-CD1 3.66Å; Q35-I74 HydrophobicContact CG-CG1 3.81Å |
| 36 | S | 98.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.014 | 37% | 0.368 | C | S | . | . | trans | -67.2 | 147.4 | 173.7 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | Y38 Q43 G73 K118 F120 | S36-Y38 WeakPolarHBondContact OG-CB 3.24Å; S36-Y38 PolarHBondContact OG-N 2.9Å; S36-Q43 VanDerWaalsContact O-CD 3.26Å; S36-Q43 WeakPolarHBondContact O-CG 3.43Å; S36-G73 WeakPolarHBondContact CB-O 3.36Å; S36-G73 PolarHBondContact N-O 2.75Å; S36-K118 PolarHBondContact OG-O 3.08Å; S36-F120 WeakPolarHBondContact CB-O 3.48Å; S36-F120 PolarHBondContact OG-N 3.27Å; S36-F120 PolarHBondContact OG-O 3.46Å | ||
| 37 | T | 97.9 | Very high | 95.4 | Very high | 101 Ų | 101 | 71.6 Ų | 71.6 | 62% | 0.62 | 36% | 0.363 | S | S | * | . | trans | -116 | 13.3 | 172.1 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | N39 A40 K118 | T37-N39 PolarHBondContact O-N 3.06Å; T37-A40 PolarHBondContact O-N 3.19Å; T37-K118 PolarHBondContact N-O 3.22Å; T37-K118 PolarHBondContact OG1-O 2.88Å | ||
| 38 | Y | 98.1 | Very high | 96.1 | Very high | 115 Ų | 115 | 66.8 Ų | 66.8 | 45% | 0.451 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -42.3 | -171.7 | -176.2 | -98.1 | 0 | 0 | 0 | 113.2 | S36 A40 K119 H121 | S36-Y38 WeakPolarHBondContact OG-CB 3.24Å; S36-Y38 PolarHBondContact OG-N 2.9Å; Y38-A40 VanDerWaalsContact C-N 3.25Å; Y38-A40 PolarHBondContact O-N 2.81Å; Y38-K119 HydrophobicContact CD2-CB 4.34Å; Y38-H121 HydrophobicContact CD1-CB 3.35Å; Y38-H121 AromaticContact CD1-CG 3.54Å; Y38-H121 AromaticContact CD2-ND1 3.85Å; Y38-H121 HydrophobicContact CE1-CB 3.76Å; Y38-H121 AromaticContact CE1-CD2 3.49Å; Y38-H121 VanDerWaalsContact CE1-CD2 3.49Å; Y38-H121 WeakPolarHBondContact CE1-CD2 3.45Å; Y38-H121 AromaticContact CE1-CG 3.46Å; Y38-H121 VanDerWaalsContact CE1-CG 3.46Å; Y38-H121 AromaticContact CE1-ND1 3.96Å; Y38-H121 AromaticContact CE2-CE1 3.87Å; Y38-H121 AromaticContact CE2-ND1 3.78Å; Y38-H121 HydrophobicContact CG-CB 3.77Å; Y38-H121 AromaticContact CG-CG 3.91Å; Y38-H121 AromaticContact CG-ND1 3.98Å; Y38-H121 AromaticContact CZ-CD2 3.7Å; Y38-H121 AromaticContact CZ-CE1 3.8Å; Y38-H121 AromaticContact CZ-CG 3.77Å; Y38-H121 AromaticContact CZ-ND1 3.82Å; Y38-H121 AromaticContact CZ-NE2 3.74Å |
| 39 | N | 97.4 | Very high | 96.8 | Very high | 35 Ų | 35 | 64.1 Ų | 64.1 | 19% | 0.187 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 13.6 | -175.5 | -61.7 | -73 | 0 | 0 | 0 | 114.2 | T37 E41 K42 Q43 F71 | T37-N39 PolarHBondContact O-N 3.06Å; N39-E41 PolarHBondContact O-N 2.75Å; N39-K42 HydrophobicContact CB-CB 4.35Å; N39-K42 WeakPolarHBondContact O-CA 3.2Å; N39-K42 WeakPolarHBondContact O-CB 3.3Å; N39-K42 PolarHBondContact O-N 2.91Å; N39-Q43 HydrophobicContact CB-CB 4.16Å; N39-Q43 PolarHBondContact ND2-OE1 3.35Å; N39-Q43 PolarHBondContact O-N 3.09Å; N39-F71 HydrophobicContact CB-CB 3.98Å; N39-F71 HydrophobicContact CB-CD2 4.21Å; N39-F71 HydrophobicContact CB-CG 4.38Å; N39-F71 VanDerWaalsContact ND2-CB 3.33Å; N39-F71 WeakPolarHBondContact ND2-CB 2.8Å |
| 40 | A | 96.4 | Very high | 97 | Very high | 63 Ų | 63 | 62.7 Ų | 62.7 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | 46.7 | -122.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T37 Y38 K42 Q43 | T37-A40 PolarHBondContact O-N 3.19Å; Y38-A40 VanDerWaalsContact C-N 3.25Å; Y38-A40 PolarHBondContact O-N 2.81Å; A40-K42 PolarHBondContact O-N 2.92Å; A40-Q43 WeakPolarHBondContact O-CB 3.42Å; A40-Q43 PolarHBondContact O-N 3.39Å |
| 41 | E | 97 | Very high | 96.9 | Very high | 149 Ų | 149 | 61.6 Ų | 61.6 | 70% | 0.696 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -65.8 | -17.7 | -178.6 | 71.7 | -72.4 | 168 | 0 | 0 | 114.8 | N39 Q43 | N39-E41 PolarHBondContact O-N 2.75Å; E41-Q43 VanDerWaalsContact C-N 3.34Å |
| 42 | K | 97.7 | Very high | 96.7 | Very high | 116 Ų | 116 | 59.8 Ų | 59.8 | 50% | 0.504 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -91.5 | 0 | 176.2 | -57.5 | -178.9 | -175.8 | 175.6 | 0 | 112.7 | N39 A40 R70 F71 | N39-K42 HydrophobicContact CB-CB 4.35Å; N39-K42 WeakPolarHBondContact O-CA 3.2Å; N39-K42 WeakPolarHBondContact O-CB 3.3Å; N39-K42 PolarHBondContact O-N 2.91Å; A40-K42 PolarHBondContact O-N 2.92Å; K42-R70 WeakPolarHBondContact O-CD 3.21Å; K42-F71 HydrophobicContact CB-CD2 4.09Å; K42-F71 PolarHBondContact O-N 3.04Å |
| 43 | Q | 98.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -76 | 120.1 | 174.6 | -168.4 | 67.3 | 49 | 0 | 0 | 109.9 | S36 N39 A40 E41 F71 | S36-Q43 VanDerWaalsContact O-CD 3.26Å; S36-Q43 WeakPolarHBondContact O-CG 3.43Å; N39-Q43 HydrophobicContact CB-CB 4.16Å; N39-Q43 PolarHBondContact ND2-OE1 3.35Å; N39-Q43 PolarHBondContact O-N 3.09Å; A40-Q43 WeakPolarHBondContact O-CB 3.42Å; A40-Q43 PolarHBondContact O-N 3.39Å; E41-Q43 VanDerWaalsContact C-N 3.34Å; Q43-F71 CarbonylContact C-O 3.52Å; Q43-F71 WeakPolarHBondContact CA-O 3.3Å; Q43-F71 PolarHBondContact NE2-O 3.02Å |
| 44 | G | 98 | Very high | 96.1 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 154.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q67 F71 | G44-Q67 VanDerWaalsContact CA-OE1 3.32Å; G44-F71 PolarHBondContact N-O 3.08Å |
| 45 | E | 97.9 | Very high | 95.8 | Very high | 83 Ų | 83 | 60.1 Ų | 60.1 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -100.7 | 133.4 | -178.9 | -172.6 | -171.1 | 177.2 | 0 | 0 | 109.9 | K47 T66 Y72 | E45-K47 WeakPolarHBondContact OE1-CE 3.21Å; E45-T66 WeakPolarHBondContact O-CG2 3.26Å; E45-T66 PolarHBondContact O-N 2.82Å; E45-T66 PolarHBondContact O-OG1 2.66Å; E45-Y72 WeakPolarHBondContact O-CE1 3.39Å |
| 46 | F | 98.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 144.4 | 166 | -72.9 | -85.3 | 0 | 0 | 0 | 111.4 | I30 Q35 L63 K64 T65 Y72 I74 F314 L316 F325 | I30-F46 HydrophobicContact CD1-CB 3.9Å; I30-F46 WeakPolarHBondContact CD1-O 3.14Å; Q35-F46 PolarHBondContact NE2-O 2.72Å; F46-L63 HydrophobicContact CB-CD1 3.66Å; F46-L63 HydrophobicContact CB-CG 4.19Å; F46-L63 HydrophobicContact CD1-CD1 4.01Å; F46-L63 HydrophobicContact CD1-CD2 3.99Å; F46-L63 HydrophobicContact CD1-CG 3.54Å; F46-L63 HydrophobicContact CE1-CD2 4.14Å; F46-L63 HydrophobicContact CE1-CG 4.09Å; F46-L63 HydrophobicContact CG-CD1 4.08Å; F46-L63 HydrophobicContact CG-CD2 4.45Å; F46-L63 HydrophobicContact CG-CG 4.09Å; F46-K64 VanDerWaalsContact CA-O 3.32Å; F46-K64 WeakPolarHBondContact CA-O 3.35Å; F46-T65 HydrophobicContact CD1-CG2 3.94Å; F46-T65 HydrophobicContact CE1-CG2 3.43Å; F46-T65 VanDerWaalsContact CE1-CG2 3.43Å; F46-T65 HydrophobicContact CZ-CG2 4.03Å; F46-Y72 HydrophobicContact CD1-CD1 4.5Å; F46-Y72 HydrophobicContact CD2-CD1 4.02Å; F46-Y72 HydrophobicContact CE1-CD1 4.32Å; F46-Y72 AromaticContact CE2-CD1 3.79Å; F46-Y72 HydrophobicContact CE2-CD1 3.79Å; F46-Y72 HydrophobicContact CE2-CG 4.17Å; F46-Y72 HydrophobicContact CG-CD1 4.4Å; F46-Y72 AromaticContact CZ-CD1 3.98Å; F46-Y72 HydrophobicContact CZ-CD1 3.98Å; F46-Y72 HydrophobicContact CZ-CG 4.15Å; F46-I74 HydrophobicContact CB-CD1 3.99Å; F46-I74 HydrophobicContact CD2-CB 3.65Å; F46-I74 HydrophobicContact CD2-CD1 4.02Å; F46-I74 HydrophobicContact CD2-CG1 4.37Å; F46-I74 HydrophobicContact CD2-CG2 3.64Å; F46-I74 HydrophobicContact CE1-CG2 4.23Å; F46-I74 HydrophobicContact CE2-CB 3.61Å; F46-I74 HydrophobicContact CE2-CG2 3.3Å; F46-I74 HydrophobicContact CG-CB 4.47Å; F46-I74 HydrophobicContact CG-CD1 4.12Å; F46-I74 HydrophobicContact CG-CG2 4.21Å; F46-I74 HydrophobicContact CZ-CB 4.42Å; F46-I74 HydrophobicContact CZ-CG2 3.61Å; F46-F314 HydrophobicContact CZ-CB 4.03Å; F46-L316 HydrophobicContact CZ-CD1 4.45Å; F46-F325 HydrophobicContact CE1-CD2 4.31Å; F46-F325 HydrophobicContact CE1-CE2 4.18Å |
| 47 | K | 97.5 | Very high | 95.2 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 158.9 | 169.7 | -66.2 | -175.2 | -175.5 | -179.8 | 0 | 110 | E45 E49 L63 K64 T66 | E45-K47 WeakPolarHBondContact OE1-CE 3.21Å; K47-E49 HydrophobicContact CB-CG 4.14Å; K47-L63 CarbonylContact O-C 3.51Å; K47-K64 PolarHBondContact N-O 2.93Å; K47-K64 PolarHBondContact O-N 2.82Å; K47-T66 HydrophobicContact CB-CG2 4.07Å; K47-T66 HydrophobicContact CD-CG2 3.9Å; K47-T66 HydrophobicContact CG-CG2 3.82Å |
| 48 | V | 97.8 | Very high | 94.9 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 110.9 | 170.9 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | F25 I30 L61 G62 | F25-V48 HydrophobicContact CB-CG1 3.78Å; F25-V48 HydrophobicContact CD1-CG1 4.14Å; F25-V48 HydrophobicContact CD1-CG2 3.68Å; F25-V48 HydrophobicContact CE1-CG2 4.11Å; F25-V48 HydrophobicContact CG-CG1 4.14Å; F25-V48 HydrophobicContact CG-CG2 4.45Å; I30-V48 HydrophobicContact CB-CG2 3.92Å; I30-V48 HydrophobicContact CG1-CG2 4.36Å; V48-L61 HydrophobicContact CG1-CB 4.11Å; V48-L61 HydrophobicContact CG1-CD2 4.4Å; V48-G62 CarbonylContact C-O 3.58Å; V48-G62 VanDerWaalsContact CA-O 3.3Å; V48-G62 WeakPolarHBondContact CA-O 3.25Å |
| 49 | E | 96 | Very high | 94.6 | Very high | 72 Ų | 72 | 64.2 Ų | 64.2 | 34% | 0.336 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 151 | -175.7 | -67.7 | -177.2 | -172.7 | 0 | 0 | 110.5 | K47 G62 K64 | K47-E49 HydrophobicContact CB-CG 4.14Å; E49-G62 PolarHBondContact N-O 2.75Å; E49-G62 PolarHBondContact O-N 3.16Å; E49-G62 VanDerWaalsContact O-N 3.15Å; E49-G62 VanDerWaalsContact O-O 3.14Å; E49-K64 HydrophobicContact CB-CB 4.3Å; E49-K64 HydrophobicContact CB-CD 3.91Å; E49-K64 WeakPolarHBondContact OE2-CD 3.27Å; E49-K64 IonicContact OE2-NZ 3.61Å; E49-K64 PolarHBondContact OE2-NZ 2.59Å |
| 50 | A | 94 | Very high | 94.4 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | trans | -85.1 | -6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P54 D60 L61 | A50-P54 HydrophobicContact CB-CB 3.67Å; A50-P54 HydrophobicContact CB-CG 4.03Å; A50-D60 WeakPolarHBondContact CA-O 3.23Å; A50-D60 HydrophobicContact CB-CB 4.07Å; A50-L61 HydrophobicContact CB-CD2 4.23Å | ||
| 51 | G | 92.1 | Very high | 94.3 | Very high | 20 Ų | 20 | 60.1 Ų | 60.1 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | trans | 85.3 | -173.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I324 | G51-I324 VanDerWaalsContact CA-CD1 3.46Š| ||
| 52 | K | 89.6 | Confident | 94.4 | Very high | 130 Ų | 130 | 53 Ų | 53 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -77.1 | 122.3 | 171.9 | -62.2 | 166 | -165.1 | 165.2 | 0 | 107.4 | D98 | K52-D98 WeakPolarHBondContact CA-OD1 3.47Å; K52-D98 WeakPolarHBondContact CB-OD1 3.37Å; K52-D98 WeakPolarHBondContact CG-OD1 3.24Å; K52-D98 WeakPolarHBondContact CG-OD2 3.36Å; K52-D98 PolarHBondContact N-OD1 3.11Å; K52-D98 PolarHBondContact NZ-O 2.71Å |
| 53 | S | 88.6 | Confident | 94.4 | Very high | 73 Ų | 73 | 47.5 Ų | 47.5 | 51% | 0.51 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 60.6 | 64.7 | -179.1 | -53.5 | 0 | 0 | 0 | 0 | 114.6 | K355 | S53-K355 PolarHBondContact OG-NZ 2.97Å; S53-K355 VanDerWaalsContact OG-NZ 3.13Å |
| 54 | P | 91.8 | Very high | 94.4 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 28% | 0.279 | 25% | 0.253 | S | S | . | . | trans | -63.3 | 147.5 | 164.6 | 31.2 | -35.2 | 0 | 0 | 0 | 110.5 | A50 P57 D60 | A50-P54 HydrophobicContact CB-CB 3.67Å; A50-P54 HydrophobicContact CB-CG 4.03Å; P54-P57 HydrophobicContact CG-CB 4.31Å; P54-P57 HydrophobicContact CG-CG 4.2Å; P54-D60 WeakPolarHBondContact CA-OD2 3.18Å; P54-D60 HydrophobicContact CB-CB 3.96Å | ||
| 55 | V | 92.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 47 Ų | 47 | 37% | 0.37 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -70.2 | -46.1 | 166.5 | 175.8 | 0 | 0 | 0 | 0 | 108.9 | D60 R348 A351 E352 | V55-D60 WeakPolarHBondContact CA-OD2 3.42Å; V55-D60 WeakPolarHBondContact CB-OD2 3.42Å; V55-D60 PolarHBondContact N-OD2 3.19Å; V55-R348 HydrophobicContact CG2-CG 4.3Å; V55-A351 HydrophobicContact CB-CB 4.31Å; V55-A351 HydrophobicContact CG1-CB 3.53Å; V55-A351 HydrophobicContact CG2-CB 3.74Å; V55-E352 HydrophobicContact CG2-CG 3.82Å |
| 56 | D | 92.3 | Very high | 94.4 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -129 | 114.3 | 173.2 | -171.4 | -58.2 | 0 | 0 | 0 | 109.5 | I58 E59 D60 | D56-I58 PolarHBondContact O-N 3.49Å; D56-I58 PolarHBondContact OD1-N 3.38Å; D56-E59 HydrophobicContact CB-CB 3.95Å; D56-E59 HydrophobicContact CB-CG 4.34Å; D56-E59 PolarHBondContact OD1-N 3.19Å; D56-D60 PolarHBondContact N-OD2 2.49Å; D56-D60 WeakPolarHBondContact O-CB 3.23Å; D56-D60 PolarHBondContact O-N 3.42Å |
| 57 | P | 91 | Very high | 94.4 | Very high | 85 Ų | 85 | 47.9 Ų | 47.9 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.2 | -175.3 | -25.5 | 34.2 | 0 | 0 | 0 | 115.7 | P54 | P54-P57 HydrophobicContact CG-CB 4.31Å; P54-P57 HydrophobicContact CG-CG 4.2Å |
| 58 | I | 91.2 | Very high | 94.4 | Very high | 113 Ų | 113 | 47.6 Ų | 47.6 | 58% | 0.579 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -48.4 | -178.8 | -58.8 | 175.1 | 0 | 0 | 0 | 110.2 | D56 D60 L61 | D56-I58 PolarHBondContact O-N 3.49Å; D56-I58 PolarHBondContact OD1-N 3.38Å; I58-D60 PolarHBondContact O-N 2.96Å; I58-L61 WeakPolarHBondContact O-CD1 3.36Å; I58-L61 WeakPolarHBondContact O-CG 2.99Å; I58-L61 PolarHBondContact O-N 2.84Å |
| 59 | E | 90.9 | Very high | 94.4 | Very high | 114 Ų | 114 | 49 Ų | 49 | 53% | 0.533 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -22.1 | -179.7 | -59.1 | -175.6 | 153.7 | 0 | 0 | 112.5 | D56 K347 | D56-E59 HydrophobicContact CB-CB 3.95Å; D56-E59 HydrophobicContact CB-CG 4.34Å; D56-E59 PolarHBondContact OD1-N 3.19Å; E59-K347 IonicContact OE2-NZ 3.63Å; E59-K347 PolarHBondContact OE2-NZ 2.68Å |
| 60 | D | 93.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 2.5 | -178.1 | -64.4 | -19 | 0 | 0 | 0 | 114.4 | A50 P54 V55 D56 I58 G62 R348 | A50-D60 WeakPolarHBondContact CA-O 3.23Å; A50-D60 HydrophobicContact CB-CB 4.07Å; P54-D60 WeakPolarHBondContact CA-OD2 3.18Å; P54-D60 HydrophobicContact CB-CB 3.96Å; V55-D60 WeakPolarHBondContact CA-OD2 3.42Å; V55-D60 WeakPolarHBondContact CB-OD2 3.42Å; V55-D60 PolarHBondContact N-OD2 3.19Å; D56-D60 PolarHBondContact N-OD2 2.49Å; D56-D60 WeakPolarHBondContact O-CB 3.23Å; D56-D60 PolarHBondContact O-N 3.42Å; I58-D60 PolarHBondContact O-N 2.96Å; D60-G62 PolarHBondContact O-N 3.36Å; D60-R348 PolarHBondContact O-NH1 2.96Å; D60-R348 WeakPolarHBondContact OD1-CD 3.35Å; D60-R348 IonicContact OD1-CZ 3.87Å; D60-R348 IonicContact OD1-NE 2.76Å; D60-R348 IonicContact OD1-NH1 2.62Å |
| 61 | L | 96.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | trans | -57 | 129.5 | 176.7 | -72.2 | 170.7 | 0 | 0 | 0 | 110.7 | F25 E28 V48 A50 I58 D326 | F25-L61 HydrophobicContact CB-CB 4.35Å; E28-L61 HydrophobicContact CB-CD1 4.43Å; E28-L61 HydrophobicContact CG-CD1 3.31Å; E28-L61 HydrophobicContact CG-CD2 3.83Å; E28-L61 HydrophobicContact CG-CG 4.21Å; V48-L61 HydrophobicContact CG1-CB 4.11Å; V48-L61 HydrophobicContact CG1-CD2 4.4Å; A50-L61 HydrophobicContact CB-CD2 4.23Å; I58-L61 WeakPolarHBondContact O-CD1 3.36Å; I58-L61 WeakPolarHBondContact O-CG 2.99Å; I58-L61 PolarHBondContact O-N 2.84Å; L61-D326 VanDerWaalsContact O-CG 3.25Å | ||
| 62 | G | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 170.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V48 E49 D60 K64 F325 | V48-G62 CarbonylContact C-O 3.58Å; V48-G62 VanDerWaalsContact CA-O 3.3Å; V48-G62 WeakPolarHBondContact CA-O 3.25Å; E49-G62 PolarHBondContact N-O 2.75Å; E49-G62 PolarHBondContact O-N 3.16Å; E49-G62 VanDerWaalsContact O-N 3.15Å; E49-G62 VanDerWaalsContact O-O 3.14Å; D60-G62 PolarHBondContact O-N 3.36Å; G62-K64 PolarHBondContact O-N 3.4Å; G62-F325 CarbonylContact C-O 3.59Å; G62-F325 WeakPolarHBondContact CA-O 3.34Å |
| 63 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 107.3 | 177.3 | -170.1 | 68.1 | 0 | 0 | 0 | 110.3 | F25 I30 W33 F46 K47 I74 F314 I324 F325 | F25-L63 HydrophobicContact CE1-CB 4.18Å; F25-L63 HydrophobicContact CE1-CD1 4.47Å; F25-L63 HydrophobicContact CE2-CB 4.05Å; F25-L63 HydrophobicContact CZ-CB 3.6Å; F25-L63 HydrophobicContact CZ-CG 4.47Å; I30-L63 HydrophobicContact CD1-CD1 3.64Å; I30-L63 HydrophobicContact CG1-CD1 4.13Å; W33-L63 HydrophobicContact CE3-CD2 4.34Å; W33-L63 HydrophobicContact CZ3-CD2 4.47Å; F46-L63 HydrophobicContact CB-CD1 3.66Å; F46-L63 HydrophobicContact CB-CG 4.19Å; F46-L63 HydrophobicContact CD1-CD1 4.01Å; F46-L63 HydrophobicContact CD1-CD2 3.99Å; F46-L63 HydrophobicContact CD1-CG 3.54Å; F46-L63 HydrophobicContact CE1-CD2 4.14Å; F46-L63 HydrophobicContact CE1-CG 4.09Å; F46-L63 HydrophobicContact CG-CD1 4.08Å; F46-L63 HydrophobicContact CG-CD2 4.45Å; F46-L63 HydrophobicContact CG-CG 4.09Å; K47-L63 CarbonylContact O-C 3.51Å; L63-I74 HydrophobicContact CD1-CD1 3.81Å; L63-I74 HydrophobicContact CD2-CD1 4.05Å; L63-I74 HydrophobicContact CD2-CG2 3.76Å; L63-F314 HydrophobicContact CD2-CD2 3.79Å; L63-F314 HydrophobicContact CD2-CE2 3.94Å; L63-I324 WeakPolarHBondContact O-CA 3.18Å; L63-F325 HydrophobicContact CB-CB 4.36Å; L63-F325 PolarHBondContact N-O 2.79Å; L63-F325 VanDerWaalsContact O-CD2 3.3Å; L63-F325 WeakPolarHBondContact O-CD2 3.39Å; L63-F325 PolarHBondContact O-N 2.84Å |
| 64 | K | 98 | Very high | 95.9 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 133.8 | -173.4 | -174.8 | 176 | -179.4 | -173.4 | 0 | 112.8 | F46 K47 E49 G62 D98 S323 I324 | F46-K64 VanDerWaalsContact CA-O 3.32Å; F46-K64 WeakPolarHBondContact CA-O 3.35Å; K47-K64 PolarHBondContact N-O 2.93Å; K47-K64 PolarHBondContact O-N 2.82Å; E49-K64 HydrophobicContact CB-CB 4.3Å; E49-K64 HydrophobicContact CB-CD 3.91Å; E49-K64 WeakPolarHBondContact OE2-CD 3.27Å; E49-K64 IonicContact OE2-NZ 3.61Å; E49-K64 PolarHBondContact OE2-NZ 2.59Å; G62-K64 PolarHBondContact O-N 3.4Å; K64-D98 VanDerWaalsContact CE-OD2 3.24Å; K64-D98 WeakPolarHBondContact CE-OD2 3.41Å; K64-D98 IonicContact NZ-OD2 3.34Å; K64-D98 PolarHBondContact NZ-OD2 2.95Å; K64-S323 VanDerWaalsContact CA-O 3.27Å; K64-S323 WeakPolarHBondContact CA-O 3.36Å; K64-I324 HydrophobicContact CB-CG1 3.98Å; K64-I324 HydrophobicContact CD-CD1 4.17Å; K64-I324 HydrophobicContact CD-CG1 4.03Å; K64-I324 HydrophobicContact CG-CD1 4.47Å; K64-I324 HydrophobicContact CG-CG1 3.78Å |
| 65 | T | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 137.6 | 167.3 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | F46 Y72 L316 Q318 G322 S323 F325 | F46-T65 HydrophobicContact CD1-CG2 3.94Å; F46-T65 HydrophobicContact CE1-CG2 3.43Å; F46-T65 VanDerWaalsContact CE1-CG2 3.43Å; F46-T65 HydrophobicContact CZ-CG2 4.03Å; T65-Y72 VanDerWaalsContact CB-CZ 3.48Å; T65-Y72 HydrophobicContact CG2-CD1 3.61Å; T65-Y72 HydrophobicContact CG2-CD2 4.03Å; T65-Y72 HydrophobicContact CG2-CE1 3.72Å; T65-Y72 HydrophobicContact CG2-CE2 4.14Å; T65-Y72 HydrophobicContact CG2-CG 3.75Å; T65-L316 HydrophobicContact CG2-CD1 4.43Å; T65-Q318 VanDerWaalsContact CG2-OE1 3.3Å; T65-Q318 PolarHBondContact OG1-OE1 2.68Å; T65-G322 WeakPolarHBondContact O-CA 3.27Å; T65-G322 PolarHBondContact O-N 3.34Å; T65-G322 PolarHBondContact OG1-N 2.78Å; T65-S323 PolarHBondContact N-O 2.8Å; T65-S323 PolarHBondContact OG1-N 2.79Å; T65-S323 PolarHBondContact OG1-O 2.96Å; T65-F325 HydrophobicContact CG2-CE2 4.26Å |
| 66 | T | 97.9 | Very high | 96.5 | Very high | 38 Ų | 38 | 39 Ų | 39 | 23% | 0.233 | 20% | 0.2 | C | C | . | . | trans | -111.7 | -41.8 | -165.4 | 60.9 | 0 | 0 | 0 | 0 | 115.8 | E45 K47 Y72 S321 | E45-T66 WeakPolarHBondContact O-CG2 3.26Å; E45-T66 PolarHBondContact O-N 2.82Å; E45-T66 PolarHBondContact O-OG1 2.66Å; K47-T66 HydrophobicContact CB-CG2 4.07Å; K47-T66 HydrophobicContact CD-CG2 3.9Å; K47-T66 HydrophobicContact CG-CG2 3.82Å; T66-Y72 PolarHBondContact N-OH 2.81Å; T66-Y72 VanDerWaalsContact N-OH 3.08Å; T66-S321 PolarHBondContact O-OG 2.76Å | ||
| 67 | Q | 97.9 | Very high | 96.8 | Very high | 65 Ų | 65 | 42.6 Ų | 42.6 | 30% | 0.304 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -107.2 | 136.9 | -177.7 | -46.7 | 91.2 | -9 | 0 | 0 | 114.3 | G44 R70 Y72 S321 | G44-Q67 VanDerWaalsContact CA-OE1 3.32Å; Q67-R70 HydrophobicContact CB-CG 3.87Å; Q67-Y72 VanDerWaalsContact C-OH 3.31Å; Q67-Y72 WeakPolarHBondContact CA-OH 3.43Å; Q67-Y72 PolarHBondContact N-OH 3.39Å; Q67-Y72 PolarHBondContact O-OH 3.3Å; Q67-S321 VanDerWaalsContact C-CB 3.48Å; Q67-S321 WeakPolarHBondContact O-CB 3.39Å |
| 68 | D | 97.9 | Very high | 97.1 | Very high | 76 Ų | 76 | 38.6 Ų | 38.6 | 41% | 0.406 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -66.1 | 153.8 | 175.6 | -70.9 | -20.9 | 0 | 0 | 0 | 112.9 | R70 K99 V319 S321 | D68-R70 PolarHBondContact O-N 3.13Å; D68-R70 PolarHBondContact O-NH1 2.8Å; D68-R70 VanDerWaalsContact O-NH1 3.16Å; D68-K99 WeakPolarHBondContact OD1-CE 3.46Å; D68-K99 IonicContact OD1-NZ 3.66Å; D68-K99 PolarHBondContact OD1-NZ 2.6Å; D68-K99 IonicContact OD2-NZ 3Å; D68-K99 PolarHBondContact OD2-NZ 2.8Å; D68-V319 WeakPolarHBondContact CA-O 3.5Å; D68-V319 WeakPolarHBondContact CB-O 3.42Å; D68-S321 PolarHBondContact OD1-N 3.33Å; D68-S321 PolarHBondContact OD1-OG 3.37Å; D68-S321 VanDerWaalsContact OD1-OG 3.09Å |
| 69 | A | 97.7 | Very high | 97.3 | Very high | 46 Ų | 46 | 38.6 Ų | 38.6 | 38% | 0.38 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 50 | 57 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W317 Q318 V319 | A69-W317 HydrophobicContact CB-CH2 4.1Å; A69-Q318 WeakPolarHBondContact CA-O 3.42Å; A69-Q318 PolarHBondContact N-O 3.14Å; A69-Q318 VanDerWaalsContact N-O 3.08Å; A69-V319 PolarHBondContact N-O 2.74Å |
| 70 | R | 98.2 | Very high | 97.5 | Very high | 85 Ų | 85 | 38.8 Ų | 38.8 | 32% | 0.321 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 152.3 | 179.6 | -72 | -61 | 179.2 | -75.6 | -2.1 | 112.4 | K42 Q67 D68 Y72 W317 Q318 | K42-R70 WeakPolarHBondContact O-CD 3.21Å; Q67-R70 HydrophobicContact CB-CG 3.87Å; D68-R70 PolarHBondContact O-N 3.13Å; D68-R70 PolarHBondContact O-NH1 2.8Å; D68-R70 VanDerWaalsContact O-NH1 3.16Å; R70-Y72 HydrophobicContact CB-CD2 4.31Å; R70-Y72 HydrophobicContact CB-CE2 3.69Å; R70-Y72 WeakPolarHBondContact O-CD2 3.08Å; R70-W317 VanDerWaalsContact C-CE3 3.49Å; R70-W317 VanDerWaalsContact O-CE3 3.31Å; R70-Q318 PolarHBondContact N-O 2.88Å; R70-Q318 VanDerWaalsContact N-O 3.1Å; R70-Q318 PolarHBondContact O-N 2.82Å; R70-Q318 VanDerWaalsContact O-N 3.12Å |
| 71 | F | 98.3 | Very high | 97.7 | Very high | 70 Ų | 70 | 41.4 Ų | 41.4 | 31% | 0.307 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 133 | 163.2 | -65.7 | -80.3 | 0 | 0 | 0 | 109 | N39 K42 Q43 G44 L316 W317 | N39-F71 HydrophobicContact CB-CB 3.98Å; N39-F71 HydrophobicContact CB-CD2 4.21Å; N39-F71 HydrophobicContact CB-CG 4.38Å; N39-F71 VanDerWaalsContact ND2-CB 3.33Å; N39-F71 WeakPolarHBondContact ND2-CB 2.8Å; K42-F71 HydrophobicContact CB-CD2 4.09Å; K42-F71 PolarHBondContact O-N 3.04Å; Q43-F71 CarbonylContact C-O 3.52Å; Q43-F71 WeakPolarHBondContact CA-O 3.3Å; Q43-F71 PolarHBondContact NE2-O 3.02Å; G44-F71 PolarHBondContact N-O 3.08Å; F71-L316 CarbonylContact C-O 3.52Å; F71-L316 WeakPolarHBondContact CA-O 3.48Å; F71-W317 HydrophobicContact CD1-CB 4.2Å; F71-W317 HydrophobicContact CD1-CD2 4.48Å; F71-W317 AromaticContact CD1-CE3 3.74Å; F71-W317 HydrophobicContact CD1-CE3 3.74Å; F71-W317 AromaticContact CD2-CE3 3.98Å; F71-W317 HydrophobicContact CD2-CE3 3.98Å; F71-W317 HydrophobicContact CD2-CZ3 4.02Å; F71-W317 HydrophobicContact CE1-CB 4.17Å; F71-W317 HydrophobicContact CE1-CD2 4.18Å; F71-W317 AromaticContact CE1-CE3 3.68Å; F71-W317 HydrophobicContact CE1-CE3 3.68Å; F71-W317 HydrophobicContact CE1-CG 4.41Å; F71-W317 HydrophobicContact CE1-CZ3 4.46Å; F71-W317 AromaticContact CE2-CE3 3.92Å; F71-W317 HydrophobicContact CE2-CE3 3.92Å; F71-W317 AromaticContact CE2-CZ3 3.89Å; F71-W317 HydrophobicContact CE2-CZ3 3.89Å; F71-W317 AromaticContact CG-CE3 3.89Å; F71-W317 HydrophobicContact CG-CE3 3.89Å; F71-W317 HydrophobicContact CG-CZ3 4.36Å; F71-W317 HydrophobicContact CZ-CD2 4.43Å; F71-W317 AromaticContact CZ-CE3 3.77Å; F71-W317 HydrophobicContact CZ-CE3 3.77Å; F71-W317 HydrophobicContact CZ-CZ3 4.12Å |
| 72 | Y | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.9 | 177.6 | -72.5 | -86.8 | 0 | 0 | 0 | 108.9 | E45 F46 T65 T66 Q67 R70 D315 L316 Q318 | E45-Y72 WeakPolarHBondContact O-CE1 3.39Å; F46-Y72 HydrophobicContact CD1-CD1 4.5Å; F46-Y72 HydrophobicContact CD2-CD1 4.02Å; F46-Y72 HydrophobicContact CE1-CD1 4.32Å; F46-Y72 AromaticContact CE2-CD1 3.79Å; F46-Y72 HydrophobicContact CE2-CD1 3.79Å; F46-Y72 HydrophobicContact CE2-CG 4.17Å; F46-Y72 HydrophobicContact CG-CD1 4.4Å; F46-Y72 AromaticContact CZ-CD1 3.98Å; F46-Y72 HydrophobicContact CZ-CD1 3.98Å; F46-Y72 HydrophobicContact CZ-CG 4.15Å; T65-Y72 VanDerWaalsContact CB-CZ 3.48Å; T65-Y72 HydrophobicContact CG2-CD1 3.61Å; T65-Y72 HydrophobicContact CG2-CD2 4.03Å; T65-Y72 HydrophobicContact CG2-CE1 3.72Å; T65-Y72 HydrophobicContact CG2-CE2 4.14Å; T65-Y72 HydrophobicContact CG2-CG 3.75Å; T66-Y72 PolarHBondContact N-OH 2.81Å; T66-Y72 VanDerWaalsContact N-OH 3.08Å; Q67-Y72 VanDerWaalsContact C-OH 3.31Å; Q67-Y72 WeakPolarHBondContact CA-OH 3.43Å; Q67-Y72 PolarHBondContact N-OH 3.39Å; Q67-Y72 PolarHBondContact O-OH 3.3Å; R70-Y72 HydrophobicContact CB-CD2 4.31Å; R70-Y72 HydrophobicContact CB-CE2 3.69Å; R70-Y72 WeakPolarHBondContact O-CD2 3.08Å; Y72-D315 CarbonylContact O-C 3.57Å; Y72-D315 VanDerWaalsContact O-CA 3.27Å; Y72-D315 WeakPolarHBondContact O-CA 3.42Å; Y72-L316 PolarHBondContact N-O 3.5Å; Y72-L316 PolarHBondContact O-N 3.23Å; Y72-Q318 HydrophobicContact CD2-CB 4.31Å; Y72-Q318 HydrophobicContact CD2-CG 4.29Å; Y72-Q318 HydrophobicContact CE2-CB 4.14Å |
| 73 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 120.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | S36 F314 | S36-G73 WeakPolarHBondContact CB-O 3.36Å; S36-G73 PolarHBondContact N-O 2.75Å; G73-F314 CarbonylContact C-O 3.55Å; G73-F314 VanDerWaalsContact CA-O 3.25Å; G73-F314 WeakPolarHBondContact CA-O 3.49Å |
| 74 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 141 | 177.4 | -164.2 | 178.2 | 0 | 0 | 0 | 109.5 | I30 W33 V34 Q35 F46 L63 G313 F314 | I30-I74 HydrophobicContact CD1-CD1 4.03Å; I30-I74 HydrophobicContact CG1-CD1 4.23Å; W33-I74 HydrophobicContact CB-CD1 3.49Å; W33-I74 VanDerWaalsContact CB-CD1 3.49Å; W33-I74 HydrophobicContact CB-CG1 3.83Å; W33-I74 HydrophobicContact CD2-CD1 4.36Å; W33-I74 HydrophobicContact CE3-CD1 4.16Å; W33-I74 HydrophobicContact CE3-CG1 4.01Å; W33-I74 HydrophobicContact CE3-CG2 4.26Å; W33-I74 HydrophobicContact CG-CD1 4.16Å; V34-I74 WeakPolarHBondContact O-CA 3.43Å; V34-I74 WeakPolarHBondContact O-CG1 3.32Å; Q35-I74 HydrophobicContact CB-CG1 4.46Å; Q35-I74 HydrophobicContact CG-CB 4.45Å; Q35-I74 HydrophobicContact CG-CD1 3.66Å; Q35-I74 HydrophobicContact CG-CG1 3.81Å; F46-I74 HydrophobicContact CB-CD1 3.99Å; F46-I74 HydrophobicContact CD2-CB 3.65Å; F46-I74 HydrophobicContact CD2-CD1 4.02Å; F46-I74 HydrophobicContact CD2-CG1 4.37Å; F46-I74 HydrophobicContact CD2-CG2 3.64Å; F46-I74 HydrophobicContact CE1-CG2 4.23Å; F46-I74 HydrophobicContact CE2-CB 3.61Å; F46-I74 HydrophobicContact CE2-CG2 3.3Å; F46-I74 HydrophobicContact CG-CB 4.47Å; F46-I74 HydrophobicContact CG-CD1 4.12Å; F46-I74 HydrophobicContact CG-CG2 4.21Å; F46-I74 HydrophobicContact CZ-CB 4.42Å; F46-I74 HydrophobicContact CZ-CG2 3.61Å; L63-I74 HydrophobicContact CD1-CD1 3.81Å; L63-I74 HydrophobicContact CD2-CD1 4.05Å; L63-I74 HydrophobicContact CD2-CG2 3.76Å; I74-G313 CarbonylContact O-C 3.53Å; I74-G313 WeakPolarHBondContact O-CA 3.19Å; I74-F314 HydrophobicContact CG2-CB 4.05Å; I74-F314 HydrophobicContact CG2-CD2 4.02Å; I74-F314 PolarHBondContact N-O 3.02Å; I74-F314 PolarHBondContact O-N 3.13Å |
| 75 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | V34 L111 I115 P117 F120 Y311 V312 | V34-A75 PolarHBondContact N-O 2.95Å; V34-A75 PolarHBondContact O-N 3.06Å; A75-L111 HydrophobicContact CB-CD1 4.17Å; A75-I115 HydrophobicContact CB-CD1 4.42Å; A75-P117 HydrophobicContact CB-CB 3.92Å; A75-F120 HydrophobicContact CB-CD1 4.15Å; A75-Y311 HydrophobicContact CB-CD1 4.34Å; A75-V312 CarbonylContact C-O 3.6Å; A75-V312 VanDerWaalsContact CA-O 3.29Å; A75-V312 WeakPolarHBondContact CA-O 3.42Å |
| 76 | R | 98.1 | Very high | 97.7 | Very high | 45 Ų | 45 | 50.7 Ų | 50.7 | 17% | 0.17 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133 | 173 | 177.3 | 163.2 | 173.7 | -135 | -4.8 | 109.9 | F21 S22 E23 N32 W33 Y311 V312 | F21-R76 HydrophobicContact CE2-CB 4.45Å; F21-R76 HydrophobicContact CE2-CG 3.83Å; F21-R76 HydrophobicContact CZ-CB 4.45Å; F21-R76 HydrophobicContact CZ-CG 4.12Å; S22-R76 PolarHBondContact O-NH1 2.8Å; E23-R76 IonicContact OE1-NH1 3.74Å; E23-R76 IonicContact OE2-CZ 2.74Å; E23-R76 IonicContact OE2-NE 3.63Å; E23-R76 IonicContact OE2-NH1 3.55Å; E23-R76 PolarHBondContact OE2-NH1 3.13Å; N32-R76 WeakPolarHBondContact O-CG 3.4Å; W33-R76 HydrophobicContact CD2-CB 3.47Å; W33-R76 VanDerWaalsContact CD2-CB 3.47Å; W33-R76 HydrophobicContact CD2-CG 4.36Å; W33-R76 HydrophobicContact CE3-CB 3.52Å; W33-R76 HydrophobicContact CG-CB 4.02Å; W33-R76 HydrophobicContact CH2-CB 3.94Å; W33-R76 HydrophobicContact CZ2-CB 3.89Å; W33-R76 HydrophobicContact CZ3-CB 3.76Å; W33-R76 VanDerWaalsContact NE1-CD 3.34Å; R76-Y311 VanDerWaalsContact O-CA 3.32Å; R76-Y311 WeakPolarHBondContact O-CA 3.28Å; R76-V312 HydrophobicContact CB-CG1 4.25Å; R76-V312 PolarHBondContact N-O 2.89Å; R76-V312 PolarHBondContact O-N 3.48Å |
| 77 | K | 98 | Very high | 97.7 | Very high | 123 Ų | 123 | 52.4 Ų | 52.4 | 54% | 0.535 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 131.8 | 177.5 | -166.5 | 172.5 | -176.5 | 175.8 | 0 | 109.8 | Y311 | K77-Y311 HydrophobicContact CB-CD1 3.83Å; K77-Y311 HydrophobicContact CB-CE1 3.43Å; K77-Y311 VanDerWaalsContact CB-CE1 3.43Å; K77-Y311 HydrophobicContact CD-CE1 4.24Å; K77-Y311 HydrophobicContact CG-CD1 4.26Å; K77-Y311 HydrophobicContact CG-CE1 3.73Å; K77-Y311 HydrophobicContact CG-CE2 4.23Å |
| 78 | I | 97.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 129.6 | 168.6 | -56.2 | -176.1 | 0 | 0 | 0 | 107.4 | W20 F21 E80 F82 I309 G310 I330 | W20-I78 WeakPolarHBondContact O-CG2 3.2Å; F21-I78 HydrophobicContact CB-CD1 4.43Å; F21-I78 HydrophobicContact CD2-CG1 3.96Å; I78-E80 WeakPolarHBondContact CG2-O 3.17Å; I78-E80 PolarHBondContact O-N 2.94Å; I78-F82 HydrophobicContact CD1-CD1 4.49Å; I78-F82 HydrophobicContact CD1-CE1 3.81Å; I78-F82 HydrophobicContact CG2-CD1 4.38Å; I78-I309 HydrophobicContact CD1-CG2 3.87Å; I78-G310 PolarHBondContact N-O 2.99Å; I78-I330 HydrophobicContact CD1-CD1 4.16Å |
| 79 | S | 94.8 | Very high | 97.8 | Very high | 112 Ų | 112 | 47 Ų | 47 | 78% | 0.783 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57 | -39.2 | -171 | -56.5 | 0 | 0 | 0 | 0 | 113 | ||
| 80 | E | 95 | Very high | 97.8 | Very high | 119 Ų | 119 | 44.8 Ų | 44.8 | 56% | 0.556 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 108.5 | 173.6 | -75.4 | 164.5 | -153.3 | 0 | 0 | 108.1 | K12 I78 | K12-E80 IonicContact NZ-OE1 3.8Å; K12-E80 PolarHBondContact NZ-OE1 3.24Å; K12-E80 IonicContact NZ-OE2 2.65Å; K12-E80 PolarHBondContact NZ-OE2 2.86Å; I78-E80 WeakPolarHBondContact CG2-O 3.17Å; I78-E80 PolarHBondContact O-N 2.94Å |
| 81 | P | 97.5 | Very high | 97.9 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 139.8 | 172.2 | -25.6 | 34.7 | 0 | 0 | 0 | 111.3 | S113 I309 | P81-S113 WeakPolarHBondContact CB-OG 3.42Å; P81-S113 VanDerWaalsContact CG-OG 3.31Å; P81-S113 WeakPolarHBondContact CG-OG 3.25Å; P81-I309 WeakPolarHBondContact CA-O 3.32Å |
| 82 | F | 97.8 | Very high | 97.9 | Very high | 20 Ų | 20 | 37.5 Ų | 37.5 | 9% | 0.088 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 172.7 | -172.5 | 72.5 | -81.1 | 0 | 0 | 0 | 112.3 | W20 I78 M89 I309 I330 | W20-F82 HydrophobicContact CB-CD1 3.72Å; W20-F82 HydrophobicContact CB-CD2 4.45Å; W20-F82 HydrophobicContact CB-CE1 3.55Å; W20-F82 HydrophobicContact CB-CE2 4.32Å; W20-F82 HydrophobicContact CB-CG 4.19Å; W20-F82 HydrophobicContact CB-CZ 3.9Å; W20-F82 AromaticContact CD1-CD1 3.98Å; W20-F82 AromaticContact CD1-CD2 3.79Å; W20-F82 AromaticContact CD1-CG 3.61Å; W20-F82 HydrophobicContact CD2-CD1 4.42Å; W20-F82 AromaticContact CD2-CD2 3.55Å; W20-F82 HydrophobicContact CD2-CD2 3.55Å; W20-F82 HydrophobicContact CD2-CE1 4.31Å; W20-F82 AromaticContact CD2-CE2 3.42Å; W20-F82 HydrophobicContact CD2-CE2 3.42Å; W20-F82 VanDerWaalsContact CD2-CE2 3.42Å; W20-F82 HydrophobicContact CD2-CG 4.08Å; W20-F82 AromaticContact CD2-CZ 3.85Å; W20-F82 HydrophobicContact CD2-CZ 3.85Å; W20-F82 AromaticContact CE2-CD2 3.53Å; W20-F82 AromaticContact CE2-CE2 3.8Å; W20-F82 HydrophobicContact CE3-CD2 4.14Å; W20-F82 AromaticContact CE3-CE2 3.54Å; W20-F82 HydrophobicContact CE3-CE2 3.54Å; W20-F82 AromaticContact CE3-CZ 3.86Å; W20-F82 HydrophobicContact CE3-CZ 3.86Å; W20-F82 HydrophobicContact CG-CB 4.48Å; W20-F82 AromaticContact CG-CD1 3.76Å; W20-F82 HydrophobicContact CG-CD1 3.76Å; W20-F82 AromaticContact CG-CD2 3.7Å; W20-F82 HydrophobicContact CG-CD2 3.7Å; W20-F82 AromaticContact CG-CE1 3.86Å; W20-F82 HydrophobicContact CG-CE1 3.86Å; W20-F82 AromaticContact CG-CE2 3.8Å; W20-F82 HydrophobicContact CG-CE2 3.8Å; W20-F82 AromaticContact CG-CG 3.71Å; W20-F82 HydrophobicContact CG-CG 3.71Å; W20-F82 AromaticContact CG-CZ 3.9Å; W20-F82 HydrophobicContact CG-CZ 3.9Å; W20-F82 HydrophobicContact CH2-CE2 4.27Å; W20-F82 HydrophobicContact CZ2-CD2 4.06Å; W20-F82 HydrophobicContact CZ2-CE2 4.21Å; W20-F82 AromaticContact CZ3-CE2 3.96Å; W20-F82 HydrophobicContact CZ3-CE2 3.96Å; W20-F82 AromaticContact NE1-CD2 3.71Å; W20-F82 AromaticContact NE1-CG 3.91Å; I78-F82 HydrophobicContact CD1-CD1 4.49Å; I78-F82 HydrophobicContact CD1-CE1 3.81Å; I78-F82 HydrophobicContact CG2-CD1 4.38Å; F82-M89 HydrophobicContact CE2-SD 4.46Å; F82-I309 HydrophobicContact CD1-CB 4.17Å; F82-I309 HydrophobicContact CD1-CG2 4.47Å; F82-I309 HydrophobicContact CD2-CD1 4.41Å; F82-I309 HydrophobicContact CE1-CB 3.77Å; F82-I309 HydrophobicContact CE1-CD1 4.4Å; F82-I309 HydrophobicContact CE1-CG2 3.68Å; F82-I309 HydrophobicContact CE2-CB 4.42Å; F82-I309 HydrophobicContact CE2-CD1 3.65Å; F82-I309 HydrophobicContact CZ-CB 3.89Å; F82-I309 HydrophobicContact CZ-CD1 3.63Å; F82-I309 HydrophobicContact CZ-CG1 4.37Å; F82-I309 HydrophobicContact CZ-CG2 3.85Å; F82-I309 PolarHBondContact N-O 2.94Å; F82-I309 VanDerWaalsContact N-O 3.11Å; F82-I309 PolarHBondContact O-N 2.91Å; F82-I330 HydrophobicContact CZ-CG2 3.88Å |
| 83 | S | 98.1 | Very high | 97.9 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 27% | 0.273 | 20% | 0.204 | S | C | . | . | trans | -128.1 | 143.1 | 165.9 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | R85 L306 | S83-R85 PolarHBondContact O-N 2.91Å; S83-R85 PolarHBondContact OG-N 3.36Å; S83-L306 VanDerWaalsContact CA-O 3.31Å; S83-L306 WeakPolarHBondContact CA-O 3.43Å; S83-L306 WeakPolarHBondContact CB-O 3.45Å; S83-L306 PolarHBondContact OG-O 3Å | ||
| 84 | N | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -79 | 8.5 | 173.2 | 69.9 | -29.6 | 0 | 0 | 0 | 113.2 | G86 K87 M89 Y304 V305 L306 | N84-G86 PolarHBondContact O-N 3.17Å; N84-K87 CarbonylContact O-C 3.52Å; N84-K87 PolarHBondContact O-N 3.25Å; N84-M89 HydrophobicContact CB-CB 3.73Å; N84-M89 HydrophobicContact CB-CG 4.36Å; N84-M89 HydrophobicContact CB-SD 4.24Å; N84-Y304 PolarHBondContact ND2-O 3.07Å; N84-Y304 PolarHBondContact OD1-O 3.48Å; N84-V305 WeakPolarHBondContact OD1-CA 3.2Å; N84-L306 PolarHBondContact OD1-N 3.34Å; N84-L306 PolarHBondContact OD1-O 3.19Å | ||
| 85 | R | 97.8 | Very high | 97.9 | Very high | 110 Ų | 110 | 37.7 Ų | 37.7 | 42% | 0.415 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 125.4 | 179.8 | -175.6 | 179.3 | -65.8 | -88.3 | -3.1 | 111.4 | S83 K87 E302 V305 N307 | S83-R85 PolarHBondContact O-N 2.91Å; S83-R85 PolarHBondContact OG-N 3.36Å; R85-K87 PolarHBondContact O-N 3.28Å; R85-E302 IonicContact CZ-OE1 2.67Å; R85-E302 IonicContact CZ-OE2 2.76Å; R85-E302 IonicContact NH1-OE1 3.08Å; R85-E302 PolarHBondContact NH1-OE1 3.14Å; R85-E302 IonicContact NH1-OE2 3.19Å; R85-E302 PolarHBondContact NH1-OE2 2.92Å; R85-E302 IonicContact NH2-OE2 3.87Å; R85-V305 HydrophobicContact CB-CG1 3.93Å; R85-V305 HydrophobicContact CB-CG2 4.37Å; R85-V305 HydrophobicContact CG-CG1 4.41Å; R85-V305 HydrophobicContact CG-CG2 4.31Å; R85-N307 PolarHBondContact NH2-OD1 2.96Å |
| 86 | G | 97.6 | Very high | 97.8 | Very high | 55 Ų | 55 | 38.2 Ų | 38.2 | 57% | 0.567 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 3.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | N84 Y304 | N84-G86 PolarHBondContact O-N 3.17Å; G86-Y304 PolarHBondContact N-OH 3.3Å |
| 87 | K | 97.8 | Very high | 97.8 | Very high | 73 Ų | 73 | 36.4 Ų | 36.4 | 32% | 0.317 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -128.4 | 147.9 | -178.1 | -68.3 | -174.3 | 164.7 | -144.4 | 0 | 111.4 | E18 W20 N84 R85 P176 D332 | E18-K87 IonicContact OE2-NZ 3.62Å; E18-K87 PolarHBondContact OE2-NZ 3.02Å; W20-K87 HydrophobicContact CH2-CB 4.37Å; W20-K87 HydrophobicContact CH2-CD 4.49Å; W20-K87 HydrophobicContact CZ2-CB 4.45Å; W20-K87 HydrophobicContact CZ2-CD 3.84Å; N84-K87 CarbonylContact O-C 3.52Å; N84-K87 PolarHBondContact O-N 3.25Å; R85-K87 PolarHBondContact O-N 3.28Å; K87-P176 VanDerWaalsContact C-CG 3.43Å; K87-D332 HydrophobicContact CB-CB 4.34Å; K87-D332 HydrophobicContact CD-CB 4.32Å; K87-D332 IonicContact NZ-OD2 3.37Å; K87-D332 PolarHBondContact NZ-OD2 2.93Å |
| 88 | T | 98.4 | Very high | 97.6 | Very high | 28 Ų | 28 | 31.3 Ų | 31.3 | 17% | 0.172 | 18% | 0.179 | C | C | . | . | trans | -64.7 | 143.4 | 163.4 | -65.6 | 0 | 0 | 0 | 0 | 108.1 | W20 V90 I173 V174 N175 D332 P334 | W20-T88 WeakPolarHBondContact CH2-O 3.23Å; T88-V90 HydrophobicContact CG2-CG2 4.28Å; T88-I173 HydrophobicContact CG2-CG2 3.62Å; T88-V174 CarbonylContact C-O 3.48Å; T88-V174 WeakPolarHBondContact CA-O 3.21Å; T88-N175 WeakPolarHBondContact CG2-OD1 3.1Å; T88-N175 PolarHBondContact OG1-OD1 2.78Å; T88-D332 WeakPolarHBondContact O-CA 3.42Å; T88-D332 VanDerWaalsContact O-CB 3.3Å; T88-D332 WeakPolarHBondContact O-CB 3.41Å; T88-P334 HydrophobicContact CG2-CG 3.84Å | ||
| 89 | M | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.4 | 170.9 | -177.3 | -173.6 | 72.3 | 0 | 0 | 108.8 | W20 F82 N84 L110 I128 I173 V174 L306 I309 I330 | W20-M89 HydrophobicContact CH2-CB 4.44Å; W20-M89 HydrophobicContact CZ3-CB 4.13Å; W20-M89 HydrophobicContact CZ3-CG 3.85Å; F82-M89 HydrophobicContact CE2-SD 4.46Å; N84-M89 HydrophobicContact CB-CB 3.73Å; N84-M89 HydrophobicContact CB-CG 4.36Å; N84-M89 HydrophobicContact CB-SD 4.24Å; M89-L110 HydrophobicContact CE-CD1 3.99Å; M89-L110 HydrophobicContact SD-CD1 3.92Å; M89-I128 HydrophobicContact CE-CD1 3.75Å; M89-I173 CarbonylContact O-C 3.5Å; M89-I173 WeakPolarHBondContact O-CA 3.17Å; M89-V174 HydrophobicContact CE-CB 4.49Å; M89-V174 HydrophobicContact CE-CG2 4.3Å; M89-V174 PolarHBondContact N-O 3.03Å; M89-V174 PolarHBondContact O-N 2.91Å; M89-L306 HydrophobicContact CE-CD1 3.52Å; M89-L306 HydrophobicContact SD-CD1 3.99Å; M89-I309 HydrophobicContact SD-CD1 3.79Å; M89-I330 HydrophobicContact CG-CG2 4.2Å |
| 90 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.9 | 173.7 | -170.6 | 0 | 0 | 0 | 0 | 107.8 | T88 T171 L172 I173 I330 T331 P334 A337 | T88-V90 HydrophobicContact CG2-CG2 4.28Å; V90-T171 HydrophobicContact CG1-CG2 3.49Å; V90-T171 VanDerWaalsContact CG1-CG2 3.49Å; V90-L172 CarbonylContact C-O 3.59Å; V90-L172 WeakPolarHBondContact CA-O 3.34Å; V90-I173 HydrophobicContact CG1-CG1 4.21Å; V90-I173 HydrophobicContact CG2-CG1 4.3Å; V90-I173 HydrophobicContact CG2-CG2 4.45Å; V90-I330 VanDerWaalsContact O-CA 3.27Å; V90-I330 WeakPolarHBondContact O-CA 3.44Å; V90-T331 HydrophobicContact CB-CG2 3.96Å; V90-T331 HydrophobicContact CG2-CG2 4.39Å; V90-T331 PolarHBondContact N-O 2.62Å; V90-T331 PolarHBondContact O-N 2.96Å; V90-T331 VanDerWaalsContact O-N 3.13Å; V90-P334 HydrophobicContact CG2-CB 4.35Å; V90-P334 HydrophobicContact CG2-CG 3.88Å; V90-A337 HydrophobicContact CB-CB 4.27Å; V90-A337 HydrophobicContact CG1-CB 3.56Å |
| 91 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 113.7 | 171.6 | 172.7 | 60.5 | 0 | 0 | 0 | 107.9 | I108 L110 I128 F130 T171 L172 I330 | L91-I108 HydrophobicContact CD1-CD1 4.48Å; L91-I108 HydrophobicContact CD1-CG2 4.21Å; L91-I108 HydrophobicContact CD2-CG2 3.85Å; L91-I108 HydrophobicContact CG-CG2 4.19Å; L91-L110 HydrophobicContact CD1-CD2 4.1Å; L91-L110 HydrophobicContact CD2-CD1 4.14Å; L91-L110 HydrophobicContact CD2-CD2 4.31Å; L91-L110 HydrophobicContact CD2-CG 4Å; L91-I128 HydrophobicContact CD2-CG2 4.42Å; L91-F130 HydrophobicContact CD2-CB 4.07Å; L91-F130 HydrophobicContact CD2-CD1 4.11Å; L91-F130 HydrophobicContact CG-CD1 4.19Å; L91-T171 WeakPolarHBondContact O-CA 3.4Å; L91-L172 PolarHBondContact N-O 2.93Å; L91-L172 PolarHBondContact O-N 3.29Å; L91-I330 HydrophobicContact CD1-CD1 4.28Å; L91-I330 HydrophobicContact CD1-CG1 3.89Å |
| 92 | Q | 98.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140.5 | -174.5 | 178.8 | 172.9 | -69.3 | 0 | 0 | 110.2 | L169 Y170 T171 I328 L329 A337 | Q92-L169 HydrophobicContact CG-CD1 3.59Å; Q92-L169 HydrophobicContact CG-CG 4.28Å; Q92-Y170 VanDerWaalsContact CA-O 3.32Å; Q92-Y170 WeakPolarHBondContact CA-O 3.45Å; Q92-T171 HydrophobicContact CB-CG2 4.2Å; Q92-T171 WeakPolarHBondContact CG-OG1 3.47Å; Q92-T171 PolarHBondContact OE1-OG1 3.38Å; Q92-T171 VanDerWaalsContact OE1-OG1 3.1Å; Q92-I328 CarbonylContact O-C 3.58Å; Q92-I328 WeakPolarHBondContact O-CA 3.49Å; Q92-L329 HydrophobicContact CB-CB 4.3Å; Q92-L329 PolarHBondContact N-O 2.98Å; Q92-L329 PolarHBondContact O-N 2.82Å; Q92-A337 PolarHBondContact NE2-O 2.72Å; Q92-A337 PolarHBondContact OE1-O 3.02Å; Q92-A337 VanDerWaalsContact OE1-O 3.11Å |
| 93 | F | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 162.1 | 172.1 | 71.7 | -63.6 | 0 | 0 | 0 | 110.4 | V95 I108 F130 Y170 F314 F325 N327 I328 | F93-V95 HydrophobicContact CD2-CG2 3.9Å; F93-V95 HydrophobicContact CE2-CG2 3.31Å; F93-V95 HydrophobicContact CZ-CG2 3.98Å; F93-I108 HydrophobicContact CD1-CG2 3.87Å; F93-I108 HydrophobicContact CE1-CB 4.27Å; F93-I108 HydrophobicContact CE1-CG2 3.63Å; F93-I108 HydrophobicContact CE2-CB 4.35Å; F93-I108 HydrophobicContact CG-CG2 4.48Å; F93-I108 HydrophobicContact CZ-CB 4.18Å; F93-I108 HydrophobicContact CZ-CG2 4.01Å; F93-F130 HydrophobicContact CD1-CD1 4.47Å; F93-F130 HydrophobicContact CD1-CE1 4.45Å; F93-F130 AromaticContact CE1-CD1 3.91Å; F93-F130 HydrophobicContact CE1-CD1 3.91Å; F93-F130 HydrophobicContact CE1-CE1 4.02Å; F93-Y170 PolarHBondContact N-O 2.94Å; F93-Y170 PolarHBondContact O-N 3.13Å; F93-F314 HydrophobicContact CD2-CE1 4.33Å; F93-F314 HydrophobicContact CE2-CE1 4.22Å; F93-F325 HydrophobicContact CD2-CD1 4.22Å; F93-F325 AromaticContact CE2-CD1 3.96Å; F93-F325 HydrophobicContact CE2-CD1 3.96Å; F93-F325 HydrophobicContact CE2-CE1 4.43Å; F93-N327 WeakPolarHBondContact CA-O 3.48Å; F93-I328 HydrophobicContact CB-CB 4.42Å; F93-I328 HydrophobicContact CB-CG1 4.01Å |
| 94 | T | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.8 | 173.3 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | T167 H168 L169 F325 D326 N327 W345 | T94-T167 HydrophobicContact CG2-CG2 4.24Å; T94-H168 CarbonylContact C-O 3.54Å; T94-H168 VanDerWaalsContact CA-O 3.23Å; T94-H168 WeakPolarHBondContact CA-O 3.42Å; T94-L169 HydrophobicContact CG2-CB 4.34Å; T94-L169 HydrophobicContact CG2-CD1 3.63Å; T94-F325 WeakPolarHBondContact O-CA 3.3Å; T94-D326 PolarHBondContact N-O 2.79Å; T94-D326 PolarHBondContact O-N 3.37Å; T94-D326 VanDerWaalsContact O-N 3.16Å; T94-D326 VanDerWaalsContact OG1-C 3.26Å; T94-D326 PolarHBondContact OG1-O 2.69Å; T94-N327 HydrophobicContact CG2-CB 4.12Å; T94-N327 PolarHBondContact OG1-ND2 3.39Å; T94-N327 VanDerWaalsContact OG1-ND2 3.15Å; T94-W345 HydrophobicContact CG2-CB 3.87Å; T94-W345 HydrophobicContact CG2-CG 4.03Å |
| 95 | V | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131.1 | 171.2 | -180 | 0 | 0 | 0 | 0 | 108.9 | F93 F97 A106 P132 T167 H168 Y170 I324 F325 | F93-V95 HydrophobicContact CD2-CG2 3.9Å; F93-V95 HydrophobicContact CE2-CG2 3.31Å; F93-V95 HydrophobicContact CZ-CG2 3.98Å; V95-F97 HydrophobicContact CG1-CD1 4.4Å; V95-F97 HydrophobicContact CG1-CE1 3.9Å; V95-F97 HydrophobicContact CG1-CE2 4.1Å; V95-F97 HydrophobicContact CG1-CZ 3.73Å; V95-A106 HydrophobicContact CG1-CB 3.84Å; V95-A106 HydrophobicContact CG2-CB 4.45Å; V95-P132 HydrophobicContact CB-CG 4.46Å; V95-P132 HydrophobicContact CG1-CG 4.43Å; V95-P132 HydrophobicContact CG2-CG 4.03Å; V95-T167 CarbonylContact O-C 3.55Å; V95-T167 WeakPolarHBondContact O-CA 3.49Å; V95-H168 PolarHBondContact N-O 3.21Å; V95-H168 PolarHBondContact O-N 2.88Å; V95-Y170 HydrophobicContact CB-CD2 4.32Å; V95-Y170 HydrophobicContact CB-CE2 4.05Å; V95-Y170 HydrophobicContact CG2-CD2 4.02Å; V95-Y170 HydrophobicContact CG2-CE2 4.14Å; V95-I324 WeakPolarHBondContact CA-O 2.86Å; V95-F325 HydrophobicContact CG1-CE1 4.48Å; V95-F325 HydrophobicContact CG2-CD1 4.04Å; V95-F325 HydrophobicContact CG2-CE1 4.14Å |
| 96 | K | 97.4 | Very high | 97.1 | Very high | 11 Ų | 11 | 21.5 Ų | 21.5 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140 | 164.9 | 176.5 | 175.2 | -177.7 | 163.6 | 0 | 109.7 | T167 S323 I324 E352 | K96-T167 HydrophobicContact CB-CG2 4.29Å; K96-T167 WeakPolarHBondContact CD-OG1 3.4Å; K96-S323 CarbonylContact O-C 3.42Å; K96-S323 WeakPolarHBondContact O-CA 3.45Å; K96-I324 HydrophobicContact CB-CB 4.33Å; K96-I324 PolarHBondContact N-O 2.83Å; K96-I324 PolarHBondContact O-N 2.58Å; K96-E352 WeakPolarHBondContact CE-OE1 3.49Å; K96-E352 IonicContact NZ-OE1 4Å; K96-E352 PolarHBondContact NZ-OE1 2.97Å |
| 97 | F | 97 | Very high | 97.1 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.2 | 171.3 | -60.6 | -64.2 | 0 | 0 | 0 | 110.4 | V95 K99 V101 A106 I134 L165 S323 | V95-F97 HydrophobicContact CG1-CD1 4.4Å; V95-F97 HydrophobicContact CG1-CE1 3.9Å; V95-F97 HydrophobicContact CG1-CE2 4.1Å; V95-F97 HydrophobicContact CG1-CZ 3.73Å; F97-K99 PolarHBondContact O-N 2.75Å; F97-V101 HydrophobicContact CB-CG2 4.12Å; F97-V101 HydrophobicContact CD1-CG2 3.46Å; F97-V101 VanDerWaalsContact CD1-CG2 3.46Å; F97-V101 HydrophobicContact CE1-CG2 3.98Å; F97-V101 HydrophobicContact CG-CG2 3.87Å; F97-A106 HydrophobicContact CE1-CB 3.75Å; F97-A106 HydrophobicContact CZ-CB 3.81Å; F97-I134 HydrophobicContact CD2-CD1 4.49Å; F97-I134 HydrophobicContact CE2-CD1 3.7Å; F97-I134 HydrophobicContact CZ-CD1 3.82Å; F97-L165 HydrophobicContact CB-CD2 4.48Å; F97-S323 WeakPolarHBondContact CD1-OG 3.37Å; F97-S323 WeakPolarHBondContact CE1-OG 3.43Å |
| 98 | D | 94.6 | Very high | 97.2 | Very high | 16 Ų | 16 | 16.9 Ų | 16.9 | 9% | 0.086 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -75.8 | -5.3 | -178.5 | -160.3 | 34.2 | 0 | 0 | 0 | 114 | K52 K64 G322 | K52-D98 WeakPolarHBondContact CA-OD1 3.47Å; K52-D98 WeakPolarHBondContact CB-OD1 3.37Å; K52-D98 WeakPolarHBondContact CG-OD1 3.24Å; K52-D98 WeakPolarHBondContact CG-OD2 3.36Å; K52-D98 PolarHBondContact N-OD1 3.11Å; K52-D98 PolarHBondContact NZ-O 2.71Å; K64-D98 VanDerWaalsContact CE-OD2 3.24Å; K64-D98 WeakPolarHBondContact CE-OD2 3.41Å; K64-D98 IonicContact NZ-OD2 3.34Å; K64-D98 PolarHBondContact NZ-OD2 2.95Å; D98-G322 WeakPolarHBondContact CB-O 3.34Å; D98-G322 PolarHBondContact N-O 2.96Å |
| 99 | K | 94.9 | Very high | 97.2 | Very high | 47 Ų | 47 | 15.6 Ų | 15.6 | 20% | 0.204 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -160.3 | 163.1 | 172.5 | 55.4 | 167.4 | 177.1 | 158.5 | 0 | 108.8 | D68 F97 V101 D320 S321 | D68-K99 WeakPolarHBondContact OD1-CE 3.46Å; D68-K99 IonicContact OD1-NZ 3.66Å; D68-K99 PolarHBondContact OD1-NZ 2.6Å; D68-K99 IonicContact OD2-NZ 3Å; D68-K99 PolarHBondContact OD2-NZ 2.8Å; F97-K99 PolarHBondContact O-N 2.75Å; K99-V101 PolarHBondContact O-N 2.92Å; K99-D320 IonicContact NZ-OD1 2.96Å; K99-D320 PolarHBondContact NZ-OD1 2.77Å; K99-S321 WeakPolarHBondContact CE-O 3.29Å |
| 100 | T | 94.5 | Very high | 97.2 | Very high | 107 Ų | 107 | 15.6 Ų | 15.6 | 66% | 0.656 | 9% | 0.09 | S | C | * | . | trans | -58.9 | 129 | 174.4 | -53.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 101 | V | 94.2 | Very high | 97.2 | Very high | 14 Ų | 14 | 15.6 Ų | 15.6 | 9% | 0.085 | 9% | 0.09 | C | C | . | . | trans | -97.7 | 119.8 | -178.6 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | F97 K99 I134 D320 | F97-V101 HydrophobicContact CB-CG2 4.12Å; F97-V101 HydrophobicContact CD1-CG2 3.46Å; F97-V101 VanDerWaalsContact CD1-CG2 3.46Å; F97-V101 HydrophobicContact CE1-CG2 3.98Å; F97-V101 HydrophobicContact CG-CG2 3.87Å; K99-V101 PolarHBondContact O-N 2.92Å; V101-I134 HydrophobicContact CG1-CB 4.32Å; V101-I134 HydrophobicContact CG1-CG2 4.36Å; V101-D320 HydrophobicContact CG1-CB 4.38Å; V101-D320 HydrophobicContact CG2-CB 4.43Å | ||
| 102 | S | 95.3 | Very high | 97.2 | Very high | 66 Ų | 66 | 15.7 Ų | 15.7 | 46% | 0.462 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -81.9 | -40.4 | 171.9 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | G136 D320 | S102-G136 PolarHBondContact O-N 3.48Å; S102-D320 WeakPolarHBondContact CA-OD2 3.14Å; S102-D320 VanDerWaalsContact CB-OD2 3.23Å; S102-D320 WeakPolarHBondContact CB-OD2 3.45Å; S102-D320 PolarHBondContact N-OD2 3.5Å; S102-D320 PolarHBondContact OG-OD2 2.91Å |
| 103 | C | 96.6 | Very high | 97.1 | Very high | 19 Ų | 19 | 17.6 Ų | 17.6 | 13% | 0.128 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 126.4 | 172.1 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | I134 C135 V319 D320 | C103-I134 CarbonylContact C-O 3.6Å; C103-I134 WeakPolarHBondContact CA-O 3.28Å; C103-C135 HydrophobicContact CB-CB 3.93Å; C103-C135 WeakPolarHBondContact CB-SG 3.49Å; C103-C135 WeakPolarHBondContact SG-CB 3.38Å; C103-C135 CovalentContact SG-SG 2.06Å; C103-C135 PolarHBondContact SG-SG 3.22Å; C103-V319 HydrophobicContact CB-CB 4.2Å; C103-V319 HydrophobicContact CB-CG2 3.82Å; C103-V319 VanDerWaalsContact O-CB 3.3Å; C103-V319 WeakPolarHBondContact O-CB 3.33Å; C103-V319 PolarHBondContact O-N 2.95Å; C103-D320 PolarHBondContact O-N 2.85Å |
| 104 | G | 95.9 | Very high | 97 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | 137.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I134 W317 | G104-I134 PolarHBondContact N-O 3.17Å; G104-I134 PolarHBondContact O-N 2.85Å; G104-W317 WeakPolarHBondContact CA-O 3.48Å |
| 105 | G | 96.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 147.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D133 W317 Q318 | G105-D133 WeakPolarHBondContact CA-OD1 3.46Å; G105-W317 PolarHBondContact N-O 3.38Å; G105-W317 VanDerWaalsContact N-O 3.15Å; G105-Q318 PolarHBondContact O-NE2 2.85Å |
| 106 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -140.3 | 41.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | V95 F97 P132 F325 | V95-A106 HydrophobicContact CG1-CB 3.84Å; V95-A106 HydrophobicContact CG2-CB 4.45Å; F97-A106 HydrophobicContact CE1-CB 3.75Å; F97-A106 HydrophobicContact CZ-CB 3.81Å; A106-P132 CarbonylContact C-O 3.57Å; A106-P132 VanDerWaalsContact C-O 3.29Å; A106-P132 WeakPolarHBondContact CA-O 3.29Å; A106-P132 HydrophobicContact CB-CG 3.9Å; A106-P132 PolarHBondContact N-O 2.97Å; A106-P132 VanDerWaalsContact O-CD 3.31Å; A106-P132 WeakPolarHBondContact O-CD 3.45Å; A106-F325 HydrophobicContact CB-CE1 3.73Å; A106-F325 HydrophobicContact CB-CZ 4.02Å | ||
| 107 | Y | 98.7 | Very high | 96.9 | Very high | 30 Ų | 30 | 27.9 Ų | 27.9 | 12% | 0.118 | 16% | 0.161 | C | C | . | . | trans | -100.3 | 152.8 | 179.4 | 51.8 | -101.8 | 0 | 0 | 0 | 112.3 | K109 M129 F130 P132 D133 F314 D315 L316 | Y107-K109 HydrophobicContact CD2-CG 4.44Å; Y107-M129 HydrophobicContact CD1-SD 4.17Å; Y107-M129 HydrophobicContact CD2-CE 4.2Å; Y107-M129 HydrophobicContact CD2-CG 3.35Å; Y107-M129 HydrophobicContact CD2-SD 3.66Å; Y107-M129 HydrophobicContact CE1-SD 4.16Å; Y107-M129 HydrophobicContact CE2-CE 3.67Å; Y107-M129 HydrophobicContact CE2-CG 3.86Å; Y107-M129 HydrophobicContact CE2-SD 3.64Å; Y107-M129 HydrophobicContact CG-CG 3.74Å; Y107-M129 HydrophobicContact CG-SD 3.91Å; Y107-F130 CarbonylContact C-O 3.58Å; Y107-F130 VanDerWaalsContact CA-O 3.31Å; Y107-F130 WeakPolarHBondContact CA-O 3.5Å; Y107-F130 WeakPolarHBondContact CB-O 3.45Å; Y107-P132 PolarHBondContact N-O 3.4Å; Y107-D133 HydrophobicContact CD1-CB 4.48Å; Y107-F314 WeakPolarHBondContact O-CD1 3.3Å; Y107-D315 WeakPolarHBondContact CE2-O 3.37Å; Y107-D315 VanDerWaalsContact CZ-O 3.31Å; Y107-D315 PolarHBondContact OH-O 2.85Å; Y107-L316 HydrophobicContact CD1-CD2 4.4Å; Y107-L316 HydrophobicContact CD2-CD2 4.01Å; Y107-L316 HydrophobicContact CE1-CD2 4.34Å; Y107-L316 HydrophobicContact CE2-CD2 3.94Å; Y107-L316 HydrophobicContact CG-CD2 4.25Å; Y107-L316 WeakPolarHBondContact O-CD2 3.35Å | ||
| 108 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 149.5 | 173.8 | -163.1 | 168.7 | 0 | 0 | 0 | 110.1 | L91 F93 M129 F130 V312 F314 I328 | L91-I108 HydrophobicContact CD1-CD1 4.48Å; L91-I108 HydrophobicContact CD1-CG2 4.21Å; L91-I108 HydrophobicContact CD2-CG2 3.85Å; L91-I108 HydrophobicContact CG-CG2 4.19Å; F93-I108 HydrophobicContact CD1-CG2 3.87Å; F93-I108 HydrophobicContact CE1-CB 4.27Å; F93-I108 HydrophobicContact CE1-CG2 3.63Å; F93-I108 HydrophobicContact CE2-CB 4.35Å; F93-I108 HydrophobicContact CG-CG2 4.48Å; F93-I108 HydrophobicContact CZ-CB 4.18Å; F93-I108 HydrophobicContact CZ-CG2 4.01Å; I108-M129 WeakPolarHBondContact O-CA 3.49Å; I108-F130 WeakPolarHBondContact CG2-O 3.27Å; I108-F130 PolarHBondContact N-O 3.43Å; I108-F130 PolarHBondContact O-N 3.36Å; I108-V312 HydrophobicContact CD1-CG2 3.35Å; I108-V312 HydrophobicContact CG1-CG2 3.65Å; I108-F314 HydrophobicContact CB-CD1 4.25Å; I108-F314 HydrophobicContact CB-CE1 3.7Å; I108-F314 HydrophobicContact CB-CZ 4.18Å; I108-F314 HydrophobicContact CD1-CE1 4.04Å; I108-F314 HydrophobicContact CD1-CE2 4.27Å; I108-F314 HydrophobicContact CD1-CZ 3.62Å; I108-F314 HydrophobicContact CG1-CD1 4.31Å; I108-F314 HydrophobicContact CG1-CE1 3.74Å; I108-F314 HydrophobicContact CG1-CE2 4.33Å; I108-F314 HydrophobicContact CG1-CZ 3.75Å; I108-I328 HydrophobicContact CD1-CD1 4.26Å; I108-I328 HydrophobicContact CD1-CG1 4.34Å; I108-I328 HydrophobicContact CD1-CG2 3.63Å |
| 109 | K | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 139 | 173.2 | -60.3 | -166.6 | -165.2 | -178.3 | 0 | 111.5 | Y107 L111 F120 Y126 I128 M129 V312 G313 D315 | Y107-K109 HydrophobicContact CD2-CG 4.44Å; K109-L111 HydrophobicContact CB-CD2 3.86Å; K109-L111 HydrophobicContact CB-CG 4.31Å; K109-L111 HydrophobicContact CD-CD2 4.39Å; K109-F120 HydrophobicContact CB-CZ 4.44Å; K109-F120 HydrophobicContact CD-CE2 4.31Å; K109-F120 HydrophobicContact CD-CZ 4.05Å; K109-Y126 HydrophobicContact CD-CD1 3.81Å; K109-Y126 HydrophobicContact CD-CE1 4.46Å; K109-Y126 HydrophobicContact CD-CG 3.93Å; K109-I128 CarbonylContact C-O 3.53Å; K109-I128 VanDerWaalsContact CA-O 3.25Å; K109-I128 WeakPolarHBondContact CA-O 3.18Å; K109-M129 HydrophobicContact CD-CE 4.31Å; K109-M129 HydrophobicContact CG-CB 4.17Å; K109-M129 HydrophobicContact CG-CG 4.09Å; K109-V312 WeakPolarHBondContact O-CA 3.16Å; K109-G313 PolarHBondContact N-O 2.91Å; K109-G313 PolarHBondContact O-N 2.83Å; K109-D315 VanDerWaalsContact CE-OD2 3.31Å; K109-D315 WeakPolarHBondContact CE-OD2 3.4Å; K109-D315 IonicContact NZ-OD2 3.51Å; K109-D315 PolarHBondContact NZ-OD2 2.79Å |
| 110 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130.9 | 162.4 | -60.5 | -172.6 | 0 | 0 | 0 | 108.8 | M89 L91 Y126 K127 I128 I309 V312 I330 | M89-L110 HydrophobicContact CE-CD1 3.99Å; M89-L110 HydrophobicContact SD-CD1 3.92Å; L91-L110 HydrophobicContact CD1-CD2 4.1Å; L91-L110 HydrophobicContact CD2-CD1 4.14Å; L91-L110 HydrophobicContact CD2-CD2 4.31Å; L91-L110 HydrophobicContact CD2-CG 4Å; L110-Y126 CarbonylContact O-C 3.47Å; L110-K127 HydrophobicContact CB-CB 4.4Å; L110-K127 PolarHBondContact O-N 3.11Å; L110-I128 PolarHBondContact N-O 2.95Å; L110-I309 HydrophobicContact CB-CG2 4.13Å; L110-I309 HydrophobicContact CD1-CD1 4.26Å; L110-I309 HydrophobicContact CD1-CG2 4.37Å; L110-I309 HydrophobicContact CD2-CG2 4.43Å; L110-V312 HydrophobicContact CD2-CB 4.38Å; L110-V312 HydrophobicContact CD2-CG2 4.19Å; L110-I330 HydrophobicContact CD2-CD1 3.52Å |
| 111 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 156.2 | -168.1 | -53.5 | 169.9 | 0 | 0 | 0 | 111 | A75 K109 I115 F120 G310 Y311 | A75-L111 HydrophobicContact CB-CD1 4.17Å; K109-L111 HydrophobicContact CB-CD2 3.86Å; K109-L111 HydrophobicContact CB-CG 4.31Å; K109-L111 HydrophobicContact CD-CD2 4.39Å; L111-I115 HydrophobicContact CB-CD1 4.43Å; L111-I115 HydrophobicContact CB-CG1 4.21Å; L111-I115 HydrophobicContact CD1-CD1 3.8Å; L111-I115 HydrophobicContact CD1-CG1 4.45Å; L111-F120 HydrophobicContact CD1-CD1 4.4Å; L111-F120 HydrophobicContact CD1-CD2 4.12Å; L111-F120 HydrophobicContact CD1-CE1 4.03Å; L111-F120 HydrophobicContact CD1-CE2 3.77Å; L111-F120 HydrophobicContact CD1-CG 4.45Å; L111-F120 HydrophobicContact CD1-CZ 3.71Å; L111-F120 HydrophobicContact CD2-CE2 3.69Å; L111-F120 HydrophobicContact CD2-CZ 4Å; L111-F120 HydrophobicContact CG-CE2 4.39Å; L111-F120 HydrophobicContact CG-CZ 4.42Å; L111-G310 PolarHBondContact O-N 2.88Å; L111-Y311 PolarHBondContact N-O 3.34Å; L111-Y311 PolarHBondContact O-N 2.77Å |
| 112 | G | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | -70 | 163.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D114 I115 D308 Y311 | G112-D114 WeakPolarHBondContact CA-OD1 3.24Å; G112-D114 PolarHBondContact O-N 2.63Å; G112-I115 VanDerWaalsContact O-CG1 3.3Å; G112-I115 WeakPolarHBondContact O-CG1 3.42Å; G112-D308 WeakPolarHBondContact CA-O 3.2Å; G112-Y311 WeakPolarHBondContact O-CD2 3.39Å | ||
| 113 | S | 97.9 | Very high | 97.4 | Very high | 42 Ų | 42 | 39.3 Ų | 39.3 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13.8 | 174.7 | -65.7 | 0 | 0 | 0 | 0 | 113.3 | P81 D308 G310 | P81-S113 WeakPolarHBondContact CB-OG 3.42Å; P81-S113 VanDerWaalsContact CG-OG 3.31Å; P81-S113 WeakPolarHBondContact CG-OG 3.25Å; S113-D308 VanDerWaalsContact CB-OD1 3.26Å; S113-D308 WeakPolarHBondContact CB-OD1 3.49Å; S113-D308 WeakPolarHBondContact CB-OD2 3.35Å; S113-D308 PolarHBondContact N-OD2 3.3Å; S113-D308 PolarHBondContact OG-OD1 3.33Å; S113-G310 WeakPolarHBondContact OG-CA 3.12Å |
| 114 | D | 95.4 | Very high | 97.4 | Very high | 124 Ų | 124 | 39 Ų | 39 | 66% | 0.663 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -7.3 | -174.5 | 61.8 | -34.4 | 0 | 0 | 0 | 114.4 | G112 | G112-D114 WeakPolarHBondContact CA-OD1 3.24Å; G112-D114 PolarHBondContact O-N 2.63Å |
| 115 | I | 96.4 | Very high | 97.4 | Very high | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.108 | 23% | 0.231 | C | C | . | . | trans | -75.3 | 145.9 | 179.9 | 65.6 | 115.4 | 0 | 0 | 0 | 112.4 | A75 L111 G112 P117 Y311 | A75-I115 HydrophobicContact CB-CD1 4.42Å; L111-I115 HydrophobicContact CB-CD1 4.43Å; L111-I115 HydrophobicContact CB-CG1 4.21Å; L111-I115 HydrophobicContact CD1-CD1 3.8Å; L111-I115 HydrophobicContact CD1-CG1 4.45Å; G112-I115 VanDerWaalsContact O-CG1 3.3Å; G112-I115 WeakPolarHBondContact O-CG1 3.42Å; I115-P117 HydrophobicContact CD1-CB 4.22Å; I115-P117 WeakPolarHBondContact O-CD 3.28Å; I115-Y311 HydrophobicContact CD1-CD1 4.28Å; I115-Y311 HydrophobicContact CD1-CD2 4.1Å; I115-Y311 HydrophobicContact CD1-CG 3.98Å; I115-Y311 HydrophobicContact CG1-CD2 3.8Å; I115-Y311 HydrophobicContact CG1-CE2 4.2Å; I115-Y311 HydrophobicContact CG1-CG 4.18Å | ||
| 116 | D | 97.9 | Very high | 97.5 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | trans | -91.8 | 107.5 | 164.5 | 178.7 | -1.7 | 0 | 0 | 0 | 108.6 | K118 K119 F120 | D116-K118 PolarHBondContact O-N 3.43Å; D116-K118 VanDerWaalsContact O-N 3.15Å; D116-K118 WeakPolarHBondContact OD1-CB 3.27Å; D116-K118 PolarHBondContact OD1-N 2.78Å; D116-K119 HydrophobicContact CB-CB 4.26Å; D116-K119 HydrophobicContact CB-CD 4.33Å; D116-K119 HydrophobicContact CB-CG 4.41Å; D116-K119 CarbonylContact O-C 3.59Å; D116-K119 PolarHBondContact O-N 2.83Å; D116-K119 VanDerWaalsContact OD2-CD 3.28Å; D116-K119 WeakPolarHBondContact OD2-CD 3.12Å; D116-K119 VanDerWaalsContact OD2-CE 3.25Å; D116-K119 WeakPolarHBondContact OD2-CE 3.37Å; D116-K119 WeakPolarHBondContact OD2-CG 3.36Å; D116-K119 IonicContact OD2-NZ 3.14Å; D116-F120 PolarHBondContact O-N 2.76Å | ||
| 117 | P | 97.9 | Very high | 97.5 | Very high | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.104 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -64.1 | -22 | -175.8 | 27.4 | -36.3 | 0 | 0 | 0 | 113.1 | V34 A75 I115 K119 F120 Y311 | V34-P117 HydrophobicContact CB-CB 3.93Å; V34-P117 HydrophobicContact CB-CG 4.1Å; V34-P117 HydrophobicContact CG1-CB 3.98Å; V34-P117 HydrophobicContact CG1-CG 3.98Å; V34-P117 HydrophobicContact CG2-CG 4.35Å; A75-P117 HydrophobicContact CB-CB 3.92Å; I115-P117 HydrophobicContact CD1-CB 4.22Å; I115-P117 WeakPolarHBondContact O-CD 3.28Å; P117-K119 PolarHBondContact O-N 3.33Å; P117-F120 WeakPolarHBondContact O-CB 3.38Å; P117-F120 PolarHBondContact O-N 3.47Å; P117-Y311 HydrophobicContact CB-CE1 4.43Å; P117-Y311 HydrophobicContact CG-CE1 4.15Å |
| 118 | K | 98.1 | Very high | 97.5 | Very high | 128 Ų | 128 | 44.5 Ų | 44.5 | 56% | 0.557 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -73 | -16.4 | 174 | -68.1 | -171 | 175.7 | -175 | 0 | 113.3 | V34 S36 T37 D116 | V34-K118 HydrophobicContact CG1-CG 3.7Å; S36-K118 PolarHBondContact OG-O 3.08Å; T37-K118 PolarHBondContact N-O 3.22Å; T37-K118 PolarHBondContact OG1-O 2.88Å; D116-K118 PolarHBondContact O-N 3.43Å; D116-K118 VanDerWaalsContact O-N 3.15Å; D116-K118 WeakPolarHBondContact OD1-CB 3.27Å; D116-K118 PolarHBondContact OD1-N 2.78Å |
| 119 | K | 98.1 | Very high | 97.5 | Very high | 129 Ų | 129 | 45.3 Ų | 45.3 | 56% | 0.561 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -112.7 | 12 | 178.3 | -62 | 178.4 | -172.9 | 168.7 | 0 | 112.3 | Y38 D116 P117 H121 | Y38-K119 HydrophobicContact CD2-CB 4.34Å; D116-K119 HydrophobicContact CB-CB 4.26Å; D116-K119 HydrophobicContact CB-CD 4.33Å; D116-K119 HydrophobicContact CB-CG 4.41Å; D116-K119 CarbonylContact O-C 3.59Å; D116-K119 PolarHBondContact O-N 2.83Å; D116-K119 VanDerWaalsContact OD2-CD 3.28Å; D116-K119 WeakPolarHBondContact OD2-CD 3.12Å; D116-K119 VanDerWaalsContact OD2-CE 3.25Å; D116-K119 WeakPolarHBondContact OD2-CE 3.37Å; D116-K119 WeakPolarHBondContact OD2-CG 3.36Å; D116-K119 IonicContact OD2-NZ 3.14Å; P117-K119 PolarHBondContact O-N 3.33Å; K119-H121 PolarHBondContact O-N 3.02Å; K119-H121 PolarHBondContact O-ND1 3.2Å |
| 120 | F | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | trans | -66.1 | 130.7 | -178.8 | 179.5 | -138.4 | 0 | 0 | 0 | 111.4 | S36 A75 K109 L111 D116 P117 F314 D315 | S36-F120 WeakPolarHBondContact CB-O 3.48Å; S36-F120 PolarHBondContact OG-N 3.27Å; S36-F120 PolarHBondContact OG-O 3.46Å; A75-F120 HydrophobicContact CB-CD1 4.15Å; K109-F120 HydrophobicContact CB-CZ 4.44Å; K109-F120 HydrophobicContact CD-CE2 4.31Å; K109-F120 HydrophobicContact CD-CZ 4.05Å; L111-F120 HydrophobicContact CD1-CD1 4.4Å; L111-F120 HydrophobicContact CD1-CD2 4.12Å; L111-F120 HydrophobicContact CD1-CE1 4.03Å; L111-F120 HydrophobicContact CD1-CE2 3.77Å; L111-F120 HydrophobicContact CD1-CG 4.45Å; L111-F120 HydrophobicContact CD1-CZ 3.71Å; L111-F120 HydrophobicContact CD2-CE2 3.69Å; L111-F120 HydrophobicContact CD2-CZ 4Å; L111-F120 HydrophobicContact CG-CE2 4.39Å; L111-F120 HydrophobicContact CG-CZ 4.42Å; D116-F120 PolarHBondContact O-N 2.76Å; P117-F120 WeakPolarHBondContact O-CB 3.38Å; P117-F120 PolarHBondContact O-N 3.47Å; F120-F314 WeakPolarHBondContact CE1-O 3.43Å; F120-D315 HydrophobicContact CD1-CB 4.42Å; F120-D315 HydrophobicContact CE1-CB 3.72Å; F120-D315 HydrophobicContact CE2-CB 3.88Å; F120-D315 HydrophobicContact CZ-CB 3.39Å | ||
| 121 | H | 97 | Very high | 97.5 | Very high | 28 Ų | 28 | 45.2 Ų | 45.2 | 13% | 0.13 | 24% | 0.24 | C | C | . | . | trans | -163 | -177.6 | -174.4 | 68.9 | -76.4 | 0 | 0 | 0 | 111.7 | Y38 K119 E123 S124 D315 | Y38-H121 HydrophobicContact CD1-CB 3.35Å; Y38-H121 AromaticContact CD1-CG 3.54Å; Y38-H121 AromaticContact CD2-ND1 3.85Å; Y38-H121 HydrophobicContact CE1-CB 3.76Å; Y38-H121 AromaticContact CE1-CD2 3.49Å; Y38-H121 VanDerWaalsContact CE1-CD2 3.49Å; Y38-H121 WeakPolarHBondContact CE1-CD2 3.45Å; Y38-H121 AromaticContact CE1-CG 3.46Å; Y38-H121 VanDerWaalsContact CE1-CG 3.46Å; Y38-H121 AromaticContact CE1-ND1 3.96Å; Y38-H121 AromaticContact CE2-CE1 3.87Å; Y38-H121 AromaticContact CE2-ND1 3.78Å; Y38-H121 HydrophobicContact CG-CB 3.77Å; Y38-H121 AromaticContact CG-CG 3.91Å; Y38-H121 AromaticContact CG-ND1 3.98Å; Y38-H121 AromaticContact CZ-CD2 3.7Å; Y38-H121 AromaticContact CZ-CE1 3.8Å; Y38-H121 AromaticContact CZ-CG 3.77Å; Y38-H121 AromaticContact CZ-ND1 3.82Å; Y38-H121 AromaticContact CZ-NE2 3.74Å; K119-H121 PolarHBondContact O-N 3.02Å; K119-H121 PolarHBondContact O-ND1 3.2Å; H121-E123 VanDerWaalsContact C-N 3.31Å; H121-E123 PolarHBondContact CD2-N 2.87Å; H121-E123 WeakPolarHBondContact NE2-CB 3.33Å; H121-E123 PolarHBondContact O-N 3.13Å; H121-E123 VanDerWaalsContact O-N 3.13Å; H121-S124 PolarHBondContact CE1-OG 2.84Å; H121-S124 PolarHBondContact N-OG 3.22Å; H121-S124 PolarHBondContact ND1-OG 2.91Å; H121-S124 WeakPolarHBondContact O-CB 3.3Å; H121-S124 PolarHBondContact O-N 3.4Å; H121-S124 PolarHBondContact O-OG 2.88Å; H121-S124 VanDerWaalsContact O-OG 3.09Å; H121-D315 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 122 | G | 94.5 | Very high | 97.5 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 45% | 0.454 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44 | -45.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | D315 | G122-D315 WeakPolarHBondContact CA-OD1 3.18Å; G122-D315 WeakPolarHBondContact CA-OD2 3.3Å; G122-D315 PolarHBondContact N-OD1 3.29Å; G122-D315 PolarHBondContact N-OD2 2.78Å |
| 123 | E | 95.5 | Very high | 97.5 | Very high | 167 Ų | 167 | 46.6 Ų | 46.6 | 78% | 0.78 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1.2 | -174.8 | -46.6 | -177.1 | 151.7 | 0 | 0 | 112.8 | H121 | H121-E123 VanDerWaalsContact C-N 3.31Å; H121-E123 PolarHBondContact CD2-N 2.87Å; H121-E123 WeakPolarHBondContact NE2-CB 3.33Å; H121-E123 PolarHBondContact O-N 3.13Å; H121-E123 VanDerWaalsContact O-N 3.13Å |
| 124 | S | 97.2 | Very high | 97.4 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -60.7 | 133.5 | 177 | -63.3 | 0 | 0 | 0 | 0 | 110.4 | H121 Y126 | H121-S124 PolarHBondContact CE1-OG 2.84Å; H121-S124 PolarHBondContact N-OG 3.22Å; H121-S124 PolarHBondContact ND1-OG 2.91Å; H121-S124 WeakPolarHBondContact O-CB 3.3Å; H121-S124 PolarHBondContact O-N 3.4Å; H121-S124 PolarHBondContact O-OG 2.88Å; H121-S124 VanDerWaalsContact O-OG 3.09Å; S124-Y126 PolarHBondContact O-N 3.23Å |
| 125 | P | 96.6 | Very high | 97.4 | Very high | 85 Ų | 85 | 41.2 Ų | 41.2 | 55% | 0.552 | 22% | 0.218 | S | C | * | . | trans | -57.2 | 137.1 | 177.1 | -24.7 | 33.8 | 0 | 0 | 0 | 111.9 | ||||
| 126 | Y | 98 | Very high | 97.2 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | trans | -135.2 | 164.8 | 175 | 59.5 | -94.4 | 0 | 0 | 0 | 110 | K109 L110 S124 M129 I145 N147 N152 | K109-Y126 HydrophobicContact CD-CD1 3.81Å; K109-Y126 HydrophobicContact CD-CE1 4.46Å; K109-Y126 HydrophobicContact CD-CG 3.93Å; L110-Y126 CarbonylContact O-C 3.47Å; S124-Y126 PolarHBondContact O-N 3.23Å; Y126-M129 HydrophobicContact CD2-CB 4.05Å; Y126-M129 HydrophobicContact CE1-CE 4.04Å; Y126-M129 HydrophobicContact CE2-CB 3.66Å; Y126-I145 HydrophobicContact CE2-CB 4.31Å; Y126-I145 HydrophobicContact CE2-CG2 4.11Å; Y126-I145 WeakPolarHBondContact OH-CG2 3.35Å; Y126-N147 WeakPolarHBondContact O-CB 3.24Å; Y126-N152 WeakPolarHBondContact CE1-ND2 3.31Å; Y126-N152 VanDerWaalsContact CZ-CG 3.48Å; Y126-N152 VanDerWaalsContact OH-CG 3.25Å; Y126-N152 PolarHBondContact OH-ND2 2.81Å | ||
| 127 | K | 98.2 | Very high | 96.8 | Very high | 50 Ų | 50 | 47.8 Ų | 47.8 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -94.7 | -47.8 | 177.6 | -51 | -63.4 | 176 | 160.4 | 0 | 110.4 | L110 N147 L306 N307 D308 I309 | L110-K127 HydrophobicContact CB-CB 4.4Å; L110-K127 PolarHBondContact O-N 3.11Å; K127-N147 PolarHBondContact O-N 3.39Å; K127-L306 HydrophobicContact CB-CD1 4.44Å; K127-L306 HydrophobicContact CB-CD2 4.28Å; K127-N307 WeakPolarHBondContact CE-O 3.32Å; K127-N307 PolarHBondContact NZ-O 3.44Å; K127-D308 VanDerWaalsContact CE-O 3.31Å; K127-D308 WeakPolarHBondContact CE-O 3.41Å; K127-I309 HydrophobicContact CG-CG1 4.47Å |
| 128 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 143.4 | 173.7 | -72.6 | -172 | 0 | 0 | 0 | 109.4 | M89 L91 K109 L110 F130 I145 F146 L172 V174 L306 | M89-I128 HydrophobicContact CE-CD1 3.75Å; L91-I128 HydrophobicContact CD2-CG2 4.42Å; K109-I128 CarbonylContact C-O 3.53Å; K109-I128 VanDerWaalsContact CA-O 3.25Å; K109-I128 WeakPolarHBondContact CA-O 3.18Å; L110-I128 PolarHBondContact N-O 2.95Å; I128-F130 HydrophobicContact CG2-CB 3.95Å; I128-I145 CarbonylContact C-O 3.55Å; I128-I145 VanDerWaalsContact CA-O 3.25Å; I128-I145 WeakPolarHBondContact CA-O 3.27Å; I128-F146 HydrophobicContact CD1-CD1 3.72Å; I128-F146 HydrophobicContact CD1-CE1 3.3Å; I128-F146 HydrophobicContact CD1-CZ 3.91Å; I128-F146 HydrophobicContact CG1-CD1 3.68Å; I128-F146 HydrophobicContact CG1-CE1 3.83Å; I128-F146 HydrophobicContact CG1-CG 4.36Å; I128-L172 HydrophobicContact CD1-CD2 4.05Å; I128-L172 HydrophobicContact CG2-CD2 4.02Å; I128-V174 HydrophobicContact CD1-CG2 4.41Å; I128-L306 HydrophobicContact CD1-CD1 3.53Å; I128-L306 HydrophobicContact CG1-CD1 3.72Å; I128-L306 HydrophobicContact CG1-CD2 4.23Å |
| 129 | M | 98.6 | Very high | 96 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.2 | 158.5 | -178.7 | -161.1 | -71.5 | 0 | 0 | 108 | Y107 I108 K109 Y126 I145 | Y107-M129 HydrophobicContact CD1-SD 4.17Å; Y107-M129 HydrophobicContact CD2-CE 4.2Å; Y107-M129 HydrophobicContact CD2-CG 3.35Å; Y107-M129 HydrophobicContact CD2-SD 3.66Å; Y107-M129 HydrophobicContact CE1-SD 4.16Å; Y107-M129 HydrophobicContact CE2-CE 3.67Å; Y107-M129 HydrophobicContact CE2-CG 3.86Å; Y107-M129 HydrophobicContact CE2-SD 3.64Å; Y107-M129 HydrophobicContact CG-CG 3.74Å; Y107-M129 HydrophobicContact CG-SD 3.91Å; I108-M129 WeakPolarHBondContact O-CA 3.49Å; K109-M129 HydrophobicContact CD-CE 4.31Å; K109-M129 HydrophobicContact CG-CB 4.17Å; K109-M129 HydrophobicContact CG-CG 4.09Å; Y126-M129 HydrophobicContact CD2-CB 4.05Å; Y126-M129 HydrophobicContact CE1-CE 4.04Å; Y126-M129 HydrophobicContact CE2-CB 3.66Å; M129-I145 HydrophobicContact CB-CB 4.14Å; M129-I145 HydrophobicContact CB-CD1 4.48Å; M129-I145 HydrophobicContact CB-CG1 4.44Å; M129-I145 HydrophobicContact CE-CD1 4.45Å; M129-I145 PolarHBondContact N-O 2.91Å; M129-I145 PolarHBondContact O-N 3.11Å; M129-I145 HydrophobicContact SD-CD1 3.65Å; M129-I145 HydrophobicContact SD-CG1 4.44Å |
| 130 | F | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 133.1 | -176.1 | 171.3 | -121.4 | 0 | 0 | 0 | 111.5 | L91 F93 Y107 I108 I128 V142 H143 V144 T171 L172 V182 | L91-F130 HydrophobicContact CD2-CB 4.07Å; L91-F130 HydrophobicContact CD2-CD1 4.11Å; L91-F130 HydrophobicContact CG-CD1 4.19Å; F93-F130 HydrophobicContact CD1-CD1 4.47Å; F93-F130 HydrophobicContact CD1-CE1 4.45Å; F93-F130 AromaticContact CE1-CD1 3.91Å; F93-F130 HydrophobicContact CE1-CD1 3.91Å; F93-F130 HydrophobicContact CE1-CE1 4.02Å; Y107-F130 CarbonylContact C-O 3.58Å; Y107-F130 VanDerWaalsContact CA-O 3.31Å; Y107-F130 WeakPolarHBondContact CA-O 3.5Å; Y107-F130 WeakPolarHBondContact CB-O 3.45Å; I108-F130 WeakPolarHBondContact CG2-O 3.27Å; I108-F130 PolarHBondContact N-O 3.43Å; I108-F130 PolarHBondContact O-N 3.36Å; I128-F130 HydrophobicContact CG2-CB 3.95Å; F130-V142 HydrophobicContact CD2-CG1 4.13Å; F130-V142 HydrophobicContact CE2-CG1 3.62Å; F130-V142 HydrophobicContact CZ-CG1 4.47Å; F130-H143 VanDerWaalsContact CA-O 3.31Å; F130-H143 WeakPolarHBondContact CA-O 3.44Å; F130-H143 WeakPolarHBondContact CD2-O 3.49Å; F130-V144 HydrophobicContact CD2-CG2 3.98Å; F130-V144 HydrophobicContact CE2-CG2 4.25Å; F130-T171 VanDerWaalsContact CZ-C 3.4Å; F130-L172 HydrophobicContact CB-CD2 4.11Å; F130-L172 HydrophobicContact CD1-CB 3.68Å; F130-L172 HydrophobicContact CD2-CB 3.91Å; F130-L172 HydrophobicContact CD2-CD2 4.24Å; F130-L172 HydrophobicContact CE1-CB 3.64Å; F130-L172 HydrophobicContact CE2-CB 3.87Å; F130-L172 HydrophobicContact CG-CB 3.82Å; F130-L172 HydrophobicContact CG-CD2 4.05Å; F130-L172 HydrophobicContact CZ-CB 3.74Å; F130-V182 HydrophobicContact CE2-CG1 3.98Å; F130-V182 HydrophobicContact CZ-CG1 4.31Å |
| 131 | G | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.7 | 179 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V142 H143 | G131-V142 WeakPolarHBondContact O-CA 3.34Å; G131-H143 PolarHBondContact N-O 3.35Å; G131-H143 PolarHBondContact O-N 2.87Å |
| 132 | P | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 148.5 | -175.2 | 28.3 | -36.6 | 0 | 0 | 0 | 113.3 | V95 A106 Y107 C161 Y170 | V95-P132 HydrophobicContact CB-CG 4.46Å; V95-P132 HydrophobicContact CG1-CG 4.43Å; V95-P132 HydrophobicContact CG2-CG 4.03Å; A106-P132 CarbonylContact C-O 3.57Å; A106-P132 VanDerWaalsContact C-O 3.29Å; A106-P132 WeakPolarHBondContact CA-O 3.29Å; A106-P132 HydrophobicContact CB-CG 3.9Å; A106-P132 PolarHBondContact N-O 2.97Å; A106-P132 VanDerWaalsContact O-CD 3.31Å; A106-P132 WeakPolarHBondContact O-CD 3.45Å; Y107-P132 PolarHBondContact N-O 3.4Å; P132-C161 HydrophobicContact CB-CB 3.71Å; P132-Y170 HydrophobicContact CB-CE1 4.22Å; P132-Y170 HydrophobicContact CB-CE2 4.48Å; P132-Y170 HydrophobicContact CG-CD2 4.3Å; P132-Y170 HydrophobicContact CG-CE1 4.18Å; P132-Y170 HydrophobicContact CG-CE2 3.75Å |
| 133 | D | 97.7 | Very high | 96 | Very high | 31 Ų | 31 | 46.7 Ų | 46.7 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 126.2 | 170.4 | -177.4 | 27.4 | 0 | 0 | 0 | 109.1 | G105 Y107 T139 K141 H143 | G105-D133 WeakPolarHBondContact CA-OD1 3.46Å; Y107-D133 HydrophobicContact CD1-CB 4.48Å; D133-T139 HydrophobicContact CB-CG2 4.43Å; D133-K141 PolarHBondContact N-O 3.13Å; D133-K141 PolarHBondContact O-N 2.8Å; D133-K141 VanDerWaalsContact O-N 3.16Å; D133-H143 WeakPolarHBondContact CB-CD2 3.4Å; D133-H143 WeakPolarHBondContact CB-NE2 3.38Å; D133-H143 IonicContact OD2-CD2 2.96Å; D133-H143 IonicContact OD2-CE1 3.54Å; D133-H143 IonicContact OD2-NE2 2.71Å; D133-H143 PolarHBondContact OD2-NE2 3.02Å |
| 134 | I | 97.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.2 | -176.5 | -62.9 | 168.6 | 0 | 0 | 0 | 106.7 | F97 V101 C103 G104 T139 D163 | F97-I134 HydrophobicContact CD2-CD1 4.49Å; F97-I134 HydrophobicContact CE2-CD1 3.7Å; F97-I134 HydrophobicContact CZ-CD1 3.82Å; V101-I134 HydrophobicContact CG1-CB 4.32Å; V101-I134 HydrophobicContact CG1-CG2 4.36Å; C103-I134 CarbonylContact C-O 3.6Å; C103-I134 WeakPolarHBondContact CA-O 3.28Å; G104-I134 PolarHBondContact N-O 3.17Å; G104-I134 PolarHBondContact O-N 2.85Å; I134-T139 CarbonylContact C-O 3.58Å; I134-T139 WeakPolarHBondContact CA-O 3.43Å; I134-D163 HydrophobicContact CD1-CB 3.65Å; I134-D163 HydrophobicContact CG1-CB 4.41Å |
| 135 | C | 95.3 | Very high | 96.2 | Very high | 48 Ų | 48 | 38.6 Ų | 38.6 | 32% | 0.324 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 99.2 | 169.6 | -158.8 | 0 | 0 | 0 | 0 | 110.3 | C103 T139 | C103-C135 HydrophobicContact CB-CB 3.93Å; C103-C135 WeakPolarHBondContact CB-SG 3.49Å; C103-C135 WeakPolarHBondContact SG-CB 3.38Å; C103-C135 CovalentContact SG-SG 2.06Å; C103-C135 PolarHBondContact SG-SG 3.22Å; C135-T139 PolarHBondContact N-O 2.72Å; C135-T139 PolarHBondContact O-N 3.41Å; C135-T139 VanDerWaalsContact O-N 3.16Å |
| 136 | G | 92.2 | Very high | 96.3 | Very high | 41 Ų | 41 | 34.7 Ų | 34.7 | 42% | 0.423 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -148.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S102 K140 | S102-G136 PolarHBondContact O-N 3.48Å; G136-K140 WeakPolarHBondContact O-CE 3.24Å |
| 137 | M | 88 | Confident | 96.3 | Very high | 189 Ų | 189 | 36.1 Ų | 36.1 | 93% | 0.931 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -12.9 | 174.1 | -64.2 | -173.9 | -69.8 | 0 | 0 | 112.9 | ||
| 138 | A | 88.3 | Confident | 96.2 | Very high | 98 Ų | 98 | 35 Ų | 35 | 81% | 0.81 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -33.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 139 | T | 90.8 | Very high | 95.9 | Very high | 38 Ų | 38 | 43.2 Ų | 43.2 | 23% | 0.233 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 108.2 | 179.7 | -54.7 | 0 | 0 | 0 | 0 | 108.9 | D133 I134 C135 K141 | D133-T139 HydrophobicContact CB-CG2 4.43Å; I134-T139 CarbonylContact C-O 3.58Å; I134-T139 WeakPolarHBondContact CA-O 3.43Å; C135-T139 PolarHBondContact N-O 2.72Å; C135-T139 PolarHBondContact O-N 3.41Å; C135-T139 VanDerWaalsContact O-N 3.16Å; T139-K141 HydrophobicContact CG2-CG 4.24Å |
| 140 | K | 94.9 | Very high | 95.6 | Very high | 91 Ų | 91 | 45.7 Ų | 45.7 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 74.6 | 168.9 | -70 | -168.8 | 178.5 | -171 | 0 | 108.8 | G136 D163 | G136-K140 WeakPolarHBondContact O-CE 3.24Å; K140-D163 WeakPolarHBondContact CE-OD2 3.26Å; K140-D163 IonicContact NZ-OD2 2.77Å; K140-D163 PolarHBondContact NZ-OD2 3.11Å |
| 141 | K | 97.2 | Very high | 95.5 | Very high | 72 Ų | 72 | 52.1 Ų | 52.1 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 157 | -171.6 | 64.8 | -175.7 | -177.9 | -177.1 | 0 | 113.2 | D133 T139 H143 I159 C161 | D133-K141 PolarHBondContact N-O 3.13Å; D133-K141 PolarHBondContact O-N 2.8Å; D133-K141 VanDerWaalsContact O-N 3.16Å; T139-K141 HydrophobicContact CG2-CG 4.24Å; K141-H143 WeakPolarHBondContact CE-CE1 3.27Å; K141-I159 CarbonylContact C-O 3.54Å; K141-I159 WeakPolarHBondContact CA-O 3.38Å; K141-I159 VanDerWaalsContact CB-O 3.28Å; K141-I159 WeakPolarHBondContact CB-O 3.22Å; K141-C161 PolarHBondContact N-SG 2.81Å; K141-C161 VanDerWaalsContact N-SG 3.39Å |
| 142 | V | 98.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 116.4 | 167.3 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | F130 G131 I159 C161 Y170 V182 | F130-V142 HydrophobicContact CD2-CG1 4.13Å; F130-V142 HydrophobicContact CE2-CG1 3.62Å; F130-V142 HydrophobicContact CZ-CG1 4.47Å; G131-V142 WeakPolarHBondContact O-CA 3.34Å; V142-I159 HydrophobicContact CB-CB 4.06Å; V142-I159 HydrophobicContact CB-CG2 3.85Å; V142-I159 HydrophobicContact CG2-CG2 4.06Å; V142-I159 PolarHBondContact N-O 2.75Å; V142-C161 HydrophobicContact CG2-CB 3.77Å; V142-Y170 HydrophobicContact CG1-CD1 4.39Å; V142-Y170 HydrophobicContact CG2-CD1 4.04Å; V142-Y170 HydrophobicContact CG2-CE1 3.61Å; V142-V182 HydrophobicContact CG1-CG1 4.47Å |
| 143 | H | 98.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 56 Ų | 56 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 140.6 | 171.5 | -71.6 | -75.4 | 0 | 0 | 0 | 110.1 | F130 G131 D133 K141 I145 | F130-H143 VanDerWaalsContact CA-O 3.31Å; F130-H143 WeakPolarHBondContact CA-O 3.44Å; F130-H143 WeakPolarHBondContact CD2-O 3.49Å; G131-H143 PolarHBondContact N-O 3.35Å; G131-H143 PolarHBondContact O-N 2.87Å; D133-H143 WeakPolarHBondContact CB-CD2 3.4Å; D133-H143 WeakPolarHBondContact CB-NE2 3.38Å; D133-H143 IonicContact OD2-CD2 2.96Å; D133-H143 IonicContact OD2-CE1 3.54Å; D133-H143 IonicContact OD2-NE2 2.71Å; D133-H143 PolarHBondContact OD2-NE2 3.02Å; K141-H143 WeakPolarHBondContact CE-CE1 3.27Å; H143-I145 HydrophobicContact CB-CD1 4.31Å; H143-I145 HydrophobicContact CB-CG1 4.11Å |
| 144 | V | 98.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 100.6 | 164.5 | -169.7 | 0 | 0 | 0 | 0 | 106.5 | F130 F146 I155 I159 L172 V182 W198 | F130-V144 HydrophobicContact CD2-CG2 3.98Å; F130-V144 HydrophobicContact CE2-CG2 4.25Å; V144-F146 HydrophobicContact CG1-CD2 4.33Å; V144-F146 HydrophobicContact CG1-CE2 3.65Å; V144-F146 HydrophobicContact CG1-CZ 4.37Å; V144-I155 HydrophobicContact CB-CB 4.33Å; V144-I155 HydrophobicContact CB-CD1 4.43Å; V144-I155 HydrophobicContact CB-CG2 4.27Å; V144-I155 HydrophobicContact CG2-CD1 4.49Å; V144-I155 PolarHBondContact O-N 2.75Å; V144-I159 HydrophobicContact CG2-CD1 4.04Å; V144-L172 HydrophobicContact CG1-CD1 3.82Å; V144-L172 HydrophobicContact CG1-CD2 3.96Å; V144-V182 HydrophobicContact CG2-CG2 3.85Å; V144-W198 HydrophobicContact CB-CZ2 3.86Å; V144-W198 HydrophobicContact CG1-CH2 4.24Å; V144-W198 HydrophobicContact CG1-CZ2 3.6Å; V144-W198 PolarHBondContact O-NE1 3.34Å |
| 145 | I | 98.4 | Very high | 95.5 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 5% | 0.051 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.5 | -174.2 | -45.4 | -176.3 | 0 | 0 | 0 | 108.5 | Y126 I128 M129 H143 N152 H153 L154 | Y126-I145 HydrophobicContact CE2-CB 4.31Å; Y126-I145 HydrophobicContact CE2-CG2 4.11Å; Y126-I145 WeakPolarHBondContact OH-CG2 3.35Å; I128-I145 CarbonylContact C-O 3.55Å; I128-I145 VanDerWaalsContact CA-O 3.25Å; I128-I145 WeakPolarHBondContact CA-O 3.27Å; M129-I145 HydrophobicContact CB-CB 4.14Å; M129-I145 HydrophobicContact CB-CD1 4.48Å; M129-I145 HydrophobicContact CB-CG1 4.44Å; M129-I145 HydrophobicContact CE-CD1 4.45Å; M129-I145 PolarHBondContact N-O 2.91Å; M129-I145 PolarHBondContact O-N 3.11Å; M129-I145 HydrophobicContact SD-CD1 3.65Å; M129-I145 HydrophobicContact SD-CG1 4.44Å; H143-I145 HydrophobicContact CB-CD1 4.31Å; H143-I145 HydrophobicContact CB-CG1 4.11Å; I145-N152 HydrophobicContact CG2-CB 3.98Å; I145-H153 WeakPolarHBondContact CA-O 3.24Å; I145-H153 VanDerWaalsContact CG2-O 3.24Å; I145-H153 WeakPolarHBondContact CG2-O 3.37Å; I145-L154 HydrophobicContact CD1-CD1 4.17Å; I145-L154 HydrophobicContact CD1-CG 3.89Å; I145-L154 HydrophobicContact CG1-CG 4.09Å; I145-L154 HydrophobicContact CG2-CD1 4.18Å; I145-L154 HydrophobicContact CG2-CG 4.49Å |
| 146 | F | 98.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.009 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 139.6 | 174.2 | -70.5 | -97.2 | 0 | 0 | 0 | 109.8 | I128 V144 H153 V174 L194 W198 M200 L306 | I128-F146 HydrophobicContact CD1-CD1 3.72Å; I128-F146 HydrophobicContact CD1-CE1 3.3Å; I128-F146 HydrophobicContact CD1-CZ 3.91Å; I128-F146 HydrophobicContact CG1-CD1 3.68Å; I128-F146 HydrophobicContact CG1-CE1 3.83Å; I128-F146 HydrophobicContact CG1-CG 4.36Å; V144-F146 HydrophobicContact CG1-CD2 4.33Å; V144-F146 HydrophobicContact CG1-CE2 3.65Å; V144-F146 HydrophobicContact CG1-CZ 4.37Å; F146-H153 PolarHBondContact N-O 3.17Å; F146-H153 VanDerWaalsContact N-O 3.11Å; F146-H153 PolarHBondContact O-N 2.87Å; F146-V174 HydrophobicContact CE1-CG1 4.35Å; F146-V174 HydrophobicContact CE1-CG2 4.07Å; F146-V174 HydrophobicContact CZ-CG2 3.82Å; F146-L194 HydrophobicContact CD2-CD2 4.23Å; F146-L194 HydrophobicContact CE1-CD1 4.49Å; F146-L194 HydrophobicContact CE1-CD2 4.18Å; F146-L194 HydrophobicContact CE2-CD2 3.55Å; F146-L194 HydrophobicContact CZ-CD2 3.54Å; F146-W198 HydrophobicContact CD2-CD2 4.28Å; F146-W198 AromaticContact CD2-CE2 3.64Å; F146-W198 AromaticContact CD2-CZ2 3.79Å; F146-W198 HydrophobicContact CD2-CZ2 3.79Å; F146-W198 AromaticContact CD2-NE1 3.7Å; F146-W198 AromaticContact CE2-CE2 3.86Å; F146-W198 AromaticContact CE2-CH2 3.9Å; F146-W198 HydrophobicContact CE2-CH2 3.9Å; F146-W198 AromaticContact CE2-CZ2 3.51Å; F146-W198 HydrophobicContact CE2-CZ2 3.51Å; F146-M200 HydrophobicContact CB-CE 3.42Å; F146-M200 VanDerWaalsContact CB-CE 3.42Å; F146-M200 HydrophobicContact CB-SD 4.42Å; F146-M200 HydrophobicContact CD2-CE 3.78Å; F146-M200 HydrophobicContact CG-CE 3.69Å; F146-L306 HydrophobicContact CD1-CD2 4.38Å |
| 147 | N | 97.4 | Very high | 95.9 | Very high | 44 Ų | 44 | 63.7 Ų | 63.7 | 24% | 0.235 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.5 | 164.4 | -172.8 | -79.2 | 0 | 0 | 0 | 109.7 | Y126 K127 G150 K151 N152 | Y126-N147 WeakPolarHBondContact O-CB 3.24Å; K127-N147 PolarHBondContact O-N 3.39Å; N147-G150 PolarHBondContact OD1-N 3.01Å; N147-K151 CarbonylContact C-O 3.44Å; N147-K151 WeakPolarHBondContact CA-O 3.25Å; N147-N152 PolarHBondContact ND2-OD1 2.7Å |
| 148 | Y | 96.1 | Very high | 96.2 | Very high | 28 Ų | 28 | 62.9 Ų | 62.9 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 125.2 | 175.7 | -178.4 | -106.3 | 0 | 0 | 0 | 109.3 | G150 K151 M200 L201 D300 L303 | Y148-G150 PolarHBondContact O-N 3.08Å; Y148-G150 VanDerWaalsContact O-N 3.13Å; Y148-K151 PolarHBondContact N-O 3.05Å; Y148-K151 PolarHBondContact O-N 2.91Å; Y148-M200 HydrophobicContact CD1-CB 3.82Å; Y148-M200 WeakPolarHBondContact CD1-O 3.33Å; Y148-M200 HydrophobicContact CE1-CB 4.31Å; Y148-M200 VanDerWaalsContact CE1-O 3.24Å; Y148-M200 WeakPolarHBondContact CE1-O 3.46Å; Y148-M200 HydrophobicContact CG-CB 4.16Å; Y148-M200 HydrophobicContact CG-CG 4.46Å; Y148-M200 HydrophobicContact CG-SD 4.26Å; Y148-L201 HydrophobicContact CE1-CD2 4.1Å; Y148-D300 PolarHBondContact OH-OD2 3.03Å; Y148-L303 HydrophobicContact CD2-CD2 4.05Å; Y148-L303 HydrophobicContact CE1-CD2 4.27Å; Y148-L303 HydrophobicContact CE2-CD2 3.6Å |
| 149 | K | 92.8 | Very high | 96.7 | Very high | 172 Ų | 172 | 58.3 Ų | 58.3 | 75% | 0.748 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 38.5 | -178.4 | -65.8 | 175.9 | 174.3 | 155.2 | 0 | 113.7 | K151 | K149-K151 VanDerWaalsContact C-N 3.31Å; K149-K151 PolarHBondContact O-N 2.83Å |
| 150 | G | 92.6 | Very high | 96.9 | Very high | 68 Ų | 68 | 61.1 Ų | 61.1 | 70% | 0.701 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 1.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | N147 Y148 | N147-G150 PolarHBondContact OD1-N 3.01Å; Y148-G150 PolarHBondContact O-N 3.08Å; Y148-G150 VanDerWaalsContact O-N 3.13Å |
| 151 | K | 96.7 | Very high | 96.9 | Very high | 135 Ų | 135 | 57.6 Ų | 57.6 | 59% | 0.587 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 140.7 | 174.5 | -175.8 | 176.5 | 176.3 | -173.2 | 0 | 110.4 | N147 Y148 K149 H153 | N147-K151 CarbonylContact C-O 3.44Å; N147-K151 WeakPolarHBondContact CA-O 3.25Å; Y148-K151 PolarHBondContact N-O 3.05Å; Y148-K151 PolarHBondContact O-N 2.91Å; K149-K151 VanDerWaalsContact C-N 3.31Å; K149-K151 PolarHBondContact O-N 2.83Å; K151-H153 PolarHBondContact O-CD2 2.84Å |
| 152 | N | 97.7 | Very high | 96.8 | Very high | 64 Ų | 64 | 58.3 Ų | 58.3 | 34% | 0.342 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.5 | 173 | -61.5 | -28.2 | 0 | 0 | 0 | 109.3 | Y126 I145 N147 | Y126-N152 WeakPolarHBondContact CE1-ND2 3.31Å; Y126-N152 VanDerWaalsContact CZ-CG 3.48Å; Y126-N152 VanDerWaalsContact OH-CG 3.25Å; Y126-N152 PolarHBondContact OH-ND2 2.81Å; I145-N152 HydrophobicContact CG2-CB 3.98Å; N147-N152 PolarHBondContact ND2-OD1 2.7Å |
| 153 | H | 98.1 | Very high | 96.6 | Very high | 17 Ų | 17 | 61.7 Ų | 61.7 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 118.9 | 179.1 | -63.5 | -95.2 | 0 | 0 | 0 | 109 | I145 F146 K151 W198 D199 M200 | I145-H153 WeakPolarHBondContact CA-O 3.24Å; I145-H153 VanDerWaalsContact CG2-O 3.24Å; I145-H153 WeakPolarHBondContact CG2-O 3.37Å; F146-H153 PolarHBondContact N-O 3.17Å; F146-H153 VanDerWaalsContact N-O 3.11Å; F146-H153 PolarHBondContact O-N 2.87Å; K151-H153 PolarHBondContact O-CD2 2.84Å; H153-W198 HydrophobicContact CB-CB 4.4Å; H153-W198 PolarHBondContact O-NE1 2.82Å; H153-D199 PolarHBondContact CE1-O 3Å; H153-D199 PolarHBondContact ND1-O 3.07Å; H153-M200 HydrophobicContact CB-CG 4.13Å |
| 154 | L | 97.8 | Very high | 96.4 | Very high | 93 Ų | 93 | 62.9 Ų | 62.9 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 147.8 | 174.9 | -73.5 | 67.4 | 0 | 0 | 0 | 109.2 | I145 | I145-L154 HydrophobicContact CD1-CD1 4.17Å; I145-L154 HydrophobicContact CD1-CG 3.89Å; I145-L154 HydrophobicContact CG1-CG 4.09Å; I145-L154 HydrophobicContact CG2-CD1 4.18Å; I145-L154 HydrophobicContact CG2-CG 4.49Å |
| 155 | I | 98.2 | Very high | 96.3 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | trans | -61.3 | 139.5 | 170.8 | -169 | 173.8 | 0 | 0 | 0 | 110.2 | V144 K157 I159 Y180 D197 W198 | V144-I155 HydrophobicContact CB-CB 4.33Å; V144-I155 HydrophobicContact CB-CD1 4.43Å; V144-I155 HydrophobicContact CB-CG2 4.27Å; V144-I155 HydrophobicContact CG2-CD1 4.49Å; V144-I155 PolarHBondContact O-N 2.75Å; I155-K157 HydrophobicContact CD1-CB 4.23Å; I155-K157 HydrophobicContact CG1-CB 4.23Å; I155-I159 HydrophobicContact CD1-CD1 3.84Å; I155-I159 HydrophobicContact CD1-CG1 4.48Å; I155-Y180 HydrophobicContact CD1-CE2 4.06Å; I155-D197 HydrophobicContact CG1-CB 4.42Å; I155-W198 VanDerWaalsContact CA-NE1 3.32Å; I155-W198 HydrophobicContact CB-CD2 4.45Å; I155-W198 HydrophobicContact CB-CH2 4.33Å; I155-W198 HydrophobicContact CB-CZ2 3.52Å; I155-W198 HydrophobicContact CD1-CH2 3.72Å; I155-W198 HydrophobicContact CD1-CZ2 3.72Å; I155-W198 HydrophobicContact CG1-CD2 4.45Å; I155-W198 HydrophobicContact CG1-CH2 3.87Å; I155-W198 HydrophobicContact CG1-CZ2 3.57Å; I155-W198 HydrophobicContact CG1-CZ3 4.41Å | ||
| 156 | K | 97.7 | Very high | 96.2 | Very high | 105 Ų | 105 | 67.1 Ų | 67.1 | 46% | 0.457 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -72.7 | -31.2 | 177.6 | -68.8 | 170.4 | -174 | 172.2 | 0 | 112.9 | D196 D197 D199 | K156-D196 WeakPolarHBondContact CD-O 3.47Å; K156-D196 PolarHBondContact NZ-O 3.09Å; K156-D197 WeakPolarHBondContact CB-O 3.31Å; K156-D197 VanDerWaalsContact CG-O 3.28Å; K156-D197 WeakPolarHBondContact CG-O 3.44Å; K156-D197 PolarHBondContact N-O 2.79Å; K156-D199 WeakPolarHBondContact CE-OD1 3.36Å; K156-D199 VanDerWaalsContact CE-OD2 3.27Å; K156-D199 WeakPolarHBondContact CE-OD2 2.96Å; K156-D199 IonicContact NZ-OD1 2.61Å; K156-D199 PolarHBondContact NZ-OD1 3.24Å |
| 157 | K | 97.1 | Very high | 96.1 | Very high | 66 Ų | 66 | 67 Ų | 67 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -79.7 | 148.4 | -178.2 | -61.9 | -176.4 | 176.4 | 158 | 0 | 111.1 | I155 E190 E191 D197 | I155-K157 HydrophobicContact CD1-CB 4.23Å; I155-K157 HydrophobicContact CG1-CB 4.23Å; K157-E190 HydrophobicContact CD-CG 4.07Å; K157-E190 WeakPolarHBondContact CD-OE1 3.26Å; K157-E190 VanDerWaalsContact CD-OE2 3.24Å; K157-E190 WeakPolarHBondContact CD-OE2 3.31Å; K157-E190 IonicContact NZ-OE1 2.72Å; K157-E190 PolarHBondContact NZ-OE1 3.22Å; K157-E191 PolarHBondContact NZ-O 2.86Å; K157-D197 VanDerWaalsContact CE-CG 3.45Å; K157-D197 WeakPolarHBondContact CE-OD1 3.32Å; K157-D197 VanDerWaalsContact CE-OD2 3.27Å; K157-D197 WeakPolarHBondContact CE-OD2 3.31Å; K157-D197 IonicContact NZ-OD1 3.89Å; K157-D197 IonicContact NZ-OD2 2.67Å; K157-D197 PolarHBondContact NZ-OD2 3.38Å |
| 158 | E | 95.9 | Very high | 96.2 | Very high | 171 Ų | 171 | 65.1 Ų | 65.1 | 80% | 0.799 | 33% | 0.334 | S | S | * | . | trans | -95.3 | 111.3 | 174.5 | -65.4 | -171.7 | 167.6 | 0 | 0 | 110.1 | ||||
| 159 | I | 97.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.015 | 33% | 0.329 | C | S | . | . | trans | -101.3 | 115 | 177.6 | -54.8 | 176.6 | 0 | 0 | 0 | 108 | K141 V142 V144 I155 V182 V189 E190 | K141-I159 CarbonylContact C-O 3.54Å; K141-I159 WeakPolarHBondContact CA-O 3.38Å; K141-I159 VanDerWaalsContact CB-O 3.28Å; K141-I159 WeakPolarHBondContact CB-O 3.22Å; V142-I159 HydrophobicContact CB-CB 4.06Å; V142-I159 HydrophobicContact CB-CG2 3.85Å; V142-I159 HydrophobicContact CG2-CG2 4.06Å; V142-I159 PolarHBondContact N-O 2.75Å; V144-I159 HydrophobicContact CG2-CD1 4.04Å; I155-I159 HydrophobicContact CD1-CD1 3.84Å; I155-I159 HydrophobicContact CD1-CG1 4.48Å; I159-V182 HydrophobicContact CD1-CB 4.15Å; I159-V182 HydrophobicContact CD1-CG1 4.26Å; I159-V182 HydrophobicContact CD1-CG2 3.79Å; I159-V182 HydrophobicContact CG2-CG1 4.48Å; I159-V189 HydrophobicContact CG2-CG2 3.92Å; I159-E190 HydrophobicContact CD1-CB 3.81Å; I159-E190 HydrophobicContact CD1-CG 3.9Å; I159-E190 HydrophobicContact CG1-CB 4.05Å; I159-E190 HydrophobicContact CG1-CG 4.11Å | ||
| 160 | P | 95.7 | Very high | 96.6 | Very high | 97 Ų | 97 | 55.7 Ų | 55.7 | 63% | 0.63 | 29% | 0.293 | S | S | * | . | B | Isolated β-bridge | trans | -67.9 | 139.5 | 179.9 | 27.4 | -33.8 | 0 | 0 | 0 | 111.3 | ||
| 161 | C | 94.7 | Very high | 96.9 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 11% | 0.108 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 166.8 | 171.8 | 69.1 | 0 | 0 | 0 | 0 | 112.2 | P132 K141 V142 | P132-C161 HydrophobicContact CB-CB 3.71Å; K141-C161 PolarHBondContact N-SG 2.81Å; K141-C161 VanDerWaalsContact N-SG 3.39Å; V142-C161 HydrophobicContact CG2-CB 3.77Å |
| 162 | K | 95.2 | Very high | 97 | Very high | 88 Ų | 88 | 46.2 Ų | 46.2 | 38% | 0.383 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -90.7 | 133 | 170.4 | -57 | -71.5 | -172 | 178.1 | 0 | 109.3 | H168 Y170 V184 | K162-H168 HydrophobicContact CB-CB 4.41Å; K162-H168 WeakPolarHBondContact CB-CD2 2.99Å; K162-H168 WeakPolarHBondContact CB-NE2 3.23Å; K162-H168 HydrophobicContact CG-CB 4.5Å; K162-Y170 PolarHBondContact N-OH 2.78Å; K162-V184 HydrophobicContact CG-CG1 3.99Å |
| 163 | D | 93.3 | Very high | 97.1 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | trans | -123.2 | 12.2 | -174.7 | 66 | -23.5 | 0 | 0 | 0 | 113.5 | I134 K140 | I134-D163 HydrophobicContact CD1-CB 3.65Å; I134-D163 HydrophobicContact CG1-CB 4.41Å; K140-D163 WeakPolarHBondContact CE-OD2 3.26Å; K140-D163 IonicContact NZ-OD2 2.77Å; K140-D163 PolarHBondContact NZ-OD2 3.11Å | ||
| 164 | D | 94.7 | Very high | 97.1 | Very high | 46 Ų | 46 | 42.8 Ų | 42.8 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -84.5 | -177.9 | 173.7 | 73 | 50.5 | 0 | 0 | 0 | 112.2 | K166 H168 | D164-K166 WeakPolarHBondContact OD1-CA 3.36Å; D164-K166 WeakPolarHBondContact OD1-CB 3.45Å; D164-K166 WeakPolarHBondContact OD1-CE 3.36Å; D164-K166 PolarHBondContact OD1-N 2.6Å; D164-K166 IonicContact OD1-NZ 2.78Å; D164-K166 PolarHBondContact OD1-NZ 3.08Å; D164-K166 WeakPolarHBondContact OD2-CE 3.4Å; D164-K166 IonicContact OD2-NZ 3.45Å; D164-K166 PolarHBondContact OD2-NZ 3.06Å; D164-H168 IonicContact OD1-CD2 3.59Å; D164-H168 IonicContact OD1-NE2 3.61Å; D164-H168 PolarHBondContact OD1-NE2 2.9Å; D164-H168 VanDerWaalsContact OD1-NE2 3.14Å; D164-H168 IonicContact OD2-NE2 3.8Å |
| 165 | L | 95.4 | Very high | 97.1 | Very high | 83 Ų | 83 | 39.6 Ų | 39.6 | 44% | 0.435 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -90.9 | 1.9 | -174.6 | -54 | -175.7 | 0 | 0 | 0 | 114 | F97 | F97-L165 HydrophobicContact CB-CD2 4.48Š|
| 166 | K | 96.4 | Very high | 97.1 | Very high | 17 Ų | 17 | 40.8 Ų | 40.8 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -78.5 | 163 | 177.3 | -62.9 | 178.5 | -72.7 | -66.5 | 0 | 110 | D164 H168 Y349 E352 V353 E356 | D164-K166 WeakPolarHBondContact OD1-CA 3.36Å; D164-K166 WeakPolarHBondContact OD1-CB 3.45Å; D164-K166 WeakPolarHBondContact OD1-CE 3.36Å; D164-K166 PolarHBondContact OD1-N 2.6Å; D164-K166 IonicContact OD1-NZ 2.78Å; D164-K166 PolarHBondContact OD1-NZ 3.08Å; D164-K166 WeakPolarHBondContact OD2-CE 3.4Å; D164-K166 IonicContact OD2-NZ 3.45Å; D164-K166 PolarHBondContact OD2-NZ 3.06Å; K166-H168 PolarHBondContact O-CD2 2.86Å; K166-Y349 HydrophobicContact CB-CD2 4.25Å; K166-Y349 HydrophobicContact CB-CE2 4.11Å; K166-Y349 HydrophobicContact CD-CE2 3.97Å; K166-E352 HydrophobicContact CG-CB 4.06Å; K166-V353 HydrophobicContact CD-CG2 3.64Å; K166-E356 IonicContact NZ-OE1 2.79Å; K166-E356 PolarHBondContact NZ-OE1 3.02Å; K166-E356 IonicContact NZ-OE2 2.76Å; K166-E356 PolarHBondContact NZ-OE2 2.93Å |
| 167 | T | 97.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125.8 | 174.2 | -49.4 | 0 | 0 | 0 | 0 | 108.3 | T94 V95 K96 W345 R348 Y349 E352 | T94-T167 HydrophobicContact CG2-CG2 4.24Å; V95-T167 CarbonylContact O-C 3.55Å; V95-T167 WeakPolarHBondContact O-CA 3.49Å; K96-T167 HydrophobicContact CB-CG2 4.29Å; K96-T167 WeakPolarHBondContact CD-OG1 3.4Å; T167-W345 PolarHBondContact O-NE1 3Å; T167-R348 PolarHBondContact OG1-NE 3.03Å; T167-R348 PolarHBondContact OG1-NH2 2.67Å; T167-Y349 VanDerWaalsContact O-CD2 3.23Å; T167-Y349 WeakPolarHBondContact O-CD2 3.36Å; T167-E352 VanDerWaalsContact CB-OE2 3.28Å; T167-E352 WeakPolarHBondContact CB-OE2 3.15Å; T167-E352 PolarHBondContact N-OE2 2.94Å; T167-E352 VanDerWaalsContact OG1-CD 3.28Å; T167-E352 PolarHBondContact OG1-OE1 2.8Å; T167-E352 PolarHBondContact OG1-OE2 3.16Å |
| 168 | H | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 141.8 | 179.3 | -74 | -71.6 | 0 | 0 | 0 | 111.5 | T94 V95 K162 D164 K166 Y170 D185 Y349 | T94-H168 CarbonylContact C-O 3.54Å; T94-H168 VanDerWaalsContact CA-O 3.23Å; T94-H168 WeakPolarHBondContact CA-O 3.42Å; V95-H168 PolarHBondContact N-O 3.21Å; V95-H168 PolarHBondContact O-N 2.88Å; K162-H168 HydrophobicContact CB-CB 4.41Å; K162-H168 WeakPolarHBondContact CB-CD2 2.99Å; K162-H168 WeakPolarHBondContact CB-NE2 3.23Å; K162-H168 HydrophobicContact CG-CB 4.5Å; D164-H168 IonicContact OD1-CD2 3.59Å; D164-H168 IonicContact OD1-NE2 3.61Å; D164-H168 PolarHBondContact OD1-NE2 2.9Å; D164-H168 VanDerWaalsContact OD1-NE2 3.14Å; D164-H168 IonicContact OD2-NE2 3.8Å; K166-H168 PolarHBondContact O-CD2 2.86Å; H168-Y170 HydrophobicContact CB-CD2 4.42Å; H168-Y170 HydrophobicContact CB-CE2 3.69Å; H168-D185 WeakPolarHBondContact CA-OD1 3.26Å; H168-D185 IonicContact CE1-OD2 2.79Å; H168-D185 PolarHBondContact CE1-OD2 3.26Å; H168-D185 IonicContact CG-OD1 3.5Å; H168-D185 VanDerWaalsContact ND1-CG 3.28Å; H168-D185 IonicContact ND1-OD1 3.23Å; H168-D185 PolarHBondContact ND1-OD1 2.89Å; H168-D185 IonicContact ND1-OD2 2.78Å; H168-D185 PolarHBondContact ND1-OD2 2.9Å; H168-Y349 AromaticContact CE1-CE2 3.73Å |
| 169 | L | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 121.7 | 179.5 | -177.5 | 70.3 | 0 | 0 | 0 | 109.7 | Q92 T94 V184 D185 W345 | Q92-L169 HydrophobicContact CG-CD1 3.59Å; Q92-L169 HydrophobicContact CG-CG 4.28Å; T94-L169 HydrophobicContact CG2-CB 4.34Å; T94-L169 HydrophobicContact CG2-CD1 3.63Å; L169-V184 CarbonylContact O-C 3.52Å; L169-V184 VanDerWaalsContact O-CA 3.31Å; L169-V184 WeakPolarHBondContact O-CA 3.3Å; L169-D185 PolarHBondContact N-OD1 2.79Å; L169-D185 VanDerWaalsContact N-OD1 3.07Å; L169-D185 PolarHBondContact O-N 2.84Å; L169-W345 HydrophobicContact CB-CD2 3.63Å; L169-W345 HydrophobicContact CB-CE3 3.97Å; L169-W345 HydrophobicContact CB-CG 3.85Å; L169-W345 HydrophobicContact CB-CZ2 4.49Å; L169-W345 HydrophobicContact CD1-CB 4.46Å; L169-W345 HydrophobicContact CD2-CD2 4.3Å; L169-W345 HydrophobicContact CD2-CE3 3.88Å; L169-W345 HydrophobicContact CD2-CZ3 4.45Å |
| 170 | Y | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.8 | 177.4 | -68.1 | -88.6 | 0 | 0 | 0 | 109.7 | Q92 F93 V95 P132 V142 K162 H168 V184 | Q92-Y170 VanDerWaalsContact CA-O 3.32Å; Q92-Y170 WeakPolarHBondContact CA-O 3.45Å; F93-Y170 PolarHBondContact N-O 2.94Å; F93-Y170 PolarHBondContact O-N 3.13Å; V95-Y170 HydrophobicContact CB-CD2 4.32Å; V95-Y170 HydrophobicContact CB-CE2 4.05Å; V95-Y170 HydrophobicContact CG2-CD2 4.02Å; V95-Y170 HydrophobicContact CG2-CE2 4.14Å; P132-Y170 HydrophobicContact CB-CE1 4.22Å; P132-Y170 HydrophobicContact CB-CE2 4.48Å; P132-Y170 HydrophobicContact CG-CD2 4.3Å; P132-Y170 HydrophobicContact CG-CE1 4.18Å; P132-Y170 HydrophobicContact CG-CE2 3.75Å; V142-Y170 HydrophobicContact CG1-CD1 4.39Å; V142-Y170 HydrophobicContact CG2-CD1 4.04Å; V142-Y170 HydrophobicContact CG2-CE1 3.61Å; K162-Y170 PolarHBondContact N-OH 2.78Å; H168-Y170 HydrophobicContact CB-CD2 4.42Å; H168-Y170 HydrophobicContact CB-CE2 3.69Å; Y170-V184 HydrophobicContact CD1-CG2 3.89Å; Y170-V184 HydrophobicContact CE1-CG1 4.26Å; Y170-V184 HydrophobicContact CE1-CG2 3.89Å |
| 171 | T | 98.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.3 | -179.8 | -52.1 | 0 | 0 | 0 | 0 | 110.9 | V90 L91 Q92 F130 I173 V182 L183 | V90-T171 HydrophobicContact CG1-CG2 3.49Å; V90-T171 VanDerWaalsContact CG1-CG2 3.49Å; L91-T171 WeakPolarHBondContact O-CA 3.4Å; Q92-T171 HydrophobicContact CB-CG2 4.2Å; Q92-T171 WeakPolarHBondContact CG-OG1 3.47Å; Q92-T171 PolarHBondContact OE1-OG1 3.38Å; Q92-T171 VanDerWaalsContact OE1-OG1 3.1Å; F130-T171 VanDerWaalsContact CZ-C 3.4Å; T171-I173 HydrophobicContact CG2-CG1 4.14Å; T171-V182 WeakPolarHBondContact O-CA 3.49Å; T171-L183 PolarHBondContact N-O 3.05Å; T171-L183 PolarHBondContact O-N 2.86Å |
| 172 | L | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.5 | 170.3 | 174.2 | 66.2 | 0 | 0 | 0 | 108.7 | V90 L91 I128 F130 V144 V174 V182 | V90-L172 CarbonylContact C-O 3.59Å; V90-L172 WeakPolarHBondContact CA-O 3.34Å; L91-L172 PolarHBondContact N-O 2.93Å; L91-L172 PolarHBondContact O-N 3.29Å; I128-L172 HydrophobicContact CD1-CD2 4.05Å; I128-L172 HydrophobicContact CG2-CD2 4.02Å; F130-L172 HydrophobicContact CB-CD2 4.11Å; F130-L172 HydrophobicContact CD1-CB 3.68Å; F130-L172 HydrophobicContact CD2-CB 3.91Å; F130-L172 HydrophobicContact CD2-CD2 4.24Å; F130-L172 HydrophobicContact CE1-CB 3.64Å; F130-L172 HydrophobicContact CE2-CB 3.87Å; F130-L172 HydrophobicContact CG-CB 3.82Å; F130-L172 HydrophobicContact CG-CD2 4.05Å; F130-L172 HydrophobicContact CZ-CB 3.74Å; V144-L172 HydrophobicContact CG1-CD1 3.82Å; V144-L172 HydrophobicContact CG1-CD2 3.96Å; L172-V174 HydrophobicContact CD1-CG2 4.28Å; L172-V174 HydrophobicContact CD2-CG2 4.13Å; L172-V174 HydrophobicContact CG-CG2 3.94Å; L172-V182 HydrophobicContact CD1-CG2 3.99Å |
| 173 | I | 98.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 29.3 Ų | 29.3 | 5% | 0.046 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.8 | 174.6 | -54.3 | 174.7 | 0 | 0 | 0 | 107.9 | T88 M89 V90 T171 Y180 E181 L183 P334 | T88-I173 HydrophobicContact CG2-CG2 3.62Å; M89-I173 CarbonylContact O-C 3.5Å; M89-I173 WeakPolarHBondContact O-CA 3.17Å; V90-I173 HydrophobicContact CG1-CG1 4.21Å; V90-I173 HydrophobicContact CG2-CG1 4.3Å; V90-I173 HydrophobicContact CG2-CG2 4.45Å; T171-I173 HydrophobicContact CG2-CG1 4.14Å; I173-Y180 CarbonylContact O-C 3.53Å; I173-Y180 WeakPolarHBondContact O-CA 3.48Å; I173-Y180 WeakPolarHBondContact O-CB 3.31Å; I173-E181 HydrophobicContact CB-CB 4.18Å; I173-E181 HydrophobicContact CD1-CB 4.34Å; I173-E181 PolarHBondContact N-O 3.03Å; I173-E181 PolarHBondContact O-N 3.11Å; I173-L183 HydrophobicContact CD1-CD1 3.69Å; I173-L183 HydrophobicContact CG1-CD1 4.2Å; I173-P334 HydrophobicContact CD1-CB 4.04Å; I173-P334 HydrophobicContact CD1-CG 4.39Å; I173-P334 HydrophobicContact CG2-CG 4.12Å |
| 174 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.4 | 177.9 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | T88 M89 I128 F146 L172 L194 | T88-V174 CarbonylContact C-O 3.48Å; T88-V174 WeakPolarHBondContact CA-O 3.21Å; M89-V174 HydrophobicContact CE-CB 4.49Å; M89-V174 HydrophobicContact CE-CG2 4.3Å; M89-V174 PolarHBondContact N-O 3.03Å; M89-V174 PolarHBondContact O-N 2.91Å; I128-V174 HydrophobicContact CD1-CG2 4.41Å; F146-V174 HydrophobicContact CE1-CG1 4.35Å; F146-V174 HydrophobicContact CE1-CG2 4.07Å; F146-V174 HydrophobicContact CZ-CG2 3.82Å; L172-V174 HydrophobicContact CD1-CG2 4.28Å; L172-V174 HydrophobicContact CD2-CG2 4.13Å; L172-V174 HydrophobicContact CG-CG2 3.94Å; V174-L194 HydrophobicContact CG1-CD1 4.38Å |
| 175 | N | 98.5 | Very high | 98.3 | Very high | 27 Ų | 27 | 25 Ų | 25 | 14% | 0.144 | 13% | 0.128 | C | C | . | . | trans | -102.7 | 154 | -171.4 | -67.4 | -70.8 | 0 | 0 | 0 | 112.8 | T88 N177 N178 K179 Y304 | T88-N175 WeakPolarHBondContact CG2-OD1 3.1Å; T88-N175 PolarHBondContact OG1-OD1 2.78Å; N175-N177 VanDerWaalsContact CB-OD1 3.23Å; N175-N177 WeakPolarHBondContact CB-OD1 3.41Å; N175-N177 PolarHBondContact O-N 2.91Å; N175-N178 PolarHBondContact O-N 3.37Å; N175-N178 VanDerWaalsContact O-N 3.13Å; N175-K179 WeakPolarHBondContact CB-O 3.28Å; N175-K179 PolarHBondContact N-O 2.86Å; N175-K179 PolarHBondContact ND2-O 2.85Å; N175-Y304 WeakPolarHBondContact O-CB 3.38Å | ||
| 176 | P | 98.3 | Very high | 98.4 | Very high | 47 Ų | 47 | 22.1 Ų | 22.1 | 31% | 0.305 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -11.6 | 178.3 | -26.9 | 36 | 0 | 0 | 0 | 116.7 | K87 N178 Y304 | K87-P176 VanDerWaalsContact C-CG 3.43Å; P176-N178 VanDerWaalsContact C-N 3.34Å; P176-Y304 HydrophobicContact CB-CE1 4.29Å; P176-Y304 HydrophobicContact CB-CE2 3.99Å; P176-Y304 HydrophobicContact CG-CE2 4.32Å; P176-Y304 WeakPolarHBondContact O-CD1 3.41Å; P176-Y304 WeakPolarHBondContact O-CE1 3.44Å |
| 177 | N | 97.9 | Very high | 98.5 | Very high | 100 Ų | 100 | 23.9 Ų | 23.9 | 54% | 0.535 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 22.3 | 178.8 | 61.8 | 6.7 | 0 | 0 | 0 | 112.4 | N175 K179 | N175-N177 VanDerWaalsContact CB-OD1 3.23Å; N175-N177 WeakPolarHBondContact CB-OD1 3.41Å; N175-N177 PolarHBondContact O-N 2.91Å; N177-K179 PolarHBondContact O-N 3.46Å; N177-K179 VanDerWaalsContact OD1-CB 3.25Å; N177-K179 WeakPolarHBondContact OD1-CB 3.37Å; N177-K179 WeakPolarHBondContact OD1-CG 3.25Å; N177-K179 PolarHBondContact OD1-N 3.29Å; N177-K179 VanDerWaalsContact OD1-N 3.13Å |
| 178 | N | 98.3 | Very high | 98.5 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 58.7 | 20.6 | -174.8 | -67.3 | -27.3 | 0 | 0 | 0 | 114.5 | N175 P176 S193 L194 D300 L303 Y304 | N175-N178 PolarHBondContact O-N 3.37Å; N175-N178 VanDerWaalsContact O-N 3.13Å; P176-N178 VanDerWaalsContact C-N 3.34Å; N178-S193 CarbonylContact O-C 3.54Å; N178-S193 WeakPolarHBondContact O-CA 3.36Å; N178-L194 HydrophobicContact CB-CB 4.46Å; N178-L194 WeakPolarHBondContact O-CG 3.46Å; N178-L194 PolarHBondContact O-N 2.84Å; N178-D300 PolarHBondContact ND2-O 3.21Å; N178-L303 WeakPolarHBondContact OD1-CB 3.48Å; N178-L303 PolarHBondContact OD1-N 3.3Å; N178-Y304 WeakPolarHBondContact OD1-CD1 3.31Å; N178-Y304 PolarHBondContact OD1-N 3.43Å |
| 179 | K | 98.6 | Very high | 98.5 | Very high | 118 Ų | 118 | 31.8 Ų | 31.8 | 51% | 0.513 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 152.5 | 171.3 | -62.2 | -173.3 | 177 | -172 | 0 | 111.5 | N175 N177 G192 | N175-K179 WeakPolarHBondContact CB-O 3.28Å; N175-K179 PolarHBondContact N-O 2.86Å; N175-K179 PolarHBondContact ND2-O 2.85Å; N177-K179 PolarHBondContact O-N 3.46Å; N177-K179 VanDerWaalsContact OD1-CB 3.25Å; N177-K179 WeakPolarHBondContact OD1-CB 3.37Å; N177-K179 WeakPolarHBondContact OD1-CG 3.25Å; N177-K179 PolarHBondContact OD1-N 3.29Å; N177-K179 VanDerWaalsContact OD1-N 3.13Å; K179-G192 WeakPolarHBondContact CA-O 3.47Å; K179-G192 WeakPolarHBondContact CB-O 3.41Å |
| 180 | Y | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 158.9 | 175.1 | 76.9 | -77.7 | 0 | 0 | 0 | 111.3 | I155 I173 V182 E190 E191 G192 L194 D197 W198 | I155-Y180 HydrophobicContact CD1-CE2 4.06Å; I173-Y180 CarbonylContact O-C 3.53Å; I173-Y180 WeakPolarHBondContact O-CA 3.48Å; I173-Y180 WeakPolarHBondContact O-CB 3.31Å; Y180-V182 HydrophobicContact CD2-CG2 3.98Å; Y180-V182 HydrophobicContact CE2-CG2 4Å; Y180-E190 HydrophobicContact CE2-CG 3.94Å; Y180-E191 WeakPolarHBondContact O-CA 3.43Å; Y180-G192 VanDerWaalsContact CD1-C 3.5Å; Y180-G192 WeakPolarHBondContact CD1-O 3.47Å; Y180-G192 VanDerWaalsContact CE1-CA 3.42Å; Y180-G192 PolarHBondContact N-O 3.07Å; Y180-G192 PolarHBondContact O-N 2.74Å; Y180-G192 VanDerWaalsContact O-N 3.11Å; Y180-L194 HydrophobicContact CD1-CD2 4.21Å; Y180-L194 HydrophobicContact CG-CD2 4.48Å; Y180-D197 HydrophobicContact CE1-CB 4.08Å; Y180-D197 WeakPolarHBondContact CE1-OD2 3.29Å; Y180-D197 VanDerWaalsContact CZ-OD2 3.31Å; Y180-D197 PolarHBondContact OH-OD2 2.89Å; Y180-W198 AromaticContact CD1-CH2 3.71Å; Y180-W198 HydrophobicContact CD1-CH2 3.71Å; Y180-W198 AromaticContact CD1-CZ3 3.5Å; Y180-W198 HydrophobicContact CD1-CZ3 3.5Å; Y180-W198 VanDerWaalsContact CD1-CZ3 3.5Å; Y180-W198 AromaticContact CD2-CH2 3.95Å; Y180-W198 HydrophobicContact CD2-CH2 3.95Å; Y180-W198 AromaticContact CE1-CH2 3.59Å; Y180-W198 HydrophobicContact CE1-CH2 3.59Å; Y180-W198 AromaticContact CE1-CZ3 3.29Å; Y180-W198 HydrophobicContact CE1-CZ3 3.29Å; Y180-W198 AromaticContact CE2-CH2 3.82Å; Y180-W198 HydrophobicContact CE2-CH2 3.82Å; Y180-W198 HydrophobicContact CE2-CZ3 4.38Å; Y180-W198 AromaticContact CG-CH2 3.9Å; Y180-W198 HydrophobicContact CG-CH2 3.9Å; Y180-W198 HydrophobicContact CG-CZ3 4.15Å; Y180-W198 AromaticContact CZ-CH2 3.63Å; Y180-W198 AromaticContact CZ-CZ3 3.77Å |
| 181 | E | 98.7 | Very high | 98.4 | Very high | 57 Ų | 57 | 38.2 Ų | 38.2 | 27% | 0.266 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.9 | 169 | -60.1 | 173.4 | -116.3 | 0 | 0 | 108.7 | I173 L183 K188 E190 E191 | I173-E181 HydrophobicContact CB-CB 4.18Å; I173-E181 HydrophobicContact CD1-CB 4.34Å; I173-E181 PolarHBondContact N-O 3.03Å; I173-E181 PolarHBondContact O-N 3.11Å; E181-L183 HydrophobicContact CB-CD1 3.92Å; E181-K188 HydrophobicContact CB-CD 4.48Å; E181-K188 HydrophobicContact CG-CD 4.25Å; E181-K188 VanDerWaalsContact OE2-CD 3.3Å; E181-K188 WeakPolarHBondContact OE2-CD 3.43Å; E181-E190 WeakPolarHBondContact CA-O 3.13Å; E181-E191 HydrophobicContact CG-CB 4.11Å |
| 182 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.9 | 169.7 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | F130 V142 V144 I159 T171 L172 Y180 V189 E190 | F130-V182 HydrophobicContact CE2-CG1 3.98Å; F130-V182 HydrophobicContact CZ-CG1 4.31Å; V142-V182 HydrophobicContact CG1-CG1 4.47Å; V144-V182 HydrophobicContact CG2-CG2 3.85Å; I159-V182 HydrophobicContact CD1-CB 4.15Å; I159-V182 HydrophobicContact CD1-CG1 4.26Å; I159-V182 HydrophobicContact CD1-CG2 3.79Å; I159-V182 HydrophobicContact CG2-CG1 4.48Å; T171-V182 WeakPolarHBondContact O-CA 3.49Å; L172-V182 HydrophobicContact CD1-CG2 3.99Å; Y180-V182 HydrophobicContact CD2-CG2 3.98Å; Y180-V182 HydrophobicContact CE2-CG2 4Å; V182-V189 HydrophobicContact CB-CG2 4.2Å; V182-V189 HydrophobicContact CG1-CG2 3.93Å; V182-V189 VanDerWaalsContact O-CG2 3.29Å; V182-V189 WeakPolarHBondContact O-CG2 3.35Å; V182-V189 PolarHBondContact O-N 3.19Å; V182-E190 HydrophobicContact CB-CB 4.14Å; V182-E190 HydrophobicContact CG2-CB 4.46Å; V182-E190 PolarHBondContact N-O 3.45Å; V182-E190 PolarHBondContact O-N 3.1Å |
| 183 | L | 98.7 | Very high | 98.4 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.6 | 175.1 | -60.4 | 69.9 | 0 | 0 | 0 | 109.3 | T171 I173 E181 A187 K188 | T171-L183 PolarHBondContact N-O 3.05Å; T171-L183 PolarHBondContact O-N 2.86Å; I173-L183 HydrophobicContact CD1-CD1 3.69Å; I173-L183 HydrophobicContact CG1-CD1 4.2Å; E181-L183 HydrophobicContact CB-CD1 3.92Å; L183-A187 CarbonylContact C-O 3.51Å; L183-A187 WeakPolarHBondContact CA-O 3.47Å; L183-A187 WeakPolarHBondContact CB-O 3.32Å; L183-K188 HydrophobicContact CG-CB 4.37Å |
| 184 | V | 98.5 | Very high | 98.3 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.5 | 167.7 | 178.4 | 0 | 0 | 0 | 0 | 106.6 | K162 L169 Y170 N186 A187 V189 | K162-V184 HydrophobicContact CG-CG1 3.99Å; L169-V184 CarbonylContact O-C 3.52Å; L169-V184 VanDerWaalsContact O-CA 3.31Å; L169-V184 WeakPolarHBondContact O-CA 3.3Å; Y170-V184 HydrophobicContact CD1-CG2 3.89Å; Y170-V184 HydrophobicContact CE1-CG1 4.26Å; Y170-V184 HydrophobicContact CE1-CG2 3.89Å; V184-N186 PolarHBondContact O-N 2.86Å; V184-A187 PolarHBondContact N-O 3.26Å; V184-A187 WeakPolarHBondContact O-CB 3.47Å; V184-A187 PolarHBondContact O-N 3.22Å; V184-V189 HydrophobicContact CB-CG1 4Å; V184-V189 HydrophobicContact CB-CG2 4.42Å; V184-V189 HydrophobicContact CG2-CG1 4.24Å; V184-V189 HydrophobicContact CG2-CG2 3.83Å |
| 185 | D | 98.1 | Very high | 98.2 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 37.6 | 179.1 | -59.4 | -23.3 | 0 | 0 | 0 | 112.8 | H168 L169 A187 W345 | H168-D185 WeakPolarHBondContact CA-OD1 3.26Å; H168-D185 IonicContact CE1-OD2 2.79Å; H168-D185 PolarHBondContact CE1-OD2 3.26Å; H168-D185 IonicContact CG-OD1 3.5Å; H168-D185 VanDerWaalsContact ND1-CG 3.28Å; H168-D185 IonicContact ND1-OD1 3.23Å; H168-D185 PolarHBondContact ND1-OD1 2.89Å; H168-D185 IonicContact ND1-OD2 2.78Å; H168-D185 PolarHBondContact ND1-OD2 2.9Å; L169-D185 PolarHBondContact N-OD1 2.79Å; L169-D185 VanDerWaalsContact N-OD1 3.07Å; L169-D185 PolarHBondContact O-N 2.84Å; D185-A187 PolarHBondContact O-N 2.74Å; D185-A187 VanDerWaalsContact O-N 3.13Å; D185-W345 VanDerWaalsContact CA-CH2 3.45Å; D185-W345 HydrophobicContact CB-CH2 3.43Å; D185-W345 VanDerWaalsContact CB-CH2 3.43Å; D185-W345 HydrophobicContact CB-CZ2 3.63Å; D185-W345 HydrophobicContact CB-CZ3 4.4Å; D185-W345 VanDerWaalsContact OD1-CZ2 3.25Å; D185-W345 WeakPolarHBondContact OD1-CZ2 3.34Å |
| 186 | N | 97.9 | Very high | 98.1 | Very high | 22 Ų | 22 | 44 Ų | 44 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 11.1 | -172.2 | -84.8 | -24.9 | 0 | 0 | 0 | 115.3 | V184 K338 E342 | V184-N186 PolarHBondContact O-N 2.86Å; N186-K338 PolarHBondContact ND2-O 2.86Å; N186-E342 PolarHBondContact ND2-OE1 2.94Å |
| 187 | A | 98 | Very high | 98.1 | Very high | 53 Ų | 53 | 42.6 Ų | 42.6 | 44% | 0.438 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L183 V184 D185 V189 | L183-A187 CarbonylContact C-O 3.51Å; L183-A187 WeakPolarHBondContact CA-O 3.47Å; L183-A187 WeakPolarHBondContact CB-O 3.32Å; V184-A187 PolarHBondContact N-O 3.26Å; V184-A187 WeakPolarHBondContact O-CB 3.47Å; V184-A187 PolarHBondContact O-N 3.22Å; D185-A187 PolarHBondContact O-N 2.74Å; D185-A187 VanDerWaalsContact O-N 3.13Å; A187-V189 PolarHBondContact O-N 2.89Å |
| 188 | K | 98.2 | Very high | 98.1 | Very high | 102 Ų | 102 | 37.9 Ų | 37.9 | 44% | 0.443 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 115.5 | 174.6 | -171.4 | 170.5 | 71.5 | 174.9 | 0 | 109.8 | E181 L183 E191 | E181-K188 HydrophobicContact CB-CD 4.48Å; E181-K188 HydrophobicContact CG-CD 4.25Å; E181-K188 VanDerWaalsContact OE2-CD 3.3Å; E181-K188 WeakPolarHBondContact OE2-CD 3.43Å; L183-K188 HydrophobicContact CG-CB 4.37Å; K188-E191 HydrophobicContact CD-CB 4.21Å; K188-E191 WeakPolarHBondContact CE-OE1 3.15Å; K188-E191 IonicContact NZ-OE1 2.64Å; K188-E191 PolarHBondContact NZ-OE1 3.34Å; K188-E191 IonicContact NZ-OE2 2.78Å; K188-E191 PolarHBondContact NZ-OE2 2.84Å |
| 189 | V | 98.2 | Very high | 98 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -23.5 | 179.8 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | I159 V182 V184 A187 | I159-V189 HydrophobicContact CG2-CG2 3.92Å; V182-V189 HydrophobicContact CB-CG2 4.2Å; V182-V189 HydrophobicContact CG1-CG2 3.93Å; V182-V189 VanDerWaalsContact O-CG2 3.29Å; V182-V189 WeakPolarHBondContact O-CG2 3.35Å; V182-V189 PolarHBondContact O-N 3.19Å; V184-V189 HydrophobicContact CB-CG1 4Å; V184-V189 HydrophobicContact CB-CG2 4.42Å; V184-V189 HydrophobicContact CG2-CG1 4.24Å; V184-V189 HydrophobicContact CG2-CG2 3.83Å; A187-V189 PolarHBondContact O-N 2.89Å |
| 190 | E | 98.1 | Very high | 97.9 | Very high | 40 Ų | 40 | 37.6 Ų | 37.6 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 149.6 | 178.2 | -174.6 | 54.4 | -105.6 | 0 | 0 | 111.3 | K157 I159 Y180 E181 V182 | K157-E190 HydrophobicContact CD-CG 4.07Å; K157-E190 WeakPolarHBondContact CD-OE1 3.26Å; K157-E190 VanDerWaalsContact CD-OE2 3.24Å; K157-E190 WeakPolarHBondContact CD-OE2 3.31Å; K157-E190 IonicContact NZ-OE1 2.72Å; K157-E190 PolarHBondContact NZ-OE1 3.22Å; I159-E190 HydrophobicContact CD1-CB 3.81Å; I159-E190 HydrophobicContact CD1-CG 3.9Å; I159-E190 HydrophobicContact CG1-CB 4.05Å; I159-E190 HydrophobicContact CG1-CG 4.11Å; Y180-E190 HydrophobicContact CE2-CG 3.94Å; E181-E190 WeakPolarHBondContact CA-O 3.13Å; V182-E190 HydrophobicContact CB-CB 4.14Å; V182-E190 HydrophobicContact CG2-CB 4.46Å; V182-E190 PolarHBondContact N-O 3.45Å; V182-E190 PolarHBondContact O-N 3.1Å |
| 191 | E | 98.3 | Very high | 97.8 | Very high | 98 Ų | 98 | 38.5 Ų | 38.5 | 46% | 0.458 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 154.2 | 171.8 | 69.7 | -177.1 | 149.8 | 0 | 0 | 112 | K157 Y180 E181 K188 | K157-E191 PolarHBondContact NZ-O 2.86Å; Y180-E191 WeakPolarHBondContact O-CA 3.43Å; E181-E191 HydrophobicContact CG-CB 4.11Å; K188-E191 HydrophobicContact CD-CB 4.21Å; K188-E191 WeakPolarHBondContact CE-OE1 3.15Å; K188-E191 IonicContact NZ-OE1 2.64Å; K188-E191 PolarHBondContact NZ-OE1 3.34Å; K188-E191 IonicContact NZ-OE2 2.78Å; K188-E191 PolarHBondContact NZ-OE2 2.84Å |
| 192 | G | 98.2 | Very high | 97.6 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 25% | 0.247 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | -154.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K179 Y180 | K179-G192 WeakPolarHBondContact CA-O 3.47Å; K179-G192 WeakPolarHBondContact CB-O 3.41Å; Y180-G192 VanDerWaalsContact CD1-C 3.5Å; Y180-G192 WeakPolarHBondContact CD1-O 3.47Å; Y180-G192 VanDerWaalsContact CE1-CA 3.42Å; Y180-G192 PolarHBondContact N-O 3.07Å; Y180-G192 PolarHBondContact O-N 2.74Å; Y180-G192 VanDerWaalsContact O-N 3.11Å |
| 193 | S | 98.2 | Very high | 97.4 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 16% | 0.161 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 143.7 | 175.7 | 89.4 | 0 | 0 | 0 | 0 | 110.3 | N178 E195 D196 D197 | N178-S193 CarbonylContact O-C 3.54Å; N178-S193 WeakPolarHBondContact O-CA 3.36Å; S193-E195 PolarHBondContact O-N 3.39Å; S193-D196 PolarHBondContact O-N 2.8Å; S193-D196 WeakPolarHBondContact OG-CB 3.3Å; S193-D196 PolarHBondContact OG-N 3.42Å; S193-D196 PolarHBondContact OG-OD2 3.45Å; S193-D197 WeakPolarHBondContact O-CB 3.25Å; S193-D197 PolarHBondContact O-N 2.78Å; S193-D197 VanDerWaalsContact O-N 3.08Å |
| 194 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -31 | 176.4 | -63.6 | -178.5 | 0 | 0 | 0 | 112 | F146 V174 N178 Y180 W198 M200 L303 | F146-L194 HydrophobicContact CD2-CD2 4.23Å; F146-L194 HydrophobicContact CE1-CD1 4.49Å; F146-L194 HydrophobicContact CE1-CD2 4.18Å; F146-L194 HydrophobicContact CE2-CD2 3.55Å; F146-L194 HydrophobicContact CZ-CD2 3.54Å; V174-L194 HydrophobicContact CG1-CD1 4.38Å; N178-L194 HydrophobicContact CB-CB 4.46Å; N178-L194 WeakPolarHBondContact O-CG 3.46Å; N178-L194 PolarHBondContact O-N 2.84Å; Y180-L194 HydrophobicContact CD1-CD2 4.21Å; Y180-L194 HydrophobicContact CG-CD2 4.48Å; L194-W198 HydrophobicContact CB-CE3 4.42Å; L194-W198 HydrophobicContact CD2-CE3 3.94Å; L194-W198 HydrophobicContact CD2-CH2 3.98Å; L194-W198 HydrophobicContact CD2-CZ3 3.57Å; L194-W198 PolarHBondContact O-N 2.8Å; L194-M200 HydrophobicContact CB-CE 4.49Å; L194-L303 HydrophobicContact CB-CB 4.29Å; L194-L303 HydrophobicContact CB-CD1 4.43Å; L194-L303 HydrophobicContact CD1-CB 4.16Å |
| 195 | E | 96.1 | Very high | 97.1 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.2 | -37.3 | -178.1 | -173.5 | 176.6 | 148.5 | 0 | 0 | 112.8 | S193 L201 K204 Y297 H299 L303 | S193-E195 PolarHBondContact O-N 3.39Å; E195-L201 HydrophobicContact CG-CD1 4.1Å; E195-K204 WeakPolarHBondContact OE1-CE 3.41Å; E195-K204 IonicContact OE1-NZ 2.9Å; E195-K204 PolarHBondContact OE1-NZ 3.39Å; E195-Y297 VanDerWaalsContact OE1-CE2 3.3Å; E195-Y297 WeakPolarHBondContact OE1-CE2 3.39Å; E195-Y297 VanDerWaalsContact OE1-CZ 3.27Å; E195-Y297 PolarHBondContact OE1-OH 2.9Å; E195-H299 IonicContact OE2-CE1 3.75Å; E195-H299 PolarHBondContact OE2-CE1 3.31Å; E195-H299 IonicContact OE2-CG 3.97Å; E195-H299 IonicContact OE2-ND1 2.96Å; E195-H299 PolarHBondContact OE2-ND1 2.64Å; E195-L303 HydrophobicContact CB-CD1 3.93Å; E195-L303 HydrophobicContact CG-CD1 4.46Å |
| 196 | D | 96.7 | Very high | 97 | Very high | 86 Ų | 86 | 51.4 Ų | 51.4 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -85.2 | -38.5 | -177.2 | -57.7 | -45.2 | 0 | 0 | 0 | 110.9 | K156 S193 K204 | K156-D196 WeakPolarHBondContact CD-O 3.47Å; K156-D196 PolarHBondContact NZ-O 3.09Å; S193-D196 PolarHBondContact O-N 2.8Å; S193-D196 WeakPolarHBondContact OG-CB 3.3Å; S193-D196 PolarHBondContact OG-N 3.42Å; S193-D196 PolarHBondContact OG-OD2 3.45Å; D196-K204 IonicContact OD1-NZ 3.76Å; D196-K204 PolarHBondContact OD1-NZ 3.16Å |
| 197 | D | 98.1 | Very high | 96.9 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 10% | 0.096 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -91.2 | -2.4 | -171.4 | -66.1 | -24.2 | 0 | 0 | 0 | 114.5 | I155 K156 K157 Y180 S193 | I155-D197 HydrophobicContact CG1-CB 4.42Å; K156-D197 WeakPolarHBondContact CB-O 3.31Å; K156-D197 VanDerWaalsContact CG-O 3.28Å; K156-D197 WeakPolarHBondContact CG-O 3.44Å; K156-D197 PolarHBondContact N-O 2.79Å; K157-D197 VanDerWaalsContact CE-CG 3.45Å; K157-D197 WeakPolarHBondContact CE-OD1 3.32Å; K157-D197 VanDerWaalsContact CE-OD2 3.27Å; K157-D197 WeakPolarHBondContact CE-OD2 3.31Å; K157-D197 IonicContact NZ-OD1 3.89Å; K157-D197 IonicContact NZ-OD2 2.67Å; K157-D197 PolarHBondContact NZ-OD2 3.38Å; Y180-D197 HydrophobicContact CE1-CB 4.08Å; Y180-D197 WeakPolarHBondContact CE1-OD2 3.29Å; Y180-D197 VanDerWaalsContact CZ-OD2 3.31Å; Y180-D197 PolarHBondContact OH-OD2 2.89Å; S193-D197 WeakPolarHBondContact O-CB 3.25Å; S193-D197 PolarHBondContact O-N 2.78Å; S193-D197 VanDerWaalsContact O-N 3.08Å |
| 198 | W | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -136.9 | 148 | 172.1 | -69.3 | -101.6 | 0 | 0 | 0 | 111.7 | V144 F146 H153 I155 Y180 L194 M200 | V144-W198 HydrophobicContact CB-CZ2 3.86Å; V144-W198 HydrophobicContact CG1-CH2 4.24Å; V144-W198 HydrophobicContact CG1-CZ2 3.6Å; V144-W198 PolarHBondContact O-NE1 3.34Å; F146-W198 HydrophobicContact CD2-CD2 4.28Å; F146-W198 AromaticContact CD2-CE2 3.64Å; F146-W198 AromaticContact CD2-CZ2 3.79Å; F146-W198 HydrophobicContact CD2-CZ2 3.79Å; F146-W198 AromaticContact CD2-NE1 3.7Å; F146-W198 AromaticContact CE2-CE2 3.86Å; F146-W198 AromaticContact CE2-CH2 3.9Å; F146-W198 HydrophobicContact CE2-CH2 3.9Å; F146-W198 AromaticContact CE2-CZ2 3.51Å; F146-W198 HydrophobicContact CE2-CZ2 3.51Å; H153-W198 HydrophobicContact CB-CB 4.4Å; H153-W198 PolarHBondContact O-NE1 2.82Å; I155-W198 VanDerWaalsContact CA-NE1 3.32Å; I155-W198 HydrophobicContact CB-CD2 4.45Å; I155-W198 HydrophobicContact CB-CH2 4.33Å; I155-W198 HydrophobicContact CB-CZ2 3.52Å; I155-W198 HydrophobicContact CD1-CH2 3.72Å; I155-W198 HydrophobicContact CD1-CZ2 3.72Å; I155-W198 HydrophobicContact CG1-CD2 4.45Å; I155-W198 HydrophobicContact CG1-CH2 3.87Å; I155-W198 HydrophobicContact CG1-CZ2 3.57Å; I155-W198 HydrophobicContact CG1-CZ3 4.41Å; Y180-W198 AromaticContact CD1-CH2 3.71Å; Y180-W198 HydrophobicContact CD1-CH2 3.71Å; Y180-W198 AromaticContact CD1-CZ3 3.5Å; Y180-W198 HydrophobicContact CD1-CZ3 3.5Å; Y180-W198 VanDerWaalsContact CD1-CZ3 3.5Å; Y180-W198 AromaticContact CD2-CH2 3.95Å; Y180-W198 HydrophobicContact CD2-CH2 3.95Å; Y180-W198 AromaticContact CE1-CH2 3.59Å; Y180-W198 HydrophobicContact CE1-CH2 3.59Å; Y180-W198 AromaticContact CE1-CZ3 3.29Å; Y180-W198 HydrophobicContact CE1-CZ3 3.29Å; Y180-W198 AromaticContact CE2-CH2 3.82Å; Y180-W198 HydrophobicContact CE2-CH2 3.82Å; Y180-W198 HydrophobicContact CE2-CZ3 4.38Å; Y180-W198 AromaticContact CG-CH2 3.9Å; Y180-W198 HydrophobicContact CG-CH2 3.9Å; Y180-W198 HydrophobicContact CG-CZ3 4.15Å; Y180-W198 AromaticContact CZ-CH2 3.63Å; Y180-W198 AromaticContact CZ-CZ3 3.77Å; L194-W198 HydrophobicContact CB-CE3 4.42Å; L194-W198 HydrophobicContact CD2-CE3 3.94Å; L194-W198 HydrophobicContact CD2-CH2 3.98Å; L194-W198 HydrophobicContact CD2-CZ3 3.57Å; L194-W198 PolarHBondContact O-N 2.8Å; W198-M200 HydrophobicContact CB-CE 3.56Å; W198-M200 HydrophobicContact CB-CG 3.76Å; W198-M200 HydrophobicContact CB-SD 4.48Å; W198-M200 HydrophobicContact CD2-CE 3.93Å; W198-M200 HydrophobicContact CE3-CE 4.49Å; W198-M200 HydrophobicContact CG-CE 3.5Å; W198-M200 VanDerWaalsContact CG-CE 3.5Å; W198-M200 PolarHBondContact O-N 2.92Å |
| 199 | D | 96.1 | Very high | 96.6 | Very high | 107 Ų | 107 | 54.1 Ų | 54.1 | 57% | 0.572 | 30% | 0.297 | S | S | * | . | trans | -85.8 | 53.2 | 175.5 | -63.2 | -49.4 | 0 | 0 | 0 | 112.3 | H153 K156 | H153-D199 PolarHBondContact CE1-O 3Å; H153-D199 PolarHBondContact ND1-O 3.07Å; K156-D199 WeakPolarHBondContact CE-OD1 3.36Å; K156-D199 VanDerWaalsContact CE-OD2 3.27Å; K156-D199 WeakPolarHBondContact CE-OD2 2.96Å; K156-D199 IonicContact NZ-OD1 2.61Å; K156-D199 PolarHBondContact NZ-OD1 3.24Å | ||
| 200 | M | 96.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 57 Ų | 57 | 6% | 0.064 | 31% | 0.31 | C | S | . | . | trans | -79.9 | -30.8 | 179.8 | -60.7 | -169.6 | -158 | 0 | 0 | 112.8 | F146 Y148 H153 L194 W198 L303 | F146-M200 HydrophobicContact CB-CE 3.42Å; F146-M200 VanDerWaalsContact CB-CE 3.42Å; F146-M200 HydrophobicContact CB-SD 4.42Å; F146-M200 HydrophobicContact CD2-CE 3.78Å; F146-M200 HydrophobicContact CG-CE 3.69Å; Y148-M200 HydrophobicContact CD1-CB 3.82Å; Y148-M200 WeakPolarHBondContact CD1-O 3.33Å; Y148-M200 HydrophobicContact CE1-CB 4.31Å; Y148-M200 VanDerWaalsContact CE1-O 3.24Å; Y148-M200 WeakPolarHBondContact CE1-O 3.46Å; Y148-M200 HydrophobicContact CG-CB 4.16Å; Y148-M200 HydrophobicContact CG-CG 4.46Å; Y148-M200 HydrophobicContact CG-SD 4.26Å; H153-M200 HydrophobicContact CB-CG 4.13Å; L194-M200 HydrophobicContact CB-CE 4.49Å; W198-M200 HydrophobicContact CB-CE 3.56Å; W198-M200 HydrophobicContact CB-CG 3.76Å; W198-M200 HydrophobicContact CB-SD 4.48Å; W198-M200 HydrophobicContact CD2-CE 3.93Å; W198-M200 HydrophobicContact CE3-CE 4.49Å; W198-M200 HydrophobicContact CG-CE 3.5Å; W198-M200 VanDerWaalsContact CG-CE 3.5Å; W198-M200 PolarHBondContact O-N 2.92Å; M200-L303 HydrophobicContact CB-CD2 4.1Å; M200-L303 HydrophobicContact SD-CD2 4.2Å | ||
| 201 | L | 96.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -109.3 | 156.9 | 178.2 | -60.5 | -176.8 | 0 | 0 | 0 | 110.2 | Y148 E195 Y297 D300 L303 | Y148-L201 HydrophobicContact CE1-CD2 4.1Å; E195-L201 HydrophobicContact CG-CD1 4.1Å; L201-Y297 HydrophobicContact CD1-CE2 4.25Å; L201-D300 HydrophobicContact CD1-CB 4.24Å; L201-D300 HydrophobicContact CD2-CB 4.08Å; L201-L303 HydrophobicContact CD1-CD1 4.09Å; L201-L303 HydrophobicContact CD1-CD2 4.49Å; L201-L303 HydrophobicContact CD2-CD2 4.02Å; L201-L303 HydrophobicContact CG-CD1 4.36Å; L201-L303 HydrophobicContact CG-CD2 4.14Å |
| 202 | P | 95 | Very high | 96 | Very high | 56 Ų | 56 | 60.7 Ų | 60.7 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | trans | -52.8 | 152.5 | 167.4 | -25.2 | 35.8 | 0 | 0 | 0 | 111.4 | Y297 | P202-Y297 WeakPolarHBondContact O-CD2 3.38Š| ||
| 203 | P | 94.6 | Very high | 95.8 | Very high | 79 Ų | 79 | 62.8 Ų | 62.8 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | trans | -62.3 | 145.6 | 179.5 | 28 | -35.9 | 0 | 0 | 0 | 110.5 | K205 I206 N294 | P203-K205 PolarHBondContact O-N 3.16Å; P203-I206 HydrophobicContact CG-CG2 3.98Å; P203-N294 WeakPolarHBondContact O-CB 3.48Å; P203-N294 PolarHBondContact O-ND2 2.88Å | ||
| 204 | K | 94.4 | Very high | 95.6 | Very high | 90 Ų | 90 | 64.2 Ų | 64.2 | 39% | 0.391 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -62.8 | -31 | 178.5 | -69.9 | 169.3 | 178.9 | 165.7 | 0 | 112.6 | E195 D196 N294 Y297 | E195-K204 WeakPolarHBondContact OE1-CE 3.41Å; E195-K204 IonicContact OE1-NZ 2.9Å; E195-K204 PolarHBondContact OE1-NZ 3.39Å; D196-K204 IonicContact OD1-NZ 3.76Å; D196-K204 PolarHBondContact OD1-NZ 3.16Å; K204-N294 PolarHBondContact O-N 2.86Å; K204-Y297 HydrophobicContact CD-CE2 4.49Å; K204-Y297 HydrophobicContact CG-CD1 4.42Å; K204-Y297 HydrophobicContact CG-CD2 3.89Å; K204-Y297 HydrophobicContact CG-CE1 4.19Å; K204-Y297 HydrophobicContact CG-CE2 3.62Å; K204-Y297 HydrophobicContact CG-CG 4.28Å |
| 205 | K | 95.6 | Very high | 95.4 | Very high | 97 Ų | 97 | 72.6 Ų | 72.6 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.5 | -178.1 | -64.3 | -66.7 | -170.7 | 177.4 | 0 | 110.7 | P203 Q291 I292 D293 | P203-K205 PolarHBondContact O-N 3.16Å; K205-Q291 HydrophobicContact CB-CB 4.25Å; K205-I292 CarbonylContact C-O 3.59Å; K205-I292 WeakPolarHBondContact CA-O 3.39Å; K205-I292 VanDerWaalsContact CD-O 3.3Å; K205-I292 WeakPolarHBondContact CD-O 3.38Å; K205-D293 WeakPolarHBondContact CE-OD1 3.5Å; K205-D293 VanDerWaalsContact NZ-CG 3.27Å; K205-D293 IonicContact NZ-OD1 2.64Å; K205-D293 PolarHBondContact NZ-OD1 2.89Å; K205-D293 IonicContact NZ-OD2 3.52Å |
| 206 | I | 95.8 | Very high | 95.3 | Very high | 54 Ų | 54 | 76.4 Ų | 76.4 | 28% | 0.277 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 158 | 173.8 | 56.8 | 174.4 | 0 | 0 | 0 | 109.7 | P203 D208 Q291 I292 N294 | P203-I206 HydrophobicContact CG-CG2 3.98Å; I206-D208 PolarHBondContact O-N 3.48Å; I206-Q291 CarbonylContact O-C 3.29Å; I206-Q291 WeakPolarHBondContact O-CA 3.19Å; I206-I292 HydrophobicContact CG1-CG1 4.03Å; I206-I292 PolarHBondContact N-O 2.9Å; I206-I292 PolarHBondContact O-N 2.89Å; I206-N294 HydrophobicContact CD1-CB 4.47Å; I206-N294 HydrophobicContact CG1-CB 4.26Å; I206-N294 HydrophobicContact CG2-CB 3.95Å |
| 207 | D | 96.7 | Very high | 95.2 | Very high | 91 Ų | 91 | 75.1 Ų | 75.1 | 49% | 0.487 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 131.6 | 168.5 | -66.2 | 5 | 0 | 0 | 0 | 109.6 | P209 P289 Q291 | D207-P209 WeakPolarHBondContact O-CD 3.36Å; D207-P209 VanDerWaalsContact O-N 3.16Å; D207-P289 HydrophobicContact CB-CB 3.86Å; D207-P289 HydrophobicContact CB-CG 4.09Å; D207-Q291 PolarHBondContact OD1-NE2 2.87Å |
| 208 | D | 95.5 | Very high | 95 | Very high | 37 Ų | 37 | 76 Ų | 76 | 20% | 0.198 | 40% | 0.398 | C | S | . | . | trans | -64.9 | 113.4 | 171.8 | -174 | -12.3 | 0 | 0 | 0 | 108.7 | I206 N210 D211 V290 I292 | I206-D208 PolarHBondContact O-N 3.48Å; D208-N210 PolarHBondContact O-N 2.92Å; D208-N210 VanDerWaalsContact O-N 3.07Å; D208-N210 WeakPolarHBondContact OD1-CB 3.45Å; D208-N210 PolarHBondContact OD1-N 2.91Å; D208-N210 PolarHBondContact OD1-ND2 3.25Å; D208-N210 VanDerWaalsContact OD1-ND2 3.1Å; D208-D211 HydrophobicContact CB-CB 3.82Å; D208-D211 PolarHBondContact O-N 3.04Å; D208-V290 WeakPolarHBondContact CB-O 3.37Å; D208-V290 PolarHBondContact N-O 2.74Å; D208-I292 HydrophobicContact CB-CD1 4.17Å; D208-I292 HydrophobicContact CB-CG1 4.17Å; D208-I292 HydrophobicContact CB-CG2 3.82Å | ||
| 209 | P | 93.9 | Very high | 94.8 | Very high | 105 Ų | 105 | 80.7 Ų | 80.7 | 68% | 0.682 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12.8 | -179.2 | 29.3 | -36.2 | 0 | 0 | 0 | 112.8 | D207 | D207-P209 WeakPolarHBondContact O-CD 3.36Å; D207-P209 VanDerWaalsContact O-N 3.16Å |
| 210 | N | 94.1 | Very high | 94.7 | Very high | 130 Ų | 130 | 81.2 Ų | 81.2 | 70% | 0.695 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -13.2 | 176.4 | -51.5 | -72.7 | 0 | 0 | 0 | 112.9 | D208 | D208-N210 PolarHBondContact O-N 2.92Å; D208-N210 VanDerWaalsContact O-N 3.07Å; D208-N210 WeakPolarHBondContact OD1-CB 3.45Å; D208-N210 PolarHBondContact OD1-N 2.91Å; D208-N210 PolarHBondContact OD1-ND2 3.25Å; D208-N210 VanDerWaalsContact OD1-ND2 3.1Å |
| 211 | D | 94.5 | Very high | 94.7 | Very high | 48 Ų | 48 | 85 Ų | 85 | 26% | 0.257 | 44% | 0.44 | S | S | . | . | trans | -74.4 | 131.5 | 177.1 | -171.3 | 29.6 | 0 | 0 | 0 | 109.8 | D208 P289 V290 | D208-D211 HydrophobicContact CB-CB 3.82Å; D208-D211 PolarHBondContact O-N 3.04Å; D211-P289 HydrophobicContact CB-CB 4.46Å; D211-P289 WeakPolarHBondContact OD2-CA 3.36Å; D211-V290 WeakPolarHBondContact OD2-CG2 3.38Å; D211-V290 PolarHBondContact OD2-N 2.89Å | ||
| 212 | K | 94.4 | Very high | 94.7 | Very high | 166 Ų | 166 | 87.7 Ų | 87.7 | 72% | 0.722 | 45% | 0.451 | S | S | * | . | trans | -125.8 | 138.8 | -175.7 | -69.4 | -174.9 | -179 | -179.5 | 0 | 108.6 | P214 W287 | K212-P214 WeakPolarHBondContact O-CD 3.31Å; K212-W287 VanDerWaalsContact C-CZ2 3.43Å | ||
| 213 | K | 94 | Very high | 94.7 | Very high | 69 Ų | 69 | 87.4 Ų | 87.4 | 30% | 0.3 | 45% | 0.445 | S | S | . | . | trans | -54 | 124 | 173 | -174.9 | 171 | 167.4 | -172.4 | 0 | 109.9 | W217 D219 W287 | K213-W217 HydrophobicContact CD-CB 4.49Å; K213-W217 HydrophobicContact CG-CB 3.95Å; K213-W217 HydrophobicContact CG-CG 4.33Å; K213-D219 IonicContact NZ-OD1 2.58Å; K213-D219 PolarHBondContact NZ-OD1 2.88Å; K213-D219 IonicContact NZ-OD2 2.61Å; K213-D219 PolarHBondContact NZ-OD2 2.86Å; K213-W287 HydrophobicContact CB-CD2 3.54Å; K213-W287 HydrophobicContact CB-CE3 3.73Å; K213-W287 HydrophobicContact CB-CG 4.02Å; K213-W287 HydrophobicContact CB-CH2 4.12Å; K213-W287 HydrophobicContact CB-CZ2 4Å; K213-W287 HydrophobicContact CB-CZ3 4Å; K213-W287 HydrophobicContact CD-CB 3.92Å; K213-W287 HydrophobicContact CD-CD2 4.07Å; K213-W287 HydrophobicContact CD-CE3 4.13Å; K213-W287 HydrophobicContact CD-CG 3.98Å; K213-W287 HydrophobicContact CG-CB 4.05Å; K213-W287 HydrophobicContact CG-CD2 3.72Å; K213-W287 HydrophobicContact CG-CE3 4.16Å; K213-W287 HydrophobicContact CG-CG 3.64Å | ||
| 214 | P | 94.2 | Very high | 94.7 | Very high | 52 Ų | 52 | 87.8 Ų | 87.8 | 34% | 0.338 | 44% | 0.443 | S | S | . | . | trans | -59.6 | 140.8 | 176.1 | -25.7 | 35.3 | 0 | 0 | 0 | 111.4 | K212 D216 W217 | K212-P214 WeakPolarHBondContact O-CD 3.31Å; P214-D216 WeakPolarHBondContact CB-OD1 3.22Å; P214-D216 PolarHBondContact O-N 3.49Å; P214-W217 HydrophobicContact CB-CB 4.45Å; P214-W217 HydrophobicContact CG-CE3 4.45Å; P214-W217 VanDerWaalsContact O-CB 3.24Å; P214-W217 WeakPolarHBondContact O-CB 3.44Å; P214-W217 PolarHBondContact O-N 3.08Å | ||
| 215 | D | 93.5 | Very high | 94.7 | Very high | 177 Ų | 177 | 84.3 Ų | 84.3 | 95% | 0.947 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -22.5 | 178.6 | -66.2 | -33.1 | 0 | 0 | 0 | 112.7 | W217 | D215-W217 VanDerWaalsContact C-N 3.34Š|
| 216 | D | 93.4 | Very high | 94.6 | Very high | 107 Ų | 107 | 84.7 Ų | 84.7 | 57% | 0.572 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 1 | 176.1 | 75 | -44.2 | 0 | 0 | 0 | 113.5 | P214 V218 K284 | P214-D216 WeakPolarHBondContact CB-OD1 3.22Å; P214-D216 PolarHBondContact O-N 3.49Å; D216-V218 PolarHBondContact O-N 2.83Å; D216-K284 IonicContact OD2-NZ 3.71Å |
| 217 | W | 94.2 | Very high | 94.4 | Very high | 59 Ų | 59 | 88.5 Ų | 88.5 | 22% | 0.223 | 46% | 0.462 | C | S | . | . | trans | -76.9 | 116 | 178.7 | -163.5 | -76.2 | 0 | 0 | 0 | 111.2 | K213 P214 D215 K284 G285 W287 | K213-W217 HydrophobicContact CD-CB 4.49Å; K213-W217 HydrophobicContact CG-CB 3.95Å; K213-W217 HydrophobicContact CG-CG 4.33Å; P214-W217 HydrophobicContact CB-CB 4.45Å; P214-W217 HydrophobicContact CG-CE3 4.45Å; P214-W217 VanDerWaalsContact O-CB 3.24Å; P214-W217 WeakPolarHBondContact O-CB 3.44Å; P214-W217 PolarHBondContact O-N 3.08Å; D215-W217 VanDerWaalsContact C-N 3.34Å; W217-K284 HydrophobicContact CE3-CD 4.15Å; W217-K284 HydrophobicContact CH2-CB 3.56Å; W217-K284 HydrophobicContact CH2-CD 4.27Å; W217-K284 HydrophobicContact CZ2-CB 3.56Å; W217-K284 HydrophobicContact CZ3-CB 4.05Å; W217-K284 HydrophobicContact CZ3-CD 3.9Å; W217-G285 WeakPolarHBondContact CZ2-O 3.33Å; W217-G285 PolarHBondContact NE1-O 2.67Å; W217-W287 HydrophobicContact CD2-CB 4.08Å; W217-W287 AromaticContact CD2-CD1 4Å; W217-W287 HydrophobicContact CD2-CG 4.41Å; W217-W287 HydrophobicContact CG-CB 4.14Å; W217-W287 HydrophobicContact CZ2-CB 4.25Å | ||
| 218 | V | 94.1 | Very high | 94.2 | Very high | 35 Ų | 35 | 85.8 Ų | 85.8 | 21% | 0.212 | 45% | 0.448 | C | S | . | . | B | Isolated β-bridge | trans | -91 | 126.8 | 179.9 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | D216 E220 N280 K282 Y283 | D216-V218 PolarHBondContact O-N 2.83Å; V218-E220 HydrophobicContact CG1-CB 4.18Å; V218-N280 WeakPolarHBondContact CG1-ND2 3.42Å; V218-K282 HydrophobicContact CB-CB 4.31Å; V218-K282 HydrophobicContact CG2-CB 3.71Å; V218-K282 HydrophobicContact CG2-CD 4.33Å; V218-Y283 VanDerWaalsContact O-CD2 3.26Å; V218-Y283 WeakPolarHBondContact O-CD2 3.49Å |
| 219 | D | 94.6 | Very high | 94.1 | Very high | 100 Ų | 100 | 92.3 Ų | 92.3 | 54% | 0.535 | 47% | 0.474 | S | S | . | . | trans | -84.4 | -27.1 | 175.6 | -67.6 | -48.5 | 0 | 0 | 0 | 113.4 | K213 Q221 Y283 | K213-D219 IonicContact NZ-OD1 2.58Å; K213-D219 PolarHBondContact NZ-OD1 2.88Å; K213-D219 IonicContact NZ-OD2 2.61Å; K213-D219 PolarHBondContact NZ-OD2 2.86Å; D219-Q221 PolarHBondContact O-N 3.33Å; D219-Q221 VanDerWaalsContact O-N 3.09Å; D219-Y283 WeakPolarHBondContact O-CE2 3.4Å | ||
| 220 | E | 93.9 | Very high | 94 | Very high | 119 Ų | 119 | 90.6 Ų | 90.6 | 56% | 0.556 | 46% | 0.456 | S | S | * | . | trans | -73.8 | 106.5 | -177.3 | -64.5 | -173.4 | 129.1 | 0 | 0 | 109.8 | V218 F222 N280 | V218-E220 HydrophobicContact CG1-CB 4.18Å; E220-F222 PolarHBondContact O-N 2.76Å; E220-N280 WeakPolarHBondContact O-CB 3.44Å; E220-N280 PolarHBondContact O-ND2 3.37Å | ||
| 221 | Q | 96 | Very high | 93.9 | Very high | 91 Ų | 91 | 87.1 Ų | 87.1 | 43% | 0.425 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -61.2 | -33.1 | 173 | -177.9 | 178 | 7.5 | 0 | 0 | 112.3 | D219 N280 Y283 | D219-Q221 PolarHBondContact O-N 3.33Å; D219-Q221 VanDerWaalsContact O-N 3.09Å; Q221-N280 WeakPolarHBondContact O-CB 3.3Å; Q221-N280 PolarHBondContact O-N 3.21Å; Q221-Y283 HydrophobicContact CB-CD1 3.99Å; Q221-Y283 HydrophobicContact CB-CD2 4.24Å; Q221-Y283 HydrophobicContact CB-CE1 3.88Å; Q221-Y283 HydrophobicContact CB-CE2 4.17Å; Q221-Y283 HydrophobicContact CB-CG 4.17Å; Q221-Y283 HydrophobicContact CG-CD1 3.86Å; Q221-Y283 HydrophobicContact CG-CE1 3.8Å; Q221-Y283 HydrophobicContact CG-CG 4.46Å |
| 222 | F | 96.3 | Very high | 93.6 | Very high | 80 Ų | 80 | 93 Ų | 93 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.6 | -177.3 | -55.8 | -75.6 | 0 | 0 | 0 | 110.8 | E220 R277 I278 D279 | E220-F222 PolarHBondContact O-N 2.76Å; F222-R277 HydrophobicContact CB-CB 4.22Å; F222-R277 PolarHBondContact O-NH2 2.78Å; F222-I278 CarbonylContact C-O 3.58Å; F222-I278 VanDerWaalsContact CA-O 3.25Å; F222-I278 WeakPolarHBondContact CA-O 3.39Å; F222-D279 WeakPolarHBondContact CE1-OD1 3.44Å |
| 223 | I | 94.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 89.3 Ų | 89.3 | 25% | 0.251 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 161 | 171.3 | 55.8 | 174.6 | 0 | 0 | 0 | 109.4 | R277 I278 N280 | I223-R277 CarbonylContact O-C 3.54Å; I223-R277 VanDerWaalsContact O-CA 3.27Å; I223-R277 WeakPolarHBondContact O-CA 3.31Å; I223-I278 HydrophobicContact CG1-CG1 4.01Å; I223-I278 PolarHBondContact N-O 2.92Å; I223-I278 PolarHBondContact O-N 3.15Å; I223-N280 HydrophobicContact CG1-CB 4.22Å; I223-N280 HydrophobicContact CG2-CB 3.88Å; I223-N280 WeakPolarHBondContact CG2-ND2 3.18Å |
| 224 | D | 95.8 | Very high | 93.1 | Very high | 87 Ų | 87 | 88.8 Ų | 88.8 | 47% | 0.465 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 136.7 | 169.7 | -71 | -5 | 0 | 0 | 0 | 109.8 | P226 P275 | D224-P226 VanDerWaalsContact O-CD 3.23Å; D224-P226 WeakPolarHBondContact O-CD 3.45Å; D224-P275 HydrophobicContact CB-CB 3.86Å; D224-P275 HydrophobicContact CB-CG 4.01Å |
| 225 | D | 94.2 | Very high | 92.8 | Very high | 18 Ų | 18 | 91.8 Ų | 91.8 | 10% | 0.096 | 47% | 0.47 | C | S | . | . | trans | -64.8 | 109 | 177.4 | -177.1 | -2.6 | 0 | 0 | 0 | 108.9 | D227 D228 R276 I278 | D225-D227 PolarHBondContact O-N 2.95Å; D225-D227 PolarHBondContact OD1-N 2.96Å; D225-D228 HydrophobicContact CB-CB 3.7Å; D225-D228 PolarHBondContact O-N 2.78Å; D225-D228 VanDerWaalsContact O-N 3.08Å; D225-R276 HydrophobicContact CB-CB 4.38Å; D225-R276 VanDerWaalsContact CB-O 3.23Å; D225-R276 WeakPolarHBondContact CB-O 3Å; D225-R276 PolarHBondContact N-O 3.17Å; D225-R276 IonicContact OD2-CZ 2.83Å; D225-R276 IonicContact OD2-NE 3.66Å; D225-R276 IonicContact OD2-NH2 3.33Å; D225-R276 PolarHBondContact OD2-NH2 2.81Å; D225-I278 HydrophobicContact CB-CD1 4.33Å; D225-I278 HydrophobicContact CB-CG1 4.24Å; D225-I278 HydrophobicContact CB-CG2 3.81Å | ||
| 226 | P | 92.7 | Very high | 92.7 | Very high | 104 Ų | 104 | 86.5 Ų | 86.5 | 68% | 0.675 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17.4 | -177.3 | 30.1 | -35.3 | 0 | 0 | 0 | 112.4 | D224 | D224-P226 VanDerWaalsContact O-CD 3.23Å; D224-P226 WeakPolarHBondContact O-CD 3.45Å |
| 227 | D | 92.9 | Very high | 92.5 | Very high | 135 Ų | 135 | 84.8 Ų | 84.8 | 72% | 0.722 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -9.9 | 177 | -67.5 | -45.2 | 0 | 0 | 0 | 112.5 | D225 K229 | D225-D227 PolarHBondContact O-N 2.95Å; D225-D227 PolarHBondContact OD1-N 2.96Å; D227-K229 PolarHBondContact O-N 2.87Å |
| 228 | D | 92.7 | Very high | 92.4 | Very high | 33 Ų | 33 | 88.4 Ų | 88.4 | 18% | 0.176 | 45% | 0.451 | C | S | . | . | trans | -76.3 | 110.3 | 177.9 | -167.6 | 31.5 | 0 | 0 | 0 | 110.4 | D225 W273 R276 | D225-D228 HydrophobicContact CB-CB 3.7Å; D225-D228 PolarHBondContact O-N 2.78Å; D225-D228 VanDerWaalsContact O-N 3.08Å; D228-W273 WeakPolarHBondContact O-CH2 3.29Å; D228-R276 IonicContact OD1-CZ 3.36Å; D228-R276 IonicContact OD1-NE 3.93Å; D228-R276 IonicContact OD1-NH2 2.75Å; D228-R276 VanDerWaalsContact OD2-CG 3.32Å; D228-R276 WeakPolarHBondContact OD2-CG 3.05Å; D228-R276 PolarHBondContact OD2-N 2.93Å; D228-R276 IonicContact OD2-NE 2.68Å | ||
| 229 | K | 92.2 | Very high | 92.3 | Very high | 174 Ų | 174 | 89 Ų | 89 | 76% | 0.757 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -100.4 | 129.3 | -179.5 | -66.5 | 179.9 | -176.4 | 176 | 0 | 109.2 | D227 P231 | D227-K229 PolarHBondContact O-N 2.87Å; K229-P231 WeakPolarHBondContact O-CD 3.16Å |
| 230 | K | 92.2 | Very high | 92.1 | Very high | 70 Ų | 70 | 86.6 Ų | 86.6 | 30% | 0.304 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -52 | 123.9 | 170.2 | -173.6 | 174 | -174.4 | 179.3 | 0 | 110.2 | W234 D235 W273 | K230-W234 HydrophobicContact CG-CB 3.99Å; K230-W234 HydrophobicContact CG-CG 4.36Å; K230-D235 VanDerWaalsContact CE-CG 3.46Å; K230-D235 WeakPolarHBondContact CE-OD1 3.45Å; K230-D235 WeakPolarHBondContact CE-OD2 3.49Å; K230-D235 IonicContact NZ-OD1 3.4Å; K230-D235 PolarHBondContact NZ-OD1 2.8Å; K230-D235 IonicContact NZ-OD2 3.73Å; K230-D235 PolarHBondContact NZ-OD2 3Å; K230-W273 HydrophobicContact CB-CD2 3.66Å; K230-W273 HydrophobicContact CB-CE3 3.85Å; K230-W273 HydrophobicContact CB-CG 4.15Å; K230-W273 HydrophobicContact CB-CH2 4.19Å; K230-W273 HydrophobicContact CB-CZ2 4.04Å; K230-W273 HydrophobicContact CB-CZ3 4.1Å; K230-W273 HydrophobicContact CD-CB 3.88Å; K230-W273 HydrophobicContact CD-CD2 4.03Å; K230-W273 HydrophobicContact CD-CE3 4.09Å; K230-W273 HydrophobicContact CD-CG 3.96Å; K230-W273 HydrophobicContact CG-CB 4.07Å; K230-W273 HydrophobicContact CG-CD2 3.73Å; K230-W273 HydrophobicContact CG-CE3 4.17Å; K230-W273 HydrophobicContact CG-CG 3.68Å |
| 231 | P | 91.3 | Very high | 92 | Very high | 56 Ų | 56 | 84 Ų | 84 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 139.2 | 176.2 | -25.2 | 34.9 | 0 | 0 | 0 | 111.7 | K229 N233 W234 | K229-P231 WeakPolarHBondContact O-CD 3.16Å; P231-N233 WeakPolarHBondContact CB-OD1 3.34Å; P231-N233 PolarHBondContact O-N 2.61Å; P231-W234 HydrophobicContact CG-CE3 4.35Å; P231-W234 VanDerWaalsContact O-CB 3.29Å; P231-W234 WeakPolarHBondContact O-CB 3.42Å; P231-W234 PolarHBondContact O-N 3.14Å |
| 232 | D | 88.3 | Confident | 91.8 | Very high | 172 Ų | 172 | 81.5 Ų | 81.5 | 92% | 0.92 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.9 | -179.4 | -66.4 | -27.7 | 0 | 0 | 0 | 113.1 | ||
| 233 | N | 88.5 | Confident | 91.5 | Very high | 88 Ų | 88 | 83.4 Ų | 83.4 | 47% | 0.471 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 7.5 | 179.7 | 71 | -12.7 | 0 | 0 | 0 | 114.5 | P231 Q236 | P231-N233 WeakPolarHBondContact CB-OD1 3.34Å; P231-N233 PolarHBondContact O-N 2.61Å; N233-Q236 WeakPolarHBondContact O-CG 3.49Å; N233-Q236 PolarHBondContact O-NE2 3.45Å |
| 234 | W | 90.3 | Very high | 91.3 | Very high | 59 Ų | 59 | 87.1 Ų | 87.1 | 22% | 0.223 | 46% | 0.456 | C | S | . | . | trans | -77.4 | -41.6 | -176.7 | -166.9 | -75.2 | 0 | 0 | 0 | 113.6 | K230 P231 Q236 K270 G271 W273 | K230-W234 HydrophobicContact CG-CB 3.99Å; K230-W234 HydrophobicContact CG-CG 4.36Å; P231-W234 HydrophobicContact CG-CE3 4.35Å; P231-W234 VanDerWaalsContact O-CB 3.29Å; P231-W234 WeakPolarHBondContact O-CB 3.42Å; P231-W234 PolarHBondContact O-N 3.14Å; W234-Q236 VanDerWaalsContact C-N 3.28Å; W234-Q236 PolarHBondContact O-N 2.82Å; W234-K270 HydrophobicContact CD2-CB 3.96Å; W234-K270 HydrophobicContact CD2-CD 4.09Å; W234-K270 HydrophobicContact CE3-CB 4.3Å; W234-K270 HydrophobicContact CE3-CD 3.72Å; W234-K270 HydrophobicContact CH2-CB 3.93Å; W234-K270 HydrophobicContact CH2-CD 4.24Å; W234-K270 HydrophobicContact CZ2-CB 3.53Å; W234-K270 WeakPolarHBondContact CZ2-O 3.3Å; W234-K270 HydrophobicContact CZ3-CB 4.28Å; W234-K270 HydrophobicContact CZ3-CD 3.8Å; W234-G271 PolarHBondContact NE1-O 3.22Å; W234-W273 HydrophobicContact CD2-CB 4.24Å; W234-W273 AromaticContact CD2-CD1 3.79Å; W234-W273 HydrophobicContact CD2-CG 4.37Å; W234-W273 AromaticContact CE2-CD1 3.86Å; W234-W273 HydrophobicContact CG-CB 4.15Å; W234-W273 HydrophobicContact CG-CG 4.5Å; W234-W273 HydrophobicContact CZ2-CB 4.48Å | ||
| 235 | D | 88.3 | Confident | 91 | Very high | 115 Ų | 115 | 83.9 Ų | 83.9 | 62% | 0.615 | 44% | 0.442 | S | S | * | . | trans | -75.6 | 81 | -178.7 | -76.3 | -43.4 | 0 | 0 | 0 | 111.2 | K230 | K230-D235 VanDerWaalsContact CE-CG 3.46Å; K230-D235 WeakPolarHBondContact CE-OD1 3.45Å; K230-D235 WeakPolarHBondContact CE-OD2 3.49Å; K230-D235 IonicContact NZ-OD1 3.4Å; K230-D235 PolarHBondContact NZ-OD1 2.8Å; K230-D235 IonicContact NZ-OD2 3.73Å; K230-D235 PolarHBondContact NZ-OD2 3Å | ||
| 236 | Q | 90.5 | Very high | 90.7 | Very high | 66 Ų | 66 | 91.9 Ų | 91.9 | 31% | 0.308 | 48% | 0.475 | S | S | . | . | trans | -101.9 | 146.5 | 173.1 | -59.8 | -58.4 | -36.4 | 0 | 0 | 109.6 | N233 W234 E268 Y269 | N233-Q236 WeakPolarHBondContact O-CG 3.49Å; N233-Q236 PolarHBondContact O-NE2 3.45Å; W234-Q236 VanDerWaalsContact C-N 3.28Å; W234-Q236 PolarHBondContact O-N 2.82Å; Q236-E268 HydrophobicContact CB-CB 4.34Å; Q236-E268 HydrophobicContact CG-CB 3.84Å; Q236-E268 WeakPolarHBondContact CG-O 3.42Å; Q236-Y269 WeakPolarHBondContact O-CD2 3.4Å | ||
| 237 | P | 89.6 | Confident | 90.6 | Very high | 71 Ų | 71 | 90.4 Ų | 90.4 | 46% | 0.461 | 46% | 0.459 | S | S | . | . | trans | -64 | 141.8 | 173.4 | 28.1 | -34.6 | 0 | 0 | 0 | 109.3 | T239 I240 N266 | P237-T239 WeakPolarHBondContact CB-O 3.25Å; P237-T239 PolarHBondContact O-N 3.09Å; P237-I240 HydrophobicContact CG-CG2 3.85Å; P237-N266 WeakPolarHBondContact O-CB 3.41Å; P237-N266 PolarHBondContact O-ND2 2.75Å | ||
| 238 | K | 91 | Very high | 90.5 | Very high | 134 Ų | 134 | 86.7 Ų | 86.7 | 58% | 0.583 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -58.2 | -32.3 | 178 | -175.3 | 177.3 | 178.8 | -177 | 0 | 112.1 | N266 Y269 | K238-N266 PolarHBondContact O-N 2.91Å; K238-Y269 HydrophobicContact CB-CD1 4.2Å; K238-Y269 HydrophobicContact CB-CD2 4.4Å; K238-Y269 HydrophobicContact CB-CE1 4.19Å; K238-Y269 HydrophobicContact CB-CE2 4.37Å; K238-Y269 HydrophobicContact CB-CG 4.3Å; K238-Y269 HydrophobicContact CD-CE1 4.3Å; K238-Y269 HydrophobicContact CG-CD1 3.93Å; K238-Y269 HydrophobicContact CG-CE1 3.92Å; K238-Y269 HydrophobicContact CG-CG 4.47Å |
| 239 | T | 92 | Very high | 90.3 | Very high | 47 Ų | 47 | 93.7 Ų | 93.7 | 29% | 0.288 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.2 | 179.8 | 56.3 | 0 | 0 | 0 | 0 | 111.1 | P237 Q263 K264 | P237-T239 WeakPolarHBondContact CB-O 3.25Å; P237-T239 PolarHBondContact O-N 3.09Å; T239-Q263 PolarHBondContact OG1-OE1 3.22Å; T239-K264 CarbonylContact C-O 3.57Å; T239-K264 VanDerWaalsContact CA-O 3.23Å; T239-K264 WeakPolarHBondContact CA-O 3.28Å |
| 240 | I | 91.5 | Very high | 90.1 | Very high | 51 Ų | 51 | 92 Ų | 92 | 26% | 0.262 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 152.6 | 174 | 54 | 174 | 0 | 0 | 0 | 109.6 | P237 D242 Q263 K264 N266 | P237-I240 HydrophobicContact CG-CG2 3.85Å; I240-D242 PolarHBondContact O-N 3.13Å; I240-Q263 CarbonylContact O-C 3.4Å; I240-Q263 WeakPolarHBondContact O-CA 3.33Å; I240-K264 HydrophobicContact CG1-CG 4.14Å; I240-K264 PolarHBondContact N-O 2.93Å; I240-K264 PolarHBondContact O-N 3.33Å; I240-N266 HydrophobicContact CD1-CB 4.46Å; I240-N266 HydrophobicContact CG1-CB 4.14Å; I240-N266 HydrophobicContact CG2-CB 3.94Å |
| 241 | P | 92.1 | Very high | 90 | Very high | 63 Ų | 63 | 92.6 Ų | 92.6 | 41% | 0.409 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 133.4 | 176.2 | -17.5 | 30.4 | 0 | 0 | 0 | 111.3 | M243 R261 | P241-M243 HydrophobicContact CB-CE 3.6Å; P241-M243 HydrophobicContact CG-CE 4.45Å; P241-M243 WeakPolarHBondContact O-CE 3.42Å; P241-M243 PolarHBondContact O-N 2.84Å; P241-M243 VanDerWaalsContact O-N 3.07Å; P241-R261 HydrophobicContact CB-CG 4.31Å |
| 242 | D | 91.5 | Very high | 89.8 | Confident | 39 Ų | 39 | 93.8 Ų | 93.8 | 21% | 0.209 | 48% | 0.482 | C | S | . | . | trans | -76.3 | 95.1 | -178.5 | -173.9 | 8.4 | 0 | 0 | 0 | 111.7 | I240 D244 A245 R261 P262 K264 | I240-D242 PolarHBondContact O-N 3.13Å; D242-D244 PolarHBondContact O-N 3.46Å; D242-D244 VanDerWaalsContact O-N 3.12Å; D242-D244 PolarHBondContact OD1-N 3.06Å; D242-A245 HydrophobicContact CB-CB 4.12Å; D242-A245 VanDerWaalsContact O-CB 3.31Å; D242-A245 WeakPolarHBondContact O-CB 3.31Å; D242-A245 PolarHBondContact O-N 2.93Å; D242-R261 WeakPolarHBondContact O-CD 3.38Å; D242-R261 VanDerWaalsContact O-CG 3.26Å; D242-R261 WeakPolarHBondContact O-CG 3.46Å; D242-R261 PolarHBondContact O-NH1 2.67Å; D242-P262 HydrophobicContact CB-CG 4.49Å; D242-P262 WeakPolarHBondContact CB-O 3.44Å; D242-P262 PolarHBondContact N-O 3.35Å; D242-K264 HydrophobicContact CB-CB 4.14Å; D242-K264 HydrophobicContact CB-CD 3.88Å; D242-K264 HydrophobicContact CB-CG 3.92Å; D242-K264 WeakPolarHBondContact OD1-CD 3.32Å; D242-K264 WeakPolarHBondContact OD1-CE 3.23Å; D242-K264 IonicContact OD1-NZ 3.81Å; D242-K264 PolarHBondContact OD1-NZ 3.39Å | ||
| 243 | M | 90.1 | Very high | 89.9 | Confident | 121 Ų | 121 | 88.7 Ų | 88.7 | 60% | 0.596 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.3 | -177.4 | -68.9 | -60.7 | 108.9 | 0 | 0 | 114.1 | P241 R261 | P241-M243 HydrophobicContact CB-CE 3.6Å; P241-M243 HydrophobicContact CG-CE 4.45Å; P241-M243 WeakPolarHBondContact O-CE 3.42Å; P241-M243 PolarHBondContact O-N 2.84Å; P241-M243 VanDerWaalsContact O-N 3.07Å; M243-R261 VanDerWaalsContact CA-NH1 3.33Å; M243-R261 PolarHBondContact O-NH1 2.98Å |
| 244 | D | 89.7 | Confident | 89.8 | Confident | 127 Ų | 127 | 88.9 Ų | 88.9 | 68% | 0.679 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -17.2 | 179.2 | -59.2 | -55.7 | 0 | 0 | 0 | 112.5 | D242 K246 K264 | D242-D244 PolarHBondContact O-N 3.46Å; D242-D244 VanDerWaalsContact O-N 3.12Å; D242-D244 PolarHBondContact OD1-N 3.06Å; D244-K246 PolarHBondContact O-N 3.47Å; D244-K264 IonicContact OD2-NZ 3.89Å; D244-K264 PolarHBondContact OD2-NZ 2.83Å |
| 245 | A | 89 | Confident | 89.7 | Confident | 19 Ų | 19 | 93.4 Ų | 93.4 | 16% | 0.157 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 120.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | D242 R261 P262 | D242-A245 HydrophobicContact CB-CB 4.12Å; D242-A245 VanDerWaalsContact O-CB 3.31Å; D242-A245 WeakPolarHBondContact O-CB 3.31Å; D242-A245 PolarHBondContact O-N 2.93Å; A245-R261 HydrophobicContact CB-CG 4.4Å; A245-R261 PolarHBondContact O-NH1 3.35Å; A245-P262 HydrophobicContact CB-CG 3.52Å |
| 246 | K | 89.4 | Confident | 89.6 | Confident | 185 Ų | 185 | 92.5 Ų | 92.5 | 80% | 0.804 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -93.9 | 141.1 | 171.1 | -66.7 | -179.3 | -178.3 | 176.3 | 0 | 108.5 | D244 P248 | D244-K246 PolarHBondContact O-N 3.47Å; K246-P248 WeakPolarHBondContact O-CD 3.46Å |
| 247 | K | 89.5 | Confident | 89.6 | Confident | 74 Ų | 74 | 90.9 Ų | 90.9 | 32% | 0.322 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 125.8 | 168.4 | -178.8 | 172.4 | 173.4 | 172.1 | 0 | 107.9 | W251 D253 W259 | K247-W251 HydrophobicContact CD-CB 4.38Å; K247-W251 HydrophobicContact CD-CG 4.42Å; K247-W251 HydrophobicContact CG-CB 3.87Å; K247-W251 HydrophobicContact CG-CG 4.14Å; K247-D253 IonicContact NZ-OD1 2.81Å; K247-D253 PolarHBondContact NZ-OD1 3.15Å; K247-D253 IonicContact NZ-OD2 3.93Å; K247-D253 PolarHBondContact NZ-OD2 3.4Å; K247-W259 HydrophobicContact CB-CD2 3.72Å; K247-W259 HydrophobicContact CB-CE3 3.93Å; K247-W259 HydrophobicContact CB-CG 4.14Å; K247-W259 HydrophobicContact CB-CH2 4.39Å; K247-W259 HydrophobicContact CB-CZ2 4.22Å; K247-W259 HydrophobicContact CB-CZ3 4.25Å; K247-W259 HydrophobicContact CD-CB 3.8Å; K247-W259 HydrophobicContact CD-CD2 4.24Å; K247-W259 HydrophobicContact CD-CE3 4.46Å; K247-W259 HydrophobicContact CD-CG 3.96Å; K247-W259 HydrophobicContact CG-CB 4.11Å; K247-W259 HydrophobicContact CG-CD2 3.88Å; K247-W259 HydrophobicContact CG-CE3 4.39Å; K247-W259 HydrophobicContact CG-CG 3.73Å |
| 248 | P | 89.9 | Confident | 89.6 | Confident | 57 Ų | 57 | 95.1 Ų | 95.1 | 37% | 0.37 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 141.2 | 176.7 | -27.1 | 36.1 | 0 | 0 | 0 | 111.2 | K246 D250 W251 | K246-P248 WeakPolarHBondContact O-CD 3.46Å; P248-D250 WeakPolarHBondContact CB-OD1 3.28Å; P248-D250 PolarHBondContact O-N 3.27Å; P248-D250 VanDerWaalsContact O-N 3.14Å; P248-W251 HydrophobicContact CB-CB 4.4Å; P248-W251 HydrophobicContact CG-CE3 4.24Å; P248-W251 WeakPolarHBondContact O-CB 3.45Å; P248-W251 PolarHBondContact O-N 3.12Å; P248-W251 VanDerWaalsContact O-N 3.11Å |
| 249 | D | 89 | Confident | 89.6 | Confident | 180 Ų | 180 | 91.5 Ų | 91.5 | 96% | 0.963 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.6 | 179.7 | -69.9 | -29.9 | 0 | 0 | 0 | 112.4 | ||
| 250 | D | 88.6 | Confident | 89.3 | Confident | 138 Ų | 138 | 97.3 Ų | 97.3 | 74% | 0.738 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 4 | 178.6 | 67.1 | -15.3 | 0 | 0 | 0 | 114.4 | P248 D252 | P248-D250 WeakPolarHBondContact CB-OD1 3.28Å; P248-D250 PolarHBondContact O-N 3.27Å; P248-D250 VanDerWaalsContact O-N 3.14Å; D250-D252 PolarHBondContact O-N 3.23Å |
| 251 | W | 89.9 | Confident | 89.3 | Confident | 83 Ų | 83 | 98.9 Ų | 98.9 | 31% | 0.314 | 51% | 0.513 | S | S | . | . | trans | -75.2 | 122.5 | -178.4 | -169.3 | -71.9 | 0 | 0 | 0 | 112.6 | K247 P248 D256 G257 W259 | K247-W251 HydrophobicContact CD-CB 4.38Å; K247-W251 HydrophobicContact CD-CG 4.42Å; K247-W251 HydrophobicContact CG-CB 3.87Å; K247-W251 HydrophobicContact CG-CG 4.14Å; P248-W251 HydrophobicContact CB-CB 4.4Å; P248-W251 HydrophobicContact CG-CE3 4.24Å; P248-W251 WeakPolarHBondContact O-CB 3.45Å; P248-W251 PolarHBondContact O-N 3.12Å; P248-W251 VanDerWaalsContact O-N 3.11Å; W251-D256 HydrophobicContact CD2-CB 4.13Å; W251-D256 HydrophobicContact CH2-CB 4.36Å; W251-D256 HydrophobicContact CZ2-CB 3.78Å; W251-G257 PolarHBondContact NE1-O 3.11Å; W251-W259 HydrophobicContact CD2-CB 4.23Å; W251-W259 AromaticContact CD2-CD1 3.54Å; W251-W259 HydrophobicContact CD2-CG 4.23Å; W251-W259 AromaticContact CE2-CD1 3.61Å; W251-W259 AromaticContact CE3-CD1 3.69Å; W251-W259 HydrophobicContact CG-CB 4.31Å; W251-W259 AromaticContact CH2-CD1 3.94Å; W251-W259 HydrophobicContact CZ2-CB 4.23Å; W251-W259 AromaticContact CZ2-CD1 3.81Å; W251-W259 HydrophobicContact CZ2-CG 4.44Å; W251-W259 AromaticContact CZ3-CD1 3.89Å | ||
| 252 | D | 87.9 | Confident | 89.2 | Confident | 80 Ų | 80 | 99 Ų | 99 | 43% | 0.428 | 51% | 0.514 | S | S | . | . | trans | -109.4 | 109.2 | 178.4 | -179.5 | -2.3 | 0 | 0 | 0 | 110.9 | D250 A254 M255 D256 | D250-D252 PolarHBondContact O-N 3.23Å; D252-A254 PolarHBondContact O-N 3.03Å; D252-A254 VanDerWaalsContact O-N 3.07Å; D252-A254 WeakPolarHBondContact OD1-CB 3.47Å; D252-A254 PolarHBondContact OD1-N 2.64Å; D252-M255 HydrophobicContact CB-CB 4.2Å; D252-M255 HydrophobicContact CB-CG 4.48Å; D252-M255 PolarHBondContact O-N 3Å; D252-M255 WeakPolarHBondContact OD2-CG 3.23Å; D252-D256 PolarHBondContact N-OD2 2.72Å; D252-D256 WeakPolarHBondContact O-CB 3.5Å; D252-D256 PolarHBondContact O-N 2.71Å | ||
| 253 | D | 89.6 | Confident | 89.3 | Confident | 66 Ų | 66 | 103.5 Ų | 103.5 | 35% | 0.353 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.8 | -177.5 | -60.8 | -46.7 | 0 | 0 | 0 | 113.3 | K247 G257 W259 | K247-D253 IonicContact NZ-OD1 2.81Å; K247-D253 PolarHBondContact NZ-OD1 3.15Å; K247-D253 IonicContact NZ-OD2 3.93Å; K247-D253 PolarHBondContact NZ-OD2 3.4Å; D253-G257 WeakPolarHBondContact CA-O 3.37Å; D253-G257 CarbonylContact O-C 3.56Å; D253-G257 VanDerWaalsContact O-CA 3.28Å; D253-G257 WeakPolarHBondContact O-CA 3.42Å; D253-G257 PolarHBondContact O-N 2.81Å; D253-W259 PolarHBondContact OD1-N 2.93Å |
| 254 | A | 86.9 | Confident | 89.5 | Confident | 92 Ų | 92 | 101.2 Ų | 101.2 | 76% | 0.76 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -27.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | D252 | D252-A254 PolarHBondContact O-N 3.03Å; D252-A254 VanDerWaalsContact O-N 3.07Å; D252-A254 WeakPolarHBondContact OD1-CB 3.47Å; D252-A254 PolarHBondContact OD1-N 2.64Å |
| 255 | M | 88.3 | Confident | 89.6 | Confident | 153 Ų | 153 | 101 Ų | 101 | 75% | 0.754 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -42.4 | -177.4 | -67.9 | -64.9 | -63.9 | 0 | 0 | 112.5 | D252 | D252-M255 HydrophobicContact CB-CB 4.2Å; D252-M255 HydrophobicContact CB-CG 4.48Å; D252-M255 PolarHBondContact O-N 3Å; D252-M255 WeakPolarHBondContact OD2-CG 3.23Å |
| 256 | D | 86.3 | Confident | 89.7 | Confident | 96 Ų | 96 | 100.8 Ų | 100.8 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -11 | -174.3 | -56.6 | -49.3 | 0 | 0 | 0 | 112.9 | W251 D252 | W251-D256 HydrophobicContact CD2-CB 4.13Å; W251-D256 HydrophobicContact CH2-CB 4.36Å; W251-D256 HydrophobicContact CZ2-CB 3.78Å; D252-D256 PolarHBondContact N-OD2 2.72Å; D252-D256 WeakPolarHBondContact O-CB 3.5Å; D252-D256 PolarHBondContact O-N 2.71Å |
| 257 | G | 89.8 | Confident | 89.8 | Confident | 32 Ų | 32 | 97.2 Ų | 97.2 | 33% | 0.33 | 51% | 0.511 | S | S | . | . | trans | 84.7 | 172.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | W251 D253 W259 | W251-G257 PolarHBondContact NE1-O 3.11Å; D253-G257 WeakPolarHBondContact CA-O 3.37Å; D253-G257 CarbonylContact O-C 3.56Å; D253-G257 VanDerWaalsContact O-CA 3.28Å; D253-G257 WeakPolarHBondContact O-CA 3.42Å; D253-G257 PolarHBondContact O-N 2.81Å; G257-W259 PolarHBondContact O-N 3.29Å; G257-W259 VanDerWaalsContact O-N 3.11Å | ||
| 258 | E | 89.9 | Confident | 89.9 | Confident | 160 Ų | 160 | 99 Ų | 99 | 75% | 0.748 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -54.3 | 118.6 | 175.1 | -69.2 | -73.8 | 157.3 | 0 | 0 | 109.6 | E260 | E258-E260 PolarHBondContact O-N 3.49Å; E258-E260 VanDerWaalsContact O-N 3.09Å |
| 259 | W | 89.9 | Confident | 90 | Very high | 58 Ų | 58 | 100.9 Ų | 100.9 | 22% | 0.22 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 116.2 | -178.2 | 179.2 | 73.4 | 0 | 0 | 0 | 111.6 | K247 W251 D253 G257 R261 | K247-W259 HydrophobicContact CB-CD2 3.72Å; K247-W259 HydrophobicContact CB-CE3 3.93Å; K247-W259 HydrophobicContact CB-CG 4.14Å; K247-W259 HydrophobicContact CB-CH2 4.39Å; K247-W259 HydrophobicContact CB-CZ2 4.22Å; K247-W259 HydrophobicContact CB-CZ3 4.25Å; K247-W259 HydrophobicContact CD-CB 3.8Å; K247-W259 HydrophobicContact CD-CD2 4.24Å; K247-W259 HydrophobicContact CD-CE3 4.46Å; K247-W259 HydrophobicContact CD-CG 3.96Å; K247-W259 HydrophobicContact CG-CB 4.11Å; K247-W259 HydrophobicContact CG-CD2 3.88Å; K247-W259 HydrophobicContact CG-CE3 4.39Å; K247-W259 HydrophobicContact CG-CG 3.73Å; W251-W259 HydrophobicContact CD2-CB 4.23Å; W251-W259 AromaticContact CD2-CD1 3.54Å; W251-W259 HydrophobicContact CD2-CG 4.23Å; W251-W259 AromaticContact CE2-CD1 3.61Å; W251-W259 AromaticContact CE3-CD1 3.69Å; W251-W259 HydrophobicContact CG-CB 4.31Å; W251-W259 AromaticContact CH2-CD1 3.94Å; W251-W259 HydrophobicContact CZ2-CB 4.23Å; W251-W259 AromaticContact CZ2-CD1 3.81Å; W251-W259 HydrophobicContact CZ2-CG 4.44Å; W251-W259 AromaticContact CZ3-CD1 3.89Å; D253-W259 PolarHBondContact OD1-N 2.93Å; G257-W259 PolarHBondContact O-N 3.29Å; G257-W259 VanDerWaalsContact O-N 3.11Å; W259-R261 HydrophobicContact CH2-CB 3.85Å; W259-R261 HydrophobicContact CH2-CG 4.03Å; W259-R261 HydrophobicContact CZ2-CB 4.32Å; W259-R261 HydrophobicContact CZ3-CB 4.11Å |
| 260 | E | 87.2 | Confident | 90 | Very high | 170 Ų | 170 | 96.9 Ų | 96.9 | 79% | 0.794 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -97.1 | 127.9 | 169.8 | -67.2 | -171.1 | 174.8 | 0 | 0 | 110.3 | E258 | E258-E260 PolarHBondContact O-N 3.49Å; E258-E260 VanDerWaalsContact O-N 3.09Å |
| 261 | R | 90 | Very high | 90.1 | Very high | 83 Ų | 83 | 91.4 Ų | 91.4 | 31% | 0.313 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -61 | 131.9 | 178.6 | -177.4 | -175.2 | -70.5 | -74.2 | -1.6 | 110.2 | P241 D242 M243 A245 W259 | P241-R261 HydrophobicContact CB-CG 4.31Å; D242-R261 WeakPolarHBondContact O-CD 3.38Å; D242-R261 VanDerWaalsContact O-CG 3.26Å; D242-R261 WeakPolarHBondContact O-CG 3.46Å; D242-R261 PolarHBondContact O-NH1 2.67Å; M243-R261 VanDerWaalsContact CA-NH1 3.33Å; M243-R261 PolarHBondContact O-NH1 2.98Å; A245-R261 HydrophobicContact CB-CG 4.4Å; A245-R261 PolarHBondContact O-NH1 3.35Å; W259-R261 HydrophobicContact CH2-CB 3.85Å; W259-R261 HydrophobicContact CH2-CG 4.03Å; W259-R261 HydrophobicContact CZ2-CB 4.32Å; W259-R261 HydrophobicContact CZ3-CB 4.11Å |
| 262 | P | 92 | Very high | 90 | Very high | 66 Ų | 66 | 96.1 Ų | 96.1 | 43% | 0.429 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 145.3 | 179 | 25.4 | -33.9 | 0 | 0 | 0 | 110.7 | D242 A245 | D242-P262 HydrophobicContact CB-CG 4.49Å; D242-P262 WeakPolarHBondContact CB-O 3.44Å; D242-P262 PolarHBondContact N-O 3.35Å; A245-P262 HydrophobicContact CB-CG 3.52Å |
| 263 | Q | 93.5 | Very high | 90.2 | Very high | 133 Ų | 133 | 95.4 Ų | 95.4 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 138.4 | 172.3 | -59.4 | -160 | -35.4 | 0 | 0 | 110.1 | T239 I240 | T239-Q263 PolarHBondContact OG1-OE1 3.22Å; I240-Q263 CarbonylContact O-C 3.4Å; I240-Q263 WeakPolarHBondContact O-CA 3.33Å |
| 264 | K | 92.7 | Very high | 90.3 | Very high | 74 Ų | 74 | 97.6 Ų | 97.6 | 32% | 0.322 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 157.6 | 169.1 | 65.4 | 176.9 | 172.5 | -158.5 | 0 | 110.6 | T239 I240 D242 D244 N266 | T239-K264 CarbonylContact C-O 3.57Å; T239-K264 VanDerWaalsContact CA-O 3.23Å; T239-K264 WeakPolarHBondContact CA-O 3.28Å; I240-K264 HydrophobicContact CG1-CG 4.14Å; I240-K264 PolarHBondContact N-O 2.93Å; I240-K264 PolarHBondContact O-N 3.33Å; D242-K264 HydrophobicContact CB-CB 4.14Å; D242-K264 HydrophobicContact CB-CD 3.88Å; D242-K264 HydrophobicContact CB-CG 3.92Å; D242-K264 WeakPolarHBondContact OD1-CD 3.32Å; D242-K264 WeakPolarHBondContact OD1-CE 3.23Å; D242-K264 IonicContact OD1-NZ 3.81Å; D242-K264 PolarHBondContact OD1-NZ 3.39Å; D244-K264 IonicContact OD2-NZ 3.89Å; D244-K264 PolarHBondContact OD2-NZ 2.83Å; K264-N266 PolarHBondContact O-N 3.17Å |
| 265 | D | 92.3 | Very high | 90.6 | Very high | 121 Ų | 121 | 94.7 Ų | 94.7 | 65% | 0.647 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 133.8 | 172.9 | -69.6 | -39.8 | 0 | 0 | 0 | 110 | P267 | D265-P267 VanDerWaalsContact O-CD 3.26Å; D265-P267 WeakPolarHBondContact O-CD 3.09Å |
| 266 | N | 92.1 | Very high | 90.8 | Very high | 15 Ų | 15 | 94.7 Ų | 94.7 | 8% | 0.08 | 47% | 0.469 | C | S | . | . | trans | -79 | 115.2 | 178 | -174.4 | -3.8 | 0 | 0 | 0 | 109.7 | P237 K238 I240 K264 E268 Y269 | P237-N266 WeakPolarHBondContact O-CB 3.41Å; P237-N266 PolarHBondContact O-ND2 2.75Å; K238-N266 PolarHBondContact O-N 2.91Å; I240-N266 HydrophobicContact CD1-CB 4.46Å; I240-N266 HydrophobicContact CG1-CB 4.14Å; I240-N266 HydrophobicContact CG2-CB 3.94Å; K264-N266 PolarHBondContact O-N 3.17Å; N266-E268 PolarHBondContact O-N 3.46Å; N266-E268 VanDerWaalsContact O-N 3.08Å; N266-E268 WeakPolarHBondContact OD1-CB 3.18Å; N266-E268 PolarHBondContact OD1-N 2.85Å; N266-Y269 WeakPolarHBondContact O-CB 3.14Å; N266-Y269 PolarHBondContact O-N 2.76Å | ||
| 267 | P | 90.6 | Very high | 91.3 | Very high | 111 Ų | 111 | 97.1 Ų | 97.1 | 72% | 0.721 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.4 | 178.9 | -21.8 | 34.5 | 0 | 0 | 0 | 113.4 | D265 | D265-P267 VanDerWaalsContact O-CD 3.26Å; D265-P267 WeakPolarHBondContact O-CD 3.09Å |
| 268 | E | 90.8 | Very high | 91.5 | Very high | 110 Ų | 110 | 98.6 Ų | 98.6 | 51% | 0.514 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -3.6 | 179.2 | -59.2 | -63.8 | 145.5 | 0 | 0 | 113.4 | Q236 N266 K270 | Q236-E268 HydrophobicContact CB-CB 4.34Å; Q236-E268 HydrophobicContact CG-CB 3.84Å; Q236-E268 WeakPolarHBondContact CG-O 3.42Å; N266-E268 PolarHBondContact O-N 3.46Å; N266-E268 VanDerWaalsContact O-N 3.08Å; N266-E268 WeakPolarHBondContact OD1-CB 3.18Å; N266-E268 PolarHBondContact OD1-N 2.85Å; E268-K270 PolarHBondContact O-N 2.81Å |
| 269 | Y | 92.1 | Very high | 91.8 | Very high | 98 Ų | 98 | 96.4 Ų | 96.4 | 38% | 0.384 | 46% | 0.464 | S | S | . | . | trans | -72.9 | 113.9 | 177.1 | -180 | -114.3 | 0 | 0 | 0 | 111.6 | Q236 K238 N266 | Q236-Y269 WeakPolarHBondContact O-CD2 3.4Å; K238-Y269 HydrophobicContact CB-CD1 4.2Å; K238-Y269 HydrophobicContact CB-CD2 4.4Å; K238-Y269 HydrophobicContact CB-CE1 4.19Å; K238-Y269 HydrophobicContact CB-CE2 4.37Å; K238-Y269 HydrophobicContact CB-CG 4.3Å; K238-Y269 HydrophobicContact CD-CE1 4.3Å; K238-Y269 HydrophobicContact CG-CD1 3.93Å; K238-Y269 HydrophobicContact CG-CE1 3.92Å; K238-Y269 HydrophobicContact CG-CG 4.47Å; N266-Y269 WeakPolarHBondContact O-CB 3.14Å; N266-Y269 PolarHBondContact O-N 2.76Å | ||
| 270 | K | 89.6 | Confident | 92.1 | Very high | 96 Ų | 96 | 94.4 Ų | 94.4 | 42% | 0.417 | 46% | 0.458 | S | S | . | . | trans | -100.7 | 6.6 | -175.8 | -65.2 | 173 | -173.3 | 170.4 | 0 | 114.4 | W234 E268 | W234-K270 HydrophobicContact CD2-CB 3.96Å; W234-K270 HydrophobicContact CD2-CD 4.09Å; W234-K270 HydrophobicContact CE3-CB 4.3Å; W234-K270 HydrophobicContact CE3-CD 3.72Å; W234-K270 HydrophobicContact CH2-CB 3.93Å; W234-K270 HydrophobicContact CH2-CD 4.24Å; W234-K270 HydrophobicContact CZ2-CB 3.53Å; W234-K270 WeakPolarHBondContact CZ2-O 3.3Å; W234-K270 HydrophobicContact CZ3-CB 4.28Å; W234-K270 HydrophobicContact CZ3-CD 3.8Å; E268-K270 PolarHBondContact O-N 2.81Å | ||
| 271 | G | 90.5 | Very high | 92.4 | Very high | 23 Ų | 23 | 91.9 Ų | 91.9 | 24% | 0.237 | 46% | 0.456 | C | S | . | . | trans | 79.5 | -170.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | W234 W273 | W234-G271 PolarHBondContact NE1-O 3.22Å; G271-W273 PolarHBondContact O-N 3.02Å | ||
| 272 | E | 89.1 | Confident | 92.7 | Very high | 181 Ų | 181 | 94.8 Ų | 94.8 | 85% | 0.846 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -69.5 | 124.2 | 177.2 | -64.8 | -171.5 | 151.9 | 0 | 0 | 110.2 | ||
| 273 | W | 91.9 | Very high | 92.8 | Very high | 65 Ų | 65 | 94.9 Ų | 94.9 | 25% | 0.246 | 46% | 0.463 | C | S | . | . | trans | -73 | 133.5 | 177.8 | -178.9 | 79.4 | 0 | 0 | 0 | 110.3 | D228 K230 W234 G271 P275 | D228-W273 WeakPolarHBondContact O-CH2 3.29Å; K230-W273 HydrophobicContact CB-CD2 3.66Å; K230-W273 HydrophobicContact CB-CE3 3.85Å; K230-W273 HydrophobicContact CB-CG 4.15Å; K230-W273 HydrophobicContact CB-CH2 4.19Å; K230-W273 HydrophobicContact CB-CZ2 4.04Å; K230-W273 HydrophobicContact CB-CZ3 4.1Å; K230-W273 HydrophobicContact CD-CB 3.88Å; K230-W273 HydrophobicContact CD-CD2 4.03Å; K230-W273 HydrophobicContact CD-CE3 4.09Å; K230-W273 HydrophobicContact CD-CG 3.96Å; K230-W273 HydrophobicContact CG-CB 4.07Å; K230-W273 HydrophobicContact CG-CD2 3.73Å; K230-W273 HydrophobicContact CG-CE3 4.17Å; K230-W273 HydrophobicContact CG-CG 3.68Å; W234-W273 HydrophobicContact CD2-CB 4.24Å; W234-W273 AromaticContact CD2-CD1 3.79Å; W234-W273 HydrophobicContact CD2-CG 4.37Å; W234-W273 AromaticContact CE2-CD1 3.86Å; W234-W273 HydrophobicContact CG-CB 4.15Å; W234-W273 HydrophobicContact CG-CG 4.5Å; W234-W273 HydrophobicContact CZ2-CB 4.48Å; G271-W273 PolarHBondContact O-N 3.02Å; W273-P275 HydrophobicContact CE3-CG 4.43Å; W273-P275 HydrophobicContact CH2-CB 3.77Å; W273-P275 HydrophobicContact CH2-CG 3.56Å; W273-P275 HydrophobicContact CZ2-CB 4.18Å; W273-P275 HydrophobicContact CZ2-CG 4.36Å; W273-P275 HydrophobicContact CZ3-CB 4.3Å; W273-P275 HydrophobicContact CZ3-CG 3.6Å | ||
| 274 | T | 90.4 | Very high | 92.8 | Very high | 112 Ų | 112 | 94.6 Ų | 94.6 | 69% | 0.687 | 46% | 0.46 | S | S | * | . | trans | -120.8 | 137.9 | 167.4 | 47.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 275 | P | 93.3 | Very high | 92.8 | Very high | 32 Ų | 32 | 92.1 Ų | 92.1 | 21% | 0.208 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 150.1 | 173.6 | -15.6 | 25.7 | 0 | 0 | 0 | 110.7 | D224 W273 | D224-P275 HydrophobicContact CB-CB 3.86Å; D224-P275 HydrophobicContact CB-CG 4.01Å; W273-P275 HydrophobicContact CE3-CG 4.43Å; W273-P275 HydrophobicContact CH2-CB 3.77Å; W273-P275 HydrophobicContact CH2-CG 3.56Å; W273-P275 HydrophobicContact CZ2-CB 4.18Å; W273-P275 HydrophobicContact CZ2-CG 4.36Å; W273-P275 HydrophobicContact CZ3-CB 4.3Å; W273-P275 HydrophobicContact CZ3-CG 3.6Å |
| 276 | R | 93.7 | Very high | 92.9 | Very high | 153 Ų | 153 | 93.6 Ų | 93.6 | 58% | 0.577 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -59 | 147.7 | 167.5 | -66.4 | 178.5 | -49.2 | -164.4 | 6.3 | 109.8 | D225 D228 | D225-R276 HydrophobicContact CB-CB 4.38Å; D225-R276 VanDerWaalsContact CB-O 3.23Å; D225-R276 WeakPolarHBondContact CB-O 3Å; D225-R276 PolarHBondContact N-O 3.17Å; D225-R276 IonicContact OD2-CZ 2.83Å; D225-R276 IonicContact OD2-NE 3.66Å; D225-R276 IonicContact OD2-NH2 3.33Å; D225-R276 PolarHBondContact OD2-NH2 2.81Å; D228-R276 IonicContact OD1-CZ 3.36Å; D228-R276 IonicContact OD1-NE 3.93Å; D228-R276 IonicContact OD1-NH2 2.75Å; D228-R276 VanDerWaalsContact OD2-CG 3.32Å; D228-R276 WeakPolarHBondContact OD2-CG 3.05Å; D228-R276 PolarHBondContact OD2-N 2.93Å; D228-R276 IonicContact OD2-NE 2.68Å |
| 277 | R | 95.6 | Very high | 93 | Very high | 147 Ų | 147 | 96.1 Ų | 96.1 | 56% | 0.555 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135.1 | 173.7 | -58.1 | -166 | 73.6 | 176.2 | 5.2 | 110.9 | F222 I223 | F222-R277 HydrophobicContact CB-CB 4.22Å; F222-R277 PolarHBondContact O-NH2 2.78Å; I223-R277 CarbonylContact O-C 3.54Å; I223-R277 VanDerWaalsContact O-CA 3.27Å; I223-R277 WeakPolarHBondContact O-CA 3.31Å |
| 278 | I | 95.7 | Very high | 93.2 | Very high | 63 Ų | 63 | 98.3 Ų | 98.3 | 32% | 0.323 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 159.6 | 175 | 58.1 | 169.6 | 0 | 0 | 0 | 110.3 | F222 I223 D225 N280 | F222-I278 CarbonylContact C-O 3.58Å; F222-I278 VanDerWaalsContact CA-O 3.25Å; F222-I278 WeakPolarHBondContact CA-O 3.39Å; I223-I278 HydrophobicContact CG1-CG1 4.01Å; I223-I278 PolarHBondContact N-O 2.92Å; I223-I278 PolarHBondContact O-N 3.15Å; D225-I278 HydrophobicContact CB-CD1 4.33Å; D225-I278 HydrophobicContact CB-CG1 4.24Å; D225-I278 HydrophobicContact CB-CG2 3.81Å; I278-N280 PolarHBondContact O-N 2.71Å |
| 279 | D | 96 | Very high | 93.4 | Very high | 113 Ų | 113 | 94.4 Ų | 94.4 | 60% | 0.604 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 131.4 | 172.8 | -69.7 | -45 | 0 | 0 | 0 | 110.3 | F222 P281 | F222-D279 WeakPolarHBondContact CE1-OD1 3.44Å; D279-P281 VanDerWaalsContact O-CD 3.25Å; D279-P281 WeakPolarHBondContact O-CD 3.39Å |
| 280 | N | 95.4 | Very high | 93.5 | Very high | 16 Ų | 16 | 93.9 Ų | 93.9 | 9% | 0.086 | 46% | 0.456 | C | S | . | . | trans | -76.1 | 113.7 | 176.5 | -174.2 | -14.1 | 0 | 0 | 0 | 109.6 | V218 E220 Q221 I223 I278 K282 Y283 | V218-N280 WeakPolarHBondContact CG1-ND2 3.42Å; E220-N280 WeakPolarHBondContact O-CB 3.44Å; E220-N280 PolarHBondContact O-ND2 3.37Å; Q221-N280 WeakPolarHBondContact O-CB 3.3Å; Q221-N280 PolarHBondContact O-N 3.21Å; I223-N280 HydrophobicContact CG1-CB 4.22Å; I223-N280 HydrophobicContact CG2-CB 3.88Å; I223-N280 WeakPolarHBondContact CG2-ND2 3.18Å; I278-N280 PolarHBondContact O-N 2.71Å; N280-K282 PolarHBondContact O-N 2.82Å; N280-K282 WeakPolarHBondContact OD1-CB 3.27Å; N280-K282 PolarHBondContact OD1-N 3.16Å; N280-Y283 WeakPolarHBondContact O-CB 3.44Å; N280-Y283 PolarHBondContact O-N 2.06Å | ||
| 281 | P | 94.4 | Very high | 93.8 | Very high | 117 Ų | 117 | 93.8 Ų | 93.8 | 76% | 0.76 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -12.5 | -178 | 27.4 | -35.5 | 0 | 0 | 0 | 113.4 | D279 | D279-P281 VanDerWaalsContact O-CD 3.25Å; D279-P281 WeakPolarHBondContact O-CD 3.39Å |
| 282 | K | 94.4 | Very high | 94.1 | Very high | 145 Ų | 145 | 95.4 Ų | 95.4 | 63% | 0.63 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -10.3 | 175.8 | -62 | -177.9 | 179.5 | 177.5 | 0 | 113.7 | V218 N280 K284 | V218-K282 HydrophobicContact CB-CB 4.31Å; V218-K282 HydrophobicContact CG2-CB 3.71Å; V218-K282 HydrophobicContact CG2-CD 4.33Å; N280-K282 PolarHBondContact O-N 2.82Å; N280-K282 WeakPolarHBondContact OD1-CB 3.27Å; N280-K282 PolarHBondContact OD1-N 3.16Å; K282-K284 PolarHBondContact O-N 2.83Å |
| 283 | Y | 95.6 | Very high | 94.5 | Very high | 68 Ų | 68 | 92.1 Ų | 92.1 | 27% | 0.267 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -70 | 126 | 177.6 | 179.9 | -108 | 0 | 0 | 0 | 110 | V218 D219 Q221 N280 G285 E286 | V218-Y283 VanDerWaalsContact O-CD2 3.26Å; V218-Y283 WeakPolarHBondContact O-CD2 3.49Å; D219-Y283 WeakPolarHBondContact O-CE2 3.4Å; Q221-Y283 HydrophobicContact CB-CD1 3.99Å; Q221-Y283 HydrophobicContact CB-CD2 4.24Å; Q221-Y283 HydrophobicContact CB-CE1 3.88Å; Q221-Y283 HydrophobicContact CB-CE2 4.17Å; Q221-Y283 HydrophobicContact CB-CG 4.17Å; Q221-Y283 HydrophobicContact CG-CD1 3.86Å; Q221-Y283 HydrophobicContact CG-CE1 3.8Å; Q221-Y283 HydrophobicContact CG-CG 4.46Å; N280-Y283 WeakPolarHBondContact O-CB 3.44Å; N280-Y283 PolarHBondContact O-N 2.06Å; Y283-G285 WeakPolarHBondContact OH-CA 3.25Å; Y283-E286 PolarHBondContact OH-N 2.9Å |
| 284 | K | 92.8 | Very high | 94.7 | Very high | 127 Ų | 127 | 89.8 Ų | 89.8 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | trans | -112.7 | 13.8 | -177.4 | -65.7 | 172.8 | -172.5 | 165.7 | 0 | 112.5 | D216 W217 K282 | D216-K284 IonicContact OD2-NZ 3.71Å; W217-K284 HydrophobicContact CE3-CD 4.15Å; W217-K284 HydrophobicContact CH2-CB 3.56Å; W217-K284 HydrophobicContact CH2-CD 4.27Å; W217-K284 HydrophobicContact CZ2-CB 3.56Å; W217-K284 HydrophobicContact CZ3-CB 4.05Å; W217-K284 HydrophobicContact CZ3-CD 3.9Å; K282-K284 PolarHBondContact O-N 2.83Å | ||
| 285 | G | 93.7 | Very high | 95 | Very high | 22 Ų | 22 | 89.6 Ų | 89.6 | 23% | 0.227 | 44% | 0.441 | C | S | . | . | S | Bend | trans | 93.9 | 177.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W217 Y283 W287 | W217-G285 WeakPolarHBondContact CZ2-O 3.33Å; W217-G285 PolarHBondContact NE1-O 2.67Å; Y283-G285 WeakPolarHBondContact OH-CA 3.25Å; G285-W287 PolarHBondContact O-N 3.15Å |
| 286 | E | 93.9 | Very high | 95.1 | Very high | 152 Ų | 152 | 95 Ų | 95 | 71% | 0.71 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -65 | 126.1 | 171.7 | -63.9 | -177.6 | 160.4 | 0 | 0 | 110 | Y283 K288 | Y283-E286 PolarHBondContact OH-N 2.9Å; E286-K288 PolarHBondContact O-N 2.92Å |
| 287 | W | 94.4 | Very high | 95.2 | Very high | 68 Ų | 68 | 90.9 Ų | 90.9 | 26% | 0.258 | 45% | 0.448 | S | S | . | . | trans | -66.5 | 135 | 176.1 | 179.4 | 78.9 | 0 | 0 | 0 | 110.6 | K212 K213 W217 G285 P289 | K212-W287 VanDerWaalsContact C-CZ2 3.43Å; K213-W287 HydrophobicContact CB-CD2 3.54Å; K213-W287 HydrophobicContact CB-CE3 3.73Å; K213-W287 HydrophobicContact CB-CG 4.02Å; K213-W287 HydrophobicContact CB-CH2 4.12Å; K213-W287 HydrophobicContact CB-CZ2 4Å; K213-W287 HydrophobicContact CB-CZ3 4Å; K213-W287 HydrophobicContact CD-CB 3.92Å; K213-W287 HydrophobicContact CD-CD2 4.07Å; K213-W287 HydrophobicContact CD-CE3 4.13Å; K213-W287 HydrophobicContact CD-CG 3.98Å; K213-W287 HydrophobicContact CG-CB 4.05Å; K213-W287 HydrophobicContact CG-CD2 3.72Å; K213-W287 HydrophobicContact CG-CE3 4.16Å; K213-W287 HydrophobicContact CG-CG 3.64Å; W217-W287 HydrophobicContact CD2-CB 4.08Å; W217-W287 AromaticContact CD2-CD1 4Å; W217-W287 HydrophobicContact CD2-CG 4.41Å; W217-W287 HydrophobicContact CG-CB 4.14Å; W217-W287 HydrophobicContact CZ2-CB 4.25Å; G285-W287 PolarHBondContact O-N 3.15Å; W287-P289 HydrophobicContact CH2-CB 4.07Å; W287-P289 HydrophobicContact CH2-CG 3.57Å; W287-P289 HydrophobicContact CZ2-CB 4.3Å; W287-P289 HydrophobicContact CZ2-CG 4.21Å; W287-P289 HydrophobicContact CZ3-CG 3.8Å | ||
| 288 | K | 94.4 | Very high | 95.1 | Very high | 157 Ų | 157 | 91.9 Ų | 91.9 | 68% | 0.683 | 46% | 0.457 | S | S | * | . | trans | -131 | 138.2 | 171.3 | -65.1 | -176 | -179.1 | -179 | 0 | 109.2 | E286 | E286-K288 PolarHBondContact O-N 2.92Š| ||
| 289 | P | 94 | Very high | 95.1 | Very high | 28 Ų | 28 | 93.5 Ų | 93.5 | 18% | 0.182 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 146.8 | 174.2 | -19.4 | 28.6 | 0 | 0 | 0 | 112.2 | D207 D211 W287 Q291 | D207-P289 HydrophobicContact CB-CB 3.86Å; D207-P289 HydrophobicContact CB-CG 4.09Å; D211-P289 HydrophobicContact CB-CB 4.46Å; D211-P289 WeakPolarHBondContact OD2-CA 3.36Å; W287-P289 HydrophobicContact CH2-CB 4.07Å; W287-P289 HydrophobicContact CH2-CG 3.57Å; W287-P289 HydrophobicContact CZ2-CB 4.3Å; W287-P289 HydrophobicContact CZ2-CG 4.21Å; W287-P289 HydrophobicContact CZ3-CG 3.8Å; P289-Q291 PolarHBondContact O-NE2 2.65Å |
| 290 | V | 94.5 | Very high | 95.1 | Very high | 87 Ų | 87 | 89.9 Ų | 89.9 | 53% | 0.527 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 138.8 | 170.5 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | D208 D211 | D208-V290 WeakPolarHBondContact CB-O 3.37Å; D208-V290 PolarHBondContact N-O 2.74Å; D211-V290 WeakPolarHBondContact OD2-CG2 3.38Å; D211-V290 PolarHBondContact OD2-N 2.89Å |
| 291 | Q | 96.8 | Very high | 95.2 | Very high | 94 Ų | 94 | 92.9 Ų | 92.9 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 123.9 | 177.4 | -63.3 | -60.9 | -70.4 | 0 | 0 | 111.3 | K205 I206 D207 P289 | K205-Q291 HydrophobicContact CB-CB 4.25Å; I206-Q291 CarbonylContact O-C 3.29Å; I206-Q291 WeakPolarHBondContact O-CA 3.19Å; D207-Q291 PolarHBondContact OD1-NE2 2.87Å; P289-Q291 PolarHBondContact O-NE2 2.65Å |
| 292 | I | 96.4 | Very high | 95.3 | Very high | 56 Ų | 56 | 91.5 Ų | 91.5 | 29% | 0.287 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 161.5 | 174.5 | 59 | 168.4 | 0 | 0 | 0 | 111.3 | K205 I206 D208 N294 | K205-I292 CarbonylContact C-O 3.59Å; K205-I292 WeakPolarHBondContact CA-O 3.39Å; K205-I292 VanDerWaalsContact CD-O 3.3Å; K205-I292 WeakPolarHBondContact CD-O 3.38Å; I206-I292 HydrophobicContact CG1-CG1 4.03Å; I206-I292 PolarHBondContact N-O 2.9Å; I206-I292 PolarHBondContact O-N 2.89Å; D208-I292 HydrophobicContact CB-CD1 4.17Å; D208-I292 HydrophobicContact CB-CG1 4.17Å; D208-I292 HydrophobicContact CB-CG2 3.82Å; I292-N294 PolarHBondContact O-N 3Å |
| 293 | D | 97.1 | Very high | 95.5 | Very high | 113 Ų | 113 | 84.9 Ų | 84.9 | 60% | 0.604 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 131.6 | 173 | -70.9 | -45.8 | 0 | 0 | 0 | 110.6 | K205 P295 | K205-D293 WeakPolarHBondContact CE-OD1 3.5Å; K205-D293 VanDerWaalsContact NZ-CG 3.27Å; K205-D293 IonicContact NZ-OD1 2.64Å; K205-D293 PolarHBondContact NZ-OD1 2.89Å; K205-D293 IonicContact NZ-OD2 3.52Å; D293-P295 VanDerWaalsContact O-CD 3.25Å; D293-P295 WeakPolarHBondContact O-CD 3.46Å |
| 294 | N | 96.6 | Very high | 95.6 | Very high | 16 Ų | 16 | 82.4 Ų | 82.4 | 9% | 0.086 | 41% | 0.409 | C | S | . | . | trans | -74.8 | 114.1 | 177.1 | -175.2 | -2 | 0 | 0 | 0 | 109.8 | P203 K204 I206 I292 E296 Y297 | P203-N294 WeakPolarHBondContact O-CB 3.48Å; P203-N294 PolarHBondContact O-ND2 2.88Å; K204-N294 PolarHBondContact O-N 2.86Å; I206-N294 HydrophobicContact CD1-CB 4.47Å; I206-N294 HydrophobicContact CG1-CB 4.26Å; I206-N294 HydrophobicContact CG2-CB 3.95Å; I292-N294 PolarHBondContact O-N 3Å; N294-E296 PolarHBondContact O-N 3.48Å; N294-E296 WeakPolarHBondContact OD1-CB 3.37Å; N294-E296 PolarHBondContact OD1-N 2.84Å; N294-Y297 WeakPolarHBondContact O-CB 3.1Å; N294-Y297 PolarHBondContact O-N 3.39Å | ||
| 295 | P | 95.8 | Very high | 95.9 | Very high | 107 Ų | 107 | 77.1 Ų | 77.1 | 70% | 0.695 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21 | 179.3 | 27.4 | -35.1 | 0 | 0 | 0 | 113.2 | D293 | D293-P295 VanDerWaalsContact O-CD 3.25Å; D293-P295 WeakPolarHBondContact O-CD 3.46Å |
| 296 | E | 95.1 | Very high | 96 | Very high | 146 Ų | 146 | 76.4 Ų | 76.4 | 68% | 0.682 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -14 | 176.6 | -59.3 | -59.7 | 132.5 | 0 | 0 | 112.8 | N294 K298 | N294-E296 PolarHBondContact O-N 3.48Å; N294-E296 WeakPolarHBondContact OD1-CB 3.37Å; N294-E296 PolarHBondContact OD1-N 2.84Å; E296-K298 PolarHBondContact O-N 3.44Å |
| 297 | Y | 95.7 | Very high | 96.1 | Very high | 66 Ų | 66 | 73.2 Ų | 73.2 | 26% | 0.259 | 37% | 0.366 | S | S | . | . | trans | -71.2 | 126 | 175.5 | 167.6 | -95.4 | 0 | 0 | 0 | 110.1 | E195 L201 P202 K204 N294 | E195-Y297 VanDerWaalsContact OE1-CE2 3.3Å; E195-Y297 WeakPolarHBondContact OE1-CE2 3.39Å; E195-Y297 VanDerWaalsContact OE1-CZ 3.27Å; E195-Y297 PolarHBondContact OE1-OH 2.9Å; L201-Y297 HydrophobicContact CD1-CE2 4.25Å; P202-Y297 WeakPolarHBondContact O-CD2 3.38Å; K204-Y297 HydrophobicContact CD-CE2 4.49Å; K204-Y297 HydrophobicContact CG-CD1 4.42Å; K204-Y297 HydrophobicContact CG-CD2 3.89Å; K204-Y297 HydrophobicContact CG-CE1 4.19Å; K204-Y297 HydrophobicContact CG-CE2 3.62Å; K204-Y297 HydrophobicContact CG-CG 4.28Å; N294-Y297 WeakPolarHBondContact O-CB 3.1Å; N294-Y297 PolarHBondContact O-N 3.39Å | ||
| 298 | K | 95.2 | Very high | 96.3 | Very high | 168 Ų | 168 | 73 Ų | 73 | 73% | 0.73 | 37% | 0.37 | S | S | * | . | trans | -136 | 120 | 171.4 | -174.6 | 179.2 | 179.4 | -177.9 | 0 | 108.9 | E296 D300 | E296-K298 PolarHBondContact O-N 3.44Å; K298-D300 PolarHBondContact O-N 3.27Å | ||
| 299 | H | 94.7 | Very high | 96.5 | Very high | 97 Ų | 97 | 65.5 Ų | 65.5 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | trans | -56.2 | 133.7 | 172.5 | 177.6 | 68.6 | 0 | 0 | 0 | 110.4 | E195 | E195-H299 IonicContact OE2-CE1 3.75Å; E195-H299 PolarHBondContact OE2-CE1 3.31Å; E195-H299 IonicContact OE2-CG 3.97Å; E195-H299 IonicContact OE2-ND1 2.96Å; E195-H299 PolarHBondContact OE2-ND1 2.64Å | ||
| 300 | D | 96.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 64.1 Ų | 64.1 | 20% | 0.198 | 33% | 0.329 | C | S | . | . | trans | -116.2 | 105.9 | 177.1 | -173.4 | -10.2 | 0 | 0 | 0 | 108.9 | Y148 N178 L201 K298 E302 L303 | Y148-D300 PolarHBondContact OH-OD2 3.03Å; N178-D300 PolarHBondContact ND2-O 3.21Å; L201-D300 HydrophobicContact CD1-CB 4.24Å; L201-D300 HydrophobicContact CD2-CB 4.08Å; K298-D300 PolarHBondContact O-N 3.27Å; D300-E302 PolarHBondContact O-N 3.26Å; D300-E302 VanDerWaalsContact O-N 3.16Å; D300-E302 PolarHBondContact OD1-N 3.44Å; D300-L303 HydrophobicContact CB-CD2 4Å; D300-L303 HydrophobicContact CB-CG 3.98Å; D300-L303 WeakPolarHBondContact O-CG 3.38Å | ||
| 301 | P | 96.9 | Very high | 96.9 | Very high | 79 Ų | 79 | 61.4 Ų | 61.4 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -4.8 | 179.7 | 30.6 | -34.7 | 0 | 0 | 0 | 112.8 | Y304 | P301-Y304 WeakPolarHBondContact O-CE1 3.45Š|
| 302 | E | 97.3 | Very high | 97 | Very high | 89 Ų | 89 | 56.9 Ų | 56.9 | 42% | 0.416 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 18.1 | -175.1 | -53.2 | -162.4 | 145.6 | 0 | 0 | 113.4 | R85 D300 Y304 V305 | R85-E302 IonicContact CZ-OE1 2.67Å; R85-E302 IonicContact CZ-OE2 2.76Å; R85-E302 IonicContact NH1-OE1 3.08Å; R85-E302 PolarHBondContact NH1-OE1 3.14Å; R85-E302 IonicContact NH1-OE2 3.19Å; R85-E302 PolarHBondContact NH1-OE2 2.92Å; R85-E302 IonicContact NH2-OE2 3.87Å; D300-E302 PolarHBondContact O-N 3.26Å; D300-E302 VanDerWaalsContact O-N 3.16Å; D300-E302 PolarHBondContact OD1-N 3.44Å; E302-Y304 PolarHBondContact O-N 3.11Å; E302-Y304 VanDerWaalsContact O-N 3.17Å; E302-V305 HydrophobicContact CB-CB 4.34Å; E302-V305 HydrophobicContact CB-CG2 3.81Å; E302-V305 HydrophobicContact CG-CG2 4.42Å; E302-V305 WeakPolarHBondContact O-CB 3.35Å; E302-V305 PolarHBondContact O-N 3.07Å |
| 303 | L | 97.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -34.6 | 175 | -67.7 | 171.9 | 0 | 0 | 0 | 112.5 | Y148 N178 L194 E195 M200 L201 D300 V305 | Y148-L303 HydrophobicContact CD2-CD2 4.05Å; Y148-L303 HydrophobicContact CE1-CD2 4.27Å; Y148-L303 HydrophobicContact CE2-CD2 3.6Å; N178-L303 WeakPolarHBondContact OD1-CB 3.48Å; N178-L303 PolarHBondContact OD1-N 3.3Å; L194-L303 HydrophobicContact CB-CB 4.29Å; L194-L303 HydrophobicContact CB-CD1 4.43Å; L194-L303 HydrophobicContact CD1-CB 4.16Å; E195-L303 HydrophobicContact CB-CD1 3.93Å; E195-L303 HydrophobicContact CG-CD1 4.46Å; M200-L303 HydrophobicContact CB-CD2 4.1Å; M200-L303 HydrophobicContact SD-CD2 4.2Å; L201-L303 HydrophobicContact CD1-CD1 4.09Å; L201-L303 HydrophobicContact CD1-CD2 4.49Å; L201-L303 HydrophobicContact CD2-CD2 4.02Å; L201-L303 HydrophobicContact CG-CD1 4.36Å; L201-L303 HydrophobicContact CG-CD2 4.14Å; D300-L303 HydrophobicContact CB-CD2 4Å; D300-L303 HydrophobicContact CB-CG 3.98Å; D300-L303 WeakPolarHBondContact O-CG 3.38Å; L303-V305 PolarHBondContact O-N 2.78Å |
| 304 | Y | 98 | Very high | 97.2 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -19.2 | 177.9 | 79.5 | -86 | 0 | 0 | 0 | 113.8 | N84 G86 N175 P176 N178 P301 E302 L306 | N84-Y304 PolarHBondContact ND2-O 3.07Å; N84-Y304 PolarHBondContact OD1-O 3.48Å; G86-Y304 PolarHBondContact N-OH 3.3Å; N175-Y304 WeakPolarHBondContact O-CB 3.38Å; P176-Y304 HydrophobicContact CB-CE1 4.29Å; P176-Y304 HydrophobicContact CB-CE2 3.99Å; P176-Y304 HydrophobicContact CG-CE2 4.32Å; P176-Y304 WeakPolarHBondContact O-CD1 3.41Å; P176-Y304 WeakPolarHBondContact O-CE1 3.44Å; N178-Y304 WeakPolarHBondContact OD1-CD1 3.31Å; N178-Y304 PolarHBondContact OD1-N 3.43Å; P301-Y304 WeakPolarHBondContact O-CE1 3.45Å; E302-Y304 PolarHBondContact O-N 3.11Å; E302-Y304 VanDerWaalsContact O-N 3.17Å; Y304-L306 PolarHBondContact O-N 2.97Å |
| 305 | V | 98.3 | Very high | 97.2 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | trans | -78.2 | 117.8 | -169.4 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | N84 R85 E302 L303 | N84-V305 WeakPolarHBondContact OD1-CA 3.2Å; R85-V305 HydrophobicContact CB-CG1 3.93Å; R85-V305 HydrophobicContact CB-CG2 4.37Å; R85-V305 HydrophobicContact CG-CG1 4.41Å; R85-V305 HydrophobicContact CG-CG2 4.31Å; E302-V305 HydrophobicContact CB-CB 4.34Å; E302-V305 HydrophobicContact CB-CG2 3.81Å; E302-V305 HydrophobicContact CG-CG2 4.42Å; E302-V305 WeakPolarHBondContact O-CB 3.35Å; E302-V305 PolarHBondContact O-N 3.07Å; L303-V305 PolarHBondContact O-N 2.78Å | ||
| 306 | L | 97.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | trans | -101.6 | 114.2 | 169.2 | -51.1 | 175.8 | 0 | 0 | 0 | 107.7 | S83 N84 M89 K127 I128 F146 Y304 I309 | S83-L306 VanDerWaalsContact CA-O 3.31Å; S83-L306 WeakPolarHBondContact CA-O 3.43Å; S83-L306 WeakPolarHBondContact CB-O 3.45Å; S83-L306 PolarHBondContact OG-O 3Å; N84-L306 PolarHBondContact OD1-N 3.34Å; N84-L306 PolarHBondContact OD1-O 3.19Å; M89-L306 HydrophobicContact CE-CD1 3.52Å; M89-L306 HydrophobicContact SD-CD1 3.99Å; K127-L306 HydrophobicContact CB-CD1 4.44Å; K127-L306 HydrophobicContact CB-CD2 4.28Å; I128-L306 HydrophobicContact CD1-CD1 3.53Å; I128-L306 HydrophobicContact CG1-CD1 3.72Å; I128-L306 HydrophobicContact CG1-CD2 4.23Å; F146-L306 HydrophobicContact CD1-CD2 4.38Å; Y304-L306 PolarHBondContact O-N 2.97Å; L306-I309 HydrophobicContact CB-CD1 3.72Å; L306-I309 HydrophobicContact CB-CG1 4.03Å; L306-I309 HydrophobicContact CD1-CD1 3.94Å | ||
| 307 | N | 96 | Very high | 97.4 | Very high | 85 Ų | 85 | 41.2 Ų | 41.2 | 46% | 0.455 | 20% | 0.196 | S | C | . | . | trans | -89.9 | 139.5 | 175.1 | -56.4 | -66.7 | 0 | 0 | 0 | 109.7 | R85 K127 | R85-N307 PolarHBondContact NH2-OD1 2.96Å; K127-N307 WeakPolarHBondContact CE-O 3.32Å; K127-N307 PolarHBondContact NZ-O 3.44Å | ||
| 308 | D | 97.6 | Very high | 97.5 | Very high | 62 Ų | 62 | 38.1 Ų | 38.1 | 33% | 0.332 | 18% | 0.184 | S | C | . | . | trans | 55.7 | 72.2 | 175.2 | -177.3 | 48.2 | 0 | 0 | 0 | 112.7 | G112 S113 K127 | G112-D308 WeakPolarHBondContact CA-O 3.2Å; S113-D308 VanDerWaalsContact CB-OD1 3.26Å; S113-D308 WeakPolarHBondContact CB-OD1 3.49Å; S113-D308 WeakPolarHBondContact CB-OD2 3.35Å; S113-D308 PolarHBondContact N-OD2 3.3Å; S113-D308 PolarHBondContact OG-OD1 3.33Å; K127-D308 VanDerWaalsContact CE-O 3.31Å; K127-D308 WeakPolarHBondContact CE-O 3.41Å | ||
| 309 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 104.4 | 166.9 | -58.8 | 165.8 | 0 | 0 | 0 | 107.1 | I78 P81 F82 M89 L110 K127 L306 | I78-I309 HydrophobicContact CD1-CG2 3.87Å; P81-I309 WeakPolarHBondContact CA-O 3.32Å; F82-I309 HydrophobicContact CD1-CB 4.17Å; F82-I309 HydrophobicContact CD1-CG2 4.47Å; F82-I309 HydrophobicContact CD2-CD1 4.41Å; F82-I309 HydrophobicContact CE1-CB 3.77Å; F82-I309 HydrophobicContact CE1-CD1 4.4Å; F82-I309 HydrophobicContact CE1-CG2 3.68Å; F82-I309 HydrophobicContact CE2-CB 4.42Å; F82-I309 HydrophobicContact CE2-CD1 3.65Å; F82-I309 HydrophobicContact CZ-CB 3.89Å; F82-I309 HydrophobicContact CZ-CD1 3.63Å; F82-I309 HydrophobicContact CZ-CG1 4.37Å; F82-I309 HydrophobicContact CZ-CG2 3.85Å; F82-I309 PolarHBondContact N-O 2.94Å; F82-I309 VanDerWaalsContact N-O 3.11Å; F82-I309 PolarHBondContact O-N 2.91Å; M89-I309 HydrophobicContact SD-CD1 3.79Å; L110-I309 HydrophobicContact CB-CG2 4.13Å; L110-I309 HydrophobicContact CD1-CD1 4.26Å; L110-I309 HydrophobicContact CD1-CG2 4.37Å; L110-I309 HydrophobicContact CD2-CG2 4.43Å; K127-I309 HydrophobicContact CG-CG1 4.47Å; L306-I309 HydrophobicContact CB-CD1 3.72Å; L306-I309 HydrophobicContact CB-CG1 4.03Å; L306-I309 HydrophobicContact CD1-CD1 3.94Å |
| 310 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -20 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I78 L111 S113 | I78-G310 PolarHBondContact N-O 2.99Å; L111-G310 PolarHBondContact O-N 2.88Å; S113-G310 WeakPolarHBondContact OG-CA 3.12Å |
| 311 | Y | 98.7 | Very high | 97.8 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 11% | 0.114 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 153.9 | 178.5 | -67.7 | -104.8 | 0 | 0 | 0 | 111 | A75 R76 K77 L111 G112 I115 P117 | A75-Y311 HydrophobicContact CB-CD1 4.34Å; R76-Y311 VanDerWaalsContact O-CA 3.32Å; R76-Y311 WeakPolarHBondContact O-CA 3.28Å; K77-Y311 HydrophobicContact CB-CD1 3.83Å; K77-Y311 HydrophobicContact CB-CE1 3.43Å; K77-Y311 VanDerWaalsContact CB-CE1 3.43Å; K77-Y311 HydrophobicContact CD-CE1 4.24Å; K77-Y311 HydrophobicContact CG-CD1 4.26Å; K77-Y311 HydrophobicContact CG-CE1 3.73Å; K77-Y311 HydrophobicContact CG-CE2 4.23Å; L111-Y311 PolarHBondContact N-O 3.34Å; L111-Y311 PolarHBondContact O-N 2.77Å; G112-Y311 WeakPolarHBondContact O-CD2 3.39Å; I115-Y311 HydrophobicContact CD1-CD1 4.28Å; I115-Y311 HydrophobicContact CD1-CD2 4.1Å; I115-Y311 HydrophobicContact CD1-CG 3.98Å; I115-Y311 HydrophobicContact CG1-CD2 3.8Å; I115-Y311 HydrophobicContact CG1-CE2 4.2Å; I115-Y311 HydrophobicContact CG1-CG 4.18Å; P117-Y311 HydrophobicContact CB-CE1 4.43Å; P117-Y311 HydrophobicContact CG-CE1 4.15Å |
| 312 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142.2 | 164.9 | 61.6 | 0 | 0 | 0 | 0 | 108.1 | F21 W33 A75 R76 I108 K109 L110 I328 | F21-V312 HydrophobicContact CD1-CG1 4.09Å; F21-V312 HydrophobicContact CD2-CG1 4.14Å; F21-V312 HydrophobicContact CE1-CG1 3.65Å; F21-V312 HydrophobicContact CE2-CG1 3.69Å; F21-V312 HydrophobicContact CG-CG1 4.31Å; F21-V312 HydrophobicContact CZ-CG1 3.42Å; F21-V312 VanDerWaalsContact CZ-CG1 3.42Å; W33-V312 HydrophobicContact CH2-CG1 3.93Å; W33-V312 HydrophobicContact CZ3-CG1 4.42Å; A75-V312 CarbonylContact C-O 3.6Å; A75-V312 VanDerWaalsContact CA-O 3.29Å; A75-V312 WeakPolarHBondContact CA-O 3.42Å; R76-V312 HydrophobicContact CB-CG1 4.25Å; R76-V312 PolarHBondContact N-O 2.89Å; R76-V312 PolarHBondContact O-N 3.48Å; I108-V312 HydrophobicContact CD1-CG2 3.35Å; I108-V312 HydrophobicContact CG1-CG2 3.65Å; K109-V312 WeakPolarHBondContact O-CA 3.16Å; L110-V312 HydrophobicContact CD2-CB 4.38Å; L110-V312 HydrophobicContact CD2-CG2 4.19Å; V312-I328 HydrophobicContact CG2-CG2 4.34Å |
| 313 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 167 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | I74 K109 | I74-G313 CarbonylContact O-C 3.53Å; I74-G313 WeakPolarHBondContact O-CA 3.19Å; K109-G313 PolarHBondContact N-O 2.91Å; K109-G313 PolarHBondContact O-N 2.83Å |
| 314 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.3 | 174.4 | -57.9 | -90 | 0 | 0 | 0 | 108.6 | W33 F46 L63 G73 I74 F93 Y107 I108 F120 L316 F325 I328 | W33-F314 HydrophobicContact CH2-CD2 4.48Å; W33-F314 AromaticContact CH2-CE2 3.94Å; W33-F314 HydrophobicContact CH2-CE2 3.94Å; W33-F314 HydrophobicContact CZ3-CD2 4.13Å; W33-F314 HydrophobicContact CZ3-CE2 4.05Å; F46-F314 HydrophobicContact CZ-CB 4.03Å; L63-F314 HydrophobicContact CD2-CD2 3.79Å; L63-F314 HydrophobicContact CD2-CE2 3.94Å; G73-F314 CarbonylContact C-O 3.55Å; G73-F314 VanDerWaalsContact CA-O 3.25Å; G73-F314 WeakPolarHBondContact CA-O 3.49Å; I74-F314 HydrophobicContact CG2-CB 4.05Å; I74-F314 HydrophobicContact CG2-CD2 4.02Å; I74-F314 PolarHBondContact N-O 3.02Å; I74-F314 PolarHBondContact O-N 3.13Å; F93-F314 HydrophobicContact CD2-CE1 4.33Å; F93-F314 HydrophobicContact CE2-CE1 4.22Å; Y107-F314 WeakPolarHBondContact O-CD1 3.3Å; I108-F314 HydrophobicContact CB-CD1 4.25Å; I108-F314 HydrophobicContact CB-CE1 3.7Å; I108-F314 HydrophobicContact CB-CZ 4.18Å; I108-F314 HydrophobicContact CD1-CE1 4.04Å; I108-F314 HydrophobicContact CD1-CE2 4.27Å; I108-F314 HydrophobicContact CD1-CZ 3.62Å; I108-F314 HydrophobicContact CG1-CD1 4.31Å; I108-F314 HydrophobicContact CG1-CE1 3.74Å; I108-F314 HydrophobicContact CG1-CE2 4.33Å; I108-F314 HydrophobicContact CG1-CZ 3.75Å; F120-F314 WeakPolarHBondContact CE1-O 3.43Å; F314-L316 HydrophobicContact CB-CD1 4.16Å; F314-L316 HydrophobicContact CB-CG 4.21Å; F314-F325 AromaticContact CD1-CD1 3.92Å; F314-F325 HydrophobicContact CD1-CD1 3.92Å; F314-F325 HydrophobicContact CD1-CD2 4.09Å; F314-F325 HydrophobicContact CD1-CE1 4.07Å; F314-F325 HydrophobicContact CD1-CE2 4.25Å; F314-F325 AromaticContact CD1-CG 3.94Å; F314-F325 HydrophobicContact CD1-CG 3.94Å; F314-F325 HydrophobicContact CD1-CZ 4.25Å; F314-F325 HydrophobicContact CE1-CB 3.84Å; F314-F325 AromaticContact CE1-CD1 3.42Å; F314-F325 HydrophobicContact CE1-CD1 3.42Å; F314-F325 VanDerWaalsContact CE1-CD1 3.42Å; F314-F325 HydrophobicContact CE1-CD2 4.11Å; F314-F325 AromaticContact CE1-CE1 3.98Å; F314-F325 HydrophobicContact CE1-CE1 3.98Å; F314-F325 AromaticContact CE1-CG 3.5Å; F314-F325 HydrophobicContact CE1-CG 3.5Å; F314-F325 VanDerWaalsContact CE1-CG 3.5Å; F314-F325 HydrophobicContact CE2-CB 4.16Å; F314-F325 HydrophobicContact CE2-CG 4.4Å; F314-F325 HydrophobicContact CG-CD2 4.4Å; F314-F325 HydrophobicContact CZ-CB 3.56Å; F314-F325 HydrophobicContact CZ-CD1 4.07Å; F314-F325 HydrophobicContact CZ-CD2 4.42Å; F314-F325 AromaticContact CZ-CG 3.76Å; F314-F325 HydrophobicContact CZ-CG 3.76Å; F314-I328 HydrophobicContact CE2-CD1 3.75Å; F314-I328 HydrophobicContact CZ-CD1 3.74Å; F314-I328 HydrophobicContact CZ-CG1 4.46Å |
| 315 | D | 97.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 108.8 | 171.4 | 151.3 | 70 | 0 | 0 | 0 | 106.3 | Y72 Y107 K109 F120 H121 G122 | Y72-D315 CarbonylContact O-C 3.57Å; Y72-D315 VanDerWaalsContact O-CA 3.27Å; Y72-D315 WeakPolarHBondContact O-CA 3.42Å; Y107-D315 WeakPolarHBondContact CE2-O 3.37Å; Y107-D315 VanDerWaalsContact CZ-O 3.31Å; Y107-D315 PolarHBondContact OH-O 2.85Å; K109-D315 VanDerWaalsContact CE-OD2 3.31Å; K109-D315 WeakPolarHBondContact CE-OD2 3.4Å; K109-D315 IonicContact NZ-OD2 3.51Å; K109-D315 PolarHBondContact NZ-OD2 2.79Å; F120-D315 HydrophobicContact CD1-CB 4.42Å; F120-D315 HydrophobicContact CE1-CB 3.72Å; F120-D315 HydrophobicContact CE2-CB 3.88Å; F120-D315 HydrophobicContact CZ-CB 3.39Å; H121-D315 WeakPolarHBondContact CA-OD1 3.39Å; G122-D315 WeakPolarHBondContact CA-OD1 3.18Å; G122-D315 WeakPolarHBondContact CA-OD2 3.3Å; G122-D315 PolarHBondContact N-OD1 3.29Å; G122-D315 PolarHBondContact N-OD2 2.78Å |
| 316 | L | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.4 | -166.6 | -45.7 | 168.4 | 0 | 0 | 0 | 110.1 | F46 T65 F71 Y72 Y107 F314 Q318 F325 | F46-L316 HydrophobicContact CZ-CD1 4.45Å; T65-L316 HydrophobicContact CG2-CD1 4.43Å; F71-L316 CarbonylContact C-O 3.52Å; F71-L316 WeakPolarHBondContact CA-O 3.48Å; Y72-L316 PolarHBondContact N-O 3.5Å; Y72-L316 PolarHBondContact O-N 3.23Å; Y107-L316 HydrophobicContact CD1-CD2 4.4Å; Y107-L316 HydrophobicContact CD2-CD2 4.01Å; Y107-L316 HydrophobicContact CE1-CD2 4.34Å; Y107-L316 HydrophobicContact CE2-CD2 3.94Å; Y107-L316 HydrophobicContact CG-CD2 4.25Å; Y107-L316 WeakPolarHBondContact O-CD2 3.35Å; F314-L316 HydrophobicContact CB-CD1 4.16Å; F314-L316 HydrophobicContact CB-CG 4.21Å; L316-Q318 HydrophobicContact CB-CG 4.17Å; L316-F325 HydrophobicContact CD1-CE1 4.5Å; L316-F325 HydrophobicContact CD1-CE2 3.59Å; L316-F325 HydrophobicContact CD1-CZ 3.41Å; L316-F325 VanDerWaalsContact CD1-CZ 3.41Å |
| 317 | W | 97.6 | Very high | 97.8 | Very high | 102 Ų | 102 | 18.9 Ų | 18.9 | 39% | 0.386 | 10% | 0.095 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.6 | 156.6 | 168.7 | -110.6 | 0 | 0 | 0 | 108.2 | A69 R70 F71 G104 G105 V319 | A69-W317 HydrophobicContact CB-CH2 4.1Å; R70-W317 VanDerWaalsContact C-CE3 3.49Å; R70-W317 VanDerWaalsContact O-CE3 3.31Å; F71-W317 HydrophobicContact CD1-CB 4.2Å; F71-W317 HydrophobicContact CD1-CD2 4.48Å; F71-W317 AromaticContact CD1-CE3 3.74Å; F71-W317 HydrophobicContact CD1-CE3 3.74Å; F71-W317 AromaticContact CD2-CE3 3.98Å; F71-W317 HydrophobicContact CD2-CE3 3.98Å; F71-W317 HydrophobicContact CD2-CZ3 4.02Å; F71-W317 HydrophobicContact CE1-CB 4.17Å; F71-W317 HydrophobicContact CE1-CD2 4.18Å; F71-W317 AromaticContact CE1-CE3 3.68Å; F71-W317 HydrophobicContact CE1-CE3 3.68Å; F71-W317 HydrophobicContact CE1-CG 4.41Å; F71-W317 HydrophobicContact CE1-CZ3 4.46Å; F71-W317 AromaticContact CE2-CE3 3.92Å; F71-W317 HydrophobicContact CE2-CE3 3.92Å; F71-W317 AromaticContact CE2-CZ3 3.89Å; F71-W317 HydrophobicContact CE2-CZ3 3.89Å; F71-W317 AromaticContact CG-CE3 3.89Å; F71-W317 HydrophobicContact CG-CE3 3.89Å; F71-W317 HydrophobicContact CG-CZ3 4.36Å; F71-W317 HydrophobicContact CZ-CD2 4.43Å; F71-W317 AromaticContact CZ-CE3 3.77Å; F71-W317 HydrophobicContact CZ-CE3 3.77Å; F71-W317 HydrophobicContact CZ-CZ3 4.12Å; G104-W317 WeakPolarHBondContact CA-O 3.48Å; G105-W317 PolarHBondContact N-O 3.38Å; G105-W317 VanDerWaalsContact N-O 3.15Å; W317-V319 HydrophobicContact CZ2-CG2 4.24Å |
| 318 | Q | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 120.8 | 177.6 | -62.6 | -164.5 | -31 | 0 | 0 | 110.7 | T65 A69 R70 Y72 G105 L316 S323 | T65-Q318 VanDerWaalsContact CG2-OE1 3.3Å; T65-Q318 PolarHBondContact OG1-OE1 2.68Å; A69-Q318 WeakPolarHBondContact CA-O 3.42Å; A69-Q318 PolarHBondContact N-O 3.14Å; A69-Q318 VanDerWaalsContact N-O 3.08Å; R70-Q318 PolarHBondContact N-O 2.88Å; R70-Q318 VanDerWaalsContact N-O 3.1Å; R70-Q318 PolarHBondContact O-N 2.82Å; R70-Q318 VanDerWaalsContact O-N 3.12Å; Y72-Q318 HydrophobicContact CD2-CB 4.31Å; Y72-Q318 HydrophobicContact CD2-CG 4.29Å; Y72-Q318 HydrophobicContact CE2-CB 4.14Å; G105-Q318 PolarHBondContact O-NE2 2.85Å; L316-Q318 HydrophobicContact CB-CG 4.17Å; Q318-S323 PolarHBondContact NE2-OG 3.46Å |
| 319 | V | 97.9 | Very high | 97.9 | Very high | 54 Ų | 54 | 12.1 Ų | 12.1 | 33% | 0.327 | 6% | 0.059 | S | C | . | . | S | Bend | trans | -70.1 | -46.7 | 165.1 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | D68 A69 C103 W317 | D68-V319 WeakPolarHBondContact CA-O 3.5Å; D68-V319 WeakPolarHBondContact CB-O 3.42Å; A69-V319 PolarHBondContact N-O 2.74Å; C103-V319 HydrophobicContact CB-CB 4.2Å; C103-V319 HydrophobicContact CB-CG2 3.82Å; C103-V319 VanDerWaalsContact O-CB 3.3Å; C103-V319 WeakPolarHBondContact O-CB 3.33Å; C103-V319 PolarHBondContact O-N 2.95Å; W317-V319 HydrophobicContact CZ2-CG2 4.24Å |
| 320 | D | 97.2 | Very high | 97.9 | Very high | 27 Ų | 27 | 12.1 Ų | 12.1 | 14% | 0.144 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -105.6 | 115.1 | 175.5 | -67.2 | -67.1 | 0 | 0 | 0 | 111.1 | K99 V101 S102 C103 | K99-D320 IonicContact NZ-OD1 2.96Å; K99-D320 PolarHBondContact NZ-OD1 2.77Å; V101-D320 HydrophobicContact CG1-CB 4.38Å; V101-D320 HydrophobicContact CG2-CB 4.43Å; S102-D320 WeakPolarHBondContact CA-OD2 3.14Å; S102-D320 VanDerWaalsContact CB-OD2 3.23Å; S102-D320 WeakPolarHBondContact CB-OD2 3.45Å; S102-D320 PolarHBondContact N-OD2 3.5Å; S102-D320 PolarHBondContact OG-OD2 2.91Å; C103-D320 PolarHBondContact O-N 2.85Å |
| 321 | S | 97 | Very high | 97.9 | Very high | 11 Ų | 11 | 12.1 Ų | 12.1 | 8% | 0.077 | 6% | 0.059 | C | C | . | . | trans | -76.3 | 179.8 | 172.4 | 75.3 | 0 | 0 | 0 | 0 | 112.4 | T66 Q67 D68 K99 | T66-S321 PolarHBondContact O-OG 2.76Å; Q67-S321 VanDerWaalsContact C-CB 3.48Å; Q67-S321 WeakPolarHBondContact O-CB 3.39Å; D68-S321 PolarHBondContact OD1-N 3.33Å; D68-S321 PolarHBondContact OD1-OG 3.37Å; D68-S321 VanDerWaalsContact OD1-OG 3.09Å; K99-S321 WeakPolarHBondContact CE-O 3.29Å | ||
| 322 | G | 97.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 4% | 0.041 | 6% | 0.061 | C | C | . | . | trans | 97.3 | 13.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T65 D98 | T65-G322 WeakPolarHBondContact O-CA 3.27Å; T65-G322 PolarHBondContact O-N 3.34Å; T65-G322 PolarHBondContact OG1-N 2.78Å; D98-G322 WeakPolarHBondContact CB-O 3.34Å; D98-G322 PolarHBondContact N-O 2.96Å | ||
| 323 | S | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 133.8 | 165.1 | -57.1 | 0 | 0 | 0 | 0 | 109.1 | K64 T65 K96 F97 Q318 | K64-S323 VanDerWaalsContact CA-O 3.27Å; K64-S323 WeakPolarHBondContact CA-O 3.36Å; T65-S323 PolarHBondContact N-O 2.8Å; T65-S323 PolarHBondContact OG1-N 2.79Å; T65-S323 PolarHBondContact OG1-O 2.96Å; K96-S323 CarbonylContact O-C 3.42Å; K96-S323 WeakPolarHBondContact O-CA 3.45Å; F97-S323 WeakPolarHBondContact CD1-OG 3.37Å; F97-S323 WeakPolarHBondContact CE1-OG 3.43Å; Q318-S323 PolarHBondContact NE2-OG 3.46Å |
| 324 | I | 98 | Very high | 97.8 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.1 | 179.1 | -55 | 174.4 | 0 | 0 | 0 | 107.8 | G51 L63 K64 V95 K96 | G51-I324 VanDerWaalsContact CA-CD1 3.46Å; L63-I324 WeakPolarHBondContact O-CA 3.18Å; K64-I324 HydrophobicContact CB-CG1 3.98Å; K64-I324 HydrophobicContact CD-CD1 4.17Å; K64-I324 HydrophobicContact CD-CG1 4.03Å; K64-I324 HydrophobicContact CG-CD1 4.47Å; K64-I324 HydrophobicContact CG-CG1 3.78Å; V95-I324 WeakPolarHBondContact CA-O 2.86Å; K96-I324 HydrophobicContact CB-CB 4.33Å; K96-I324 PolarHBondContact N-O 2.83Å; K96-I324 PolarHBondContact O-N 2.58Å |
| 325 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.2 | 178.8 | -51 | -78.1 | 0 | 0 | 0 | 110 | F25 F46 G62 L63 T65 F93 T94 V95 A106 F314 L316 | F25-F325 WeakPolarHBondContact CE2-O 3.47Å; F46-F325 HydrophobicContact CE1-CD2 4.31Å; F46-F325 HydrophobicContact CE1-CE2 4.18Å; G62-F325 CarbonylContact C-O 3.59Å; G62-F325 WeakPolarHBondContact CA-O 3.34Å; L63-F325 HydrophobicContact CB-CB 4.36Å; L63-F325 PolarHBondContact N-O 2.79Å; L63-F325 VanDerWaalsContact O-CD2 3.3Å; L63-F325 WeakPolarHBondContact O-CD2 3.39Å; L63-F325 PolarHBondContact O-N 2.84Å; T65-F325 HydrophobicContact CG2-CE2 4.26Å; F93-F325 HydrophobicContact CD2-CD1 4.22Å; F93-F325 AromaticContact CE2-CD1 3.96Å; F93-F325 HydrophobicContact CE2-CD1 3.96Å; F93-F325 HydrophobicContact CE2-CE1 4.43Å; T94-F325 WeakPolarHBondContact O-CA 3.3Å; V95-F325 HydrophobicContact CG1-CE1 4.48Å; V95-F325 HydrophobicContact CG2-CD1 4.04Å; V95-F325 HydrophobicContact CG2-CE1 4.14Å; A106-F325 HydrophobicContact CB-CE1 3.73Å; A106-F325 HydrophobicContact CB-CZ 4.02Å; F314-F325 AromaticContact CD1-CD1 3.92Å; F314-F325 HydrophobicContact CD1-CD1 3.92Å; F314-F325 HydrophobicContact CD1-CD2 4.09Å; F314-F325 HydrophobicContact CD1-CE1 4.07Å; F314-F325 HydrophobicContact CD1-CE2 4.25Å; F314-F325 AromaticContact CD1-CG 3.94Å; F314-F325 HydrophobicContact CD1-CG 3.94Å; F314-F325 HydrophobicContact CD1-CZ 4.25Å; F314-F325 HydrophobicContact CE1-CB 3.84Å; F314-F325 AromaticContact CE1-CD1 3.42Å; F314-F325 HydrophobicContact CE1-CD1 3.42Å; F314-F325 VanDerWaalsContact CE1-CD1 3.42Å; F314-F325 HydrophobicContact CE1-CD2 4.11Å; F314-F325 AromaticContact CE1-CE1 3.98Å; F314-F325 HydrophobicContact CE1-CE1 3.98Å; F314-F325 AromaticContact CE1-CG 3.5Å; F314-F325 HydrophobicContact CE1-CG 3.5Å; F314-F325 VanDerWaalsContact CE1-CG 3.5Å; F314-F325 HydrophobicContact CE2-CB 4.16Å; F314-F325 HydrophobicContact CE2-CG 4.4Å; F314-F325 HydrophobicContact CG-CD2 4.4Å; F314-F325 HydrophobicContact CZ-CB 3.56Å; F314-F325 HydrophobicContact CZ-CD1 4.07Å; F314-F325 HydrophobicContact CZ-CD2 4.42Å; F314-F325 AromaticContact CZ-CG 3.76Å; F314-F325 HydrophobicContact CZ-CG 3.76Å; L316-F325 HydrophobicContact CD1-CE1 4.5Å; L316-F325 HydrophobicContact CD1-CE2 3.59Å; L316-F325 HydrophobicContact CD1-CZ 3.41Å; L316-F325 VanDerWaalsContact CD1-CZ 3.41Å |
| 326 | D | 97 | Very high | 97.6 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 176.3 | -176.9 | -174.1 | 29.1 | 0 | 0 | 0 | 111.1 | T24 F25 L61 T94 I328 R348 | T24-D326 WeakPolarHBondContact CA-OD1 3.37Å; F25-D326 WeakPolarHBondContact CD2-OD1 3.33Å; L61-D326 VanDerWaalsContact O-CG 3.25Å; T94-D326 PolarHBondContact N-O 2.79Å; T94-D326 PolarHBondContact O-N 3.37Å; T94-D326 VanDerWaalsContact O-N 3.16Å; T94-D326 VanDerWaalsContact OG1-C 3.26Å; T94-D326 PolarHBondContact OG1-O 2.69Å; D326-I328 PolarHBondContact O-N 2.87Å; D326-R348 IonicContact OD2-NH1 3.38Å |
| 327 | N | 96.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 21.5 Ų | 21.5 | 7% | 0.07 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.9 | 40.4 | 175 | -57.1 | -57.1 | 0 | 0 | 0 | 112.5 | E23 F93 T94 L329 L344 | E23-N327 CarbonylContact O-C 3.52Å; E23-N327 WeakPolarHBondContact O-CA 3.39Å; E23-N327 PolarHBondContact O-N 3.36Å; F93-N327 WeakPolarHBondContact CA-O 3.48Å; T94-N327 HydrophobicContact CG2-CB 4.12Å; T94-N327 PolarHBondContact OG1-ND2 3.39Å; T94-N327 VanDerWaalsContact OG1-ND2 3.15Å; N327-L329 PolarHBondContact O-N 3.5Å; N327-L344 HydrophobicContact CB-CD1 4.44Å; N327-L344 VanDerWaalsContact OD1-CD1 3.3Å; N327-L344 WeakPolarHBondContact OD1-CD1 3.39Å |
| 328 | I | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 120.9 | -177.6 | -52.6 | 169.1 | 0 | 0 | 0 | 107.4 | F21 S22 E23 W33 Q92 F93 I108 V312 F314 D326 | F21-I328 HydrophobicContact CD1-CG2 3.89Å; F21-I328 HydrophobicContact CE1-CB 4.04Å; F21-I328 HydrophobicContact CE1-CG2 3.69Å; S22-I328 CarbonylContact C-O 3.51Å; S22-I328 VanDerWaalsContact CA-O 3.22Å; S22-I328 WeakPolarHBondContact CA-O 3.25Å; E23-I328 HydrophobicContact CB-CB 4.21Å; E23-I328 HydrophobicContact CB-CD1 4.45Å; E23-I328 PolarHBondContact N-O 3.41Å; E23-I328 PolarHBondContact O-N 3.15Å; W33-I328 HydrophobicContact CH2-CD1 3.72Å; W33-I328 HydrophobicContact CZ2-CD1 3.82Å; Q92-I328 CarbonylContact O-C 3.58Å; Q92-I328 WeakPolarHBondContact O-CA 3.49Å; F93-I328 HydrophobicContact CB-CB 4.42Å; F93-I328 HydrophobicContact CB-CG1 4.01Å; I108-I328 HydrophobicContact CD1-CD1 4.26Å; I108-I328 HydrophobicContact CD1-CG1 4.34Å; I108-I328 HydrophobicContact CD1-CG2 3.63Å; V312-I328 HydrophobicContact CG2-CG2 4.34Å; F314-I328 HydrophobicContact CE2-CD1 3.75Å; F314-I328 HydrophobicContact CZ-CD1 3.74Å; F314-I328 HydrophobicContact CZ-CG1 4.46Å; D326-I328 PolarHBondContact O-N 2.87Å |
| 329 | L | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 133.1 | -178 | 177 | 67 | 0 | 0 | 0 | 109.8 | V19 Q92 N327 T331 F336 A337 E340 | V19-L329 HydrophobicContact CG1-CD1 3.8Å; Q92-L329 HydrophobicContact CB-CB 4.3Å; Q92-L329 PolarHBondContact N-O 2.98Å; Q92-L329 PolarHBondContact O-N 2.82Å; N327-L329 PolarHBondContact O-N 3.5Å; L329-T331 HydrophobicContact CD2-CG2 4.06Å; L329-T331 HydrophobicContact CG-CG2 4.11Å; L329-F336 HydrophobicContact CD1-CE1 4.09Å; L329-F336 HydrophobicContact CD2-CD1 4.36Å; L329-F336 HydrophobicContact CD2-CE1 4.19Å; L329-A337 HydrophobicContact CD2-CB 4Å; L329-E340 HydrophobicContact CD2-CB 4.22Å; L329-E340 HydrophobicContact CD2-CG 4.32Å |
| 330 | I | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 116.5 | 168.5 | -43.1 | 177.9 | 0 | 0 | 0 | 108.7 | W20 F21 I78 F82 M89 V90 L91 L110 | W20-I330 HydrophobicContact CE3-CG2 3.69Å; W20-I330 HydrophobicContact CZ3-CG2 4.33Å; W20-I330 PolarHBondContact N-O 3.07Å; F21-I330 HydrophobicContact CB-CB 4.02Å; F21-I330 HydrophobicContact CB-CD1 3.8Å; F21-I330 HydrophobicContact CB-CG1 3.86Å; F21-I330 HydrophobicContact CD1-CD1 4.43Å; F21-I330 HydrophobicContact CD1-CG1 4.37Å; F21-I330 HydrophobicContact CG-CD1 4.33Å; F21-I330 PolarHBondContact N-O 2.94Å; F21-I330 PolarHBondContact O-N 3.35Å; I78-I330 HydrophobicContact CD1-CD1 4.16Å; F82-I330 HydrophobicContact CZ-CG2 3.88Å; M89-I330 HydrophobicContact CG-CG2 4.2Å; V90-I330 VanDerWaalsContact O-CA 3.27Å; V90-I330 WeakPolarHBondContact O-CA 3.44Å; L91-I330 HydrophobicContact CD1-CD1 4.28Å; L91-I330 HydrophobicContact CD1-CG1 3.89Å; L110-I330 HydrophobicContact CD2-CD1 3.52Å |
| 331 | T | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 162.5 | -173.8 | -176.1 | 0 | 0 | 0 | 0 | 112 | E18 W20 V90 L329 S333 F336 A337 | E18-T331 VanDerWaalsContact O-CA 3.24Å; E18-T331 WeakPolarHBondContact O-CA 3.15Å; E18-T331 WeakPolarHBondContact O-CB 3.11Å; E18-T331 PolarHBondContact O-OG1 3.08Å; W20-T331 VanDerWaalsContact CZ3-O 3.27Å; W20-T331 WeakPolarHBondContact CZ3-O 3.36Å; V90-T331 HydrophobicContact CB-CG2 3.96Å; V90-T331 HydrophobicContact CG2-CG2 4.39Å; V90-T331 PolarHBondContact N-O 2.62Å; V90-T331 PolarHBondContact O-N 2.96Å; V90-T331 VanDerWaalsContact O-N 3.13Å; L329-T331 HydrophobicContact CD2-CG2 4.06Å; L329-T331 HydrophobicContact CG-CG2 4.11Å; T331-S333 WeakPolarHBondContact CG2-O 3.48Å; T331-S333 PolarHBondContact OG1-N 2.99Å; T331-F336 HydrophobicContact CG2-CD1 4.19Å; T331-A337 HydrophobicContact CG2-CB 3.96Å |
| 332 | D | 97.6 | Very high | 97.3 | Very high | 31 Ų | 31 | 27.8 Ų | 27.8 | 17% | 0.166 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -88.9 | 1.4 | 172.7 | 68.1 | 2.2 | 0 | 0 | 0 | 115 | H17 E18 W20 K87 T88 | H17-D332 WeakPolarHBondContact CA-OD1 3.47Å; H17-D332 WeakPolarHBondContact CB-OD1 3.41Å; E18-D332 WeakPolarHBondContact CB-OD2 3.46Å; E18-D332 PolarHBondContact N-OD1 3.12Å; E18-D332 PolarHBondContact O-N 3.1Å; E18-D332 VanDerWaalsContact O-N 3.08Å; W20-D332 HydrophobicContact CH2-CB 3.56Å; W20-D332 HydrophobicContact CZ2-CB 3.97Å; W20-D332 HydrophobicContact CZ3-CB 4.16Å; K87-D332 HydrophobicContact CB-CB 4.34Å; K87-D332 HydrophobicContact CD-CB 4.32Å; K87-D332 IonicContact NZ-OD2 3.37Å; K87-D332 PolarHBondContact NZ-OD2 2.93Å; T88-D332 WeakPolarHBondContact O-CA 3.42Å; T88-D332 VanDerWaalsContact O-CB 3.3Å; T88-D332 WeakPolarHBondContact O-CB 3.41Å |
| 333 | S | 97.7 | Very high | 97.2 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 15% | 0.154 | 17% | 0.167 | C | C | . | . | trans | -117.7 | 108.1 | -175.7 | 175.9 | 0 | 0 | 0 | 0 | 113 | H17 T331 D335 F336 A337 | H17-S333 VanDerWaalsContact CB-CB 3.45Å; T331-S333 WeakPolarHBondContact CG2-O 3.48Å; T331-S333 PolarHBondContact OG1-N 2.99Å; S333-D335 VanDerWaalsContact C-N 3.3Å; S333-D335 PolarHBondContact O-N 2.99Å; S333-F336 PolarHBondContact O-N 2.72Å; S333-F336 WeakPolarHBondContact OG-CB 3.4Å; S333-F336 PolarHBondContact OG-N 3Å; S333-F336 VanDerWaalsContact OG-N 3.11Å; S333-A337 PolarHBondContact O-N 3.2Å | ||
| 334 | P | 98.2 | Very high | 96.9 | Very high | 44 Ų | 44 | 37 Ų | 37 | 29% | 0.286 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -56.2 | -40.5 | 170.2 | -29 | 37.4 | 0 | 0 | 0 | 113.8 | T88 V90 I173 A337 K338 | T88-P334 HydrophobicContact CG2-CG 3.84Å; V90-P334 HydrophobicContact CG2-CB 4.35Å; V90-P334 HydrophobicContact CG2-CG 3.88Å; I173-P334 HydrophobicContact CD1-CB 4.04Å; I173-P334 HydrophobicContact CD1-CG 4.39Å; I173-P334 HydrophobicContact CG2-CG 4.12Å; P334-A337 PolarHBondContact O-N 3.3Å; P334-K338 WeakPolarHBondContact O-CB 3.11Å; P334-K338 PolarHBondContact O-N 2.91Å |
| 335 | D | 97.2 | Very high | 96.8 | Very high | 119 Ų | 119 | 37 Ų | 37 | 64% | 0.636 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -65.6 | -44.1 | -179.3 | -69.6 | -26.9 | 0 | 0 | 0 | 111 | S333 K338 E339 | S333-D335 VanDerWaalsContact C-N 3.3Å; S333-D335 PolarHBondContact O-N 2.99Å; D335-K338 PolarHBondContact O-N 2.92Å; D335-E339 WeakPolarHBondContact O-CG 3.46Å; D335-E339 PolarHBondContact O-N 3.21Å |
| 336 | F | 96.5 | Very high | 96.6 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 7% | 0.066 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 176.3 | 176.3 | -112.7 | 0 | 0 | 0 | 111.9 | L10 H17 V19 L329 T331 S333 K338 E339 E340 | L10-F336 HydrophobicContact CD2-CE2 4.46Å; L10-F336 HydrophobicContact CD2-CZ 3.91Å; H17-F336 AromaticContact CD2-CD1 3.84Å; H17-F336 AromaticContact CD2-CG 3.94Å; H17-F336 AromaticContact CE1-CD1 3.96Å; H17-F336 AromaticContact CE1-CD2 3.24Å; H17-F336 WeakPolarHBondContact CE1-CD2 3.35Å; H17-F336 AromaticContact CE1-CE2 3.78Å; H17-F336 AromaticContact CE1-CG 3.34Å; H17-F336 WeakPolarHBondContact CE1-CG 3.37Å; H17-F336 AromaticContact ND1-CG 3.92Å; H17-F336 AromaticContact NE2-CD1 3.55Å; H17-F336 AromaticContact NE2-CD2 3.49Å; H17-F336 WeakPolarHBondContact NE2-CD2 3.36Å; H17-F336 AromaticContact NE2-CE1 3.75Å; H17-F336 AromaticContact NE2-CE2 3.67Å; H17-F336 AromaticContact NE2-CG 3.43Å; H17-F336 WeakPolarHBondContact NE2-CG 3.25Å; H17-F336 AromaticContact NE2-CZ 3.81Å; V19-F336 HydrophobicContact CG2-CD1 4.16Å; V19-F336 HydrophobicContact CG2-CE1 3.57Å; V19-F336 HydrophobicContact CG2-CZ 4.31Å; L329-F336 HydrophobicContact CD1-CE1 4.09Å; L329-F336 HydrophobicContact CD2-CD1 4.36Å; L329-F336 HydrophobicContact CD2-CE1 4.19Å; T331-F336 HydrophobicContact CG2-CD1 4.19Å; S333-F336 PolarHBondContact O-N 2.72Å; S333-F336 WeakPolarHBondContact OG-CB 3.4Å; S333-F336 PolarHBondContact OG-N 3Å; S333-F336 VanDerWaalsContact OG-N 3.11Å; F336-K338 VanDerWaalsContact C-N 3.31Å; F336-K338 PolarHBondContact O-N 2.78Å; F336-E339 PolarHBondContact O-N 3.26Å; F336-E340 WeakPolarHBondContact O-CB 3.45Å; F336-E340 PolarHBondContact O-N 3.36Å |
| 337 | A | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V90 Q92 L329 T331 S333 P334 E340 G341 | V90-A337 HydrophobicContact CB-CB 4.27Å; V90-A337 HydrophobicContact CG1-CB 3.56Å; Q92-A337 PolarHBondContact NE2-O 2.72Å; Q92-A337 PolarHBondContact OE1-O 3.02Å; Q92-A337 VanDerWaalsContact OE1-O 3.11Å; L329-A337 HydrophobicContact CD2-CB 4Å; T331-A337 HydrophobicContact CG2-CB 3.96Å; S333-A337 PolarHBondContact O-N 3.2Å; P334-A337 PolarHBondContact O-N 3.3Å; A337-E340 PolarHBondContact O-N 2.92Å; A337-G341 PolarHBondContact O-N 3.28Å |
| 338 | K | 97.8 | Very high | 96.3 | Very high | 114 Ų | 114 | 45.3 Ų | 45.3 | 50% | 0.496 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61 | -48.2 | 175.2 | -177.5 | -178.8 | 178.5 | -178.2 | 0 | 111.9 | N186 P334 D335 F336 E340 G341 E342 | N186-K338 PolarHBondContact ND2-O 2.86Å; P334-K338 WeakPolarHBondContact O-CB 3.11Å; P334-K338 PolarHBondContact O-N 2.91Å; D335-K338 PolarHBondContact O-N 2.92Å; F336-K338 VanDerWaalsContact C-N 3.31Å; F336-K338 PolarHBondContact O-N 2.78Å; K338-E340 VanDerWaalsContact C-N 3.33Å; K338-E340 PolarHBondContact O-N 3.31Å; K338-G341 PolarHBondContact O-N 3.06Å; K338-E342 WeakPolarHBondContact O-CG 2.89Å; K338-E342 PolarHBondContact O-N 3.22Å |
| 339 | E | 96.5 | Very high | 96.2 | Very high | 126 Ų | 126 | 47.4 Ų | 47.4 | 59% | 0.589 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -58.3 | -44.4 | 176.8 | -75.3 | 176.9 | -179.6 | 0 | 0 | 111.7 | D335 F336 E342 R343 | D335-E339 WeakPolarHBondContact O-CG 3.46Å; D335-E339 PolarHBondContact O-N 3.21Å; F336-E339 PolarHBondContact O-N 3.26Å; E339-E342 PolarHBondContact O-N 3.02Å; E339-R343 WeakPolarHBondContact O-CB 3.23Å; E339-R343 PolarHBondContact O-N 3.42Å |
| 340 | E | 95 | Very high | 96.2 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 178.9 | -169.8 | 69.8 | 164.7 | 0 | 0 | 112 | L329 F336 A337 K338 R343 L344 | L329-E340 HydrophobicContact CD2-CB 4.22Å; L329-E340 HydrophobicContact CD2-CG 4.32Å; F336-E340 WeakPolarHBondContact O-CB 3.45Å; F336-E340 PolarHBondContact O-N 3.36Å; A337-E340 PolarHBondContact O-N 2.92Å; K338-E340 VanDerWaalsContact C-N 3.33Å; K338-E340 PolarHBondContact O-N 3.31Å; E340-R343 PolarHBondContact O-N 2.98Å; E340-R343 IonicContact OE1-CZ 2.8Å; E340-R343 IonicContact OE1-NE 2.75Å; E340-R343 IonicContact OE1-NH2 2.88Å; E340-R343 PolarHBondContact OE1-NH2 3.22Å; E340-R343 IonicContact OE2-CZ 2.75Å; E340-R343 IonicContact OE2-NE 2.63Å; E340-R343 PolarHBondContact OE2-NE 2.7Å; E340-R343 IonicContact OE2-NH2 3.5Å; E340-R343 PolarHBondContact OE2-NH2 3.38Å; E340-R343 VanDerWaalsContact OE2-NH2 3.08Å; E340-L344 HydrophobicContact CG-CD1 3.81Å; E340-L344 HydrophobicContact CG-CG 4.43Å; E340-L344 WeakPolarHBondContact O-CB 3.35Å; E340-L344 PolarHBondContact O-N 3.24Å; E340-L344 WeakPolarHBondContact OE1-CD1 3.15Å |
| 341 | G | 95.2 | Very high | 96 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A337 K338 R343 W345 R346 | A337-G341 PolarHBondContact O-N 3.28Å; K338-G341 PolarHBondContact O-N 3.06Å; G341-R343 VanDerWaalsContact C-N 3.33Å; G341-R343 PolarHBondContact O-N 3Å; G341-W345 WeakPolarHBondContact O-CA 3.42Å; G341-W345 VanDerWaalsContact O-CB 3.3Å; G341-W345 WeakPolarHBondContact O-CB 3.08Å; G341-W345 PolarHBondContact O-N 3.11Å; G341-R346 PolarHBondContact O-N 2.9Å |
| 342 | E | 96.3 | Very high | 95.9 | Very high | 68 Ų | 68 | 53.7 Ų | 53.7 | 32% | 0.318 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -64.8 | -37.5 | 173.6 | -69.4 | -57.4 | 142.2 | 0 | 0 | 112 | N186 K338 E339 R346 | N186-E342 PolarHBondContact ND2-OE1 2.94Å; K338-E342 WeakPolarHBondContact O-CG 2.89Å; K338-E342 PolarHBondContact O-N 3.22Å; E339-E342 PolarHBondContact O-N 3.02Å; E342-R346 WeakPolarHBondContact O-CB 3.46Å; E342-R346 IonicContact OE1-CZ 3.73Å; E342-R346 IonicContact OE1-NE 2.58Å; E342-R346 IonicContact OE1-NH2 2.75Å; E342-R346 PolarHBondContact OE1-NH2 2.95Å; E342-R346 IonicContact OE2-CZ 3.96Å; E342-R346 IonicContact OE2-NE 2.69Å; E342-R346 PolarHBondContact OE2-NE 3.34Å; E342-R346 IonicContact OE2-NH2 3.67Å; E342-R346 PolarHBondContact OE2-NH2 2.93Å |
| 343 | R | 93.9 | Very high | 95.8 | Very high | 153 Ų | 153 | 53.8 Ų | 53.8 | 58% | 0.577 | 26% | 0.259 | S | S | * | . | I | π-helix | trans | -68.8 | -44.7 | -179.2 | -170.7 | -178.8 | 71 | 79.6 | -4.7 | 112.9 | E339 E340 G341 | E339-R343 WeakPolarHBondContact O-CB 3.23Å; E339-R343 PolarHBondContact O-N 3.42Å; E340-R343 PolarHBondContact O-N 2.98Å; E340-R343 IonicContact OE1-CZ 2.8Å; E340-R343 IonicContact OE1-NE 2.75Å; E340-R343 IonicContact OE1-NH2 2.88Å; E340-R343 PolarHBondContact OE1-NH2 3.22Å; E340-R343 IonicContact OE2-CZ 2.75Å; E340-R343 IonicContact OE2-NE 2.63Å; E340-R343 PolarHBondContact OE2-NE 2.7Å; E340-R343 IonicContact OE2-NH2 3.5Å; E340-R343 PolarHBondContact OE2-NH2 3.38Å; E340-R343 VanDerWaalsContact OE2-NH2 3.08Å; G341-R343 VanDerWaalsContact C-N 3.33Å; G341-R343 PolarHBondContact O-N 3Å |
| 344 | L | 92.2 | Very high | 95.7 | Very high | 45 Ų | 45 | 55.4 Ų | 55.4 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -93.7 | -45.8 | -171.6 | -66.1 | 177.4 | 0 | 0 | 0 | 112.7 | T24 N327 E340 | T24-L344 HydrophobicContact CG2-CD1 3.93Å; N327-L344 HydrophobicContact CB-CD1 4.44Å; N327-L344 VanDerWaalsContact OD1-CD1 3.3Å; N327-L344 WeakPolarHBondContact OD1-CD1 3.39Å; E340-L344 HydrophobicContact CG-CD1 3.81Å; E340-L344 HydrophobicContact CG-CG 4.43Å; E340-L344 WeakPolarHBondContact O-CB 3.35Å; E340-L344 PolarHBondContact O-N 3.24Å; E340-L344 WeakPolarHBondContact OE1-CD1 3.15Å |
| 345 | W | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -89.7 | -39.3 | -171.5 | 160.4 | 80.6 | 0 | 0 | 0 | 113.5 | T94 T167 L169 D185 G341 K347 R348 Y349 | T94-W345 HydrophobicContact CG2-CB 3.87Å; T94-W345 HydrophobicContact CG2-CG 4.03Å; T167-W345 PolarHBondContact O-NE1 3Å; L169-W345 HydrophobicContact CB-CD2 3.63Å; L169-W345 HydrophobicContact CB-CE3 3.97Å; L169-W345 HydrophobicContact CB-CG 3.85Å; L169-W345 HydrophobicContact CB-CZ2 4.49Å; L169-W345 HydrophobicContact CD1-CB 4.46Å; L169-W345 HydrophobicContact CD2-CD2 4.3Å; L169-W345 HydrophobicContact CD2-CE3 3.88Å; L169-W345 HydrophobicContact CD2-CZ3 4.45Å; D185-W345 VanDerWaalsContact CA-CH2 3.45Å; D185-W345 HydrophobicContact CB-CH2 3.43Å; D185-W345 VanDerWaalsContact CB-CH2 3.43Å; D185-W345 HydrophobicContact CB-CZ2 3.63Å; D185-W345 HydrophobicContact CB-CZ3 4.4Å; D185-W345 VanDerWaalsContact OD1-CZ2 3.25Å; D185-W345 WeakPolarHBondContact OD1-CZ2 3.34Å; G341-W345 WeakPolarHBondContact O-CA 3.42Å; G341-W345 VanDerWaalsContact O-CB 3.3Å; G341-W345 WeakPolarHBondContact O-CB 3.08Å; G341-W345 PolarHBondContact O-N 3.11Å; W345-K347 PolarHBondContact O-N 2.91Å; W345-R348 WeakPolarHBondContact O-CB 3.32Å; W345-R348 PolarHBondContact O-N 3.32Å; W345-R348 VanDerWaalsContact O-N 3.17Å; W345-Y349 AromaticContact CE2-CG 3.94Å; W345-Y349 HydrophobicContact CH2-CD1 4.32Å; W345-Y349 HydrophobicContact CH2-CG 4.33Å; W345-Y349 AromaticContact CZ2-CD1 3.95Å; W345-Y349 HydrophobicContact CZ2-CD1 3.95Å; W345-Y349 AromaticContact CZ2-CD2 3.78Å; W345-Y349 HydrophobicContact CZ2-CD2 3.78Å; W345-Y349 HydrophobicContact CZ2-CE1 4.46Å; W345-Y349 HydrophobicContact CZ2-CE2 4.31Å; W345-Y349 AromaticContact CZ2-CG 3.55Å; W345-Y349 HydrophobicContact CZ2-CG 3.55Å; W345-Y349 PolarHBondContact O-N 3.38Å |
| 346 | R | 95.7 | Very high | 95.1 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -57.1 | -49.1 | -172.5 | -178.2 | 64 | 65.3 | -169 | -2.3 | 113.2 | G341 E342 R348 Y349 D350 | G341-R346 PolarHBondContact O-N 2.9Å; E342-R346 WeakPolarHBondContact O-CB 3.46Å; E342-R346 IonicContact OE1-CZ 3.73Å; E342-R346 IonicContact OE1-NE 2.58Å; E342-R346 IonicContact OE1-NH2 2.75Å; E342-R346 PolarHBondContact OE1-NH2 2.95Å; E342-R346 IonicContact OE2-CZ 3.96Å; E342-R346 IonicContact OE2-NE 2.69Å; E342-R346 PolarHBondContact OE2-NE 3.34Å; E342-R346 IonicContact OE2-NH2 3.67Å; E342-R346 PolarHBondContact OE2-NH2 2.93Å; R346-R348 VanDerWaalsContact C-N 3.28Å; R346-R348 PolarHBondContact O-N 3Å; R346-Y349 PolarHBondContact O-N 3Å; R346-D350 WeakPolarHBondContact CD-OD1 3.46Å; R346-D350 WeakPolarHBondContact CD-OD2 3.32Å; R346-D350 WeakPolarHBondContact CG-OD2 3.34Å; R346-D350 WeakPolarHBondContact O-CB 3.41Å; R346-D350 VanDerWaalsContact O-CG 3.29Å; R346-D350 PolarHBondContact O-N 3.28Å |
| 347 | K | 91.9 | Very high | 94.9 | Very high | 114 Ų | 114 | 63 Ų | 63 | 50% | 0.496 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.1 | -44 | 179.8 | 176.1 | -170.6 | 163.9 | -156 | 0 | 111.4 | E59 W345 A351 | E59-K347 IonicContact OE2-NZ 3.63Å; E59-K347 PolarHBondContact OE2-NZ 2.68Å; W345-K347 PolarHBondContact O-N 2.91Å; K347-A351 WeakPolarHBondContact O-CB 3.44Å; K347-A351 PolarHBondContact O-N 2.88Å |
| 348 | R | 94.4 | Very high | 94.6 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.7 | -49.4 | 177.7 | 179.1 | -177.4 | 175.9 | 158.4 | -3 | 111 | V55 D60 T167 D326 W345 R346 D350 A351 E352 | V55-R348 HydrophobicContact CG2-CG 4.3Å; D60-R348 PolarHBondContact O-NH1 2.96Å; D60-R348 WeakPolarHBondContact OD1-CD 3.35Å; D60-R348 IonicContact OD1-CZ 3.87Å; D60-R348 IonicContact OD1-NE 2.76Å; D60-R348 IonicContact OD1-NH1 2.62Å; T167-R348 PolarHBondContact OG1-NE 3.03Å; T167-R348 PolarHBondContact OG1-NH2 2.67Å; D326-R348 IonicContact OD2-NH1 3.38Å; W345-R348 WeakPolarHBondContact O-CB 3.32Å; W345-R348 PolarHBondContact O-N 3.32Å; W345-R348 VanDerWaalsContact O-N 3.17Å; R346-R348 VanDerWaalsContact C-N 3.28Å; R346-R348 PolarHBondContact O-N 3Å; R348-D350 PolarHBondContact O-N 3.37Å; R348-A351 PolarHBondContact O-N 3.04Å; R348-E352 IonicContact NE-OE1 3.04Å; R348-E352 WeakPolarHBondContact O-CG 3.42Å; R348-E352 PolarHBondContact O-N 2.96Å |
| 349 | Y | 96.9 | Very high | 94.2 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 17% | 0.173 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 179.4 | -178.7 | -102.4 | 0 | 0 | 0 | 112.7 | K166 T167 H168 W345 R346 A351 E352 V353 | K166-Y349 HydrophobicContact CB-CD2 4.25Å; K166-Y349 HydrophobicContact CB-CE2 4.11Å; K166-Y349 HydrophobicContact CD-CE2 3.97Å; T167-Y349 VanDerWaalsContact O-CD2 3.23Å; T167-Y349 WeakPolarHBondContact O-CD2 3.36Å; H168-Y349 AromaticContact CE1-CE2 3.73Å; W345-Y349 AromaticContact CE2-CG 3.94Å; W345-Y349 HydrophobicContact CH2-CD1 4.32Å; W345-Y349 HydrophobicContact CH2-CG 4.33Å; W345-Y349 AromaticContact CZ2-CD1 3.95Å; W345-Y349 HydrophobicContact CZ2-CD1 3.95Å; W345-Y349 AromaticContact CZ2-CD2 3.78Å; W345-Y349 HydrophobicContact CZ2-CD2 3.78Å; W345-Y349 HydrophobicContact CZ2-CE1 4.46Å; W345-Y349 HydrophobicContact CZ2-CE2 4.31Å; W345-Y349 AromaticContact CZ2-CG 3.55Å; W345-Y349 HydrophobicContact CZ2-CG 3.55Å; W345-Y349 PolarHBondContact O-N 3.38Å; R346-Y349 PolarHBondContact O-N 3Å; Y349-A351 VanDerWaalsContact C-N 3.28Å; Y349-A351 PolarHBondContact O-N 2.55Å; Y349-E352 PolarHBondContact O-N 3.09Å; Y349-E352 VanDerWaalsContact O-N 3.13Å; Y349-V353 HydrophobicContact CD1-CG2 4.09Å; Y349-V353 HydrophobicContact CE1-CG2 3.69Å; Y349-V353 HydrophobicContact CE2-CG2 4.23Å; Y349-V353 WeakPolarHBondContact O-CG2 3.47Å; Y349-V353 PolarHBondContact O-N 3.04Å |
| 350 | D | 96.7 | Very high | 93.8 | Very high | 83 Ų | 83 | 59.5 Ų | 59.5 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -37 | -178.5 | -68.4 | -13.8 | 0 | 0 | 0 | 111.7 | R346 R348 A354 | R346-D350 WeakPolarHBondContact CD-OD1 3.46Å; R346-D350 WeakPolarHBondContact CD-OD2 3.32Å; R346-D350 WeakPolarHBondContact CG-OD2 3.34Å; R346-D350 WeakPolarHBondContact O-CB 3.41Å; R346-D350 VanDerWaalsContact O-CG 3.29Å; R346-D350 PolarHBondContact O-N 3.28Å; R348-D350 PolarHBondContact O-N 3.37Å; D350-A354 WeakPolarHBondContact O-CB 3.5Å; D350-A354 PolarHBondContact O-N 3.38Å |
| 351 | A | 95.8 | Very high | 93.6 | Very high | 37 Ų | 37 | 64.5 Ų | 64.5 | 31% | 0.306 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V55 K347 R348 Y349 A354 K355 | V55-A351 HydrophobicContact CB-CB 4.31Å; V55-A351 HydrophobicContact CG1-CB 3.53Å; V55-A351 HydrophobicContact CG2-CB 3.74Å; K347-A351 WeakPolarHBondContact O-CB 3.44Å; K347-A351 PolarHBondContact O-N 2.88Å; R348-A351 PolarHBondContact O-N 3.04Å; Y349-A351 VanDerWaalsContact C-N 3.28Å; Y349-A351 PolarHBondContact O-N 2.55Å; A351-A354 PolarHBondContact O-N 3.08Å; A351-K355 WeakPolarHBondContact O-CB 3.45Å; A351-K355 PolarHBondContact O-N 3.46Å |
| 352 | E | 95.7 | Very high | 93.4 | Very high | 17 Ų | 17 | 68.9 Ų | 68.9 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 174.6 | -69.5 | 174.2 | 152.3 | 0 | 0 | 111.4 | V55 K96 K166 T167 R348 Y349 K355 E356 | V55-E352 HydrophobicContact CG2-CG 3.82Å; K96-E352 WeakPolarHBondContact CE-OE1 3.49Å; K96-E352 IonicContact NZ-OE1 4Å; K96-E352 PolarHBondContact NZ-OE1 2.97Å; K166-E352 HydrophobicContact CG-CB 4.06Å; T167-E352 VanDerWaalsContact CB-OE2 3.28Å; T167-E352 WeakPolarHBondContact CB-OE2 3.15Å; T167-E352 PolarHBondContact N-OE2 2.94Å; T167-E352 VanDerWaalsContact OG1-CD 3.28Å; T167-E352 PolarHBondContact OG1-OE1 2.8Å; T167-E352 PolarHBondContact OG1-OE2 3.16Å; R348-E352 IonicContact NE-OE1 3.04Å; R348-E352 WeakPolarHBondContact O-CG 3.42Å; R348-E352 PolarHBondContact O-N 2.96Å; Y349-E352 PolarHBondContact O-N 3.09Å; Y349-E352 VanDerWaalsContact O-N 3.13Å; E352-K355 PolarHBondContact O-N 2.76Å; E352-E356 PolarHBondContact O-N 3.07Å |
| 353 | V | 96 | Very high | 93.1 | Very high | 32 Ų | 32 | 70.6 Ų | 70.6 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 173.5 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | K166 Y349 K355 E356 Q357 | K166-V353 HydrophobicContact CD-CG2 3.64Å; Y349-V353 HydrophobicContact CD1-CG2 4.09Å; Y349-V353 HydrophobicContact CE1-CG2 3.69Å; Y349-V353 HydrophobicContact CE2-CG2 4.23Å; Y349-V353 WeakPolarHBondContact O-CG2 3.47Å; Y349-V353 PolarHBondContact O-N 3.04Å; V353-K355 VanDerWaalsContact C-N 3.29Å; V353-K355 PolarHBondContact O-N 2.99Å; V353-E356 PolarHBondContact O-N 2.73Å; V353-Q357 HydrophobicContact CG1-CG 4.45Å; V353-Q357 WeakPolarHBondContact O-CG 3.38Å; V353-Q357 PolarHBondContact O-N 2.62Å |
| 354 | A | 95.3 | Very high | 92.9 | Very high | 56 Ų | 56 | 69.5 Ų | 69.5 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D350 A351 S358 | D350-A354 WeakPolarHBondContact O-CB 3.5Å; D350-A354 PolarHBondContact O-N 3.38Å; A351-A354 PolarHBondContact O-N 3.08Å; A354-S358 PolarHBondContact O-N 3.21Å; A354-S358 PolarHBondContact O-OG 2.57Å |
| 355 | K | 91.8 | Very high | 92.9 | Very high | 115 Ų | 115 | 71.9 Ų | 71.9 | 50% | 0.5 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64 | -48.3 | 176.3 | -172.9 | 178.3 | 178.5 | -179.1 | 0 | 111.9 | S53 A351 E352 V353 Q357 S358 S359 | S53-K355 PolarHBondContact OG-NZ 2.97Å; S53-K355 VanDerWaalsContact OG-NZ 3.13Å; A351-K355 WeakPolarHBondContact O-CB 3.45Å; A351-K355 PolarHBondContact O-N 3.46Å; E352-K355 PolarHBondContact O-N 2.76Å; V353-K355 VanDerWaalsContact C-N 3.29Å; V353-K355 PolarHBondContact O-N 2.99Å; K355-Q357 VanDerWaalsContact C-N 3.32Å; K355-Q357 PolarHBondContact O-N 3.02Å; K355-S358 PolarHBondContact O-N 3.29Å; K355-S358 PolarHBondContact O-OG 3.16Å; K355-S359 PolarHBondContact O-N 3.48Å; K355-S359 PolarHBondContact O-OG 2.89Å |
| 356 | E | 90.6 | Very high | 92.5 | Very high | 92 Ų | 92 | 77.8 Ų | 77.8 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 178 | -178.1 | 175.3 | -131.7 | 0 | 0 | 112 | K166 E352 V353 S359 A360 | K166-E356 IonicContact NZ-OE1 2.79Å; K166-E356 PolarHBondContact NZ-OE1 3.02Å; K166-E356 IonicContact NZ-OE2 2.76Å; K166-E356 PolarHBondContact NZ-OE2 2.93Å; E352-E356 PolarHBondContact O-N 3.07Å; V353-E356 PolarHBondContact O-N 2.73Å; E356-S359 WeakPolarHBondContact CA-OG 3.13Å; E356-S359 PolarHBondContact O-OG 3.46Å; E356-A360 WeakPolarHBondContact O-CB 3.45Å; E356-A360 PolarHBondContact O-N 3.21Å |
| 357 | Q | 92.6 | Very high | 92.2 | Very high | 132 Ų | 132 | 77.4 Ų | 77.4 | 62% | 0.617 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.6 | -39.3 | 176.6 | -72 | 177 | 2.1 | 0 | 0 | 112.5 | V353 K355 K361 | V353-Q357 HydrophobicContact CG1-CG 4.45Å; V353-Q357 WeakPolarHBondContact O-CG 3.38Å; V353-Q357 PolarHBondContact O-N 2.62Å; K355-Q357 VanDerWaalsContact C-N 3.32Å; K355-Q357 PolarHBondContact O-N 3.02Å; Q357-K361 PolarHBondContact O-N 3.31Å; Q357-K361 VanDerWaalsContact O-N 3.11Å |
| 358 | S | 91.5 | Very high | 92.1 | Very high | 58 Ų | 58 | 77 Ų | 77 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 176.1 | 65.2 | 0 | 0 | 0 | 0 | 112 | A354 K355 A360 K361 D362 | A354-S358 PolarHBondContact O-N 3.21Å; A354-S358 PolarHBondContact O-OG 2.57Å; K355-S358 PolarHBondContact O-N 3.29Å; K355-S358 PolarHBondContact O-OG 3.16Å; S358-A360 VanDerWaalsContact C-N 3.33Å; S358-A360 PolarHBondContact O-N 3.32Å; S358-K361 WeakPolarHBondContact O-CB 3.43Å; S358-K361 PolarHBondContact O-N 3.33Å; S358-K361 VanDerWaalsContact O-N 3.11Å; S358-D362 PolarHBondContact O-N 3.13Å |
| 359 | S | 88.7 | Confident | 91.7 | Very high | 52 Ų | 52 | 83.2 Ų | 83.2 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 176.7 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | K355 E356 K361 D362 D363 | K355-S359 PolarHBondContact O-N 3.48Å; K355-S359 PolarHBondContact O-OG 2.89Å; E356-S359 WeakPolarHBondContact CA-OG 3.13Å; E356-S359 PolarHBondContact O-OG 3.46Å; S359-K361 VanDerWaalsContact C-N 3.25Å; S359-K361 PolarHBondContact O-N 3.11Å; S359-D362 PolarHBondContact O-N 2.76Å; S359-D363 WeakPolarHBondContact O-CB 3.42Å; S359-D363 PolarHBondContact O-N 2.96Å |
| 360 | A | 89 | Confident | 91.1 | Very high | 57 Ų | 57 | 84.1 Ų | 84.1 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66 | -28.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E356 S358 K364 | E356-A360 WeakPolarHBondContact O-CB 3.45Å; E356-A360 PolarHBondContact O-N 3.21Å; S358-A360 VanDerWaalsContact C-N 3.33Å; S358-A360 PolarHBondContact O-N 3.32Å; A360-K364 WeakPolarHBondContact O-CB 3.24Å; A360-K364 PolarHBondContact O-N 2.69Å |
| 361 | K | 90.5 | Very high | 90.7 | Very high | 121 Ų | 121 | 86.2 Ų | 86.2 | 53% | 0.526 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -73.6 | -46.1 | 174.5 | -170.4 | 176.3 | 179.4 | -78 | 0 | 110.9 | Q357 S358 S359 K364 E365 | Q357-K361 PolarHBondContact O-N 3.31Å; Q357-K361 VanDerWaalsContact O-N 3.11Å; S358-K361 WeakPolarHBondContact O-CB 3.43Å; S358-K361 PolarHBondContact O-N 3.33Å; S358-K361 VanDerWaalsContact O-N 3.11Å; S359-K361 VanDerWaalsContact C-N 3.25Å; S359-K361 PolarHBondContact O-N 3.11Å; K361-K364 PolarHBondContact O-N 3.34Å; K361-E365 IonicContact NZ-OE1 2.8Å; K361-E365 PolarHBondContact NZ-OE1 3.39Å; K361-E365 WeakPolarHBondContact O-CG 3.06Å; K361-E365 PolarHBondContact O-N 2.88Å |
| 362 | D | 90.6 | Very high | 90 | Very high | 95 Ų | 95 | 91.3 Ų | 91.3 | 51% | 0.508 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 178.4 | -63.2 | -15.5 | 0 | 0 | 0 | 110.8 | S358 S359 K364 E365 E366 | S358-D362 PolarHBondContact O-N 3.13Å; S359-D362 PolarHBondContact O-N 2.76Å; D362-K364 VanDerWaalsContact C-N 3.27Å; D362-K364 PolarHBondContact O-N 2.89Å; D362-E365 PolarHBondContact O-N 2.92Å; D362-E366 WeakPolarHBondContact O-CB 3.43Å; D362-E366 PolarHBondContact O-N 3.25Å |
| 363 | D | 90 | Very high | 89.4 | Confident | 104 Ų | 104 | 100.1 Ų | 100.1 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.2 | -37.2 | 176 | -70.5 | -17.2 | 0 | 0 | 0 | 112.1 | S359 A367 | S359-D363 WeakPolarHBondContact O-CB 3.42Å; S359-D363 PolarHBondContact O-N 2.96Å; D363-A367 VanDerWaalsContact O-CB 3.28Å; D363-A367 WeakPolarHBondContact O-CB 3.49Å; D363-A367 PolarHBondContact O-N 2.96Å |
| 364 | K | 90.4 | Very high | 88.8 | Confident | 129 Ų | 129 | 106.7 Ų | 106.7 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.5 | -42.6 | 178.5 | -174.7 | -178.5 | 174.1 | -168.9 | 0 | 111.6 | A360 K361 D362 A367 E368 | A360-K364 WeakPolarHBondContact O-CB 3.24Å; A360-K364 PolarHBondContact O-N 2.69Å; K361-K364 PolarHBondContact O-N 3.34Å; D362-K364 VanDerWaalsContact C-N 3.27Å; D362-K364 PolarHBondContact O-N 2.89Å; K364-A367 PolarHBondContact O-N 3.11Å; K364-E368 WeakPolarHBondContact CE-OE1 3.47Å; K364-E368 IonicContact NZ-OE1 2.69Å; K364-E368 WeakPolarHBondContact O-CG 3.36Å; K364-E368 PolarHBondContact O-N 3.41Å |
| 365 | E | 90.7 | Very high | 87.9 | Confident | 96 Ų | 96 | 110.4 Ų | 110.4 | 45% | 0.449 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 176 | -73.3 | 179.8 | -173.2 | 0 | 0 | 110.8 | K361 D362 A367 E368 E369 | K361-E365 IonicContact NZ-OE1 2.8Å; K361-E365 PolarHBondContact NZ-OE1 3.39Å; K361-E365 WeakPolarHBondContact O-CG 3.06Å; K361-E365 PolarHBondContact O-N 2.88Å; D362-E365 PolarHBondContact O-N 2.92Å; E365-A367 VanDerWaalsContact C-N 3.35Å; E365-A367 PolarHBondContact O-N 3.28Å; E365-E368 PolarHBondContact O-N 3.46Å; E365-E369 WeakPolarHBondContact O-CB 3.38Å; E365-E369 PolarHBondContact O-N 2.91Å |
| 366 | E | 86.9 | Confident | 86.7 | Confident | 124 Ų | 124 | 110.7 Ų | 110.7 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.1 | -38.7 | 175.4 | -172.3 | 177.3 | 179.1 | 0 | 0 | 111.9 | D362 T370 | D362-E366 WeakPolarHBondContact O-CB 3.43Å; D362-E366 PolarHBondContact O-N 3.25Å; E366-T370 VanDerWaalsContact O-CB 3.23Å; E366-T370 WeakPolarHBondContact O-CB 3.28Å; E366-T370 PolarHBondContact O-N 3.24Å; E366-T370 PolarHBondContact O-OG1 3.05Å |
| 367 | A | 90 | Very high | 85.2 | Confident | 59 Ų | 59 | 110.7 Ų | 110.7 | 49% | 0.488 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.6 | -38.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D363 K364 E365 K371 | D363-A367 VanDerWaalsContact O-CB 3.28Å; D363-A367 WeakPolarHBondContact O-CB 3.49Å; D363-A367 PolarHBondContact O-N 2.96Å; K364-A367 PolarHBondContact O-N 3.11Å; E365-A367 VanDerWaalsContact C-N 3.35Å; E365-A367 PolarHBondContact O-N 3.28Å; A367-K371 WeakPolarHBondContact O-CB 3.48Å; A367-K371 PolarHBondContact O-N 3.3Å |
| 368 | E | 90.2 | Very high | 83.7 | Confident | 105 Ų | 105 | 111.6 Ų | 111.6 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.3 | -46.8 | 175.3 | -75.7 | 179.8 | -178.7 | 0 | 0 | 111.3 | K364 E365 T370 K371 E372 | K364-E368 WeakPolarHBondContact CE-OE1 3.47Å; K364-E368 IonicContact NZ-OE1 2.69Å; K364-E368 WeakPolarHBondContact O-CG 3.36Å; K364-E368 PolarHBondContact O-N 3.41Å; E365-E368 PolarHBondContact O-N 3.46Å; E368-T370 VanDerWaalsContact C-N 3.33Å; E368-T370 PolarHBondContact O-N 2.92Å; E368-K371 WeakPolarHBondContact O-CB 3.35Å; E368-K371 PolarHBondContact O-N 3.32Å; E368-K371 VanDerWaalsContact O-N 3.11Å; E368-E372 PolarHBondContact O-N 2.99Å |
| 369 | E | 85 | Confident | 82 | Confident | 139 Ų | 139 | 115.7 Ų | 115.7 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.9 | -40.4 | 176 | -167.9 | -179.4 | -178.3 | 0 | 0 | 111.6 | E365 K371 E372 R373 | E365-E369 WeakPolarHBondContact O-CB 3.38Å; E365-E369 PolarHBondContact O-N 2.91Å; E369-K371 VanDerWaalsContact C-N 3.31Å; E369-K371 PolarHBondContact O-N 3.37Å; E369-E372 PolarHBondContact O-N 3.15Å; E369-R373 WeakPolarHBondContact O-CB 3.47Å; E369-R373 PolarHBondContact O-N 3.05Å |
| 370 | T | 85.9 | Confident | 80.1 | Confident | 64 Ų | 64 | 117.4 Ų | 117.4 | 39% | 0.393 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.6 | -35.8 | 175.2 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | E366 E368 K374 | E366-T370 VanDerWaalsContact O-CB 3.23Å; E366-T370 WeakPolarHBondContact O-CB 3.28Å; E366-T370 PolarHBondContact O-N 3.24Å; E366-T370 PolarHBondContact O-OG1 3.05Å; E368-T370 VanDerWaalsContact C-N 3.33Å; E368-T370 PolarHBondContact O-N 2.92Å; T370-K374 WeakPolarHBondContact O-CG 3.42Å; T370-K374 PolarHBondContact O-N 3.01Å |
| 371 | K | 87.5 | Confident | 77.9 | Confident | 127 Ų | 127 | 124 Ų | 124 | 55% | 0.552 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.9 | -46 | 177.5 | -170.9 | -178.3 | 172.9 | -169.6 | 0 | 111.1 | A367 E368 E369 R373 K374 E375 | A367-K371 WeakPolarHBondContact O-CB 3.48Å; A367-K371 PolarHBondContact O-N 3.3Å; E368-K371 WeakPolarHBondContact O-CB 3.35Å; E368-K371 PolarHBondContact O-N 3.32Å; E368-K371 VanDerWaalsContact O-N 3.11Å; E369-K371 VanDerWaalsContact C-N 3.31Å; E369-K371 PolarHBondContact O-N 3.37Å; K371-R373 VanDerWaalsContact C-N 3.29Å; K371-R373 PolarHBondContact O-N 3.44Å; K371-K374 PolarHBondContact O-N 2.73Å; K371-E375 WeakPolarHBondContact CE-OE1 3.23Å; K371-E375 IonicContact NZ-OE1 3.93Å; K371-E375 PolarHBondContact O-N 2.96Å |
| 372 | E | 80.9 | Confident | 75.6 | Confident | 143 Ų | 143 | 122.1 Ų | 122.1 | 67% | 0.668 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.9 | -42.3 | 174.4 | -74.2 | -170.9 | 170.2 | 0 | 0 | 111.4 | E368 E369 K374 E375 L376 | E368-E372 PolarHBondContact O-N 2.99Å; E369-E372 PolarHBondContact O-N 3.15Å; E372-K374 PolarHBondContact O-N 2.91Å; E372-E375 PolarHBondContact O-N 3.46Å; E372-E375 VanDerWaalsContact O-N 3.15Å; E372-L376 PolarHBondContact O-N 3.24Å |
| 373 | R | 82.6 | Confident | 73.3 | Confident | 203 Ų | 203 | 122.6 Ų | 122.6 | 77% | 0.766 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.8 | -25.2 | 177 | -163.6 | 172.1 | -170.5 | -96.3 | 3.8 | 113.8 | E369 K371 | E369-R373 WeakPolarHBondContact O-CB 3.47Å; E369-R373 PolarHBondContact O-N 3.05Å; K371-R373 VanDerWaalsContact C-N 3.29Å; K371-R373 PolarHBondContact O-N 3.44Å |
| 374 | K | 83.3 | Confident | 71.1 | Confident | 169 Ų | 169 | 125.5 Ų | 125.5 | 74% | 0.735 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -87.6 | -21.9 | 175.5 | -74.8 | 178 | -179.2 | 175.7 | 0 | 113.5 | T370 K371 E372 | T370-K374 WeakPolarHBondContact O-CG 3.42Å; T370-K374 PolarHBondContact O-N 3.01Å; K371-K374 PolarHBondContact O-N 2.73Å; E372-K374 PolarHBondContact O-N 2.91Å |
| 375 | E | 78.1 | Confident | 68.6 | Low | 135 Ų | 135 | 128 Ų | 128 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -90.3 | -8.9 | 179.2 | -71.1 | -175.1 | -178.2 | 0 | 0 | 113.3 | K371 E372 | K371-E375 WeakPolarHBondContact CE-OE1 3.23Å; K371-E375 IonicContact NZ-OE1 3.93Å; K371-E375 PolarHBondContact O-N 2.96Å; E372-E375 PolarHBondContact O-N 3.46Å; E372-E375 VanDerWaalsContact O-N 3.15Å |
| 376 | L | 65.5 | Low | 66.4 | Low | 120 Ų | 120 | 129.2 Ų | 129.2 | 63% | 0.628 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -62.8 | 127.6 | 170.1 | -73.7 | 168.6 | 0 | 0 | 0 | 110.5 | E372 | E372-L376 PolarHBondContact O-N 3.24Š|
| 377 | P | 59.4 | Low | 64.3 | Low | 93 Ų | 93 | 128.3 Ų | 128.3 | 60% | 0.604 | 69% | 0.687 | S | S | * | * | trans | -61.3 | 137.9 | 179.3 | -18.1 | 29 | 0 | 0 | 0 | 111.8 | D379 A380 | P377-D379 PolarHBondContact O-N 3.26Å; P377-A380 PolarHBondContact O-N 3.23Å; P377-A380 VanDerWaalsContact O-N 3.13Å | ||
| 378 | D | 61.4 | Low | 61.9 | Low | 151 Ų | 151 | 128.8 Ų | 128.8 | 81% | 0.807 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -57.4 | -17.5 | 176.5 | -82.7 | -34.7 | 0 | 0 | 0 | 113.4 | A380 K381 | D378-A380 PolarHBondContact O-N 3.39Å; D378-K381 PolarHBondContact O-N 3.13Å |
| 379 | D | 55.8 | Low | 59.8 | Low | 143 Ų | 143 | 131.8 Ų | 131.8 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -73.3 | -6.1 | 178 | -72.5 | -34.1 | 0 | 0 | 0 | 114.5 | P377 K381 | P377-D379 PolarHBondContact O-N 3.26Å; D379-K381 PolarHBondContact O-N 2.99Å |
| 380 | A | 49.1 | Very low | 57.5 | Low | 88 Ų | 88 | 132.7 Ų | 132.7 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -79 | 0.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P377 D378 | P377-A380 PolarHBondContact O-N 3.23Å; P377-A380 VanDerWaalsContact O-N 3.13Å; D378-A380 PolarHBondContact O-N 3.39Å |
| 381 | K | 43.2 | Very low | 55.5 | Low | 196 Ų | 196 | 136.6 Ų | 136.6 | 85% | 0.852 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -106.6 | 16 | 173.8 | -81.4 | -170.7 | 179.2 | 174.8 | 0 | 114.9 | D378 D379 | D378-K381 PolarHBondContact O-N 3.13Å; D379-K381 PolarHBondContact O-N 2.99Å |
| 382 | A | 42.1 | Very low | 53.2 | Low | 81 Ų | 81 | 138.2 Ų | 138.2 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | trans | -124.3 | 65.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 383 | S | 41.1 | Very low | 51.3 | Low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -157.5 | 72.6 | 154 | 68 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 384 | D | 43.6 | Very low | 49.8 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | -149.6 | 65.7 | 150 | -87.7 | -32.1 | 0 | 0 | 0 | 106.7 | P386 | D384-P386 WeakPolarHBondContact O-CD 3.12Š| ||
| 385 | E | 38.3 | Very low | 48 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -81 | 108.1 | 152 | -79.3 | -169.9 | 164.8 | 0 | 0 | 107.3 | S387 | E385-S387 VanDerWaalsContact C-N 3.26Å; E385-S387 PolarHBondContact O-N 3.17Å; E385-S387 VanDerWaalsContact O-N 3.17Å | ||
| 386 | P | 45.3 | Very low | 46.3 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -76.1 | 91.8 | 149.7 | 30 | -27.1 | 0 | 0 | 0 | 106.5 | D384 G388 | D384-P386 WeakPolarHBondContact O-CD 3.12Å; P386-G388 PolarHBondContact O-N 3.22Å | ||
| 387 | S | 42.9 | Very low | 45.2 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -54.6 | 121.5 | 158.4 | 57.1 | 0 | 0 | 0 | 0 | 107.5 | E385 | E385-S387 VanDerWaalsContact C-N 3.26Å; E385-S387 PolarHBondContact O-N 3.17Å; E385-S387 VanDerWaalsContact O-N 3.17Å | ||
| 388 | G | 38.3 | Very low | 44.3 | Very low | 68 Ų | 68 | 142.8 Ų | 142.8 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -61.7 | 157.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P386 | P386-G388 PolarHBondContact O-N 3.22Š| ||
| 389 | D | 45.9 | Very low | 43.2 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -119.9 | 110 | 142.3 | -101.5 | -28.2 | 0 | 0 | 0 | 107.6 | ||||
| 390 | H | 37.6 | Very low | 42.3 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -59.4 | 148.1 | 152.4 | -116.3 | -85.2 | 0 | 0 | 0 | 109 | ||||
| 391 | D | 44.4 | Very low | 41.8 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | trans | 160.9 | 94.6 | 140.9 | -80.7 | -13.1 | 0 | 0 | 0 | 107.2 | ||||
| 392 | E | 38.5 | Very low | 41.7 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 76% | 0.757 | 82% | 0.818 | S | S | * | * | 51.1 | 95.6 | 94.1 | -71.2 | -155.2 | 173.5 | 0 | 0 | 114 | |||||
| 393 | L | 41.9 | Very low | 41.6 | Very low | 245 Ų | 245 | 147.8 Ų | 147.8 | 100% | 1.283 | 83% | 0.832 | S | S | * | * | 174.2 | 0 | 110 | -88.8 | 168.6 | 0 | 0 | 0 | 111.7 |
Retrieved 393 of 393 residues in 481.1 ms
(Link to these results)