| 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 | 62 | Low | 75.3 | Confident | 102 Ų | 102 | 83.5 Ų | 83.5 | 50% | 0.502 | 46% | 0.462 | S | S | . | . | 0 | 153 | 0 | -93.3 | -170.4 | -64 | 0 | 0 | 112.5 | N3 P121 D125 E228 | M1-N3 PolarHBondContact O-N 3.39Å; M1-P121 HydrophobicContact CE-CB 3.34Å; M1-P121 HydrophobicContact CE-CG 4.39Å; M1-P121 HydrophobicContact SD-CB 3.67Å; M1-P121 HydrophobicContact SD-CG 4.46Å; M1-D125 PolarHBondContact N-OD1 2.74Å; M1-D125 VanDerWaalsContact N-OD1 3.16Å; M1-E228 WeakPolarHBondContact CB-OE1 3.08Å; M1-E228 VanDerWaalsContact CG-OE1 3.3Å; M1-E228 WeakPolarHBondContact CG-OE1 3.46Å; M1-E228 VanDerWaalsContact SD-OE1 3.37Å | |||
| 2 | W | 73.2 | Confident | 76.7 | Confident | 25 Ų | 25 | 82 Ų | 82 | 10% | 0.095 | 48% | 0.481 | C | S | . | . | trans | -72.9 | 93.7 | -178.1 | 176.1 | -93.9 | 0 | 0 | 0 | 110.9 | E4 F31 K34 E228 L230 | W2-E4 HydrophobicContact CZ2-CB 4.12Å; W2-E4 HydrophobicContact CZ2-CG 4.08Å; W2-F31 HydrophobicContact CE3-CD2 4.14Å; W2-F31 HydrophobicContact CH2-CB 3.94Å; W2-F31 HydrophobicContact CH2-CD2 4.19Å; W2-F31 HydrophobicContact CZ2-CB 4.48Å; W2-F31 HydrophobicContact CZ3-CB 4.31Å; W2-F31 AromaticContact CZ3-CD2 3.75Å; W2-F31 HydrophobicContact CZ3-CD2 3.75Å; W2-K34 HydrophobicContact CE3-CD 3.65Å; W2-K34 HydrophobicContact CH2-CD 4.13Å; W2-K34 HydrophobicContact CZ3-CB 4.05Å; W2-K34 HydrophobicContact CZ3-CD 3.27Å; W2-K34 HydrophobicContact CZ3-CG 4.27Å; W2-E228 WeakPolarHBondContact CA-OE2 3.29Å; W2-E228 VanDerWaalsContact CB-OE2 3.23Å; W2-E228 WeakPolarHBondContact CB-OE2 3.46Å; W2-E228 PolarHBondContact N-OE1 3.38Å; W2-E228 PolarHBondContact N-OE2 3.31Å; W2-L230 HydrophobicContact CB-CD2 4.22Å | ||
| 3 | N | 70.6 | Confident | 78 | Confident | 134 Ų | 134 | 85.2 Ų | 85.2 | 72% | 0.717 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -91 | 121.6 | 157.9 | -160.2 | -3.5 | 0 | 0 | 0 | 108 | M1 S5 K34 | M1-N3 PolarHBondContact O-N 3.39Å; N3-S5 PolarHBondContact O-N 3.06Å; N3-K34 PolarHBondContact O-NZ 3.27Å |
| 4 | E | 68.7 | Low | 79.4 | Confident | 69 Ų | 69 | 80.9 Ų | 80.9 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 117 | 176.5 | -173.1 | 164.8 | 179.8 | 0 | 0 | 108.1 | W2 R30 | W2-E4 HydrophobicContact CZ2-CB 4.12Å; W2-E4 HydrophobicContact CZ2-CG 4.08Å; E4-R30 IonicContact OE1-CZ 3.4Å; E4-R30 IonicContact OE1-NE 2.71Å; E4-R30 PolarHBondContact OE1-NE 3.28Å; E4-R30 IonicContact OE1-NH2 3.95Å; E4-R30 PolarHBondContact OE1-NH2 2.75Å |
| 5 | S | 67.1 | Low | 80.6 | Confident | 40 Ų | 40 | 80.5 Ų | 80.5 | 28% | 0.28 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 138.1 | 178.5 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | N3 E7 R30 | N3-S5 PolarHBondContact O-N 3.06Å; S5-E7 PolarHBondContact O-N 3.18Å; S5-R30 WeakPolarHBondContact O-CD 3.49Å |
| 6 | N | 70.3 | Confident | 81.7 | Confident | 168 Ų | 168 | 78.6 Ų | 78.6 | 90% | 0.898 | 47% | 0.473 | S | S | * | . | trans | -76.7 | -5.1 | 168.2 | -73.8 | -26 | 0 | 0 | 0 | 112.4 | ||||
| 7 | E | 71.7 | Confident | 82.6 | Confident | 144 Ų | 144 | 79.5 Ų | 79.5 | 67% | 0.673 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -67.8 | 149.9 | 178.6 | -63.7 | -177.6 | 177 | 0 | 0 | 112.1 | S5 | S5-E7 PolarHBondContact O-N 3.18Š|
| 8 | S | 78.2 | Confident | 83.4 | Confident | 110 Ų | 110 | 77.8 Ų | 77.8 | 77% | 0.769 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 131 | 174.3 | -69.4 | 0 | 0 | 0 | 0 | 110 | S10 | S8-S10 PolarHBondContact O-N 3.38Š|
| 9 | P | 83.6 | Confident | 84.1 | Confident | 31 Ų | 31 | 76.2 Ų | 76.2 | 20% | 0.201 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 130.2 | 177.6 | -9.9 | 15 | 0 | 0 | 0 | 111.5 | F21 K26 Q29 R30 | P9-F21 HydrophobicContact CB-CE1 4.16Å; P9-F21 HydrophobicContact CB-CZ 4.09Å; P9-K26 HydrophobicContact CG-CD 3.96Å; P9-Q29 HydrophobicContact CB-CB 3.37Å; P9-Q29 HydrophobicContact CG-CB 3.74Å; P9-R30 HydrophobicContact CB-CG 4.21Å; P9-R30 HydrophobicContact CG-CG 3.81Å |
| 10 | S | 88.7 | Confident | 84.6 | Confident | 75 Ų | 75 | 80.2 Ų | 80.2 | 52% | 0.524 | 47% | 0.471 | S | S | . | . | trans | -145.6 | 149.5 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | S8 G12 G33 | S8-S10 PolarHBondContact O-N 3.38Å; S10-G12 PolarHBondContact OG-N 2.78Å; S10-G33 VanDerWaalsContact O-CA 3.29Å; S10-G33 WeakPolarHBondContact O-CA 3.34Å | ||
| 11 | L | 94.1 | Very high | 85.2 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 11% | 0.105 | 45% | 0.45 | C | S | . | . | trans | -97.2 | 2.3 | 169.7 | -63.5 | -178.8 | 0 | 0 | 0 | 112.3 | S13 V14 V16 F21 V32 V36 V44 | L11-S13 PolarHBondContact O-N 2.83Å; L11-V14 WeakPolarHBondContact O-CB 3.47Å; L11-V14 PolarHBondContact O-N 3.22Å; L11-V16 HydrophobicContact CD1-CG2 3.39Å; L11-F21 HydrophobicContact CD1-CB 3.97Å; L11-F21 HydrophobicContact CD1-CD1 4.3Å; L11-F21 HydrophobicContact CD1-CD2 3.72Å; L11-F21 HydrophobicContact CD1-CE2 4.26Å; L11-F21 HydrophobicContact CD1-CG 3.75Å; L11-F21 HydrophobicContact CD2-CD2 3.75Å; L11-F21 HydrophobicContact CD2-CE2 3.47Å; L11-F21 VanDerWaalsContact CD2-CE2 3.47Å; L11-F21 HydrophobicContact CD2-CG 4.45Å; L11-F21 HydrophobicContact CD2-CZ 3.92Å; L11-F21 HydrophobicContact CG-CD1 4.16Å; L11-F21 HydrophobicContact CG-CD2 3.79Å; L11-F21 HydrophobicContact CG-CE1 4.16Å; L11-F21 HydrophobicContact CG-CE2 3.81Å; L11-F21 HydrophobicContact CG-CG 3.98Å; L11-F21 HydrophobicContact CG-CZ 3.99Å; L11-V32 HydrophobicContact CD2-CG1 4.19Å; L11-V36 HydrophobicContact CD2-CB 4.23Å; L11-V36 HydrophobicContact CD2-CG1 4.3Å; L11-V36 HydrophobicContact CD2-CG2 3.91Å; L11-V44 HydrophobicContact CD1-CG2 4.32Å; L11-V44 HydrophobicContact CD2-CG2 4.23Å | ||
| 12 | G | 92.2 | Very high | 86.8 | Confident | 66 Ų | 66 | 78.5 Ų | 78.5 | 68% | 0.68 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | -128.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111 | S10 | S10-G12 PolarHBondContact OG-N 2.78Š|
| 13 | S | 93.7 | Very high | 87.7 | Confident | 123 Ų | 123 | 81 Ų | 81 | 86% | 0.86 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1 | 177.4 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | L11 | L11-S13 PolarHBondContact O-N 2.83Š|
| 14 | V | 97.3 | Very high | 89 | Confident | 26 Ų | 26 | 74.9 Ų | 74.9 | 16% | 0.158 | 45% | 0.45 | C | S | . | . | trans | -76.8 | 122.5 | -176.9 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | L11 V36 P41 V44 | L11-V14 WeakPolarHBondContact O-CB 3.47Å; L11-V14 PolarHBondContact O-N 3.22Å; V14-V36 HydrophobicContact CB-CG1 3.81Å; V14-V36 HydrophobicContact CG1-CG1 4.09Å; V14-V36 HydrophobicContact CG2-CG1 3.71Å; V14-P41 HydrophobicContact CG1-CG 4.32Å; V14-P41 WeakPolarHBondContact CG1-O 3.49Å; V14-V44 HydrophobicContact CG1-CG2 4Å | ||
| 15 | P | 97.7 | Very high | 90.2 | Very high | 74 Ų | 74 | 71.9 Ų | 71.9 | 48% | 0.481 | 44% | 0.437 | S | S | . | . | trans | -74.6 | 149.7 | -177 | 30.6 | -35.4 | 0 | 0 | 0 | 112.3 | G43 V44 | P15-G43 CarbonylContact O-C 3.56Å; P15-G43 VanDerWaalsContact O-CA 3.28Å; P15-G43 WeakPolarHBondContact O-CA 3.43Å; P15-V44 PolarHBondContact O-N 3.38Å | ||
| 16 | V | 98.1 | Very high | 91.5 | Very high | 51 Ų | 51 | 75.5 Ų | 75.5 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 113 | 164.9 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | L11 K18 G19 F21 V44 I46 | L11-V16 HydrophobicContact CD1-CG2 3.39Å; V16-K18 VanDerWaalsContact CG1-O 3.25Å; V16-K18 WeakPolarHBondContact CG1-O 3.11Å; V16-G19 WeakPolarHBondContact CG1-O 3.34Å; V16-F21 HydrophobicContact CG2-CB 4Å; V16-V44 CarbonylContact C-O 3.54Å; V16-V44 WeakPolarHBondContact CA-O 3.35Å; V16-I46 HydrophobicContact CG1-CD1 4.39Å |
| 17 | I | 96.8 | Very high | 92.6 | Very high | 94 Ų | 94 | 68.5 Ų | 68.5 | 48% | 0.482 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -37.9 | 179.2 | -61.2 | 173.5 | 0 | 0 | 0 | 110.5 | V44 Y45 V140 | I17-V44 PolarHBondContact N-O 2.89Å; I17-Y45 HydrophobicContact CG2-CD2 4.24Å; I17-V140 HydrophobicContact CD1-CB 4.47Å; I17-V140 HydrophobicContact CD1-CG1 4.07Å; I17-V140 HydrophobicContact CD1-CG2 3.61Å |
| 18 | K | 97.1 | Very high | 93.8 | Very high | 49 Ų | 49 | 61.7 Ų | 61.7 | 21% | 0.213 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 146.2 | 176.1 | -169.4 | -175 | 175.5 | -164.2 | 0 | 111.5 | V16 Y45 I46 D48 E53 | V16-K18 VanDerWaalsContact CG1-O 3.25Å; V16-K18 WeakPolarHBondContact CG1-O 3.11Å; K18-Y45 HydrophobicContact CB-CD1 4.21Å; K18-Y45 HydrophobicContact CB-CD2 3.68Å; K18-Y45 HydrophobicContact CB-CE1 4.22Å; K18-Y45 HydrophobicContact CB-CE2 3.69Å; K18-Y45 HydrophobicContact CB-CG 3.96Å; K18-Y45 HydrophobicContact CD-CD1 4.29Å; K18-Y45 HydrophobicContact CD-CD2 4.41Å; K18-Y45 HydrophobicContact CD-CE1 3.51Å; K18-Y45 HydrophobicContact CD-CE2 3.66Å; K18-Y45 WeakPolarHBondContact CD-OH 3.46Å; K18-Y45 HydrophobicContact CG-CE1 4.42Å; K18-Y45 HydrophobicContact CG-CE2 4.31Å; K18-Y45 PolarHBondContact NZ-OH 3.48Å; K18-I46 PolarHBondContact O-N 3.22Å; K18-D48 VanDerWaalsContact CE-OD2 3.26Å; K18-D48 WeakPolarHBondContact CE-OD2 3.49Å; K18-D48 IonicContact NZ-OD1 3.64Å; K18-D48 IonicContact NZ-OD2 3.26Å; K18-D48 PolarHBondContact NZ-OD2 3.06Å; K18-E53 IonicContact NZ-OE2 3.93Å; K18-E53 PolarHBondContact NZ-OE2 3.24Å |
| 19 | G | 96.2 | Very high | 94.6 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 87.7 | -167.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V16 | V16-G19 WeakPolarHBondContact CG1-O 3.34Š|
| 20 | K | 95.6 | Very high | 95.2 | Very high | 156 Ų | 156 | 58.2 Ų | 58.2 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | trans | -133 | 110.3 | -179.1 | -63.1 | -177.3 | -177.4 | -179.8 | 0 | 109.7 | E22 A23 | K20-E22 VanDerWaalsContact C-N 3.25Å; K20-E22 PolarHBondContact O-N 3.15Å; K20-A23 HydrophobicContact CB-CB 3.87Å; K20-A23 WeakPolarHBondContact O-CB 3.41Å; K20-A23 PolarHBondContact O-N 3.01Å; K20-A23 VanDerWaalsContact O-N 3.17Å | ||
| 21 | F | 96.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.035 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -60.1 | -39.2 | -178.6 | 178 | -103.6 | 0 | 0 | 0 | 111.6 | P9 L11 V16 A23 M24 Q29 V32 I46 | P9-F21 HydrophobicContact CB-CE1 4.16Å; P9-F21 HydrophobicContact CB-CZ 4.09Å; L11-F21 HydrophobicContact CD1-CB 3.97Å; L11-F21 HydrophobicContact CD1-CD1 4.3Å; L11-F21 HydrophobicContact CD1-CD2 3.72Å; L11-F21 HydrophobicContact CD1-CE2 4.26Å; L11-F21 HydrophobicContact CD1-CG 3.75Å; L11-F21 HydrophobicContact CD2-CD2 3.75Å; L11-F21 HydrophobicContact CD2-CE2 3.47Å; L11-F21 VanDerWaalsContact CD2-CE2 3.47Å; L11-F21 HydrophobicContact CD2-CG 4.45Å; L11-F21 HydrophobicContact CD2-CZ 3.92Å; L11-F21 HydrophobicContact CG-CD1 4.16Å; L11-F21 HydrophobicContact CG-CD2 3.79Å; L11-F21 HydrophobicContact CG-CE1 4.16Å; L11-F21 HydrophobicContact CG-CE2 3.81Å; L11-F21 HydrophobicContact CG-CG 3.98Å; L11-F21 HydrophobicContact CG-CZ 3.99Å; V16-F21 HydrophobicContact CG2-CB 4Å; F21-A23 PolarHBondContact O-N 3.41Å; F21-M24 HydrophobicContact CB-CE 4.39Å; F21-M24 HydrophobicContact CD2-CE 3.2Å; F21-M24 HydrophobicContact CE2-CE 3.68Å; F21-M24 HydrophobicContact CG-CE 4.02Å; F21-M24 PolarHBondContact O-N 2.71Å; F21-Q29 HydrophobicContact CD1-CG 4.37Å; F21-Q29 HydrophobicContact CE1-CB 3.92Å; F21-Q29 HydrophobicContact CE1-CG 4.05Å; F21-Q29 HydrophobicContact CE2-CB 4.01Å; F21-Q29 HydrophobicContact CE2-CG 4.26Å; F21-Q29 HydrophobicContact CZ-CB 3.53Å; F21-Q29 HydrophobicContact CZ-CG 4Å; F21-Q29 WeakPolarHBondContact CZ-O 3.22Å; F21-Q29 WeakPolarHBondContact O-CG 3.18Å; F21-Q29 PolarHBondContact O-NE2 3Å; F21-V32 HydrophobicContact CE2-CB 4.16Å; F21-V32 HydrophobicContact CE2-CG1 4.14Å; F21-I46 HydrophobicContact CB-CD1 4.29Å |
| 22 | E | 94.7 | Very high | 95.7 | Very high | 140 Ų | 140 | 53.7 Ų | 53.7 | 65% | 0.654 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -68.8 | -18.9 | -178.1 | -58.5 | 71 | -153.3 | 0 | 0 | 112.9 | K20 Q29 | K20-E22 VanDerWaalsContact C-N 3.25Å; K20-E22 PolarHBondContact O-N 3.15Å; E22-Q29 PolarHBondContact O-NE2 2.92Å; E22-Q29 VanDerWaalsContact O-NE2 3.15Å |
| 23 | A | 93.8 | Very high | 95.9 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 63% | 0.628 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -82.1 | -14 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K20 F21 | K20-A23 HydrophobicContact CB-CB 3.87Å; K20-A23 WeakPolarHBondContact O-CB 3.41Å; K20-A23 PolarHBondContact O-N 3.01Å; K20-A23 VanDerWaalsContact O-N 3.17Å; F21-A23 PolarHBondContact O-N 3.41Å |
| 24 | M | 96.3 | Very high | 96 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.034 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -76.4 | 155.7 | 175.7 | -61 | -171.4 | -72.4 | 0 | 0 | 111.3 | F21 A28 Q29 V32 I46 V143 W183 | F21-M24 HydrophobicContact CB-CE 4.39Å; F21-M24 HydrophobicContact CD2-CE 3.2Å; F21-M24 HydrophobicContact CE2-CE 3.68Å; F21-M24 HydrophobicContact CG-CE 4.02Å; F21-M24 PolarHBondContact O-N 2.71Å; M24-A28 HydrophobicContact CB-CB 4.19Å; M24-Q29 HydrophobicContact CB-CG 4.04Å; M24-Q29 HydrophobicContact CE-CG 4.41Å; M24-Q29 PolarHBondContact O-NE2 3.44Å; M24-V32 HydrophobicContact CE-CB 4.49Å; M24-V32 HydrophobicContact CE-CG2 4.29Å; M24-I46 HydrophobicContact CE-CD1 3.91Å; M24-I46 HydrophobicContact SD-CD1 4.17Å; M24-I46 HydrophobicContact SD-CG1 4.5Å; M24-I46 HydrophobicContact SD-CG2 4.32Å; M24-V143 HydrophobicContact SD-CG1 4.34Å; M24-W183 HydrophobicContact CB-CE3 4.36Å; M24-W183 HydrophobicContact CB-CZ3 4.32Å; M24-W183 HydrophobicContact CG-CD2 4.29Å; M24-W183 HydrophobicContact CG-CE3 4.31Å; M24-W183 HydrophobicContact CG-CH2 3.88Å; M24-W183 HydrophobicContact CG-CZ2 3.83Å; M24-W183 HydrophobicContact CG-CZ3 4.12Å; M24-W183 HydrophobicContact SD-CH2 3.31Å; M24-W183 WeakPolarHBondContact SD-CH2 3.34Å; M24-W183 HydrophobicContact SD-CZ2 3.61Å; M24-W183 HydrophobicContact SD-CZ3 3.91Å |
| 25 | P | 95.4 | Very high | 96 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | trans | -50.7 | 145.5 | 167.1 | -32.1 | 40.2 | 0 | 0 | 0 | 112.9 | S27 A28 Q29 W183 I186 E187 | P25-S27 VanDerWaalsContact C-N 3.26Å; P25-S27 PolarHBondContact O-N 2.65Å; P25-A28 HydrophobicContact CB-CB 4.2Å; P25-A28 WeakPolarHBondContact O-CA 3.44Å; P25-A28 WeakPolarHBondContact O-CB 3.22Å; P25-A28 PolarHBondContact O-N 3.16Å; P25-Q29 WeakPolarHBondContact O-CG 3.29Å; P25-Q29 PolarHBondContact O-N 3.32Å; P25-W183 HydrophobicContact CG-CB 4.45Å; P25-W183 HydrophobicContact CG-CE3 4.31Å; P25-W183 WeakPolarHBondContact CG-O 3.47Å; P25-I186 HydrophobicContact CB-CG2 3.97Å; P25-I186 HydrophobicContact CG-CB 4.12Å; P25-I186 HydrophobicContact CG-CG2 3.86Å; P25-E187 WeakPolarHBondContact CA-OE2 3Å; P25-E187 WeakPolarHBondContact CB-OE2 3.23Å; P25-E187 HydrophobicContact CG-CB 4.08Å; P25-E187 WeakPolarHBondContact CG-OE2 3.37Å | ||
| 26 | K | 94.3 | Very high | 96 | Very high | 117 Ų | 117 | 43.3 Ų | 43.3 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.5 | -35.2 | -178.2 | -72.7 | -70.6 | 171.7 | -166.6 | 0 | 113.4 | P9 Q29 R30 | P9-K26 HydrophobicContact CG-CD 3.96Å; K26-Q29 PolarHBondContact O-N 3.31Å; K26-R30 WeakPolarHBondContact O-CG 3.49Å; K26-R30 PolarHBondContact O-N 3.34Å |
| 27 | S | 93.3 | Very high | 95.9 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -38.2 | 174.8 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | P25 F31 | P25-S27 VanDerWaalsContact C-N 3.26Å; P25-S27 PolarHBondContact O-N 2.65Å; S27-F31 PolarHBondContact O-N 3.09Å; S27-F31 VanDerWaalsContact O-N 3.13Å |
| 28 | A | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.7 | -43.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M24 P25 R30 F31 V32 I160 W183 | M24-A28 HydrophobicContact CB-CB 4.19Å; P25-A28 HydrophobicContact CB-CB 4.2Å; P25-A28 WeakPolarHBondContact O-CA 3.44Å; P25-A28 WeakPolarHBondContact O-CB 3.22Å; P25-A28 PolarHBondContact O-N 3.16Å; A28-R30 VanDerWaalsContact C-N 3.33Å; A28-R30 PolarHBondContact O-N 2.79Å; A28-F31 PolarHBondContact O-N 3.36Å; A28-V32 WeakPolarHBondContact O-CG2 3.32Å; A28-V32 PolarHBondContact O-N 2.83Å; A28-I160 HydrophobicContact CB-CD1 3.4Å; A28-W183 HydrophobicContact CB-CE3 4.33Å; A28-W183 HydrophobicContact CB-CZ3 3.7Å |
| 29 | Q | 96.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.3 | -45.2 | 175.5 | -66.4 | 178.8 | 20 | 0 | 0 | 111.2 | P9 F21 E22 M24 P25 K26 V32 G33 | P9-Q29 HydrophobicContact CB-CB 3.37Å; P9-Q29 HydrophobicContact CG-CB 3.74Å; F21-Q29 HydrophobicContact CD1-CG 4.37Å; F21-Q29 HydrophobicContact CE1-CB 3.92Å; F21-Q29 HydrophobicContact CE1-CG 4.05Å; F21-Q29 HydrophobicContact CE2-CB 4.01Å; F21-Q29 HydrophobicContact CE2-CG 4.26Å; F21-Q29 HydrophobicContact CZ-CB 3.53Å; F21-Q29 HydrophobicContact CZ-CG 4Å; F21-Q29 WeakPolarHBondContact CZ-O 3.22Å; F21-Q29 WeakPolarHBondContact O-CG 3.18Å; F21-Q29 PolarHBondContact O-NE2 3Å; E22-Q29 PolarHBondContact O-NE2 2.92Å; E22-Q29 VanDerWaalsContact O-NE2 3.15Å; M24-Q29 HydrophobicContact CB-CG 4.04Å; M24-Q29 HydrophobicContact CE-CG 4.41Å; M24-Q29 PolarHBondContact O-NE2 3.44Å; P25-Q29 WeakPolarHBondContact O-CG 3.29Å; P25-Q29 PolarHBondContact O-N 3.32Å; K26-Q29 PolarHBondContact O-N 3.31Å; Q29-V32 PolarHBondContact O-N 3.48Å; Q29-G33 PolarHBondContact O-N 3.43Å |
| 30 | R | 95.4 | Very high | 96 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 24% | 0.242 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | 176.5 | -73.8 | -170 | -80.3 | -102.2 | 4.2 | 112.1 | E4 S5 P9 K26 A28 K34 | E4-R30 IonicContact OE1-CZ 3.4Å; E4-R30 IonicContact OE1-NE 2.71Å; E4-R30 PolarHBondContact OE1-NE 3.28Å; E4-R30 IonicContact OE1-NH2 3.95Å; E4-R30 PolarHBondContact OE1-NH2 2.75Å; S5-R30 WeakPolarHBondContact O-CD 3.49Å; P9-R30 HydrophobicContact CB-CG 4.21Å; P9-R30 HydrophobicContact CG-CG 3.81Å; K26-R30 WeakPolarHBondContact O-CG 3.49Å; K26-R30 PolarHBondContact O-N 3.34Å; A28-R30 VanDerWaalsContact C-N 3.33Å; A28-R30 PolarHBondContact O-N 2.79Å; R30-K34 WeakPolarHBondContact O-CB 3.47Å; R30-K34 PolarHBondContact O-N 2.98Å |
| 31 | F | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.6 | -52.3 | 177.3 | 172.7 | -113.7 | 0 | 0 | 0 | 112.1 | W2 S27 A28 W35 I160 I162 F192 R194 V196 | W2-F31 HydrophobicContact CE3-CD2 4.14Å; W2-F31 HydrophobicContact CH2-CB 3.94Å; W2-F31 HydrophobicContact CH2-CD2 4.19Å; W2-F31 HydrophobicContact CZ2-CB 4.48Å; W2-F31 HydrophobicContact CZ3-CB 4.31Å; W2-F31 AromaticContact CZ3-CD2 3.75Å; W2-F31 HydrophobicContact CZ3-CD2 3.75Å; S27-F31 PolarHBondContact O-N 3.09Å; S27-F31 VanDerWaalsContact O-N 3.13Å; A28-F31 PolarHBondContact O-N 3.36Å; F31-W35 AromaticContact CD2-CD1 3.67Å; F31-W35 AromaticContact CD2-NE1 3.81Å; F31-W35 AromaticContact CE2-CD1 3.36Å; F31-W35 AromaticContact CE2-NE1 3.33Å; F31-W35 VanDerWaalsContact CE2-NE1 3.33Å; F31-W35 VanDerWaalsContact O-CD1 3.28Å; F31-W35 PolarHBondContact O-N 3.35Å; F31-I160 HydrophobicContact CD1-CB 4.19Å; F31-I160 HydrophobicContact CD1-CD1 4.39Å; F31-I160 HydrophobicContact CD1-CG2 4.07Å; F31-I160 HydrophobicContact CE1-CB 4Å; F31-I160 HydrophobicContact CE1-CG2 3.88Å; F31-I162 HydrophobicContact CE1-CG2 4.06Å; F31-I162 HydrophobicContact CZ-CD1 4.35Å; F31-I162 HydrophobicContact CZ-CG1 4.38Å; F31-F192 HydrophobicContact CB-CE2 4.33Å; F31-F192 HydrophobicContact CB-CZ 4.02Å; F31-F192 HydrophobicContact CD1-CE2 4Å; F31-F192 HydrophobicContact CD1-CZ 4.49Å; F31-F192 HydrophobicContact CG-CE2 4.15Å; F31-F192 HydrophobicContact CG-CZ 4.34Å; F31-R194 HydrophobicContact CD2-CB 4.04Å; F31-R194 HydrophobicContact CD2-CG 3.76Å; F31-R194 HydrophobicContact CE2-CB 3.53Å; F31-R194 HydrophobicContact CE2-CG 3.81Å; F31-R194 HydrophobicContact CG-CG 4.23Å; F31-R194 HydrophobicContact CZ-CB 3.83Å; F31-R194 HydrophobicContact CZ-CG 4.31Å; F31-V196 HydrophobicContact CE2-CG2 3.84Å; F31-V196 HydrophobicContact CZ-CG2 3.75Å |
| 32 | V | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 179.1 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | L11 F21 M24 A28 Q29 K34 W35 V36 V44 V143 I162 | L11-V32 HydrophobicContact CD2-CG1 4.19Å; F21-V32 HydrophobicContact CE2-CB 4.16Å; F21-V32 HydrophobicContact CE2-CG1 4.14Å; M24-V32 HydrophobicContact CE-CB 4.49Å; M24-V32 HydrophobicContact CE-CG2 4.29Å; A28-V32 WeakPolarHBondContact O-CG2 3.32Å; A28-V32 PolarHBondContact O-N 2.83Å; Q29-V32 PolarHBondContact O-N 3.48Å; V32-K34 PolarHBondContact O-N 3.07Å; V32-W35 PolarHBondContact O-N 3.21Å; V32-V36 HydrophobicContact CG1-CG2 4.09Å; V32-V36 VanDerWaalsContact O-CG2 3.29Å; V32-V36 WeakPolarHBondContact O-CG2 3.23Å; V32-V36 PolarHBondContact O-N 2.85Å; V32-V44 HydrophobicContact CG1-CG1 4.38Å; V32-V143 HydrophobicContact CG1-CG2 3.83Å; V32-V143 HydrophobicContact CG2-CG1 3.78Å; V32-V143 HydrophobicContact CG2-CG2 3.92Å; V32-I162 HydrophobicContact CG2-CG2 4.36Å |
| 33 | G | 96.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 35 Ų | 35 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.3 | -46.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S10 Q29 W35 V36 E37 | S10-G33 VanDerWaalsContact O-CA 3.29Å; S10-G33 WeakPolarHBondContact O-CA 3.34Å; Q29-G33 PolarHBondContact O-N 3.43Å; G33-W35 VanDerWaalsContact C-N 3.32Å; G33-W35 PolarHBondContact O-N 3.04Å; G33-V36 PolarHBondContact O-N 3.5Å; G33-E37 PolarHBondContact O-N 3.2Å |
| 34 | K | 95.4 | Very high | 96.6 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 22% | 0.217 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.6 | -45.3 | 176.8 | -175.9 | -175.8 | -170.5 | 167.7 | 0 | 112.2 | W2 N3 R30 V32 E37 I38 | W2-K34 HydrophobicContact CE3-CD 3.65Å; W2-K34 HydrophobicContact CH2-CD 4.13Å; W2-K34 HydrophobicContact CZ3-CB 4.05Å; W2-K34 HydrophobicContact CZ3-CD 3.27Å; W2-K34 HydrophobicContact CZ3-CG 4.27Å; N3-K34 PolarHBondContact O-NZ 3.27Å; R30-K34 WeakPolarHBondContact O-CB 3.47Å; R30-K34 PolarHBondContact O-N 2.98Å; V32-K34 PolarHBondContact O-N 3.07Å; K34-E37 WeakPolarHBondContact O-CB 3.37Å; K34-E37 PolarHBondContact O-N 3.35Å; K34-I38 HydrophobicContact CG-CD1 4.07Å; K34-I38 WeakPolarHBondContact O-CG1 3.21Å; K34-I38 PolarHBondContact O-N 3.4Å; K34-I38 VanDerWaalsContact O-N 3.09Å |
| 35 | W | 96.7 | Very high | 96.7 | Very high | 11 Ų | 11 | 31.3 Ų | 31.3 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -79.5 | -25.1 | -177.4 | -73.8 | 109.7 | 0 | 0 | 0 | 113.4 | F31 V32 G33 E37 I38 C39 I128 Y132 I162 V196 M232 | F31-W35 AromaticContact CD2-CD1 3.67Å; F31-W35 AromaticContact CD2-NE1 3.81Å; F31-W35 AromaticContact CE2-CD1 3.36Å; F31-W35 AromaticContact CE2-NE1 3.33Å; F31-W35 VanDerWaalsContact CE2-NE1 3.33Å; F31-W35 VanDerWaalsContact O-CD1 3.28Å; F31-W35 PolarHBondContact O-N 3.35Å; V32-W35 PolarHBondContact O-N 3.21Å; G33-W35 VanDerWaalsContact C-N 3.32Å; G33-W35 PolarHBondContact O-N 3.04Å; W35-E37 VanDerWaalsContact C-N 3.32Å; W35-I38 HydrophobicContact CD2-CD1 4.41Å; W35-I38 HydrophobicContact CE3-CB 4.12Å; W35-I38 HydrophobicContact CE3-CD1 3.99Å; W35-I38 HydrophobicContact CE3-CG2 4.13Å; W35-I38 HydrophobicContact CH2-CD1 4.42Å; W35-I38 HydrophobicContact CZ3-CB 4.44Å; W35-I38 HydrophobicContact CZ3-CD1 4Å; W35-I38 HydrophobicContact CZ3-CG2 4.01Å; W35-I38 PolarHBondContact O-N 3.13Å; W35-C39 WeakPolarHBondContact O-CB 3.43Å; W35-C39 PolarHBondContact O-N 3.39Å; W35-C39 PolarHBondContact O-SG 3.41Å; W35-C39 VanDerWaalsContact O-SG 3.35Å; W35-I128 HydrophobicContact CH2-CG2 4.32Å; W35-Y132 HydrophobicContact CE3-CD1 4.45Å; W35-Y132 AromaticContact CZ3-CD1 3.89Å; W35-Y132 HydrophobicContact CZ3-CD1 3.89Å; W35-Y132 AromaticContact CZ3-CG 3.91Å; W35-Y132 HydrophobicContact CZ3-CG 3.91Å; W35-I162 HydrophobicContact CB-CD1 3.13Å; W35-I162 HydrophobicContact CD2-CD1 4.2Å; W35-I162 HydrophobicContact CG-CD1 3.38Å; W35-V196 HydrophobicContact CD2-CG1 3.95Å; W35-V196 HydrophobicContact CD2-CG2 3.96Å; W35-V196 VanDerWaalsContact CE2-CG2 3.5Å; W35-V196 HydrophobicContact CE3-CG1 3.92Å; W35-V196 HydrophobicContact CG-CG2 4.21Å; W35-V196 HydrophobicContact CH2-CG1 4.44Å; W35-V196 HydrophobicContact CZ2-CG1 4.43Å; W35-V196 HydrophobicContact CZ2-CG2 3.89Å; W35-V196 HydrophobicContact CZ3-CG1 4.17Å; W35-M232 HydrophobicContact CH2-CE 3.12Å; W35-M232 HydrophobicContact CH2-SD 3.79Å; W35-M232 HydrophobicContact CZ2-CE 3.55Å; W35-M232 HydrophobicContact CZ2-SD 3.56Å; W35-M232 VanDerWaalsContact CZ2-SD 3.56Å; W35-M232 HydrophobicContact CZ3-CE 3.77Å |
| 36 | V | 97.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 166.5 | 167.8 | 0 | 0 | 0 | 0 | 110.2 | L11 V14 V32 G33 I38 K40 P41 V44 L141 | L11-V36 HydrophobicContact CD2-CB 4.23Å; L11-V36 HydrophobicContact CD2-CG1 4.3Å; L11-V36 HydrophobicContact CD2-CG2 3.91Å; V14-V36 HydrophobicContact CB-CG1 3.81Å; V14-V36 HydrophobicContact CG1-CG1 4.09Å; V14-V36 HydrophobicContact CG2-CG1 3.71Å; V32-V36 HydrophobicContact CG1-CG2 4.09Å; V32-V36 VanDerWaalsContact O-CG2 3.29Å; V32-V36 WeakPolarHBondContact O-CG2 3.23Å; V32-V36 PolarHBondContact O-N 2.85Å; G33-V36 PolarHBondContact O-N 3.5Å; V36-I38 PolarHBondContact O-N 3.27Å; V36-K40 PolarHBondContact O-N 2.91Å; V36-K40 VanDerWaalsContact O-N 3.07Å; V36-P41 HydrophobicContact CB-CG 4.44Å; V36-P41 HydrophobicContact CG1-CG 4.17Å; V36-P41 HydrophobicContact CG2-CG 4.18Å; V36-P41 WeakPolarHBondContact O-CD 3.45Å; V36-V44 HydrophobicContact CG1-CG2 4.5Å; V36-V44 HydrophobicContact CG2-CG2 3.57Å; V36-L141 HydrophobicContact CG2-CD1 3.91Å |
| 37 | E | 96.2 | Very high | 97.1 | Very high | 127 Ų | 127 | 26 Ų | 26 | 59% | 0.593 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -62.2 | -42.1 | 175.8 | -170.7 | -170.1 | 166.8 | 0 | 0 | 112.4 | G33 K34 W35 K40 | G33-E37 PolarHBondContact O-N 3.2Å; K34-E37 WeakPolarHBondContact O-CB 3.37Å; K34-E37 PolarHBondContact O-N 3.35Å; W35-E37 VanDerWaalsContact C-N 3.32Å; E37-K40 WeakPolarHBondContact O-CD 3.43Å; E37-K40 WeakPolarHBondContact O-CE 3.31Å; E37-K40 PolarHBondContact O-NZ 3Å |
| 38 | I | 96.5 | Very high | 97.3 | Very high | 49 Ų | 49 | 27.4 Ų | 27.4 | 25% | 0.251 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -74 | -51.4 | -179.1 | -66.1 | 166.9 | 0 | 0 | 0 | 111.3 | K34 W35 V36 P133 G134 | K34-I38 HydrophobicContact CG-CD1 4.07Å; K34-I38 WeakPolarHBondContact O-CG1 3.21Å; K34-I38 PolarHBondContact O-N 3.4Å; K34-I38 VanDerWaalsContact O-N 3.09Å; W35-I38 HydrophobicContact CD2-CD1 4.41Å; W35-I38 HydrophobicContact CE3-CB 4.12Å; W35-I38 HydrophobicContact CE3-CD1 3.99Å; W35-I38 HydrophobicContact CE3-CG2 4.13Å; W35-I38 HydrophobicContact CH2-CD1 4.42Å; W35-I38 HydrophobicContact CZ3-CB 4.44Å; W35-I38 HydrophobicContact CZ3-CD1 4Å; W35-I38 HydrophobicContact CZ3-CG2 4.01Å; W35-I38 PolarHBondContact O-N 3.13Å; V36-I38 PolarHBondContact O-N 3.27Å; I38-P133 WeakPolarHBondContact O-CA 3.08Å; I38-G134 PolarHBondContact O-N 2.88Å |
| 39 | C | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -81.5 | -16.1 | -169.6 | -61.6 | 0 | 0 | 0 | 0 | 114.1 | W35 G134 C135 M136 | W35-C39 WeakPolarHBondContact O-CB 3.43Å; W35-C39 PolarHBondContact O-N 3.39Å; W35-C39 PolarHBondContact O-SG 3.41Å; W35-C39 VanDerWaalsContact O-SG 3.35Å; C39-G134 CarbonylContact O-C 3.15Å; C39-G134 VanDerWaalsContact O-C 3.29Å; C39-G134 WeakPolarHBondContact O-CA 3.4Å; C39-C135 PolarHBondContact O-N 3.36Å; C39-M136 HydrophobicContact CB-CB 3.99Å; C39-M136 HydrophobicContact CB-CG 3.76Å; C39-M136 HydrophobicContact CB-SD 3.82Å; C39-M136 CarbonylContact O-C 3.2Å; C39-M136 WeakPolarHBondContact O-CA 3.37Å; C39-M136 WeakPolarHBondContact O-CB 3.33Å; C39-M136 PolarHBondContact O-N 3.2Å |
| 40 | K | 97.9 | Very high | 97.4 | Very high | 106 Ų | 106 | 29.9 Ų | 29.9 | 46% | 0.461 | 16% | 0.155 | S | C | . | . | trans | 52.7 | 49.5 | 179.7 | -53.2 | -61 | -172.3 | -160.7 | 0 | 115.1 | V36 E37 E137 | V36-K40 PolarHBondContact O-N 2.91Å; V36-K40 VanDerWaalsContact O-N 3.07Å; E37-K40 WeakPolarHBondContact O-CD 3.43Å; E37-K40 WeakPolarHBondContact O-CE 3.31Å; E37-K40 PolarHBondContact O-NZ 3Å; K40-E137 HydrophobicContact CB-CG 3.86Å; K40-E137 WeakPolarHBondContact O-CA 3.34Å | ||
| 41 | P | 98.4 | Very high | 97.4 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.032 | 17% | 0.173 | C | C | . | . | trans | -65.7 | 155.7 | 176.2 | 32.6 | -36 | 0 | 0 | 0 | 111.8 | V14 V36 G43 M136 R139 L141 | V14-P41 HydrophobicContact CG1-CG 4.32Å; V14-P41 WeakPolarHBondContact CG1-O 3.49Å; V36-P41 HydrophobicContact CB-CG 4.44Å; V36-P41 HydrophobicContact CG1-CG 4.17Å; V36-P41 HydrophobicContact CG2-CG 4.18Å; V36-P41 WeakPolarHBondContact O-CD 3.45Å; P41-G43 PolarHBondContact O-N 2.91Å; P41-M136 WeakPolarHBondContact CA-O 3.39Å; P41-M136 HydrophobicContact CB-CB 4.07Å; P41-R139 CarbonylContact C-O 3.28Å; P41-R139 WeakPolarHBondContact CA-O 3.47Å; P41-R139 WeakPolarHBondContact CB-O 3.25Å; P41-L141 HydrophobicContact CB-CB 3.61Å; P41-L141 HydrophobicContact CG-CB 3.68Å; P41-L141 HydrophobicContact CG-CD1 4.06Å | ||
| 42 | T | 98 | Very high | 97.4 | Very high | 82 Ų | 82 | 39.5 Ų | 39.5 | 50% | 0.503 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -74.9 | -13.9 | 176 | -161.1 | 0 | 0 | 0 | 0 | 113.4 | R139 V140 | T42-R139 PolarHBondContact N-O 3.47Å; T42-V140 HydrophobicContact CG2-CG2 4.31Å |
| 43 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 163.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P15 P41 V140 L141 | P15-G43 CarbonylContact O-C 3.56Å; P15-G43 VanDerWaalsContact O-CA 3.28Å; P15-G43 WeakPolarHBondContact O-CA 3.43Å; P41-G43 PolarHBondContact O-N 2.91Å; G43-V140 WeakPolarHBondContact O-CA 3.49Å; G43-L141 PolarHBondContact O-N 2.86Å |
| 44 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.4 | -178.7 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | L11 V14 P15 V16 I17 V32 V36 I46 L141 V143 | L11-V44 HydrophobicContact CD1-CG2 4.32Å; L11-V44 HydrophobicContact CD2-CG2 4.23Å; V14-V44 HydrophobicContact CG1-CG2 4Å; P15-V44 PolarHBondContact O-N 3.38Å; V16-V44 CarbonylContact C-O 3.54Å; V16-V44 WeakPolarHBondContact CA-O 3.35Å; I17-V44 PolarHBondContact N-O 2.89Å; V32-V44 HydrophobicContact CG1-CG1 4.38Å; V36-V44 HydrophobicContact CG1-CG2 4.5Å; V36-V44 HydrophobicContact CG2-CG2 3.57Å; V44-I46 HydrophobicContact CG1-CG1 4.19Å; V44-L141 CarbonylContact C-O 3.57Å; V44-L141 WeakPolarHBondContact CA-O 3.46Å; V44-L141 HydrophobicContact CG1-CD2 4.41Å; V44-V143 HydrophobicContact CG1-CG2 3.84Å |
| 45 | Y | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 109.7 | 177.5 | -169.8 | -69.4 | 0 | 0 | 0 | 108.8 | I17 K18 C47 E53 E56 L141 Y142 V143 | I17-Y45 HydrophobicContact CG2-CD2 4.24Å; K18-Y45 HydrophobicContact CB-CD1 4.21Å; K18-Y45 HydrophobicContact CB-CD2 3.68Å; K18-Y45 HydrophobicContact CB-CE1 4.22Å; K18-Y45 HydrophobicContact CB-CE2 3.69Å; K18-Y45 HydrophobicContact CB-CG 3.96Å; K18-Y45 HydrophobicContact CD-CD1 4.29Å; K18-Y45 HydrophobicContact CD-CD2 4.41Å; K18-Y45 HydrophobicContact CD-CE1 3.51Å; K18-Y45 HydrophobicContact CD-CE2 3.66Å; K18-Y45 WeakPolarHBondContact CD-OH 3.46Å; K18-Y45 HydrophobicContact CG-CE1 4.42Å; K18-Y45 HydrophobicContact CG-CE2 4.31Å; K18-Y45 PolarHBondContact NZ-OH 3.48Å; Y45-C47 PolarHBondContact O-N 3.06Å; Y45-E53 HydrophobicContact CE1-CG 4.17Å; Y45-E53 VanDerWaalsContact CE1-OE2 3.3Å; Y45-E53 WeakPolarHBondContact CE1-OE2 3.33Å; Y45-E56 PolarHBondContact OH-OE2 3.24Å; Y45-L141 PolarHBondContact N-O 3.37Å; Y45-Y142 AromaticContact CD1-CD1 3.66Å; Y45-Y142 HydrophobicContact CD1-CD1 3.66Å; Y45-Y142 AromaticContact CD1-CE1 3.88Å; Y45-Y142 HydrophobicContact CD1-CE1 3.88Å; Y45-Y142 AromaticContact CD2-CE1 4Å; Y45-Y142 HydrophobicContact CD2-CE1 4Å; Y45-Y142 HydrophobicContact CE1-CD1 4.41Å; Y45-Y142 HydrophobicContact CE1-CE1 4.41Å; Y45-Y142 AromaticContact CG-CD1 3.71Å; Y45-Y142 HydrophobicContact CG-CD1 3.71Å; Y45-Y142 AromaticContact CG-CE1 3.64Å; Y45-Y142 HydrophobicContact CG-CE1 3.64Å; Y45-Y142 CarbonylContact O-C 3.59Å; Y45-Y142 VanDerWaalsContact O-CA 3.31Å; Y45-Y142 WeakPolarHBondContact O-CA 3.49Å; Y45-V143 PolarHBondContact O-N 2.85Å |
| 46 | I | 98.5 | Very high | 97.6 | Very high | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 111.4 | -180 | -56.4 | 166.7 | 0 | 0 | 0 | 108.3 | V16 K18 F21 M24 V44 V143 W183 | V16-I46 HydrophobicContact CG1-CD1 4.39Å; K18-I46 PolarHBondContact O-N 3.22Å; F21-I46 HydrophobicContact CB-CD1 4.29Å; M24-I46 HydrophobicContact CE-CD1 3.91Å; M24-I46 HydrophobicContact SD-CD1 4.17Å; M24-I46 HydrophobicContact SD-CG1 4.5Å; M24-I46 HydrophobicContact SD-CG2 4.32Å; V44-I46 HydrophobicContact CG1-CG1 4.19Å; I46-V143 HydrophobicContact CG1-CB 4.38Å; I46-V143 HydrophobicContact CG1-CG2 4.41Å; I46-W183 HydrophobicContact CG2-CZ2 3.99Å |
| 47 | C | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | trans | -73.4 | 141.5 | -173.5 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | Y45 E53 V143 P145 M178 | Y45-C47 PolarHBondContact O-N 3.06Å; C47-E53 WeakPolarHBondContact CA-OE2 3.46Å; C47-E53 WeakPolarHBondContact CB-OE1 3.4Å; C47-V143 WeakPolarHBondContact CB-O 3.38Å; C47-V143 PolarHBondContact N-O 2.99Å; C47-P145 WeakPolarHBondContact O-CD 3.38Å; C47-M178 HydrophobicContact CB-CE 3.55Å; C47-M178 HydrophobicContact CB-SD 3.77Å | ||
| 48 | D | 97.4 | Very high | 97.7 | Very high | 50 Ų | 50 | 42 Ų | 42 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | trans | -113.9 | -14.1 | 179 | 62.1 | 31.5 | 0 | 0 | 0 | 113.7 | K18 S50 E53 P180 | K18-D48 VanDerWaalsContact CE-OD2 3.26Å; K18-D48 WeakPolarHBondContact CE-OD2 3.49Å; K18-D48 IonicContact NZ-OD1 3.64Å; K18-D48 IonicContact NZ-OD2 3.26Å; K18-D48 PolarHBondContact NZ-OD2 3.06Å; D48-S50 PolarHBondContact O-N 3.17Å; D48-S50 WeakPolarHBondContact OD1-CB 3.4Å; D48-S50 PolarHBondContact OD1-N 2.93Å; D48-S50 PolarHBondContact OD1-OG 3.47Å; D48-E53 PolarHBondContact N-OE1 2.92Å; D48-E53 VanDerWaalsContact N-OE1 3.08Å; D48-E53 PolarHBondContact N-OE2 3.21Å; D48-E53 WeakPolarHBondContact OD1-CB 3.49Å; D48-P180 HydrophobicContact CB-CG 4.27Å; D48-P180 WeakPolarHBondContact O-CD 3.17Å | ||
| 49 | G | 97.1 | Very high | 97.7 | Very high | 24 Ų | 24 | 44.2 Ų | 44.2 | 25% | 0.247 | 22% | 0.219 | C | C | . | . | trans | 72.6 | 12.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | E53 | G49-E53 PolarHBondContact N-OE1 2.95Š| ||
| 50 | S | 97.2 | Very high | 97.7 | Very high | 31 Ų | 31 | 48 Ų | 48 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | trans | -64 | 158 | 175 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | D48 E52 E53 R54 | D48-S50 PolarHBondContact O-N 3.17Å; D48-S50 WeakPolarHBondContact OD1-CB 3.4Å; D48-S50 PolarHBondContact OD1-N 2.93Å; D48-S50 PolarHBondContact OD1-OG 3.47Å; S50-E52 WeakPolarHBondContact CB-OE2 3.49Å; S50-E52 PolarHBondContact O-N 2.92Å; S50-E53 PolarHBondContact O-N 3.26Å; S50-E53 VanDerWaalsContact OG-CB 3.23Å; S50-E53 WeakPolarHBondContact OG-CB 3.4Å; S50-E53 PolarHBondContact OG-N 3.19Å; S50-R54 PolarHBondContact O-N 3.29Å | ||
| 51 | K | 95.8 | Very high | 97.7 | Very high | 144 Ų | 144 | 43.5 Ų | 43.5 | 63% | 0.626 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.4 | -36.7 | 174.4 | -177.5 | 179.8 | 175.4 | -176.7 | 0 | 110.7 | R54 Q55 | K51-R54 PolarHBondContact O-N 2.96Å; K51-Q55 VanDerWaalsContact O-CG 3.32Å; K51-Q55 WeakPolarHBondContact O-CG 3.28Å; K51-Q55 PolarHBondContact O-N 3.05Å |
| 52 | E | 96.8 | Very high | 97.7 | Very high | 123 Ų | 123 | 45.5 Ų | 45.5 | 58% | 0.575 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -64.9 | -46.4 | 179.2 | -64.6 | 66.8 | -145.9 | 0 | 0 | 110.6 | S50 R54 Q55 E56 | S50-E52 WeakPolarHBondContact CB-OE2 3.49Å; S50-E52 PolarHBondContact O-N 2.92Å; E52-R54 VanDerWaalsContact C-N 3.35Å; E52-R54 PolarHBondContact O-N 3.49Å; E52-Q55 PolarHBondContact O-N 3.06Å; E52-E56 WeakPolarHBondContact O-CB 3.45Å; E52-E56 PolarHBondContact O-N 3.49Å |
| 53 | E | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 172.8 | 179 | 168.5 | 97.7 | 0 | 0 | 111.8 | K18 Y45 C47 D48 G49 S50 Q55 E56 L57 M178 | K18-E53 IonicContact NZ-OE2 3.93Å; K18-E53 PolarHBondContact NZ-OE2 3.24Å; Y45-E53 HydrophobicContact CE1-CG 4.17Å; Y45-E53 VanDerWaalsContact CE1-OE2 3.3Å; Y45-E53 WeakPolarHBondContact CE1-OE2 3.33Å; C47-E53 WeakPolarHBondContact CA-OE2 3.46Å; C47-E53 WeakPolarHBondContact CB-OE1 3.4Å; D48-E53 PolarHBondContact N-OE1 2.92Å; D48-E53 VanDerWaalsContact N-OE1 3.08Å; D48-E53 PolarHBondContact N-OE2 3.21Å; D48-E53 WeakPolarHBondContact OD1-CB 3.49Å; G49-E53 PolarHBondContact N-OE1 2.95Å; S50-E53 PolarHBondContact O-N 3.26Å; S50-E53 VanDerWaalsContact OG-CB 3.23Å; S50-E53 WeakPolarHBondContact OG-CB 3.4Å; S50-E53 PolarHBondContact OG-N 3.19Å; E53-Q55 VanDerWaalsContact C-N 3.29Å; E53-Q55 PolarHBondContact O-N 3.23Å; E53-E56 PolarHBondContact O-N 2.66Å; E53-L57 HydrophobicContact CG-CD1 3.87Å; E53-L57 HydrophobicContact CG-CG 4.34Å; E53-L57 WeakPolarHBondContact O-CB 3.3Å; E53-L57 WeakPolarHBondContact O-CG 3.47Å; E53-L57 PolarHBondContact O-N 3.48Å; E53-M178 WeakPolarHBondContact OE1-CE 3.39Å |
| 54 | R | 96.9 | Very high | 97.5 | Very high | 41 Ų | 41 | 52.8 Ų | 52.8 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 177.5 | -176.1 | 179.7 | 175.5 | 172.9 | 0.5 | 111 | S50 K51 E52 T58 L170 I173 N357 | S50-R54 PolarHBondContact O-N 3.29Å; K51-R54 PolarHBondContact O-N 2.96Å; E52-R54 VanDerWaalsContact C-N 3.35Å; E52-R54 PolarHBondContact O-N 3.49Å; R54-T58 WeakPolarHBondContact O-CB 3.3Å; R54-T58 PolarHBondContact O-N 3.13Å; R54-T58 PolarHBondContact O-OG1 3.15Å; R54-L170 HydrophobicContact CG-CD2 4.04Å; R54-I173 HydrophobicContact CB-CD1 4.33Å; R54-N357 PolarHBondContact NH2-O 3.44Å |
| 55 | Q | 97.1 | Very high | 97.3 | Very high | 106 Ų | 106 | 53.6 Ų | 53.6 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 179.1 | -73.9 | 174.8 | -15.3 | 0 | 0 | 112.2 | K51 E52 E53 L57 T58 Q59 | K51-Q55 VanDerWaalsContact O-CG 3.32Å; K51-Q55 WeakPolarHBondContact O-CG 3.28Å; K51-Q55 PolarHBondContact O-N 3.05Å; E52-Q55 PolarHBondContact O-N 3.06Å; E53-Q55 VanDerWaalsContact C-N 3.29Å; E53-Q55 PolarHBondContact O-N 3.23Å; Q55-L57 PolarHBondContact O-N 3.05Å; Q55-T58 PolarHBondContact O-N 2.98Å; Q55-Q59 WeakPolarHBondContact O-CB 3.43Å; Q55-Q59 PolarHBondContact O-N 3.33Å |
| 56 | E | 97.6 | Very high | 97.2 | Very high | 98 Ų | 98 | 54.3 Ų | 54.3 | 46% | 0.458 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56 | -52.4 | 177.6 | -176.5 | -161 | 154.7 | 0 | 0 | 111.1 | Y45 E52 E53 T58 Q59 K60 | Y45-E56 PolarHBondContact OH-OE2 3.24Å; E52-E56 WeakPolarHBondContact O-CB 3.45Å; E52-E56 PolarHBondContact O-N 3.49Å; E53-E56 PolarHBondContact O-N 2.66Å; E56-T58 PolarHBondContact O-N 3.32Å; E56-Q59 PolarHBondContact O-N 2.92Å; E56-K60 PolarHBondContact O-N 3.39Å |
| 57 | L | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.9 | -36.4 | -177.7 | -70.6 | -175.2 | 0 | 0 | 0 | 112.6 | E53 Q55 K60 L61 Y142 I166 V169 L170 | E53-L57 HydrophobicContact CG-CD1 3.87Å; E53-L57 HydrophobicContact CG-CG 4.34Å; E53-L57 WeakPolarHBondContact O-CB 3.3Å; E53-L57 WeakPolarHBondContact O-CG 3.47Å; E53-L57 PolarHBondContact O-N 3.48Å; Q55-L57 PolarHBondContact O-N 3.05Å; L57-K60 PolarHBondContact O-N 3.22Å; L57-L61 PolarHBondContact O-N 3.29Å; L57-L61 VanDerWaalsContact O-N 3.17Å; L57-Y142 HydrophobicContact CD2-CE1 3.82Å; L57-I166 HydrophobicContact CB-CG2 3.66Å; L57-I166 HydrophobicContact CD1-CG2 4.45Å; L57-I166 HydrophobicContact CD2-CG1 4.4Å; L57-I166 HydrophobicContact CD2-CG2 4.14Å; L57-I166 HydrophobicContact CG-CG2 4.29Å; L57-I166 WeakPolarHBondContact O-CG2 3.48Å; L57-V169 HydrophobicContact CD1-CB 4.22Å; L57-V169 HydrophobicContact CD1-CG1 3.57Å; L57-L170 HydrophobicContact CB-CD2 3.9Å; L57-L170 HydrophobicContact CB-CG 4.49Å |
| 58 | T | 98.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 173.9 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | R54 Q55 E56 K60 L61 V62 L67 Y77 L170 | R54-T58 WeakPolarHBondContact O-CB 3.3Å; R54-T58 PolarHBondContact O-N 3.13Å; R54-T58 PolarHBondContact O-OG1 3.15Å; Q55-T58 PolarHBondContact O-N 2.98Å; E56-T58 PolarHBondContact O-N 3.32Å; T58-K60 VanDerWaalsContact C-N 3.29Å; T58-K60 PolarHBondContact O-N 3.5Å; T58-L61 PolarHBondContact O-N 3.06Å; T58-V62 WeakPolarHBondContact O-CG2 3.43Å; T58-V62 PolarHBondContact O-N 3.25Å; T58-L67 HydrophobicContact CG2-CD2 3.89Å; T58-Y77 HydrophobicContact CG2-CD1 3.99Å; T58-Y77 HydrophobicContact CG2-CD2 4.05Å; T58-Y77 HydrophobicContact CG2-CE1 3.45Å; T58-Y77 VanDerWaalsContact CG2-CE1 3.45Å; T58-Y77 HydrophobicContact CG2-CE2 3.52Å; T58-Y77 HydrophobicContact CG2-CG 4.28Å; T58-Y77 WeakPolarHBondContact CG2-OH 3.38Å; T58-L170 WeakPolarHBondContact OG1-CD2 3.39Å |
| 59 | Q | 97.9 | Very high | 97.1 | Very high | 94 Ų | 94 | 61.9 Ų | 61.9 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 178.8 | -178.9 | 56.8 | 34.7 | 0 | 0 | 111.6 | Q55 E56 L61 V62 E63 | Q55-Q59 WeakPolarHBondContact O-CB 3.43Å; Q55-Q59 PolarHBondContact O-N 3.33Å; E56-Q59 PolarHBondContact O-N 2.92Å; Q59-L61 PolarHBondContact O-N 3.07Å; Q59-V62 WeakPolarHBondContact O-CB 3.45Å; Q59-V62 PolarHBondContact O-N 3.43Å; Q59-V62 VanDerWaalsContact O-N 3.13Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.44Å; Q59-E63 PolarHBondContact NE2-OE1 3.24Å; Q59-E63 WeakPolarHBondContact O-CG 3.4Å; Q59-E63 PolarHBondContact O-N 3.08Å |
| 60 | K | 97.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 34% | 0.343 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 175.3 | -174.3 | 168.4 | 177.1 | -175.3 | 0 | 112.9 | E56 L57 T58 V62 E63 L64 I166 | E56-K60 PolarHBondContact O-N 3.39Å; L57-K60 PolarHBondContact O-N 3.22Å; T58-K60 VanDerWaalsContact C-N 3.29Å; T58-K60 PolarHBondContact O-N 3.5Å; K60-V62 VanDerWaalsContact C-N 3.33Å; K60-E63 PolarHBondContact O-N 3.08Å; K60-L64 HydrophobicContact CG-CD1 4.28Å; K60-L64 VanDerWaalsContact O-CG 3.26Å; K60-L64 WeakPolarHBondContact O-CG 3.45Å; K60-L64 PolarHBondContact O-N 3.18Å; K60-L64 VanDerWaalsContact O-N 3.09Å; K60-I166 HydrophobicContact CB-CD1 4.38Å; K60-I166 HydrophobicContact CD-CD1 3.6Å; K60-I166 HydrophobicContact CG-CD1 3.88Å |
| 61 | L | 97.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 64 Ų | 64 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.7 | -31.4 | 175.1 | -74.1 | -175.6 | 0 | 0 | 0 | 113.1 | L57 T58 Q59 L64 G65 S66 L67 I166 L170 | L57-L61 PolarHBondContact O-N 3.29Å; L57-L61 VanDerWaalsContact O-N 3.17Å; T58-L61 PolarHBondContact O-N 3.06Å; Q59-L61 PolarHBondContact O-N 3.07Å; L61-L64 PolarHBondContact O-N 3.07Å; L61-G65 PolarHBondContact O-N 3.23Å; L61-S66 PolarHBondContact O-N 2.84Å; L61-S66 VanDerWaalsContact O-N 3.08Å; L61-L67 HydrophobicContact CB-CB 3.6Å; L61-L67 HydrophobicContact CB-CD2 4.16Å; L61-L67 HydrophobicContact CD1-CB 4.39Å; L61-L67 HydrophobicContact CD1-CD2 4.33Å; L61-L67 PolarHBondContact O-N 3.28Å; L61-I166 HydrophobicContact CD1-CB 4.07Å; L61-I166 HydrophobicContact CD1-CG2 3.8Å; L61-I166 HydrophobicContact CD2-CB 3.84Å; L61-I166 HydrophobicContact CD2-CD1 4.25Å; L61-I166 HydrophobicContact CD2-CG2 4.21Å; L61-I166 HydrophobicContact CG-CB 3.88Å; L61-I166 HydrophobicContact CG-CG2 3.67Å; L61-L170 HydrophobicContact CD1-CD1 3.75Å |
| 62 | V | 97.9 | Very high | 97.1 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 28% | 0.279 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 173.3 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | T58 Q59 K60 L64 G65 L67 Y77 | T58-V62 WeakPolarHBondContact O-CG2 3.43Å; T58-V62 PolarHBondContact O-N 3.25Å; Q59-V62 WeakPolarHBondContact O-CB 3.45Å; Q59-V62 PolarHBondContact O-N 3.43Å; Q59-V62 VanDerWaalsContact O-N 3.13Å; K60-V62 VanDerWaalsContact C-N 3.33Å; V62-L64 VanDerWaalsContact C-N 3.3Å; V62-L64 PolarHBondContact O-N 3.27Å; V62-G65 PolarHBondContact O-N 2.94Å; V62-G65 VanDerWaalsContact O-N 3.14Å; V62-L67 VanDerWaalsContact CA-O 3.25Å; V62-L67 WeakPolarHBondContact CA-O 3.44Å; V62-L67 WeakPolarHBondContact CG2-O 3.35Å; V62-Y77 HydrophobicContact CG2-CD1 4.05Å; V62-Y77 HydrophobicContact CG2-CE1 3.77Å |
| 63 | E | 97 | Very high | 97.1 | Very high | 140 Ų | 140 | 55.4 Ų | 55.4 | 65% | 0.654 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.2 | -34.2 | 176.8 | -72.8 | 166.3 | -167.6 | 0 | 0 | 112.9 | Q59 K60 G65 | Q59-E63 WeakPolarHBondContact CG-OE1 3.44Å; Q59-E63 PolarHBondContact NE2-OE1 3.24Å; Q59-E63 WeakPolarHBondContact O-CG 3.4Å; Q59-E63 PolarHBondContact O-N 3.08Å; K60-E63 PolarHBondContact O-N 3.08Å; E63-G65 VanDerWaalsContact C-N 3.26Å; E63-G65 PolarHBondContact O-N 2.82Å |
| 64 | L | 94.8 | Very high | 97.1 | Very high | 96 Ų | 96 | 61.6 Ų | 61.6 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -10.3 | 176.1 | -70 | 172.3 | 0 | 0 | 0 | 113.8 | K60 L61 V62 S66 H212 | K60-L64 HydrophobicContact CG-CD1 4.28Å; K60-L64 VanDerWaalsContact O-CG 3.26Å; K60-L64 WeakPolarHBondContact O-CG 3.45Å; K60-L64 PolarHBondContact O-N 3.18Å; K60-L64 VanDerWaalsContact O-N 3.09Å; L61-L64 PolarHBondContact O-N 3.07Å; V62-L64 VanDerWaalsContact C-N 3.3Å; V62-L64 PolarHBondContact O-N 3.27Å; L64-S66 VanDerWaalsContact C-N 3.3Å; L64-S66 PolarHBondContact O-N 2.83Å; L64-H212 PolarHBondContact O-ND1 2.98Å |
| 65 | G | 95.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 61.9 Ų | 61.9 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L61 V62 E63 H68 | L61-G65 PolarHBondContact O-N 3.23Å; V62-G65 PolarHBondContact O-N 2.94Å; V62-G65 VanDerWaalsContact O-N 3.14Å; E63-G65 VanDerWaalsContact C-N 3.26Å; E63-G65 PolarHBondContact O-N 2.82Å; G65-H68 PolarHBondContact O-NE2 2.98Å |
| 66 | S | 95.5 | Very high | 97.1 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -82.5 | -18.6 | 178.1 | -56.8 | 0 | 0 | 0 | 0 | 113.2 | L61 L64 T79 H212 | L61-S66 PolarHBondContact O-N 2.84Å; L61-S66 VanDerWaalsContact O-N 3.08Å; L64-S66 VanDerWaalsContact C-N 3.3Å; L64-S66 PolarHBondContact O-N 2.83Å; S66-T79 WeakPolarHBondContact O-CB 3.41Å; S66-T79 PolarHBondContact O-OG1 2.94Å; S66-H212 PolarHBondContact OG-O 3.22Å |
| 67 | L | 97.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | trans | -136.8 | 132.5 | -176.9 | -169.8 | 71.4 | 0 | 0 | 0 | 109.1 | T58 L61 V62 Y77 L170 I359 | T58-L67 HydrophobicContact CG2-CD2 3.89Å; L61-L67 HydrophobicContact CB-CB 3.6Å; L61-L67 HydrophobicContact CB-CD2 4.16Å; L61-L67 HydrophobicContact CD1-CB 4.39Å; L61-L67 HydrophobicContact CD1-CD2 4.33Å; L61-L67 PolarHBondContact O-N 3.28Å; V62-L67 VanDerWaalsContact CA-O 3.25Å; V62-L67 WeakPolarHBondContact CA-O 3.44Å; V62-L67 WeakPolarHBondContact CG2-O 3.35Å; L67-Y77 HydrophobicContact CD1-CG 4.42Å; L67-Y77 HydrophobicContact CD2-CD1 3.78Å; L67-Y77 HydrophobicContact CD2-CG 3.82Å; L67-Y77 HydrophobicContact CG-CD1 3.85Å; L67-Y77 HydrophobicContact CG-CG 3.98Å; L67-L170 HydrophobicContact CD2-CD1 4.24Å; L67-I359 HydrophobicContact CD1-CG2 4.15Å | ||
| 68 | H | 97.3 | Very high | 97.2 | Very high | 95 Ų | 95 | 53.6 Ų | 53.6 | 44% | 0.44 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.9 | 179.7 | -54.7 | -84.4 | 0 | 0 | 0 | 110 | G65 Y77 I78 | G65-H68 PolarHBondContact O-NE2 2.98Å; H68-Y77 CarbonylContact O-C 3.51Å; H68-Y77 WeakPolarHBondContact O-CA 3.33Å; H68-I78 HydrophobicContact CB-CG2 3.82Å; H68-I78 PolarHBondContact N-O 2.94Å; H68-I78 PolarHBondContact O-N 2.9Å |
| 69 | K | 97.6 | Very high | 97.2 | Very high | 124 Ų | 124 | 53.5 Ų | 53.5 | 54% | 0.539 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 139.6 | 174.8 | -171 | 173.4 | -177 | 177.7 | 0 | 109.3 | P71 Y77 | K69-P71 VanDerWaalsContact O-CD 3.32Å; K69-P71 WeakPolarHBondContact O-CD 3.4Å; K69-Y77 HydrophobicContact CB-CD1 4.05Å; K69-Y77 HydrophobicContact CB-CE1 3.82Å; K69-Y77 HydrophobicContact CG-CE1 4.09Å |
| 70 | L | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -97 | 101.7 | 172.2 | -65.3 | 169 | 0 | 0 | 0 | 108.9 | P72 Y73 N76 I78 F360 Q365 G369 I371 | L70-P72 VanDerWaalsContact C-CD 3.4Å; L70-Y73 HydrophobicContact CB-CD2 3.8Å; L70-Y73 HydrophobicContact CB-CE2 4.44Å; L70-Y73 HydrophobicContact CD1-CD2 4.3Å; L70-Y73 PolarHBondContact O-N 2.83Å; L70-N76 HydrophobicContact CB-CB 4.31Å; L70-N76 HydrophobicContact CD1-CB 4.17Å; L70-N76 PolarHBondContact N-O 3.5Å; L70-I78 HydrophobicContact CD1-CB 4.16Å; L70-I78 HydrophobicContact CD2-CB 3.96Å; L70-I78 HydrophobicContact CD2-CD1 4.49Å; L70-I78 HydrophobicContact CD2-CG2 3.72Å; L70-I78 HydrophobicContact CG-CB 4.1Å; L70-I78 HydrophobicContact CG-CG2 4.12Å; L70-F360 HydrophobicContact CD1-CD2 3.72Å; L70-F360 HydrophobicContact CD1-CE2 4.13Å; L70-Q365 HydrophobicContact CD2-CB 4.46Å; L70-G369 WeakPolarHBondContact CD2-O 3.45Å; L70-I371 HydrophobicContact CD1-CG2 3.65Å | ||
| 71 | P | 96.2 | Very high | 97.2 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 64% | 0.643 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -35.1 | -171.7 | -24.4 | 34.5 | 0 | 0 | 0 | 116.1 | K69 Y73 | K69-P71 VanDerWaalsContact O-CD 3.32Å; K69-P71 WeakPolarHBondContact O-CD 3.4Å; P71-Y73 PolarHBondContact O-N 2.92Å; P71-Y73 VanDerWaalsContact O-N 3.13Å |
| 72 | P | 96.3 | Very high | 97.2 | Very high | 51 Ų | 51 | 46.3 Ų | 46.3 | 33% | 0.331 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -10.6 | -178.9 | -25.5 | 36.4 | 0 | 0 | 0 | 115.7 | L70 D368 G369 H370 | L70-P72 VanDerWaalsContact C-CD 3.4Å; P72-D368 WeakPolarHBondContact CD-O 3.39Å; P72-D368 WeakPolarHBondContact CG-O 3.43Å; P72-G369 WeakPolarHBondContact CD-O 3.49Å; P72-H370 VanDerWaalsContact CB-CE1 3.45Å; P72-H370 WeakPolarHBondContact CB-CE1 3.45Å |
| 73 | Y | 97.3 | Very high | 97.1 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -127.5 | 151.7 | -169.7 | -50.1 | -70.9 | 0 | 0 | 0 | 112.3 | L70 P71 N75 N76 M355 H370 I371 | L70-Y73 HydrophobicContact CB-CD2 3.8Å; L70-Y73 HydrophobicContact CB-CE2 4.44Å; L70-Y73 HydrophobicContact CD1-CD2 4.3Å; L70-Y73 PolarHBondContact O-N 2.83Å; P71-Y73 PolarHBondContact O-N 2.92Å; P71-Y73 VanDerWaalsContact O-N 3.13Å; Y73-N75 PolarHBondContact O-N 2.67Å; Y73-N76 WeakPolarHBondContact CB-ND2 3.36Å; Y73-M355 HydrophobicContact CD1-CB 4.48Å; Y73-M355 HydrophobicContact CD1-SD 3.75Å; Y73-M355 HydrophobicContact CE1-SD 3.44Å; Y73-M355 WeakPolarHBondContact CE1-SD 3.35Å; Y73-H370 WeakPolarHBondContact OH-CA 3.32Å; Y73-H370 PolarHBondContact OH-ND1 3.12Å; Y73-I371 HydrophobicContact CE2-CG2 3.85Å; Y73-I371 PolarHBondContact OH-N 2.86Å |
| 74 | E | 96.8 | Very high | 97.1 | Very high | 130 Ų | 130 | 45.6 Ų | 45.6 | 61% | 0.607 | 24% | 0.236 | S | C | * | . | B | Isolated β-bridge | trans | -75.6 | 110.1 | -178.8 | -173.3 | -169.1 | 153.7 | 0 | 0 | 111 | N76 K356 N357 | E74-N76 PolarHBondContact O-N 2.82Å; E74-N76 PolarHBondContact O-OD1 2.75Å; E74-K356 HydrophobicContact CB-CB 4Å; E74-K356 CarbonylContact O-C 3.59Å; E74-K356 WeakPolarHBondContact O-CA 3.03Å; E74-K356 WeakPolarHBondContact O-CB 3.5Å; E74-N357 PolarHBondContact O-N 2.93Å |
| 75 | N | 96.8 | Very high | 97.2 | Very high | 46 Ų | 46 | 41.3 Ų | 41.3 | 25% | 0.246 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 33.3 | 174 | -164 | 44.9 | 0 | 0 | 0 | 113.4 | Y73 Y77 N357 | Y73-N75 PolarHBondContact O-N 2.67Å; N75-Y77 WeakPolarHBondContact OD1-CE2 3.31Å; N75-N357 WeakPolarHBondContact CB-OD1 3.31Å; N75-N357 PolarHBondContact ND2-OD1 3.33Å; N75-N357 WeakPolarHBondContact O-CA 3.5Å |
| 76 | N | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -96.4 | 148.4 | 171.8 | -74.2 | 0.6 | 0 | 0 | 0 | 111.6 | L70 Y73 E74 C354 M355 K356 N357 T358 F360 | L70-N76 HydrophobicContact CB-CB 4.31Å; L70-N76 HydrophobicContact CD1-CB 4.17Å; L70-N76 PolarHBondContact N-O 3.5Å; Y73-N76 WeakPolarHBondContact CB-ND2 3.36Å; E74-N76 PolarHBondContact O-N 2.82Å; E74-N76 PolarHBondContact O-OD1 2.75Å; N76-C354 PolarHBondContact ND2-O 2.81Å; N76-M355 VanDerWaalsContact ND2-C 3.32Å; N76-M355 PolarHBondContact ND2-O 2.85Å; N76-K356 WeakPolarHBondContact OD1-CA 3.28Å; N76-K356 PolarHBondContact OD1-N 2.93Å; N76-N357 PolarHBondContact OD1-N 2.99Å; N76-T358 VanDerWaalsContact CA-O 3.26Å; N76-T358 WeakPolarHBondContact CA-O 3.48Å; N76-T358 WeakPolarHBondContact OD1-CB 3.42Å; N76-T358 PolarHBondContact OD1-N 3.3Å; N76-F360 HydrophobicContact CB-CE2 4.24Å; N76-F360 WeakPolarHBondContact ND2-CE2 3.18Å | ||
| 77 | Y | 98.5 | Very high | 97.1 | Very high | 24 Ų | 24 | 41.2 Ų | 41.2 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.5 | -178.9 | -62.4 | -95.3 | 0 | 0 | 0 | 111.3 | T58 V62 L67 H68 K69 N75 T358 F360 | T58-Y77 HydrophobicContact CG2-CD1 3.99Å; T58-Y77 HydrophobicContact CG2-CD2 4.05Å; T58-Y77 HydrophobicContact CG2-CE1 3.45Å; T58-Y77 VanDerWaalsContact CG2-CE1 3.45Å; T58-Y77 HydrophobicContact CG2-CE2 3.52Å; T58-Y77 HydrophobicContact CG2-CG 4.28Å; T58-Y77 WeakPolarHBondContact CG2-OH 3.38Å; V62-Y77 HydrophobicContact CG2-CD1 4.05Å; V62-Y77 HydrophobicContact CG2-CE1 3.77Å; L67-Y77 HydrophobicContact CD1-CG 4.42Å; L67-Y77 HydrophobicContact CD2-CD1 3.78Å; L67-Y77 HydrophobicContact CD2-CG 3.82Å; L67-Y77 HydrophobicContact CG-CD1 3.85Å; L67-Y77 HydrophobicContact CG-CG 3.98Å; H68-Y77 CarbonylContact O-C 3.51Å; H68-Y77 WeakPolarHBondContact O-CA 3.33Å; K69-Y77 HydrophobicContact CB-CD1 4.05Å; K69-Y77 HydrophobicContact CB-CE1 3.82Å; K69-Y77 HydrophobicContact CG-CE1 4.09Å; N75-Y77 WeakPolarHBondContact OD1-CE2 3.31Å; Y77-T358 PolarHBondContact N-O 3.37Å; Y77-F360 PolarHBondContact O-N 2.93Å |
| 78 | I | 98.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 143.6 | 176.6 | -170.6 | 170.8 | 0 | 0 | 0 | 110 | H68 L70 F360 V363 Q365 | H68-I78 HydrophobicContact CB-CG2 3.82Å; H68-I78 PolarHBondContact N-O 2.94Å; H68-I78 PolarHBondContact O-N 2.9Å; L70-I78 HydrophobicContact CD1-CB 4.16Å; L70-I78 HydrophobicContact CD2-CB 3.96Å; L70-I78 HydrophobicContact CD2-CD1 4.49Å; L70-I78 HydrophobicContact CD2-CG2 3.72Å; L70-I78 HydrophobicContact CG-CB 4.1Å; L70-I78 HydrophobicContact CG-CG2 4.12Å; I78-F360 CarbonylContact C-O 3.27Å; I78-F360 WeakPolarHBondContact CA-O 3.42Å; I78-F360 HydrophobicContact CG1-CB 4.46Å; I78-V363 HydrophobicContact CD1-CG2 3.5Å; I78-V363 HydrophobicContact CG1-CG2 3.95Å; I78-Q365 HydrophobicContact CD1-CB 4.24Å; I78-Q365 HydrophobicContact CD1-CG 4.44Å |
| 79 | T | 98 | Very high | 96.5 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 147 | 170.2 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | S66 Y167 W213 I359 F360 T361 N362 | S66-T79 WeakPolarHBondContact O-CB 3.41Å; S66-T79 PolarHBondContact O-OG1 2.94Å; T79-Y167 HydrophobicContact CG2-CD2 4.05Å; T79-Y167 HydrophobicContact CG2-CE2 3.65Å; T79-W213 HydrophobicContact CG2-CZ3 4.37Å; T79-I359 HydrophobicContact CG2-CG2 4.48Å; T79-F360 PolarHBondContact N-O 3.35Å; T79-T361 HydrophobicContact CG2-CG2 4.09Å; T79-T361 WeakPolarHBondContact O-CA 3.31Å; T79-N362 PolarHBondContact O-N 3.27Å |
| 80 | C | 97.3 | Very high | 96.2 | Very high | 33 Ų | 33 | 34.2 Ų | 34.2 | 22% | 0.223 | 18% | 0.181 | C | C | . | . | trans | -116.7 | 128.9 | 174.6 | -63.8 | 0 | 0 | 0 | 0 | 108.8 | N211 N362 W389 | C80-N211 WeakPolarHBondContact O-CB 3.38Å; C80-N362 WeakPolarHBondContact CA-OD1 3.44Å; C80-W389 WeakPolarHBondContact CB-O 3.15Å; C80-W389 PolarHBondContact SG-O 3.44Å; C80-W389 VanDerWaalsContact SG-O 3.35Å | ||
| 81 | T | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -86 | 171.6 | -177.4 | 70.3 | 0 | 0 | 0 | 0 | 111.4 | D85 V86 N211 W213 T361 N362 | T81-D85 PolarHBondContact OG1-O 2.76Å; T81-D85 VanDerWaalsContact OG1-O 3.13Å; T81-V86 WeakPolarHBondContact OG1-CG1 3.32Å; T81-N211 PolarHBondContact O-ND2 2.9Å; T81-W213 HydrophobicContact CG2-CD2 3.72Å; T81-W213 HydrophobicContact CG2-CE3 3.87Å; T81-W213 HydrophobicContact CG2-CG 4.4Å; T81-W213 HydrophobicContact CG2-CH2 3.7Å; T81-W213 HydrophobicContact CG2-CZ2 3.52Å; T81-W213 HydrophobicContact CG2-CZ3 3.88Å; T81-T361 HydrophobicContact CG2-CG2 3.66Å; T81-N362 PolarHBondContact N-OD1 3.49Å; T81-N362 PolarHBondContact OG1-ND2 3.12Å; T81-N362 PolarHBondContact OG1-OD1 3.36Å | ||
| 82 | D | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | trans | -58.9 | 132.3 | 157.3 | -173.6 | -47.9 | 0 | 0 | 0 | 108.3 | R84 D85 I210 C215 | D82-R84 PolarHBondContact O-N 3.31Å; D82-R84 VanDerWaalsContact OD1-CB 3.22Å; D82-R84 WeakPolarHBondContact OD1-CB 3.44Å; D82-R84 WeakPolarHBondContact OD1-CG 3.38Å; D82-R84 IonicContact OD1-CZ 2.99Å; D82-R84 PolarHBondContact OD1-N 3.05Å; D82-R84 IonicContact OD1-NE 2.79Å; D82-R84 PolarHBondContact OD1-NE 3.27Å; D82-R84 IonicContact OD1-NH2 3.2Å; D82-R84 IonicContact OD2-CZ 3.6Å; D82-R84 IonicContact OD2-NE 2.7Å; D82-R84 PolarHBondContact OD2-NE 3.08Å; D82-R84 IonicContact OD2-NH2 3.08Å; D82-R84 PolarHBondContact OD2-NH2 3.2Å; D82-D85 CarbonylContact O-C 3.6Å; D82-D85 PolarHBondContact O-N 2.7Å; D82-I210 HydrophobicContact CB-CB 4.47Å; D82-C215 VanDerWaalsContact CB-SG 3.52Å | ||
| 83 | P | 96.2 | Very high | 96 | Very high | 54 Ų | 54 | 32.5 Ų | 32.5 | 35% | 0.351 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -16.4 | 178.2 | -27.2 | 36.6 | 0 | 0 | 0 | 114.9 | D85 V86 W389 L390 | P83-D85 VanDerWaalsContact C-N 3.34Å; P83-V86 WeakPolarHBondContact O-CG1 3.46Å; P83-W389 HydrophobicContact CB-CH2 3.88Å; P83-W389 HydrophobicContact CB-CZ3 4.34Å; P83-W389 HydrophobicContact CG-CH2 4.26Å; P83-W389 HydrophobicContact CG-CZ3 4.37Å; P83-L390 HydrophobicContact CB-CD2 4.22Å; P83-L390 HydrophobicContact CG-CD2 3.57Å |
| 84 | R | 96.3 | Very high | 96.1 | Very high | 117 Ų | 117 | 34 Ų | 34 | 44% | 0.442 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -7.8 | 174.4 | -58.7 | 172.9 | -68.1 | 179.3 | -6.2 | 113.2 | D82 P217 E218 | D82-R84 PolarHBondContact O-N 3.31Å; D82-R84 VanDerWaalsContact OD1-CB 3.22Å; D82-R84 WeakPolarHBondContact OD1-CB 3.44Å; D82-R84 WeakPolarHBondContact OD1-CG 3.38Å; D82-R84 IonicContact OD1-CZ 2.99Å; D82-R84 PolarHBondContact OD1-N 3.05Å; D82-R84 IonicContact OD1-NE 2.79Å; D82-R84 PolarHBondContact OD1-NE 3.27Å; D82-R84 IonicContact OD1-NH2 3.2Å; D82-R84 IonicContact OD2-CZ 3.6Å; D82-R84 IonicContact OD2-NE 2.7Å; D82-R84 PolarHBondContact OD2-NE 3.08Å; D82-R84 IonicContact OD2-NH2 3.08Å; D82-R84 PolarHBondContact OD2-NH2 3.2Å; R84-P217 HydrophobicContact CB-CB 3.99Å; R84-P217 HydrophobicContact CB-CG 3.6Å; R84-P217 HydrophobicContact CG-CG 4.5Å; R84-E218 IonicContact NH1-OE1 3.79Å; R84-E218 PolarHBondContact NH1-OE1 3.09Å |
| 85 | D | 97.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -128.5 | 65.4 | -176.9 | -169.5 | 27.7 | 0 | 0 | 0 | 111.9 | T81 D82 P83 W213 C215 S236 G237 Y238 | T81-D85 PolarHBondContact OG1-O 2.76Å; T81-D85 VanDerWaalsContact OG1-O 3.13Å; D82-D85 CarbonylContact O-C 3.6Å; D82-D85 PolarHBondContact O-N 2.7Å; P83-D85 VanDerWaalsContact C-N 3.34Å; D85-W213 PolarHBondContact OD2-NE1 2.96Å; D85-C215 HydrophobicContact CB-CB 4.01Å; D85-S236 VanDerWaalsContact OD1-CB 3.28Å; D85-S236 WeakPolarHBondContact OD1-CB 3.41Å; D85-S236 PolarHBondContact OD1-OG 2.91Å; D85-G237 PolarHBondContact OD2-N 3.04Å; D85-Y238 WeakPolarHBondContact O-CB 3.47Å; D85-Y238 WeakPolarHBondContact OD1-CB 3.32Å; D85-Y238 PolarHBondContact OD2-N 3.16Å |
| 86 | V | 96 | Very high | 96.2 | Very high | 20 Ų | 20 | 26.1 Ų | 26.1 | 12% | 0.121 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -124.2 | -5.1 | -168 | -63.6 | 0 | 0 | 0 | 0 | 115 | T81 P83 Y238 W389 H406 N408 | T81-V86 WeakPolarHBondContact OG1-CG1 3.32Å; P83-V86 WeakPolarHBondContact O-CG1 3.46Å; V86-Y238 VanDerWaalsContact O-CE2 3.23Å; V86-Y238 WeakPolarHBondContact O-CE2 3.49Å; V86-Y238 PolarHBondContact O-OH 3.41Å; V86-W389 HydrophobicContact CG1-CH2 3.79Å; V86-W389 HydrophobicContact CG1-CZ3 3.68Å; V86-H406 WeakPolarHBondContact CG2-NE2 3.32Å; V86-N408 PolarHBondContact O-ND2 2.81Å |
| 87 | A | 92.7 | Very high | 96.2 | Very high | 15 Ų | 15 | 27.1 Ų | 27.1 | 12% | 0.124 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -157.8 | 174.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y238 N241 | A87-Y238 VanDerWaalsContact CA-CE1 3.49Å; A87-N241 PolarHBondContact O-ND2 3.29Å |
| 88 | R | 90.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 31.7 Ų | 31.7 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | trans | -69.2 | 140.3 | 168.2 | -67.4 | 178.2 | -63.4 | 125.3 | 4.8 | 109.9 | E90 A472 A473 | R88-E90 IonicContact NH1-OE1 3.96Å; R88-E90 IonicContact NH2-OE1 2.89Å; R88-A472 PolarHBondContact NH2-O 3.15Å; R88-A473 WeakPolarHBondContact O-CA 3.44Å | ||
| 89 | V | 91.2 | Very high | 96 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | trans | -109.1 | 86.5 | 174.7 | -76.8 | 0 | 0 | 0 | 0 | 109.8 | S91 K92 T93 T220 I222 | V89-S91 PolarHBondContact O-N 2.62Å; V89-K92 HydrophobicContact CB-CB 4.17Å; V89-K92 HydrophobicContact CB-CD 4.23Å; V89-K92 HydrophobicContact CB-CG 4.42Å; V89-K92 HydrophobicContact CG2-CB 3.82Å; V89-K92 HydrophobicContact CG2-CD 4.09Å; V89-K92 HydrophobicContact CG2-CG 4.41Å; V89-K92 CarbonylContact O-C 3.59Å; V89-K92 PolarHBondContact O-N 2.97Å; V89-T93 PolarHBondContact O-N 2.89Å; V89-T93 PolarHBondContact O-OG1 3.48Å; V89-T220 HydrophobicContact CG2-CG2 3.78Å; V89-I222 HydrophobicContact CG2-CD1 3.74Å | ||
| 90 | E | 91.5 | Very high | 95.9 | Very high | 27 Ų | 27 | 41.6 Ų | 41.6 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -58.9 | -35.3 | -178 | -65.9 | 180 | -167.2 | 0 | 0 | 111.4 | R88 K92 T93 A473 F475 R488 P489 | R88-E90 IonicContact NH1-OE1 3.96Å; R88-E90 IonicContact NH2-OE1 2.89Å; E90-K92 PolarHBondContact O-N 2.65Å; E90-K92 VanDerWaalsContact O-N 3.13Å; E90-T93 PolarHBondContact O-N 3.01Å; E90-T93 VanDerWaalsContact O-N 3.14Å; E90-A473 HydrophobicContact CG-CB 4.24Å; E90-A473 WeakPolarHBondContact OE1-CB 3.36Å; E90-F475 WeakPolarHBondContact OE2-CE2 3.47Å; E90-F475 WeakPolarHBondContact OE2-CZ 3.34Å; E90-R488 VanDerWaalsContact CD-NH2 3.32Å; E90-R488 IonicContact OE1-NH2 2.65Å; E90-R488 PolarHBondContact OE1-NH2 3.14Å; E90-R488 VanDerWaalsContact OE1-NH2 3.16Å; E90-R488 IonicContact OE2-CZ 3.5Å; E90-R488 IonicContact OE2-NH1 3.37Å; E90-R488 PolarHBondContact OE2-NH1 3.26Å; E90-R488 IonicContact OE2-NH2 3.55Å; E90-R488 PolarHBondContact OE2-NH2 2.68Å; E90-P489 VanDerWaalsContact CD-CB 3.46Å; E90-P489 HydrophobicContact CG-CB 4Å; E90-P489 WeakPolarHBondContact OE1-CB 3.39Å |
| 91 | S | 93.3 | Very high | 95.9 | Very high | 34 Ų | 34 | 43.3 Ų | 43.3 | 24% | 0.238 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -62.5 | -13.7 | 173.4 | 64.6 | 0 | 0 | 0 | 0 | 115.6 | V89 R117 E474 | V89-S91 PolarHBondContact O-N 2.62Å; S91-R117 VanDerWaalsContact CA-CZ 3.46Å; S91-R117 VanDerWaalsContact O-CZ 3.29Å; S91-R117 PolarHBondContact O-NH1 3.31Å; S91-E474 WeakPolarHBondContact CB-OE1 3.25Å; S91-E474 WeakPolarHBondContact CB-OE2 3.38Å; S91-E474 PolarHBondContact N-OE1 2.87Å; S91-E474 PolarHBondContact OG-OE1 2.85Å; S91-E474 PolarHBondContact OG-OE2 3.33Å |
| 92 | K | 96.3 | Very high | 95.8 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -120.1 | 13.3 | 178.8 | -62.4 | 174.2 | 173.1 | 179.3 | 0 | 112.2 | V89 E90 W94 P217 T220 I222 | V89-K92 HydrophobicContact CB-CB 4.17Å; V89-K92 HydrophobicContact CB-CD 4.23Å; V89-K92 HydrophobicContact CB-CG 4.42Å; V89-K92 HydrophobicContact CG2-CB 3.82Å; V89-K92 HydrophobicContact CG2-CD 4.09Å; V89-K92 HydrophobicContact CG2-CG 4.41Å; V89-K92 CarbonylContact O-C 3.59Å; V89-K92 PolarHBondContact O-N 2.97Å; E90-K92 PolarHBondContact O-N 2.65Å; E90-K92 VanDerWaalsContact O-N 3.13Å; K92-W94 VanDerWaalsContact O-CD1 3.3Å; K92-P217 PolarHBondContact NZ-O 2.79Å; K92-T220 HydrophobicContact CD-CG2 4.3Å; K92-T220 WeakPolarHBondContact CD-O 3.41Å; K92-I222 PolarHBondContact O-N 3.14Å |
| 93 | T | 97.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 9% | 0.086 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.6 | -180 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | V89 E90 I222 | V89-T93 PolarHBondContact O-N 2.89Å; V89-T93 PolarHBondContact O-OG1 3.48Å; E90-T93 PolarHBondContact O-N 3.01Å; E90-T93 VanDerWaalsContact O-N 3.14Å; T93-I222 CarbonylContact C-O 3.42Å; T93-I222 VanDerWaalsContact CA-O 3.25Å; T93-I222 WeakPolarHBondContact CA-O 3.48Å; T93-I222 HydrophobicContact CG2-CB 4.42Å; T93-I222 HydrophobicContact CG2-CG2 4.5Å |
| 94 | W | 98.3 | Very high | 95.9 | Very high | 69 Ų | 69 | 44.7 Ų | 44.7 | 26% | 0.261 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 153.1 | -169.6 | -55 | 90.1 | 0 | 0 | 0 | 111.9 | K92 R117 W118 I119 I222 S223 H224 | K92-W94 VanDerWaalsContact O-CD1 3.3Å; W94-R117 HydrophobicContact CD2-CB 4.23Å; W94-R117 HydrophobicContact CE3-CB 3.63Å; W94-R117 HydrophobicContact CZ3-CB 3.95Å; W94-W118 VanDerWaalsContact CZ3-O 3.27Å; W94-W118 WeakPolarHBondContact CZ3-O 3.03Å; W94-I119 HydrophobicContact CB-CB 4.11Å; W94-I119 HydrophobicContact CB-CG2 3.71Å; W94-I119 HydrophobicContact CD2-CB 4.3Å; W94-I119 HydrophobicContact CE3-CB 3.99Å; W94-I119 HydrophobicContact CG-CB 4.38Å; W94-I119 HydrophobicContact CG-CG2 4.42Å; W94-I222 PolarHBondContact N-O 2.75Å; W94-S223 CarbonylContact O-C 3.46Å; W94-S223 WeakPolarHBondContact O-CA 3.48Å; W94-H224 PolarHBondContact O-N 2.85Å; W94-H224 PolarHBondContact O-ND1 2.76Å |
| 95 | I | 98.5 | Very high | 95.9 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.9 | 168.9 | -63.7 | 156.4 | 0 | 0 | 0 | 107.4 | T103 R117 W118 I119 H224 P226 V491 | I95-T103 HydrophobicContact CB-CG2 3.53Å; I95-T103 HydrophobicContact CD1-CG2 4.12Å; I95-T103 HydrophobicContact CG1-CG2 4.44Å; I95-T103 HydrophobicContact CG2-CG2 3.74Å; I95-T103 WeakPolarHBondContact CG2-OG1 3.37Å; I95-R117 PolarHBondContact N-O 3.44Å; I95-W118 WeakPolarHBondContact O-CA 3.36Å; I95-I119 PolarHBondContact O-N 3.3Å; I95-H224 CarbonylContact C-O 3.51Å; I95-H224 WeakPolarHBondContact CA-O 3.46Å; I95-H224 HydrophobicContact CG1-CB 4.19Å; I95-P226 HydrophobicContact CG2-CG 3.99Å; I95-V491 VanDerWaalsContact CD1-O 3.24Å; I95-V491 WeakPolarHBondContact CD1-O 3.48Å |
| 96 | C | 98.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.02 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.3 | -177.8 | 174 | 0 | 0 | 0 | 0 | 109.6 | I119 L124 H224 V225 | C96-I119 WeakPolarHBondContact CA-O 3.44Å; C96-I119 HydrophobicContact CB-CG2 3.86Å; C96-L124 HydrophobicContact CB-CD2 3.59Å; C96-H224 PolarHBondContact N-O 2.96Å; C96-V225 HydrophobicContact CB-CG1 4.47Å; C96-V225 HydrophobicContact CB-CG2 4.04Å |
| 97 | S | 97.5 | Very high | 95.6 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | trans | -138.1 | 161 | 174.4 | 56.9 | 0 | 0 | 0 | 0 | 109.9 | H99 T103 W118 P121 | S97-H99 VanDerWaalsContact C-N 3.32Å; S97-H99 PolarHBondContact O-N 3.15Å; S97-H99 PolarHBondContact OG-O 3.38Å; S97-T103 WeakPolarHBondContact CB-OG1 3.06Å; S97-T103 PolarHBondContact OG-OG1 2.86Å; S97-W118 PolarHBondContact O-NE1 2.74Å; S97-W118 PolarHBondContact OG-NE1 3.27Å; S97-W118 VanDerWaalsContact OG-NE1 3.14Å; S97-P121 WeakPolarHBondContact O-CD 3.37Å | ||
| 98 | E | 95.8 | Very high | 95.7 | Very high | 120 Ų | 120 | 44.4 Ų | 44.4 | 56% | 0.561 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -62.5 | -40.6 | 178.7 | -172.3 | 168 | 174.4 | 0 | 0 | 111.8 | K227 | E98-K227 IonicContact OE2-NZ 2.78Å; E98-K227 PolarHBondContact OE2-NZ 2.81Å |
| 99 | H | 96.5 | Very high | 95.9 | Very high | 111 Ų | 111 | 55.7 Ų | 55.7 | 51% | 0.514 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -116.6 | 138.6 | 175.2 | -54.7 | -55.7 | 0 | 0 | 0 | 110.9 | S97 H101 D102 | S97-H99 VanDerWaalsContact C-N 3.32Å; S97-H99 PolarHBondContact O-N 3.15Å; S97-H99 PolarHBondContact OG-O 3.38Å; H99-H101 PolarHBondContact O-N 2.7Å; H99-D102 IonicContact CD2-OD2 2.83Å; H99-D102 WeakPolarHBondContact O-CB 3.44Å; H99-D102 PolarHBondContact O-N 3.16Å; H99-D102 VanDerWaalsContact O-N 3.15Å |
| 100 | E | 96.5 | Very high | 96 | Very high | 108 Ų | 108 | 58.4 Ų | 58.4 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -55.6 | -40.2 | 177.2 | -178.6 | 167.3 | -163.2 | 0 | 0 | 112.2 | D102 T103 V104 W118 | E100-D102 PolarHBondContact O-N 2.89Å; E100-T103 PolarHBondContact O-N 2.8Å; E100-V104 HydrophobicContact CG-CG2 3.49Å; E100-V104 VanDerWaalsContact CG-CG2 3.49Å; E100-V104 PolarHBondContact O-N 2.86Å; E100-W118 HydrophobicContact CB-CD2 3.56Å; E100-W118 HydrophobicContact CB-CE3 3.61Å; E100-W118 HydrophobicContact CB-CG 3.99Å; E100-W118 HydrophobicContact CB-CH2 4.3Å; E100-W118 HydrophobicContact CB-CZ2 4.27Å; E100-W118 HydrophobicContact CB-CZ3 3.99Å; E100-W118 HydrophobicContact CG-CB 3.93Å; E100-W118 HydrophobicContact CG-CD2 3.77Å; E100-W118 HydrophobicContact CG-CE3 3.65Å; E100-W118 HydrophobicContact CG-CG 3.91Å; E100-W118 HydrophobicContact CG-CZ3 4.38Å |
| 101 | H | 96.7 | Very high | 96.2 | Very high | 68 Ų | 68 | 59 Ų | 59 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -63.4 | -20.4 | -179.2 | -173 | -113.8 | 0 | 0 | 0 | 114.4 | H99 T103 V104 N494 H497 D606 | H99-H101 PolarHBondContact O-N 2.7Å; H101-T103 PolarHBondContact O-N 2.79Å; H101-V104 WeakPolarHBondContact CA-O 3.44Å; H101-N494 PolarHBondContact CD2-ND2 3.18Å; H101-N494 PolarHBondContact NE2-ND2 3.1Å; H101-N494 WeakPolarHBondContact O-CB 3.39Å; H101-N494 PolarHBondContact O-ND2 2.88Å; H101-H497 AromaticContact CE1-CE1 3.84Å; H101-H497 AromaticContact CE1-NE2 3.87Å; H101-D606 IonicContact CD2-OD1 2.68Å; H101-D606 IonicContact CD2-OD2 3.49Å; H101-D606 PolarHBondContact CD2-OD2 2.8Å; H101-D606 IonicContact CE1-OD1 2.71Å; H101-D606 PolarHBondContact CE1-OD1 3.48Å; H101-D606 IonicContact NE2-OD1 2.82Å; H101-D606 PolarHBondContact NE2-OD1 2.95Å; H101-D606 IonicContact NE2-OD2 3.89Å; H101-D606 PolarHBondContact NE2-OD2 3.2Å |
| 102 | D | 97 | Very high | 96.2 | Very high | 67 Ų | 67 | 64.9 Ų | 64.9 | 36% | 0.358 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -70.3 | -25.7 | 172.5 | -64.5 | -35.6 | 0 | 0 | 0 | 112 | H99 E100 Y493 N494 | H99-D102 IonicContact CD2-OD2 2.83Å; H99-D102 WeakPolarHBondContact O-CB 3.44Å; H99-D102 PolarHBondContact O-N 3.16Å; H99-D102 VanDerWaalsContact O-N 3.15Å; E100-D102 PolarHBondContact O-N 2.89Å; D102-Y493 WeakPolarHBondContact O-CA 3.44Å; D102-Y493 WeakPolarHBondContact O-CB 3.43Å; D102-N494 PolarHBondContact O-N 3.45Å |
| 103 | T | 97.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -47.4 | -173.2 | -69.2 | 0 | 0 | 0 | 0 | 112.7 | I95 S97 E100 H101 W118 Y493 N494 | I95-T103 HydrophobicContact CB-CG2 3.53Å; I95-T103 HydrophobicContact CD1-CG2 4.12Å; I95-T103 HydrophobicContact CG1-CG2 4.44Å; I95-T103 HydrophobicContact CG2-CG2 3.74Å; I95-T103 WeakPolarHBondContact CG2-OG1 3.37Å; S97-T103 WeakPolarHBondContact CB-OG1 3.06Å; S97-T103 PolarHBondContact OG-OG1 2.86Å; E100-T103 PolarHBondContact O-N 2.8Å; H101-T103 PolarHBondContact O-N 2.79Å; T103-W118 HydrophobicContact CG2-CB 3.95Å; T103-Y493 CarbonylContact O-C 3.56Å; T103-N494 WeakPolarHBondContact O-CA 3.44Å; T103-N494 PolarHBondContact O-N 3.23Å; T103-N494 VanDerWaalsContact O-N 3.13Å |
| 104 | V | 97 | Very high | 95.9 | Very high | 15 Ų | 15 | 65.3 Ų | 65.3 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -122.5 | 150.9 | -178.1 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | E100 H101 W118 N494 | E100-V104 HydrophobicContact CG-CG2 3.49Å; E100-V104 VanDerWaalsContact CG-CG2 3.49Å; E100-V104 PolarHBondContact O-N 2.86Å; H101-V104 WeakPolarHBondContact CA-O 3.44Å; V104-W118 HydrophobicContact CG2-CB 4.4Å; V104-N494 PolarHBondContact O-ND2 2.83Å |
| 105 | P | 97.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 62.1 Ų | 62.1 | 5% | 0.045 | 33% | 0.333 | C | S | . | . | trans | -65.2 | 166.1 | 175.2 | -18.5 | 31.8 | 0 | 0 | 0 | 114 | V107 L115 N494 F495 Q602 V603 D606 | P105-V107 VanDerWaalsContact C-N 3.25Å; P105-V107 PolarHBondContact O-N 2.77Å; P105-L115 HydrophobicContact CG-CD1 4.39Å; P105-N494 WeakPolarHBondContact CA-ND2 3.29Å; P105-F495 HydrophobicContact CG-CB 4.04Å; P105-Q602 WeakPolarHBondContact CB-O 3.15Å; P105-V603 HydrophobicContact CB-CG1 4.22Å; P105-V603 HydrophobicContact CG-CG1 4.35Å; P105-D606 VanDerWaalsContact CA-OD2 3.27Å; P105-D606 WeakPolarHBondContact CA-OD2 3Å; P105-D606 HydrophobicContact CB-CB 4.46Å | ||
| 106 | D | 92.9 | Very high | 95.5 | Very high | 76 Ų | 76 | 62.9 Ų | 62.9 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | trans | -73 | 76.9 | 169.8 | -164 | 6.6 | 0 | 0 | 0 | 111.4 | G604 K605 D606 | D106-G604 WeakPolarHBondContact O-CA 3.33Å; D106-K605 HydrophobicContact CB-CD 4.21Å; D106-K605 HydrophobicContact CB-CG 4.07Å; D106-K605 VanDerWaalsContact OD2-CD 3.27Å; D106-K605 WeakPolarHBondContact OD2-CD 3.18Å; D106-K605 WeakPolarHBondContact OD2-CE 3.46Å; D106-K605 IonicContact OD2-NZ 3.74Å; D106-K605 PolarHBondContact OD2-NZ 3.34Å; D106-D606 PolarHBondContact N-OD2 3.2Å | ||
| 107 | V | 94.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 66.2 Ų | 66.2 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 137.9 | -178.3 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | P105 V111 E601 | P105-V107 VanDerWaalsContact C-N 3.25Å; P105-V107 PolarHBondContact O-N 2.77Å; V107-V111 HydrophobicContact CG1-CB 3.79Å; V107-V111 HydrophobicContact CG1-CG1 3.87Å; V107-V111 WeakPolarHBondContact CG1-O 3.29Å; V107-E601 WeakPolarHBondContact CG1-O 3.5Å |
| 108 | A | 95 | Very high | 95.5 | Very high | 36 Ų | 36 | 68.1 Ų | 68.1 | 30% | 0.298 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -57 | 143.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G110 V111 E601 | A108-G110 PolarHBondContact O-N 2.79Å; A108-V111 HydrophobicContact CB-CG2 4.08Å; A108-V111 WeakPolarHBondContact O-CB 3.32Å; A108-V111 PolarHBondContact O-N 2.83Å; A108-E601 HydrophobicContact CB-CB 4.41Å; A108-E601 HydrophobicContact CB-CG 4.45Å; A108-E601 PolarHBondContact N-O 3.12Å |
| 109 | R | 93.7 | Very high | 95.6 | Very high | 255 Ų | 255 | 63.1 Ų | 63.1 | 96% | 0.962 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 125.1 | -177.4 | -175.4 | -179.8 | 179.1 | -177.5 | 0.3 | 111.6 | V111 | R109-V111 VanDerWaalsContact C-N 3.3Š|
| 110 | G | 94.2 | Very high | 95.7 | Very high | 86 Ų | 86 | 58.9 Ų | 58.9 | 89% | 0.887 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | -6.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A108 | A108-G110 PolarHBondContact O-N 2.79Š|
| 111 | V | 94.8 | Very high | 95.7 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 25% | 0.248 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 136.9 | 173.3 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | V107 A108 R109 E601 | V107-V111 HydrophobicContact CG1-CB 3.79Å; V107-V111 HydrophobicContact CG1-CG1 3.87Å; V107-V111 WeakPolarHBondContact CG1-O 3.29Å; A108-V111 HydrophobicContact CB-CG2 4.08Å; A108-V111 WeakPolarHBondContact O-CB 3.32Å; A108-V111 PolarHBondContact O-N 2.83Å; R109-V111 VanDerWaalsContact C-N 3.3Å; V111-E601 HydrophobicContact CG1-CB 4.21Å; V111-E601 HydrophobicContact CG2-CB 4.05Å; V111-E601 HydrophobicContact CG2-CG 4.06Å |
| 112 | K | 93.3 | Very high | 95.7 | Very high | 156 Ų | 156 | 54.2 Ų | 54.2 | 68% | 0.678 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 121.3 | 172.2 | -177 | 179.9 | 179.2 | -179.7 | 0 | 109.2 | Q602 | K112-Q602 PolarHBondContact O-NE2 2.62Š|
| 113 | G | 93.8 | Very high | 95.8 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 134.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 114 | V | 94 | Very high | 95.8 | Very high | 56 Ų | 56 | 55.4 Ų | 55.4 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | trans | -123.2 | 1 | 178.3 | -53.7 | 0 | 0 | 0 | 0 | 113.9 | G116 R488 Y598 Q602 | V114-G116 PolarHBondContact O-N 2.61Å; V114-R488 WeakPolarHBondContact O-CG 3.42Å; V114-Y598 HydrophobicContact CG2-CE2 4.17Å; V114-Q602 HydrophobicContact CG2-CG 4.44Å | ||
| 115 | L | 95.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -99.1 | 49.4 | -177.3 | -67.3 | 170 | 0 | 0 | 0 | 112 | P105 P484 R488 F495 Q602 V603 | P105-L115 HydrophobicContact CG-CD1 4.39Å; L115-P484 HydrophobicContact CD2-CG 3.6Å; L115-R488 HydrophobicContact CD2-CG 4.21Å; L115-F495 HydrophobicContact CB-CB 4.25Å; L115-F495 HydrophobicContact CD1-CB 4.09Å; L115-F495 HydrophobicContact CD1-CD1 3.63Å; L115-F495 HydrophobicContact CD1-CE1 4.41Å; L115-F495 HydrophobicContact CD1-CG 4.06Å; L115-F495 HydrophobicContact CD2-CD1 4.3Å; L115-F495 HydrophobicContact CD2-CG 4.28Å; L115-Q602 HydrophobicContact CD1-CB 3.84Å; L115-V603 HydrophobicContact CD1-CG2 3.87Å |
| 116 | G | 94.3 | Very high | 95.8 | Very high | 23 Ų | 23 | 60.9 Ų | 60.9 | 24% | 0.237 | 35% | 0.349 | C | S | . | . | trans | 109.3 | 174.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | V114 | V114-G116 PolarHBondContact O-N 2.61Š| ||
| 117 | R | 96.6 | Very high | 96.1 | Very high | 72 Ų | 72 | 60.2 Ų | 60.2 | 27% | 0.272 | 34% | 0.344 | S | S | . | . | trans | -140.4 | 132.1 | 177.3 | -69.7 | -176 | 162.4 | -143.3 | 8.3 | 109.6 | S91 W94 I95 | S91-R117 VanDerWaalsContact CA-CZ 3.46Å; S91-R117 VanDerWaalsContact O-CZ 3.29Å; S91-R117 PolarHBondContact O-NH1 3.31Å; W94-R117 HydrophobicContact CD2-CB 4.23Å; W94-R117 HydrophobicContact CE3-CB 3.63Å; W94-R117 HydrophobicContact CZ3-CB 3.95Å; I95-R117 PolarHBondContact N-O 3.44Å | ||
| 118 | W | 97.9 | Very high | 96.2 | Very high | 60 Ų | 60 | 59.7 Ų | 59.7 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 142.2 | 177.9 | 175.1 | 74.2 | 0 | 0 | 0 | 111.4 | W94 I95 S97 E100 T103 V104 | W94-W118 VanDerWaalsContact CZ3-O 3.27Å; W94-W118 WeakPolarHBondContact CZ3-O 3.03Å; I95-W118 WeakPolarHBondContact O-CA 3.36Å; S97-W118 PolarHBondContact O-NE1 2.74Å; S97-W118 PolarHBondContact OG-NE1 3.27Å; S97-W118 VanDerWaalsContact OG-NE1 3.14Å; E100-W118 HydrophobicContact CB-CD2 3.56Å; E100-W118 HydrophobicContact CB-CE3 3.61Å; E100-W118 HydrophobicContact CB-CG 3.99Å; E100-W118 HydrophobicContact CB-CH2 4.3Å; E100-W118 HydrophobicContact CB-CZ2 4.27Å; E100-W118 HydrophobicContact CB-CZ3 3.99Å; E100-W118 HydrophobicContact CG-CB 3.93Å; E100-W118 HydrophobicContact CG-CD2 3.77Å; E100-W118 HydrophobicContact CG-CE3 3.65Å; E100-W118 HydrophobicContact CG-CG 3.91Å; E100-W118 HydrophobicContact CG-CZ3 4.38Å; T103-W118 HydrophobicContact CG2-CB 3.95Å; V104-W118 HydrophobicContact CG2-CB 4.4Å |
| 119 | I | 98.2 | Very high | 96.3 | Very high | 15 Ų | 15 | 64.4 Ų | 64.4 | 8% | 0.077 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 136.8 | 168 | -171.1 | 169 | 0 | 0 | 0 | 108.5 | W94 I95 C96 D123 L124 E127 | W94-I119 HydrophobicContact CB-CB 4.11Å; W94-I119 HydrophobicContact CB-CG2 3.71Å; W94-I119 HydrophobicContact CD2-CB 4.3Å; W94-I119 HydrophobicContact CE3-CB 3.99Å; W94-I119 HydrophobicContact CG-CB 4.38Å; W94-I119 HydrophobicContact CG-CG2 4.42Å; I95-I119 PolarHBondContact O-N 3.3Å; C96-I119 WeakPolarHBondContact CA-O 3.44Å; C96-I119 HydrophobicContact CB-CG2 3.86Å; I119-D123 HydrophobicContact CD1-CB 4.18Å; I119-D123 HydrophobicContact CG1-CB 3.79Å; I119-L124 HydrophobicContact CD1-CB 4.08Å; I119-L124 HydrophobicContact CD1-CD1 4.44Å; I119-L124 HydrophobicContact CG1-CB 4.27Å; I119-L124 HydrophobicContact CG2-CB 4.17Å; I119-E127 HydrophobicContact CD1-CG 4.06Å |
| 120 | S | 98.1 | Very high | 96.4 | Very high | 23 Ų | 23 | 56.3 Ų | 56.3 | 16% | 0.161 | 33% | 0.329 | C | S | . | . | trans | -68.5 | 153.9 | 177.9 | 82.2 | 0 | 0 | 0 | 0 | 110.9 | G122 D123 L124 | S120-G122 PolarHBondContact O-N 3.08Å; S120-D123 WeakPolarHBondContact CB-OD2 3.49Å; S120-D123 PolarHBondContact O-N 2.85Å; S120-D123 WeakPolarHBondContact OG-CB 3.45Å; S120-D123 PolarHBondContact OG-N 2.88Å; S120-D123 PolarHBondContact OG-OD2 3.05Å; S120-L124 PolarHBondContact O-N 2.78Å | ||
| 121 | P | 97.3 | Very high | 96.6 | Very high | 30 Ų | 30 | 53.7 Ų | 53.7 | 20% | 0.195 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.5 | -31.5 | 175.5 | -24.2 | 33.8 | 0 | 0 | 0 | 113.9 | M1 S97 D125 | M1-P121 HydrophobicContact CE-CB 3.34Å; M1-P121 HydrophobicContact CE-CG 4.39Å; M1-P121 HydrophobicContact SD-CB 3.67Å; M1-P121 HydrophobicContact SD-CG 4.46Å; S97-P121 WeakPolarHBondContact O-CD 3.37Å; P121-D125 WeakPolarHBondContact O-CB 3.49Å; P121-D125 PolarHBondContact O-N 3.22Å |
| 122 | G | 97.5 | Very high | 96.8 | Very high | 47 Ų | 47 | 51.9 Ų | 51.9 | 49% | 0.485 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.3 | -47.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S120 D125 V126 | S120-G122 PolarHBondContact O-N 3.08Å; G122-D125 WeakPolarHBondContact O-CB 3.49Å; G122-D125 PolarHBondContact O-N 3.3Å; G122-V126 PolarHBondContact O-N 3.34Å |
| 123 | D | 98.2 | Very high | 97 | Very high | 91 Ų | 91 | 48.2 Ų | 48.2 | 49% | 0.487 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 179.3 | -61.1 | -40.2 | 0 | 0 | 0 | 111.1 | I119 S120 D125 V126 E127 | I119-D123 HydrophobicContact CD1-CB 4.18Å; I119-D123 HydrophobicContact CG1-CB 3.79Å; S120-D123 WeakPolarHBondContact CB-OD2 3.49Å; S120-D123 PolarHBondContact O-N 2.85Å; S120-D123 WeakPolarHBondContact OG-CB 3.45Å; S120-D123 PolarHBondContact OG-N 2.88Å; S120-D123 PolarHBondContact OG-OD2 3.05Å; D123-D125 VanDerWaalsContact C-N 3.26Å; D123-D125 PolarHBondContact O-N 2.92Å; D123-V126 WeakPolarHBondContact O-CB 3.3Å; D123-V126 PolarHBondContact O-N 2.7Å; D123-V126 VanDerWaalsContact O-N 3.13Å; D123-E127 WeakPolarHBondContact O-CG 3.39Å; D123-E127 PolarHBondContact O-N 2.96Å |
| 124 | L | 98 | Very high | 97.2 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.5 | -37.5 | 175.2 | 179.6 | 59.6 | 0 | 0 | 0 | 111.9 | C96 I119 S120 V126 E127 I128 S223 V225 | C96-L124 HydrophobicContact CB-CD2 3.59Å; I119-L124 HydrophobicContact CD1-CB 4.08Å; I119-L124 HydrophobicContact CD1-CD1 4.44Å; I119-L124 HydrophobicContact CG1-CB 4.27Å; I119-L124 HydrophobicContact CG2-CB 4.17Å; S120-L124 PolarHBondContact O-N 2.78Å; L124-V126 VanDerWaalsContact C-N 3.32Å; L124-V126 PolarHBondContact O-N 2.93Å; L124-E127 PolarHBondContact O-N 2.77Å; L124-I128 HydrophobicContact CD1-CD1 4.18Å; L124-I128 HydrophobicContact CD1-CG1 4.2Å; L124-I128 HydrophobicContact CD2-CD1 4.48Å; L124-I128 HydrophobicContact CG-CD1 3.91Å; L124-I128 HydrophobicContact CG-CG1 4.39Å; L124-I128 WeakPolarHBondContact O-CB 3.34Å; L124-I128 VanDerWaalsContact O-CG1 3.28Å; L124-I128 WeakPolarHBondContact O-CG1 3.26Å; L124-I128 PolarHBondContact O-N 3.02Å; L124-S223 WeakPolarHBondContact CD1-OG 3.4Å; L124-V225 HydrophobicContact CD2-CG2 3.64Å |
| 125 | D | 96.7 | Very high | 97.4 | Very high | 48 Ų | 48 | 44.6 Ų | 44.6 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.4 | -37.3 | 176.8 | -163.5 | 76 | 0 | 0 | 0 | 112 | M1 P121 G122 D123 I128 K129 | M1-D125 PolarHBondContact N-OD1 2.74Å; M1-D125 VanDerWaalsContact N-OD1 3.16Å; P121-D125 WeakPolarHBondContact O-CB 3.49Å; P121-D125 PolarHBondContact O-N 3.22Å; G122-D125 WeakPolarHBondContact O-CB 3.49Å; G122-D125 PolarHBondContact O-N 3.3Å; D123-D125 VanDerWaalsContact C-N 3.26Å; D123-D125 PolarHBondContact O-N 2.92Å; D125-I128 PolarHBondContact O-N 2.92Å; D125-K129 WeakPolarHBondContact O-CB 3.46Å; D125-K129 WeakPolarHBondContact O-CG 3.17Å; D125-K129 PolarHBondContact O-N 2.85Å; D125-K129 WeakPolarHBondContact OD2-CE 3.29Å; D125-K129 IonicContact OD2-NZ 3.22Å; D125-K129 PolarHBondContact OD2-NZ 2.77Å |
| 126 | V | 98.1 | Very high | 97.6 | Very high | 89 Ų | 89 | 44.4 Ų | 44.4 | 54% | 0.539 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.4 | -49.1 | 171.3 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | G122 D123 L124 I128 K129 D130 | G122-V126 PolarHBondContact O-N 3.34Å; D123-V126 WeakPolarHBondContact O-CB 3.3Å; D123-V126 PolarHBondContact O-N 2.7Å; D123-V126 VanDerWaalsContact O-N 3.13Å; L124-V126 VanDerWaalsContact C-N 3.32Å; L124-V126 PolarHBondContact O-N 2.93Å; V126-I128 VanDerWaalsContact C-N 3.28Å; V126-I128 PolarHBondContact O-N 3Å; V126-K129 PolarHBondContact O-N 2.89Å; V126-D130 PolarHBondContact O-N 2.97Å |
| 127 | E | 97.9 | Very high | 97.7 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 29% | 0.29 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.1 | -37 | 179.9 | -64 | -63.6 | 133.4 | 0 | 0 | 112.3 | I119 D123 L124 R131 I221 | I119-E127 HydrophobicContact CD1-CG 4.06Å; D123-E127 WeakPolarHBondContact O-CG 3.39Å; D123-E127 PolarHBondContact O-N 2.96Å; L124-E127 PolarHBondContact O-N 2.77Å; E127-R131 WeakPolarHBondContact O-CG 3.39Å; E127-R131 PolarHBondContact O-NH1 2.67Å; E127-R131 IonicContact OE2-CZ 3.05Å; E127-R131 IonicContact OE2-NH1 2.72Å; E127-R131 PolarHBondContact OE2-NH1 2.94Å; E127-R131 IonicContact OE2-NH2 3.25Å; E127-R131 PolarHBondContact OE2-NH2 2.88Å; E127-I221 HydrophobicContact CB-CD1 3.86Å; E127-I221 HydrophobicContact CG-CD1 3.89Å |
| 128 | I | 96.7 | Very high | 97.7 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 176.3 | -72.4 | 168.9 | 0 | 0 | 0 | 110.8 | W35 L124 D125 V126 D130 R131 Y132 M232 | W35-I128 HydrophobicContact CH2-CG2 4.32Å; L124-I128 HydrophobicContact CD1-CD1 4.18Å; L124-I128 HydrophobicContact CD1-CG1 4.2Å; L124-I128 HydrophobicContact CD2-CD1 4.48Å; L124-I128 HydrophobicContact CG-CD1 3.91Å; L124-I128 HydrophobicContact CG-CG1 4.39Å; L124-I128 WeakPolarHBondContact O-CB 3.34Å; L124-I128 VanDerWaalsContact O-CG1 3.28Å; L124-I128 WeakPolarHBondContact O-CG1 3.26Å; L124-I128 PolarHBondContact O-N 3.02Å; D125-I128 PolarHBondContact O-N 2.92Å; V126-I128 VanDerWaalsContact C-N 3.28Å; V126-I128 PolarHBondContact O-N 3Å; I128-D130 VanDerWaalsContact C-N 3.29Å; I128-D130 PolarHBondContact O-N 3.18Å; I128-R131 PolarHBondContact O-N 2.89Å; I128-R131 VanDerWaalsContact O-N 3.15Å; I128-Y132 HydrophobicContact CB-CD2 4.23Å; I128-Y132 HydrophobicContact CG1-CD2 4.32Å; I128-Y132 HydrophobicContact CG1-CE2 4.28Å; I128-Y132 HydrophobicContact CG2-CD2 3.88Å; I128-Y132 HydrophobicContact CG2-CG 4.49Å; I128-Y132 PolarHBondContact O-N 3.4Å; I128-M232 HydrophobicContact CD1-CE 4.49Å; I128-M232 HydrophobicContact CD1-CG 4.25Å; I128-M232 HydrophobicContact CG1-CE 4.48Å |
| 129 | K | 97.1 | Very high | 97.7 | Very high | 136 Ų | 136 | 45.6 Ų | 45.6 | 59% | 0.591 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64 | -31.4 | 179.9 | -77.1 | 168.3 | 173.7 | 162.4 | 0 | 113.1 | D125 V126 R131 P133 | D125-K129 WeakPolarHBondContact O-CB 3.46Å; D125-K129 WeakPolarHBondContact O-CG 3.17Å; D125-K129 PolarHBondContact O-N 2.85Å; D125-K129 WeakPolarHBondContact OD2-CE 3.29Å; D125-K129 IonicContact OD2-NZ 3.22Å; D125-K129 PolarHBondContact OD2-NZ 2.77Å; V126-K129 PolarHBondContact O-N 2.89Å; K129-R131 VanDerWaalsContact C-N 3.3Å; K129-R131 PolarHBondContact O-N 2.99Å; K129-P133 WeakPolarHBondContact O-CD 3.39Å; K129-P133 WeakPolarHBondContact O-CG 3.28Å |
| 130 | D | 97.6 | Very high | 97.7 | Very high | 85 Ų | 85 | 45.9 Ų | 45.9 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -73.3 | -18.8 | 175.8 | 175.8 | 63.3 | 0 | 0 | 0 | 113.8 | V126 I128 K219 | V126-D130 PolarHBondContact O-N 2.97Å; I128-D130 VanDerWaalsContact C-N 3.29Å; I128-D130 PolarHBondContact O-N 3.18Å; D130-K219 PolarHBondContact O-NZ 2.66Å; D130-K219 IonicContact OD1-NZ 2.67Å; D130-K219 PolarHBondContact OD1-NZ 2.69Å; D130-K219 WeakPolarHBondContact OD2-CE 3.4Å; D130-K219 IonicContact OD2-NZ 3.95Å; D130-K219 PolarHBondContact OD2-NZ 2.97Å |
| 131 | R | 98 | Very high | 97.8 | Very high | 30 Ų | 30 | 44.8 Ų | 44.8 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -116.9 | -48.8 | -167.3 | -76 | 173.3 | -175.1 | 73.4 | -4.5 | 115.4 | E127 I128 K129 C135 K219 F234 | E127-R131 WeakPolarHBondContact O-CG 3.39Å; E127-R131 PolarHBondContact O-NH1 2.67Å; E127-R131 IonicContact OE2-CZ 3.05Å; E127-R131 IonicContact OE2-NH1 2.72Å; E127-R131 PolarHBondContact OE2-NH1 2.94Å; E127-R131 IonicContact OE2-NH2 3.25Å; E127-R131 PolarHBondContact OE2-NH2 2.88Å; I128-R131 PolarHBondContact O-N 2.89Å; I128-R131 VanDerWaalsContact O-N 3.15Å; K129-R131 VanDerWaalsContact C-N 3.3Å; K129-R131 PolarHBondContact O-N 2.99Å; R131-C135 WeakPolarHBondContact O-CB 3.37Å; R131-K219 WeakPolarHBondContact CD-O 3.44Å; R131-K219 HydrophobicContact CG-CB 4.32Å; R131-K219 HydrophobicContact CG-CD 4Å; R131-K219 PolarHBondContact NE-O 3.18Å; R131-F234 HydrophobicContact CB-CD1 4Å; R131-F234 HydrophobicContact CB-CD2 3.88Å; R131-F234 HydrophobicContact CB-CE1 3.95Å; R131-F234 HydrophobicContact CB-CE2 3.81Å; R131-F234 HydrophobicContact CB-CG 3.96Å; R131-F234 HydrophobicContact CB-CZ 3.83Å; R131-F234 HydrophobicContact CG-CD1 3.85Å; R131-F234 HydrophobicContact CG-CE1 3.85Å; R131-F234 HydrophobicContact CG-CG 4.23Å; R131-F234 HydrophobicContact CG-CZ 4.22Å; R131-F234 WeakPolarHBondContact O-CE2 3.31Å; R131-F234 VanDerWaalsContact O-CZ 3.29Å; R131-F234 WeakPolarHBondContact O-CZ 3.4Å |
| 132 | Y | 98.2 | Very high | 97.8 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -82.9 | -33 | -166.7 | -74.5 | -87 | 0 | 0 | 0 | 116 | W35 I128 G134 C135 V196 M232 S233 F234 | W35-Y132 HydrophobicContact CE3-CD1 4.45Å; W35-Y132 AromaticContact CZ3-CD1 3.89Å; W35-Y132 HydrophobicContact CZ3-CD1 3.89Å; W35-Y132 AromaticContact CZ3-CG 3.91Å; W35-Y132 HydrophobicContact CZ3-CG 3.91Å; I128-Y132 HydrophobicContact CB-CD2 4.23Å; I128-Y132 HydrophobicContact CG1-CD2 4.32Å; I128-Y132 HydrophobicContact CG1-CE2 4.28Å; I128-Y132 HydrophobicContact CG2-CD2 3.88Å; I128-Y132 HydrophobicContact CG2-CG 4.49Å; I128-Y132 PolarHBondContact O-N 3.4Å; Y132-G134 PolarHBondContact O-N 3.41Å; Y132-G134 VanDerWaalsContact O-N 3.07Å; Y132-C135 WeakPolarHBondContact O-CB 3.43Å; Y132-C135 PolarHBondContact O-N 3.35Å; Y132-C135 PolarHBondContact O-SG 3.15Å; Y132-V196 HydrophobicContact CD1-CG1 4.15Å; Y132-V196 HydrophobicContact CE1-CG1 3.66Å; Y132-M232 HydrophobicContact CD1-CE 4.15Å; Y132-M232 HydrophobicContact CD2-CE 4.01Å; Y132-M232 HydrophobicContact CE1-CE 3.66Å; Y132-M232 HydrophobicContact CE2-CE 3.46Å; Y132-M232 VanDerWaalsContact CE2-CE 3.46Å; Y132-M232 HydrophobicContact CG-CE 4.31Å; Y132-S233 PolarHBondContact OH-N 3.08Å; Y132-S233 VanDerWaalsContact OH-N 3.15Å; Y132-S233 PolarHBondContact OH-O 3.17Å; Y132-F234 HydrophobicContact CD1-CD2 4.27Å; Y132-F234 HydrophobicContact CD2-CD2 4.47Å; Y132-F234 AromaticContact CE1-CD2 3.98Å; Y132-F234 HydrophobicContact CE1-CD2 3.98Å; Y132-F234 HydrophobicContact CE2-CB 4.29Å; Y132-F234 HydrophobicContact CE2-CD2 4.24Å; Y132-F234 AromaticContact CZ-CD2 3.98Å |
| 133 | P | 97.8 | Very high | 97.9 | Very high | 80 Ų | 80 | 41.4 Ų | 41.4 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 118.6 | 177.6 | -29 | 37.6 | 0 | 0 | 0 | 112 | I38 K129 C135 | I38-P133 WeakPolarHBondContact O-CA 3.08Å; K129-P133 WeakPolarHBondContact O-CD 3.39Å; K129-P133 WeakPolarHBondContact O-CG 3.28Å; P133-C135 PolarHBondContact O-N 2.99Å |
| 134 | G | 97.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 37 Ų | 37 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 9.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | I38 C39 Y132 M136 E137 P202 | I38-G134 PolarHBondContact O-N 2.88Å; C39-G134 CarbonylContact O-C 3.15Å; C39-G134 VanDerWaalsContact O-C 3.29Å; C39-G134 WeakPolarHBondContact O-CA 3.4Å; Y132-G134 PolarHBondContact O-N 3.41Å; Y132-G134 VanDerWaalsContact O-N 3.07Å; G134-M136 PolarHBondContact O-N 2.85Å; G134-M136 VanDerWaalsContact O-N 3.08Å; G134-E137 WeakPolarHBondContact O-CB 3.42Å; G134-E137 VanDerWaalsContact O-CG 3.3Å; G134-E137 WeakPolarHBondContact O-CG 3.23Å; G134-E137 PolarHBondContact O-N 2.61Å; G134-E137 VanDerWaalsContact O-N 3.08Å; G134-P202 WeakPolarHBondContact O-CB 3.49Å |
| 135 | C | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -15.2 | -171.7 | 75.3 | 0 | 0 | 0 | 0 | 114.9 | C39 R131 Y132 P133 S198 P202 F234 | C39-C135 PolarHBondContact O-N 3.36Å; R131-C135 WeakPolarHBondContact O-CB 3.37Å; Y132-C135 WeakPolarHBondContact O-CB 3.43Å; Y132-C135 PolarHBondContact O-N 3.35Å; Y132-C135 PolarHBondContact O-SG 3.15Å; P133-C135 PolarHBondContact O-N 2.99Å; C135-S198 PolarHBondContact SG-OG 3.08Å; C135-S198 VanDerWaalsContact SG-OG 3.38Å; C135-P202 WeakPolarHBondContact O-CD 3.05Å; C135-F234 HydrophobicContact CB-CE2 3.62Å; C135-F234 HydrophobicContact CB-CZ 4.19Å |
| 136 | M | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 13.5 | 177.3 | -59.8 | -175.4 | 176.3 | 0 | 0 | 112.7 | C39 P41 G134 G138 R139 L141 D164 H197 | C39-M136 HydrophobicContact CB-CB 3.99Å; C39-M136 HydrophobicContact CB-CG 3.76Å; C39-M136 HydrophobicContact CB-SD 3.82Å; C39-M136 CarbonylContact O-C 3.2Å; C39-M136 WeakPolarHBondContact O-CA 3.37Å; C39-M136 WeakPolarHBondContact O-CB 3.33Å; C39-M136 PolarHBondContact O-N 3.2Å; P41-M136 WeakPolarHBondContact CA-O 3.39Å; P41-M136 HydrophobicContact CB-CB 4.07Å; G134-M136 PolarHBondContact O-N 2.85Å; G134-M136 VanDerWaalsContact O-N 3.08Å; M136-G138 PolarHBondContact O-N 3.19Å; M136-R139 HydrophobicContact CB-CB 4.45Å; M136-R139 WeakPolarHBondContact O-CA 3.33Å; M136-R139 WeakPolarHBondContact O-CB 3.3Å; M136-R139 PolarHBondContact O-N 2.7Å; M136-L141 HydrophobicContact SD-CB 3.92Å; M136-L141 HydrophobicContact SD-CD1 3.77Å; M136-L141 HydrophobicContact SD-CG 3.93Å; M136-D164 HydrophobicContact CE-CB 3.91Å; M136-D164 HydrophobicContact CG-CB 3.81Å; M136-D164 HydrophobicContact SD-CB 3.94Å; M136-H197 WeakPolarHBondContact CE-O 3.34Å |
| 137 | E | 97.8 | Very high | 98.1 | Very high | 82 Ų | 82 | 30.3 Ų | 30.3 | 38% | 0.383 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 128.4 | 175 | -76.8 | 175.1 | -173 | 0 | 0 | 111.3 | K40 G134 R139 P202 T203 S204 | K40-E137 HydrophobicContact CB-CG 3.86Å; K40-E137 WeakPolarHBondContact O-CA 3.34Å; G134-E137 WeakPolarHBondContact O-CB 3.42Å; G134-E137 VanDerWaalsContact O-CG 3.3Å; G134-E137 WeakPolarHBondContact O-CG 3.23Å; G134-E137 PolarHBondContact O-N 2.61Å; G134-E137 VanDerWaalsContact O-N 3.08Å; E137-R139 PolarHBondContact O-N 2.79Å; E137-P202 HydrophobicContact CB-CB 3.91Å; E137-P202 WeakPolarHBondContact O-CA 3.35Å; E137-T203 PolarHBondContact O-N 2.94Å; E137-T203 PolarHBondContact O-OG1 3.07Å; E137-S204 PolarHBondContact OE2-OG 2.73Å |
| 138 | G | 97.1 | Very high | 98.1 | Very high | 41 Ų | 41 | 27.4 Ų | 27.4 | 42% | 0.423 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 6.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | M136 T203 | M136-G138 PolarHBondContact O-N 3.19Å; G138-T203 WeakPolarHBondContact CA-OG1 3.07Å; G138-T203 WeakPolarHBondContact O-CG2 3.32Å |
| 139 | R | 97.8 | Very high | 98.2 | Very high | 57 Ų | 57 | 26.3 Ų | 26.3 | 22% | 0.215 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -112.9 | 157.2 | 174.4 | -60.1 | -171.9 | 176.4 | -85.5 | -7.3 | 111.6 | P41 T42 M136 E137 D164 C201 T203 | P41-R139 CarbonylContact C-O 3.28Å; P41-R139 WeakPolarHBondContact CA-O 3.47Å; P41-R139 WeakPolarHBondContact CB-O 3.25Å; T42-R139 PolarHBondContact N-O 3.47Å; M136-R139 HydrophobicContact CB-CB 4.45Å; M136-R139 WeakPolarHBondContact O-CA 3.33Å; M136-R139 WeakPolarHBondContact O-CB 3.3Å; M136-R139 PolarHBondContact O-N 2.7Å; E137-R139 PolarHBondContact O-N 2.79Å; R139-D164 HydrophobicContact CB-CB 4.18Å; R139-C201 PolarHBondContact NE-O 3.01Å; R139-C201 PolarHBondContact NH2-O 3.34Å; R139-T203 HydrophobicContact CG-CG2 4.48Å |
| 140 | V | 98.3 | Very high | 98 | Very high | 20 Ų | 20 | 20.5 Ų | 20.5 | 12% | 0.121 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 134.4 | 173.1 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | I17 T42 G43 Y142 D164 | I17-V140 HydrophobicContact CD1-CB 4.47Å; I17-V140 HydrophobicContact CD1-CG1 4.07Å; I17-V140 HydrophobicContact CD1-CG2 3.61Å; T42-V140 HydrophobicContact CG2-CG2 4.31Å; G43-V140 WeakPolarHBondContact O-CA 3.49Å; V140-Y142 HydrophobicContact CB-CD2 4.47Å; V140-Y142 HydrophobicContact CB-CE2 3.83Å; V140-Y142 HydrophobicContact CG1-CD1 4.46Å; V140-Y142 HydrophobicContact CG1-CD2 4.23Å; V140-Y142 HydrophobicContact CG1-CE1 4.11Å; V140-Y142 HydrophobicContact CG1-CE2 3.87Å; V140-D164 WeakPolarHBondContact O-CA 3.25Å |
| 141 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 114.6 | 168.6 | -178 | 158.4 | 0 | 0 | 0 | 108.6 | V36 P41 G43 V44 Y45 M136 V143 I162 | V36-L141 HydrophobicContact CG2-CD1 3.91Å; P41-L141 HydrophobicContact CB-CB 3.61Å; P41-L141 HydrophobicContact CG-CB 3.68Å; P41-L141 HydrophobicContact CG-CD1 4.06Å; G43-L141 PolarHBondContact O-N 2.86Å; V44-L141 CarbonylContact C-O 3.57Å; V44-L141 WeakPolarHBondContact CA-O 3.46Å; V44-L141 HydrophobicContact CG1-CD2 4.41Å; Y45-L141 PolarHBondContact N-O 3.37Å; M136-L141 HydrophobicContact SD-CB 3.92Å; M136-L141 HydrophobicContact SD-CD1 3.77Å; M136-L141 HydrophobicContact SD-CG 3.93Å; L141-V143 HydrophobicContact CD2-CG2 3.56Å; L141-I162 HydrophobicContact CD1-CB 4.4Å; L141-I162 HydrophobicContact CD1-CD1 4.31Å; L141-I162 HydrophobicContact CD2-CB 3.97Å; L141-I162 HydrophobicContact CD2-CG2 3.89Å; L141-I162 HydrophobicContact CG-CB 4.21Å |
| 142 | Y | 98.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 20.4 Ų | 20.4 | 2% | 0.024 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.9 | 174.9 | -64.3 | -87.7 | 0 | 0 | 0 | 109.7 | Y45 L57 V140 I162 T163 I166 V169 | Y45-Y142 AromaticContact CD1-CD1 3.66Å; Y45-Y142 HydrophobicContact CD1-CD1 3.66Å; Y45-Y142 AromaticContact CD1-CE1 3.88Å; Y45-Y142 HydrophobicContact CD1-CE1 3.88Å; Y45-Y142 AromaticContact CD2-CE1 4Å; Y45-Y142 HydrophobicContact CD2-CE1 4Å; Y45-Y142 HydrophobicContact CE1-CD1 4.41Å; Y45-Y142 HydrophobicContact CE1-CE1 4.41Å; Y45-Y142 AromaticContact CG-CD1 3.71Å; Y45-Y142 HydrophobicContact CG-CD1 3.71Å; Y45-Y142 AromaticContact CG-CE1 3.64Å; Y45-Y142 HydrophobicContact CG-CE1 3.64Å; Y45-Y142 CarbonylContact O-C 3.59Å; Y45-Y142 VanDerWaalsContact O-CA 3.31Å; Y45-Y142 WeakPolarHBondContact O-CA 3.49Å; L57-Y142 HydrophobicContact CD2-CE1 3.82Å; V140-Y142 HydrophobicContact CB-CD2 4.47Å; V140-Y142 HydrophobicContact CB-CE2 3.83Å; V140-Y142 HydrophobicContact CG1-CD1 4.46Å; V140-Y142 HydrophobicContact CG1-CD2 4.23Å; V140-Y142 HydrophobicContact CG1-CE1 4.11Å; V140-Y142 HydrophobicContact CG1-CE2 3.87Å; Y142-I162 VanDerWaalsContact O-CA 3.26Å; Y142-I162 WeakPolarHBondContact O-CA 3.34Å; Y142-T163 PolarHBondContact N-O 3.44Å; Y142-T163 PolarHBondContact O-N 3.35Å; Y142-I166 HydrophobicContact CE1-CG1 4.41Å; Y142-I166 HydrophobicContact CE2-CG1 3.69Å; Y142-I166 WeakPolarHBondContact OH-CD1 3.28Å; Y142-I166 VanDerWaalsContact OH-CG1 3.28Å; Y142-I166 WeakPolarHBondContact OH-CG1 3.28Å; Y142-V169 HydrophobicContact CD1-CG2 3.92Å; Y142-V169 HydrophobicContact CD2-CG2 4.24Å; Y142-V169 HydrophobicContact CG-CG2 3.64Å |
| 143 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 110.6 | 176.5 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | M24 V32 V44 Y45 I46 C47 L141 P145 I160 I162 W183 | M24-V143 HydrophobicContact SD-CG1 4.34Å; V32-V143 HydrophobicContact CG1-CG2 3.83Å; V32-V143 HydrophobicContact CG2-CG1 3.78Å; V32-V143 HydrophobicContact CG2-CG2 3.92Å; V44-V143 HydrophobicContact CG1-CG2 3.84Å; Y45-V143 PolarHBondContact O-N 2.85Å; I46-V143 HydrophobicContact CG1-CB 4.38Å; I46-V143 HydrophobicContact CG1-CG2 4.41Å; C47-V143 WeakPolarHBondContact CB-O 3.38Å; C47-V143 PolarHBondContact N-O 2.99Å; L141-V143 HydrophobicContact CD2-CG2 3.56Å; V143-P145 VanDerWaalsContact O-CD 3.23Å; V143-P145 WeakPolarHBondContact O-CD 3.27Å; V143-I160 HydrophobicContact CG1-CG2 3.67Å; V143-I162 HydrophobicContact CG2-CG2 4.26Å; V143-W183 HydrophobicContact CG1-CH2 4.04Å; V143-W183 HydrophobicContact CG1-CZ2 4.49Å |
| 144 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 101.7 | -176 | -60.9 | 164.6 | 0 | 0 | 0 | 109.3 | F146 I160 E161 T163 V168 V169 M172 M178 | I144-F146 HydrophobicContact CG2-CB 4.26Å; I144-F146 HydrophobicContact CG2-CD1 4.14Å; I144-I160 WeakPolarHBondContact O-CA 3.42Å; I144-E161 HydrophobicContact CB-CB 4.17Å; I144-E161 WeakPolarHBondContact CB-O 3.46Å; I144-E161 HydrophobicContact CD1-CB 4.44Å; I144-E161 PolarHBondContact N-O 3.22Å; I144-E161 PolarHBondContact O-N 3.41Å; I144-T163 HydrophobicContact CD1-CG2 3.61Å; I144-T163 HydrophobicContact CG1-CG2 4.48Å; I144-V168 HydrophobicContact CD1-CG1 4.46Å; I144-V169 HydrophobicContact CD1-CB 4.37Å; I144-V169 HydrophobicContact CD1-CG2 3.92Å; I144-V169 HydrophobicContact CG1-CG2 4.21Å; I144-M172 HydrophobicContact CD1-CB 4.21Å; I144-M172 HydrophobicContact CD1-CG 4.25Å; I144-M172 HydrophobicContact CG2-CB 4.21Å; I144-M172 HydrophobicContact CG2-CE 4.38Å; I144-M178 HydrophobicContact CB-SD 4.11Å; I144-M178 HydrophobicContact CG1-SD 4.15Å; I144-M178 HydrophobicContact CG2-CG 3.9Å; I144-M178 HydrophobicContact CG2-SD 3.41Å; I144-M178 WeakPolarHBondContact CG2-SD 3.44Å |
| 145 | P | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 115.9 | 168.3 | 31.4 | -33 | 0 | 0 | 0 | 110.3 | C47 V143 M178 H179 V182 W183 | C47-P145 WeakPolarHBondContact O-CD 3.38Å; V143-P145 VanDerWaalsContact O-CD 3.23Å; V143-P145 WeakPolarHBondContact O-CD 3.27Å; P145-M178 WeakPolarHBondContact O-CA 3.13Å; P145-M178 WeakPolarHBondContact O-CG 3.26Å; P145-H179 PolarHBondContact O-N 2.9Å; P145-V182 HydrophobicContact CB-CB 4.13Å; P145-V182 HydrophobicContact CB-CG1 4.08Å; P145-W183 HydrophobicContact CB-CD2 4.09Å; P145-W183 HydrophobicContact CB-CE3 4.36Å; P145-W183 HydrophobicContact CB-CH2 3.77Å; P145-W183 HydrophobicContact CB-CZ2 3.45Å; P145-W183 VanDerWaalsContact CB-CZ2 3.45Å; P145-W183 HydrophobicContact CB-CZ3 4.21Å; P145-W183 HydrophobicContact CG-CH2 4.24Å; P145-W183 HydrophobicContact CG-CZ2 3.48Å; P145-W183 VanDerWaalsContact CG-CZ2 3.48Å |
| 146 | F | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 151.3 | -176.3 | 70.4 | -84.4 | 0 | 0 | 0 | 113.8 | I144 M148 V158 G159 E161 M172 T176 R177 F249 | I144-F146 HydrophobicContact CG2-CB 4.26Å; I144-F146 HydrophobicContact CG2-CD1 4.14Å; F146-M148 HydrophobicContact CD2-CG 4.09Å; F146-M148 HydrophobicContact CD2-SD 3.82Å; F146-M148 HydrophobicContact CE2-CG 3.77Å; F146-M148 HydrophobicContact CE2-SD 3.75Å; F146-V158 WeakPolarHBondContact O-CA 3.35Å; F146-G159 WeakPolarHBondContact CD1-O 3.45Å; F146-G159 VanDerWaalsContact CE1-C 3.48Å; F146-G159 PolarHBondContact N-O 2.73Å; F146-G159 PolarHBondContact O-N 3.02Å; F146-E161 HydrophobicContact CD1-CB 4.31Å; F146-E161 HydrophobicContact CE1-CB 3.85Å; F146-M172 HydrophobicContact CB-CE 4.38Å; F146-M172 HydrophobicContact CD1-CE 3.73Å; F146-M172 HydrophobicContact CD2-CE 3.99Å; F146-M172 HydrophobicContact CE1-CE 3.93Å; F146-M172 HydrophobicContact CE2-CE 4.16Å; F146-M172 HydrophobicContact CG-CE 3.77Å; F146-M172 HydrophobicContact CZ-CE 4.14Å; F146-T176 WeakPolarHBondContact CB-OG1 3.27Å; F146-T176 HydrophobicContact CD2-CG2 3.96Å; F146-T176 HydrophobicContact CG-CG2 4.46Å; F146-R177 WeakPolarHBondContact CA-O 3.12Å; F146-F249 AromaticContact CE2-CD1 3.69Å; F146-F249 HydrophobicContact CE2-CD1 3.69Å; F146-F249 AromaticContact CE2-CE1 4Å; F146-F249 HydrophobicContact CE2-CE1 4Å; F146-F249 AromaticContact CZ-CD1 3.87Å; F146-F249 HydrophobicContact CZ-CD1 3.87Å; F146-F249 HydrophobicContact CZ-CE1 4.3Å |
| 147 | S | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.8 | 169.3 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | G149 R177 | S147-G149 PolarHBondContact OG-O 3.34Å; S147-R177 PolarHBondContact N-O 3.36Å; S147-R177 PolarHBondContact O-N 3.4Å |
| 148 | M | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 113.7 | 163.6 | -61.8 | -51.6 | -61.3 | 0 | 0 | 107.9 | F146 S156 K157 T176 G245 F249 A250 W317 P331 E332 | F146-M148 HydrophobicContact CD2-CG 4.09Å; F146-M148 HydrophobicContact CD2-SD 3.82Å; F146-M148 HydrophobicContact CE2-CG 3.77Å; F146-M148 HydrophobicContact CE2-SD 3.75Å; M148-S156 VanDerWaalsContact O-CA 3.22Å; M148-S156 WeakPolarHBondContact O-CA 3.18Å; M148-S156 WeakPolarHBondContact O-CB 3.34Å; M148-K157 PolarHBondContact N-O 3.02Å; M148-K157 PolarHBondContact O-N 3.2Å; M148-K157 VanDerWaalsContact O-N 3.09Å; M148-T176 HydrophobicContact SD-CG2 3.64Å; M148-G245 WeakPolarHBondContact CE-O 3.48Å; M148-F249 HydrophobicContact CB-CE1 4.41Å; M148-F249 HydrophobicContact CG-CD1 3.7Å; M148-F249 HydrophobicContact CG-CE1 3.7Å; M148-F249 HydrophobicContact CG-CG 4.42Å; M148-F249 HydrophobicContact CG-CZ 4.41Å; M148-A250 HydrophobicContact CE-CB 3.83Å; M148-W317 HydrophobicContact CB-CH2 3.43Å; M148-W317 VanDerWaalsContact CB-CH2 3.43Å; M148-W317 HydrophobicContact CB-CZ2 4.09Å; M148-W317 HydrophobicContact CB-CZ3 4.04Å; M148-W317 HydrophobicContact CG-CH2 4.35Å; M148-W317 WeakPolarHBondContact O-CZ3 3.46Å; M148-P331 CarbonylContact C-O 3.45Å; M148-P331 WeakPolarHBondContact CA-O 3.27Å; M148-P331 HydrophobicContact CB-CB 4.03Å; M148-P331 HydrophobicContact CE-CB 3.95Å; M148-E332 HydrophobicContact CE-CG 4.22Å |
| 149 | G | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 88.5 | 167.8 | -167 | 0 | 0 | 0 | 0 | 0 | 112.6 | S147 I151 P331 | S147-G149 PolarHBondContact OG-O 3.34Å; G149-I151 PolarHBondContact O-N 2.96Å; G149-P331 PolarHBondContact N-O 3.48Å |
| 150 | P | 94 | Very high | 96.1 | Very high | 14 Ų | 14 | 14.4 Ų | 14.4 | 9% | 0.091 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -53.2 | 132.9 | 178.5 | -24.6 | 34 | 0 | 0 | 0 | 111.1 | G152 S153 S156 E426 | P150-G152 PolarHBondContact O-N 2.93Å; P150-G152 VanDerWaalsContact O-N 3.15Å; P150-S153 VanDerWaalsContact O-CB 3.27Å; P150-S153 WeakPolarHBondContact O-CB 3.22Å; P150-S153 PolarHBondContact O-N 3.19Å; P150-S156 VanDerWaalsContact O-CB 3.26Å; P150-S156 WeakPolarHBondContact O-CB 3.25Å; P150-S156 PolarHBondContact O-OG 3.18Å; P150-E426 HydrophobicContact CG-CB 3.98Å; P150-E426 WeakPolarHBondContact CG-O 3.38Å |
| 151 | I | 94.7 | Very high | 96.1 | Very high | 62 Ų | 62 | 13.4 Ų | 13.4 | 32% | 0.318 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 122.7 | -176.3 | -60.8 | 174.7 | 0 | 0 | 0 | 109.2 | G149 R177 H179 D181 V182 V185 | G149-I151 PolarHBondContact O-N 2.96Å; I151-R177 HydrophobicContact CD1-CB 4.06Å; I151-R177 HydrophobicContact CG1-CB 3.95Å; I151-H179 HydrophobicContact CD1-CB 3.64Å; I151-D181 HydrophobicContact CG2-CB 4.3Å; I151-V182 HydrophobicContact CD1-CG2 4.24Å; I151-V185 HydrophobicContact CG2-CG2 4Å |
| 152 | G | 87.9 | Confident | 96.1 | Very high | 50 Ų | 50 | 13.4 Ų | 13.4 | 52% | 0.515 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -4.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | P150 | P150-G152 PolarHBondContact O-N 2.93Å; P150-G152 VanDerWaalsContact O-N 3.15Å |
| 153 | S | 89.6 | Confident | 96.1 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | trans | -56.1 | 141.8 | 171 | 163.8 | 0 | 0 | 0 | 0 | 110.5 | P150 L155 S156 P428 | P150-S153 VanDerWaalsContact O-CB 3.27Å; P150-S153 WeakPolarHBondContact O-CB 3.22Å; P150-S153 PolarHBondContact O-N 3.19Å; S153-L155 PolarHBondContact O-N 2.87Å; S153-L155 PolarHBondContact OG-N 3.22Å; S153-L155 VanDerWaalsContact OG-N 3.1Å; S153-S156 PolarHBondContact N-OG 2.8Å; S153-S156 WeakPolarHBondContact O-CB 3.42Å; S153-S156 PolarHBondContact O-N 3.44Å; S153-S156 PolarHBondContact O-OG 3.03Å; S153-P428 PolarHBondContact OG-O 3.22Å | ||
| 154 | P | 88.4 | Confident | 96.1 | Very high | 87 Ų | 87 | 13.5 Ų | 13.5 | 57% | 0.565 | 9% | 0.088 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.4 | 172.1 | -25.1 | 34.7 | 0 | 0 | 0 | 113.7 | ||
| 155 | L | 90.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 14.3 Ų | 14.3 | 12% | 0.115 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -16.1 | 177.7 | -60.8 | 175.6 | 0 | 0 | 0 | 112.6 | S153 W317 R319 I329 | S153-L155 PolarHBondContact O-N 2.87Å; S153-L155 PolarHBondContact OG-N 3.22Å; S153-L155 VanDerWaalsContact OG-N 3.1Å; L155-W317 VanDerWaalsContact O-CZ3 3.29Å; L155-W317 WeakPolarHBondContact O-CZ3 3.49Å; L155-R319 HydrophobicContact CD2-CB 3.8Å; L155-R319 HydrophobicContact CD2-CG 4.44Å; L155-I329 HydrophobicContact CB-CD1 3.58Å; L155-I329 HydrophobicContact CB-CG1 4.02Å; L155-I329 HydrophobicContact CD1-CG1 4.14Å; L155-I329 HydrophobicContact CD1-CG2 3.74Å |
| 156 | S | 94.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -68.7 | 148.6 | -179.9 | 68.7 | 0 | 0 | 0 | 0 | 112.7 | M148 P150 S153 | M148-S156 VanDerWaalsContact O-CA 3.22Å; M148-S156 WeakPolarHBondContact O-CA 3.18Å; M148-S156 WeakPolarHBondContact O-CB 3.34Å; P150-S156 VanDerWaalsContact O-CB 3.26Å; P150-S156 WeakPolarHBondContact O-CB 3.25Å; P150-S156 PolarHBondContact O-OG 3.18Å; S153-S156 PolarHBondContact N-OG 2.8Å; S153-S156 WeakPolarHBondContact O-CB 3.42Å; S153-S156 PolarHBondContact O-N 3.44Å; S153-S156 PolarHBondContact O-OG 3.03Å | ||
| 157 | K | 97.7 | Very high | 96.1 | Very high | 33 Ų | 33 | 15.4 Ų | 15.4 | 14% | 0.143 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.5 | 171.7 | -53.8 | -86 | 177.4 | 157.7 | 0 | 108.2 | M148 F249 E261 W317 | M148-K157 PolarHBondContact N-O 3.02Å; M148-K157 PolarHBondContact O-N 3.2Å; M148-K157 VanDerWaalsContact O-N 3.09Å; K157-F249 HydrophobicContact CB-CE1 4.48Å; K157-F249 HydrophobicContact CB-CE2 4.03Å; K157-F249 HydrophobicContact CB-CZ 3.46Å; K157-F249 VanDerWaalsContact CB-CZ 3.46Å; K157-E261 IonicContact NZ-OE1 3.16Å; K157-E261 PolarHBondContact NZ-OE1 3.39Å; K157-E261 IonicContact NZ-OE2 3.33Å; K157-E261 PolarHBondContact NZ-OE2 2.95Å; K157-W317 HydrophobicContact CB-CH2 3.77Å; K157-W317 HydrophobicContact CB-CZ3 3.94Å; K157-W317 HydrophobicContact CG-CH2 3.79Å; K157-W317 HydrophobicContact CG-CZ3 3.69Å |
| 158 | V | 98.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 15.4 Ų | 15.4 | 4% | 0.036 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 151.8 | -175.7 | -66.8 | 0 | 0 | 0 | 0 | 111.1 | F146 V182 V185 I186 F192 V193 | F146-V158 WeakPolarHBondContact O-CA 3.35Å; V158-V182 HydrophobicContact CB-CG1 3.94Å; V158-V182 HydrophobicContact CG1-CG1 3.93Å; V158-V185 HydrophobicContact CG1-CB 3.99Å; V158-V185 HydrophobicContact CG1-CG1 3.67Å; V158-V185 HydrophobicContact CG2-CG1 4.11Å; V158-I186 HydrophobicContact CB-CG1 4.23Å; V158-I186 HydrophobicContact CG2-CD1 4.48Å; V158-I186 HydrophobicContact CG2-CG1 3.61Å; V158-F192 HydrophobicContact CG2-CB 4.09Å; V158-F192 WeakPolarHBondContact O-CA 3.32Å; V158-V193 PolarHBondContact O-N 3.09Å |
| 159 | G | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 162.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F146 V193 | F146-G159 WeakPolarHBondContact CD1-O 3.45Å; F146-G159 VanDerWaalsContact CE1-C 3.48Å; F146-G159 PolarHBondContact N-O 2.73Å; F146-G159 PolarHBondContact O-N 3.02Å; G159-V193 CarbonylContact C-O 3.58Å; G159-V193 WeakPolarHBondContact CA-O 3.41Å |
| 160 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.1 | 167.6 | -55.8 | 175 | 0 | 0 | 0 | 106.9 | A28 F31 V143 I144 W183 I186 F192 V193 C195 | A28-I160 HydrophobicContact CB-CD1 3.4Å; F31-I160 HydrophobicContact CD1-CB 4.19Å; F31-I160 HydrophobicContact CD1-CD1 4.39Å; F31-I160 HydrophobicContact CD1-CG2 4.07Å; F31-I160 HydrophobicContact CE1-CB 4Å; F31-I160 HydrophobicContact CE1-CG2 3.88Å; V143-I160 HydrophobicContact CG1-CG2 3.67Å; I144-I160 WeakPolarHBondContact O-CA 3.42Å; I160-W183 HydrophobicContact CD1-CH2 4.16Å; I160-W183 HydrophobicContact CD1-CZ3 3.6Å; I160-W183 HydrophobicContact CG1-CH2 4.38Å; I160-W183 HydrophobicContact CG1-CZ3 4.03Å; I160-I186 HydrophobicContact CD1-CD1 3.97Å; I160-I186 HydrophobicContact CG1-CD1 3.75Å; I160-F192 HydrophobicContact CB-CD2 4.11Å; I160-F192 HydrophobicContact CB-CE2 4.15Å; I160-F192 HydrophobicContact CD1-CD2 3.73Å; I160-F192 HydrophobicContact CD1-CE1 4.37Å; I160-F192 HydrophobicContact CD1-CE2 3.46Å; I160-F192 VanDerWaalsContact CD1-CE2 3.46Å; I160-F192 HydrophobicContact CD1-CG 4.3Å; I160-F192 HydrophobicContact CD1-CZ 3.82Å; I160-F192 HydrophobicContact CG1-CD2 3.7Å; I160-F192 HydrophobicContact CG1-CE2 3.89Å; I160-F192 HydrophobicContact CG1-CG 4.35Å; I160-V193 PolarHBondContact N-O 2.77Å; I160-C195 WeakPolarHBondContact O-CB 3.45Å; I160-C195 PolarHBondContact O-N 3.2Å |
| 161 | E | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.8 | 171.1 | -174.7 | 174.5 | 151.2 | 0 | 0 | 110.8 | I144 F146 V168 M172 C195 L244 | I144-E161 HydrophobicContact CB-CB 4.17Å; I144-E161 WeakPolarHBondContact CB-O 3.46Å; I144-E161 HydrophobicContact CD1-CB 4.44Å; I144-E161 PolarHBondContact N-O 3.22Å; I144-E161 PolarHBondContact O-N 3.41Å; F146-E161 HydrophobicContact CD1-CB 4.31Å; F146-E161 HydrophobicContact CE1-CB 3.85Å; E161-V168 WeakPolarHBondContact OE1-CG1 3.4Å; E161-M172 WeakPolarHBondContact OE2-CE 3.24Å; E161-C195 CarbonylContact C-O 3.52Å; E161-C195 WeakPolarHBondContact CA-O 3.49Å; E161-C195 HydrophobicContact CB-CB 3.74Å; E161-C195 HydrophobicContact CG-CB 3.9Å; E161-L244 HydrophobicContact CG-CD1 4.27Å; E161-L244 HydrophobicContact CG-CG 4.45Å; E161-L244 WeakPolarHBondContact OE2-CB 3.38Å; E161-L244 PolarHBondContact OE2-N 3.48Å; E161-L244 VanDerWaalsContact OE2-N 3.13Å |
| 162 | I | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.2 | 166.2 | 62.5 | 176.1 | 0 | 0 | 0 | 109.4 | F31 V32 W35 L141 Y142 V143 C195 V196 H197 | F31-I162 HydrophobicContact CE1-CG2 4.06Å; F31-I162 HydrophobicContact CZ-CD1 4.35Å; F31-I162 HydrophobicContact CZ-CG1 4.38Å; V32-I162 HydrophobicContact CG2-CG2 4.36Å; W35-I162 HydrophobicContact CB-CD1 3.13Å; W35-I162 HydrophobicContact CD2-CD1 4.2Å; W35-I162 HydrophobicContact CG-CD1 3.38Å; L141-I162 HydrophobicContact CD1-CB 4.4Å; L141-I162 HydrophobicContact CD1-CD1 4.31Å; L141-I162 HydrophobicContact CD2-CB 3.97Å; L141-I162 HydrophobicContact CD2-CG2 3.89Å; L141-I162 HydrophobicContact CG-CB 4.21Å; Y142-I162 VanDerWaalsContact O-CA 3.26Å; Y142-I162 WeakPolarHBondContact O-CA 3.34Å; V143-I162 HydrophobicContact CG2-CG2 4.26Å; I162-C195 PolarHBondContact N-O 2.91Å; I162-V196 HydrophobicContact CD1-CB 4.3Å; I162-V196 HydrophobicContact CD1-CG1 3.85Å; I162-V196 HydrophobicContact CD1-CG2 3.98Å; I162-V196 HydrophobicContact CG1-CB 4.13Å; I162-V196 HydrophobicContact CG1-CG1 3.96Å; I162-V196 HydrophobicContact CG1-CG2 4.08Å; I162-H197 PolarHBondContact O-N 2.7Å |
| 163 | T | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 151.5 | -175.8 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | Y142 I144 S165 V168 V169 H197 | Y142-T163 PolarHBondContact N-O 3.44Å; Y142-T163 PolarHBondContact O-N 3.35Å; I144-T163 HydrophobicContact CD1-CG2 3.61Å; I144-T163 HydrophobicContact CG1-CG2 4.48Å; T163-S165 PolarHBondContact OG1-N 2.97Å; T163-V168 HydrophobicContact CG2-CB 4.27Å; T163-V168 HydrophobicContact CG2-CG1 4.02Å; T163-V169 HydrophobicContact CG2-CG2 3.95Å; T163-H197 WeakPolarHBondContact CA-O 3.29Å; T163-H197 PolarHBondContact OG1-ND1 2.95Å |
| 164 | D | 98.7 | Very high | 97.5 | Very high | 8 Ų | 8 | 10.9 Ų | 10.9 | 4% | 0.043 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -101.3 | 12.2 | 171.7 | 56.6 | 7.7 | 0 | 0 | 0 | 113.1 | M136 R139 V140 S198 V199 | M136-D164 HydrophobicContact CE-CB 3.91Å; M136-D164 HydrophobicContact CG-CB 3.81Å; M136-D164 HydrophobicContact SD-CB 3.94Å; R139-D164 HydrophobicContact CB-CB 4.18Å; V140-D164 WeakPolarHBondContact O-CA 3.25Å; D164-S198 WeakPolarHBondContact OD1-CA 3.22Å; D164-S198 WeakPolarHBondContact OD2-CB 3.33Å; D164-S198 PolarHBondContact OD2-OG 3.08Å; D164-V199 WeakPolarHBondContact OD1-CG2 3.33Å; D164-V199 PolarHBondContact OD1-N 3.37Å; D164-V199 PolarHBondContact OD2-N 3.45Å |
| 165 | S | 98.6 | Very high | 98 | Very high | 17 Ų | 17 | 6.9 Ų | 6.9 | 12% | 0.119 | 4% | 0.035 | C | C | . | . | trans | -116.9 | 118.7 | -176.7 | 177.4 | 0 | 0 | 0 | 0 | 112.4 | T163 Y167 V168 V169 | T163-S165 PolarHBondContact OG1-N 2.97Å; S165-Y167 VanDerWaalsContact C-N 3.28Å; S165-Y167 PolarHBondContact O-N 3.13Å; S165-Y167 PolarHBondContact OG-N 2.77Å; S165-V168 WeakPolarHBondContact O-CB 3.43Å; S165-V168 PolarHBondContact O-N 2.94Å; S165-V168 PolarHBondContact OG-N 2.91Å; S165-V169 PolarHBondContact O-N 2.82Å | ||
| 166 | I | 98.5 | Very high | 98.4 | Very high | 13 Ų | 13 | 6 Ų | 6 | 7% | 0.067 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -64.6 | -34.6 | 173.7 | -61.2 | 168.9 | 0 | 0 | 0 | 111.1 | L57 K60 L61 Y142 V168 V169 L170 | L57-I166 HydrophobicContact CB-CG2 3.66Å; L57-I166 HydrophobicContact CD1-CG2 4.45Å; L57-I166 HydrophobicContact CD2-CG1 4.4Å; L57-I166 HydrophobicContact CD2-CG2 4.14Å; L57-I166 HydrophobicContact CG-CG2 4.29Å; L57-I166 WeakPolarHBondContact O-CG2 3.48Å; K60-I166 HydrophobicContact CB-CD1 4.38Å; K60-I166 HydrophobicContact CD-CD1 3.6Å; K60-I166 HydrophobicContact CG-CD1 3.88Å; L61-I166 HydrophobicContact CD1-CB 4.07Å; L61-I166 HydrophobicContact CD1-CG2 3.8Å; L61-I166 HydrophobicContact CD2-CB 3.84Å; L61-I166 HydrophobicContact CD2-CD1 4.25Å; L61-I166 HydrophobicContact CD2-CG2 4.21Å; L61-I166 HydrophobicContact CG-CB 3.88Å; L61-I166 HydrophobicContact CG-CG2 3.67Å; Y142-I166 HydrophobicContact CE1-CG1 4.41Å; Y142-I166 HydrophobicContact CE2-CG1 3.69Å; Y142-I166 WeakPolarHBondContact OH-CD1 3.28Å; Y142-I166 VanDerWaalsContact OH-CG1 3.28Å; Y142-I166 WeakPolarHBondContact OH-CG1 3.28Å; I166-V168 PolarHBondContact O-N 3.48Å; I166-V169 WeakPolarHBondContact O-CB 3.3Å; I166-V169 PolarHBondContact O-N 2.87Å; I166-V169 VanDerWaalsContact O-N 3.13Å; I166-L170 HydrophobicContact CG2-CD1 4.32Å; I166-L170 HydrophobicContact CG2-CG 4.26Å; I166-L170 WeakPolarHBondContact O-CG 3.46Å; I166-L170 PolarHBondContact O-N 3.27Å |
| 167 | Y | 98.6 | Very high | 98.5 | Very high | 9 Ų | 9 | 7.2 Ų | 7.2 | 4% | 0.035 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -57.9 | -41.8 | 176.5 | 168.2 | -91 | 0 | 0 | 0 | 111.1 | T79 S165 L170 C171 W213 I359 T361 | T79-Y167 HydrophobicContact CG2-CD2 4.05Å; T79-Y167 HydrophobicContact CG2-CE2 3.65Å; S165-Y167 VanDerWaalsContact C-N 3.28Å; S165-Y167 PolarHBondContact O-N 3.13Å; S165-Y167 PolarHBondContact OG-N 2.77Å; Y167-L170 PolarHBondContact O-N 3.03Å; Y167-C171 VanDerWaalsContact CZ-SG 3.56Å; Y167-C171 WeakPolarHBondContact O-CB 3.41Å; Y167-C171 PolarHBondContact O-N 3.13Å; Y167-C171 PolarHBondContact O-SG 3.04Å; Y167-C171 VanDerWaalsContact O-SG 3.39Å; Y167-W213 AromaticContact CD1-CH2 3.63Å; Y167-W213 HydrophobicContact CD1-CH2 3.63Å; Y167-W213 HydrophobicContact CD1-CZ3 4.06Å; Y167-W213 HydrophobicContact CD2-CH2 4.31Å; Y167-W213 HydrophobicContact CD2-CZ3 4.02Å; Y167-W213 AromaticContact CE1-CH2 3.62Å; Y167-W213 HydrophobicContact CE1-CH2 3.62Å; Y167-W213 HydrophobicContact CE1-CZ3 4.29Å; Y167-W213 HydrophobicContact CE2-CH2 4.28Å; Y167-W213 HydrophobicContact CE2-CZ3 4.24Å; Y167-W213 AromaticContact CG-CH2 3.99Å; Y167-W213 HydrophobicContact CG-CH2 3.99Å; Y167-W213 AromaticContact CG-CZ3 3.91Å; Y167-W213 HydrophobicContact CG-CZ3 3.91Å; Y167-W213 AromaticContact CZ-CH2 3.94Å; Y167-I359 HydrophobicContact CE2-CG2 3.97Å; Y167-T361 PolarHBondContact OH-OG1 3.49Å |
| 168 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | I144 E161 T163 S165 I166 L170 C171 M172 L243 | I144-V168 HydrophobicContact CD1-CG1 4.46Å; E161-V168 WeakPolarHBondContact OE1-CG1 3.4Å; T163-V168 HydrophobicContact CG2-CB 4.27Å; T163-V168 HydrophobicContact CG2-CG1 4.02Å; S165-V168 WeakPolarHBondContact O-CB 3.43Å; S165-V168 PolarHBondContact O-N 2.94Å; S165-V168 PolarHBondContact OG-N 2.91Å; I166-V168 PolarHBondContact O-N 3.48Å; V168-L170 PolarHBondContact O-N 3.39Å; V168-C171 PolarHBondContact O-N 3.37Å; V168-M172 HydrophobicContact CG1-CG 4.13Å; V168-M172 VanDerWaalsContact O-CB 3.32Å; V168-M172 WeakPolarHBondContact O-CB 3.38Å; V168-M172 VanDerWaalsContact O-CG 3.29Å; V168-M172 WeakPolarHBondContact O-CG 3.33Å; V168-M172 PolarHBondContact O-N 3.34Å; V168-L243 HydrophobicContact CG1-CD2 4.27Å |
| 169 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -56.2 | -50.2 | 175.4 | -178.9 | 0 | 0 | 0 | 0 | 111 | L57 Y142 I144 T163 S165 I166 C171 M172 I173 | L57-V169 HydrophobicContact CD1-CB 4.22Å; L57-V169 HydrophobicContact CD1-CG1 3.57Å; Y142-V169 HydrophobicContact CD1-CG2 3.92Å; Y142-V169 HydrophobicContact CD2-CG2 4.24Å; Y142-V169 HydrophobicContact CG-CG2 3.64Å; I144-V169 HydrophobicContact CD1-CB 4.37Å; I144-V169 HydrophobicContact CD1-CG2 3.92Å; I144-V169 HydrophobicContact CG1-CG2 4.21Å; T163-V169 HydrophobicContact CG2-CG2 3.95Å; S165-V169 PolarHBondContact O-N 2.82Å; I166-V169 WeakPolarHBondContact O-CB 3.3Å; I166-V169 PolarHBondContact O-N 2.87Å; I166-V169 VanDerWaalsContact O-N 3.13Å; V169-C171 VanDerWaalsContact C-N 3.35Å; V169-C171 PolarHBondContact O-N 3.15Å; V169-M172 PolarHBondContact O-N 2.59Å; V169-I173 HydrophobicContact CG1-CD1 4.11Å; V169-I173 VanDerWaalsContact O-CG1 3.32Å; V169-I173 WeakPolarHBondContact O-CG1 3.27Å; V169-I173 PolarHBondContact O-N 2.82Å |
| 170 | L | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | -178.9 | -66.5 | 178.6 | 0 | 0 | 0 | 112.8 | R54 L57 T58 L61 L67 I166 Y167 V168 I174 I359 | R54-L170 HydrophobicContact CG-CD2 4.04Å; L57-L170 HydrophobicContact CB-CD2 3.9Å; L57-L170 HydrophobicContact CB-CG 4.49Å; T58-L170 WeakPolarHBondContact OG1-CD2 3.39Å; L61-L170 HydrophobicContact CD1-CD1 3.75Å; L67-L170 HydrophobicContact CD2-CD1 4.24Å; I166-L170 HydrophobicContact CG2-CD1 4.32Å; I166-L170 HydrophobicContact CG2-CG 4.26Å; I166-L170 WeakPolarHBondContact O-CG 3.46Å; I166-L170 PolarHBondContact O-N 3.27Å; Y167-L170 PolarHBondContact O-N 3.03Å; V168-L170 PolarHBondContact O-N 3.39Å; L170-I174 WeakPolarHBondContact O-CG1 3.44Å; L170-I174 PolarHBondContact O-N 2.92Å; L170-I359 HydrophobicContact CB-CD1 3.7Å; L170-I359 HydrophobicContact CD1-CD1 4.27Å |
| 171 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -72.5 | -37 | 176.6 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | Y167 V168 V169 I173 I174 M175 L243 | Y167-C171 VanDerWaalsContact CZ-SG 3.56Å; Y167-C171 WeakPolarHBondContact O-CB 3.41Å; Y167-C171 PolarHBondContact O-N 3.13Å; Y167-C171 PolarHBondContact O-SG 3.04Å; Y167-C171 VanDerWaalsContact O-SG 3.39Å; V168-C171 PolarHBondContact O-N 3.37Å; V169-C171 VanDerWaalsContact C-N 3.35Å; V169-C171 PolarHBondContact O-N 3.15Å; C171-I173 VanDerWaalsContact C-N 3.34Å; C171-I174 PolarHBondContact O-N 3.12Å; C171-I174 VanDerWaalsContact O-N 3.1Å; C171-M175 WeakPolarHBondContact O-CB 3.5Å; C171-M175 WeakPolarHBondContact O-CG 3.29Å; C171-M175 PolarHBondContact O-N 3.39Å; C171-L243 HydrophobicContact CB-CD1 3.95Å; C171-L243 HydrophobicContact CB-CD2 3.4Å; C171-L243 HydrophobicContact CB-CG 4.32Å |
| 172 | M | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.6 | -34.7 | 176.1 | -76 | -67 | -72.9 | 0 | 0 | 112.1 | I144 F146 E161 V168 V169 I174 M175 T176 L243 | I144-M172 HydrophobicContact CD1-CB 4.21Å; I144-M172 HydrophobicContact CD1-CG 4.25Å; I144-M172 HydrophobicContact CG2-CB 4.21Å; I144-M172 HydrophobicContact CG2-CE 4.38Å; F146-M172 HydrophobicContact CB-CE 4.38Å; F146-M172 HydrophobicContact CD1-CE 3.73Å; F146-M172 HydrophobicContact CD2-CE 3.99Å; F146-M172 HydrophobicContact CE1-CE 3.93Å; F146-M172 HydrophobicContact CE2-CE 4.16Å; F146-M172 HydrophobicContact CG-CE 3.77Å; F146-M172 HydrophobicContact CZ-CE 4.14Å; E161-M172 WeakPolarHBondContact OE2-CE 3.24Å; V168-M172 HydrophobicContact CG1-CG 4.13Å; V168-M172 VanDerWaalsContact O-CB 3.32Å; V168-M172 WeakPolarHBondContact O-CB 3.38Å; V168-M172 VanDerWaalsContact O-CG 3.29Å; V168-M172 WeakPolarHBondContact O-CG 3.33Å; V168-M172 PolarHBondContact O-N 3.34Å; V169-M172 PolarHBondContact O-N 2.59Å; M172-I174 PolarHBondContact O-N 2.91Å; M172-M175 PolarHBondContact O-N 2.77Å; M172-T176 HydrophobicContact CE-CG2 3.61Å; M172-T176 PolarHBondContact O-N 3.45Å; M172-T176 PolarHBondContact O-OG1 3Å; M172-T176 HydrophobicContact SD-CG2 3.88Å; M172-L243 HydrophobicContact CG-CD2 4.06Å; M172-L243 HydrophobicContact SD-CB 4.08Å; M172-L243 HydrophobicContact SD-CD2 4.37Å |
| 173 | I | 98 | Very high | 98.1 | Very high | 28 Ų | 28 | 16.4 Ų | 16.4 | 14% | 0.144 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55.8 | -38.4 | 169.2 | -73.4 | 166.3 | 0 | 0 | 0 | 111.4 | R54 V169 C171 M178 | R54-I173 HydrophobicContact CB-CD1 4.33Å; V169-I173 HydrophobicContact CG1-CD1 4.11Å; V169-I173 VanDerWaalsContact O-CG1 3.32Å; V169-I173 WeakPolarHBondContact O-CG1 3.27Å; V169-I173 PolarHBondContact O-N 2.82Å; C171-I173 VanDerWaalsContact C-N 3.34Å; I173-M178 HydrophobicContact CD1-CE 3.71Å; I173-M178 HydrophobicContact CG1-CE 3.27Å; I173-M178 HydrophobicContact CG1-SD 3.9Å |
| 174 | I | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -80.5 | -44.6 | -179.1 | -65.3 | 170.6 | 0 | 0 | 0 | 111.3 | L170 C171 M172 A333 G334 I359 C413 P414 | L170-I174 WeakPolarHBondContact O-CG1 3.44Å; L170-I174 PolarHBondContact O-N 2.92Å; C171-I174 PolarHBondContact O-N 3.12Å; C171-I174 VanDerWaalsContact O-N 3.1Å; M172-I174 PolarHBondContact O-N 2.91Å; I174-A333 CarbonylContact O-C 3.57Å; I174-G334 WeakPolarHBondContact O-CA 3.33Å; I174-G334 PolarHBondContact O-N 2.69Å; I174-I359 HydrophobicContact CD1-CD1 4.22Å; I174-I359 HydrophobicContact CD1-CG1 4.4Å; I174-C413 WeakPolarHBondContact CG2-O 3.39Å; I174-P414 HydrophobicContact CG2-CG 4.29Å |
| 175 | M | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -86.2 | -16.2 | -168.7 | -67.3 | -55.6 | -56.3 | 0 | 0 | 114.2 | C171 M172 L243 K246 E332 A333 G334 F335 F336 | C171-M175 WeakPolarHBondContact O-CB 3.5Å; C171-M175 WeakPolarHBondContact O-CG 3.29Å; C171-M175 PolarHBondContact O-N 3.39Å; M172-M175 PolarHBondContact O-N 2.77Å; M175-L243 HydrophobicContact CG-CD1 4.23Å; M175-K246 HydrophobicContact CE-CD 4.3Å; M175-E332 HydrophobicContact CE-CB 4.42Å; M175-E332 WeakPolarHBondContact CE-OE1 3.44Å; M175-E332 WeakPolarHBondContact O-CA 3.36Å; M175-A333 PolarHBondContact O-N 2.89Å; M175-G334 WeakPolarHBondContact CE-O 3.39Å; M175-G334 VanDerWaalsContact SD-C 3.51Å; M175-F335 VanDerWaalsContact SD-C 3.59Å; M175-F336 HydrophobicContact CE-CB 3.82Å; M175-F336 HydrophobicContact SD-CB 3.91Å |
| 176 | T | 98.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.025 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -133.4 | 167.9 | -178.3 | 73 | 0 | 0 | 0 | 0 | 110.8 | F146 M148 M172 M178 | F146-T176 WeakPolarHBondContact CB-OG1 3.27Å; F146-T176 HydrophobicContact CD2-CG2 3.96Å; F146-T176 HydrophobicContact CG-CG2 4.46Å; M148-T176 HydrophobicContact SD-CG2 3.64Å; M172-T176 HydrophobicContact CE-CG2 3.61Å; M172-T176 PolarHBondContact O-N 3.45Å; M172-T176 PolarHBondContact O-OG1 3Å; M172-T176 HydrophobicContact SD-CG2 3.88Å; T176-M178 PolarHBondContact O-N 3.36Å |
| 177 | R | 98.3 | Very high | 97.6 | Very high | 25 Ų | 25 | 27.2 Ų | 27.2 | 9% | 0.094 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 90.5 | 167.7 | -70.7 | 89.3 | 180 | 161 | 2.7 | 108.8 | F146 S147 I151 P331 E332 A333 W425 E426 | F146-R177 WeakPolarHBondContact CA-O 3.12Å; S147-R177 PolarHBondContact N-O 3.36Å; S147-R177 PolarHBondContact O-N 3.4Å; I151-R177 HydrophobicContact CD1-CB 4.06Å; I151-R177 HydrophobicContact CG1-CB 3.95Å; R177-P331 PolarHBondContact NH1-O 2.88Å; R177-E332 PolarHBondContact NH1-O 3.37Å; R177-E332 PolarHBondContact NH2-O 3.23Å; R177-A333 HydrophobicContact CG-CB 4.43Å; R177-W425 VanDerWaalsContact NH2-CH2 3.29Å; R177-E426 IonicContact CZ-OE1 2.96Å; R177-E426 VanDerWaalsContact CZ-OE1 3.25Å; R177-E426 IonicContact NE-OE1 2.62Å; R177-E426 PolarHBondContact NE-OE1 3.19Å; R177-E426 IonicContact NH2-OE1 2.68Å; R177-E426 PolarHBondContact NH2-OE1 3.41Å |
| 178 | M | 98.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 6% | 0.064 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 111.1 | 172.2 | -167.7 | 176 | 89 | 0 | 0 | 109.5 | C47 E53 I144 P145 I173 T176 | C47-M178 HydrophobicContact CB-CE 3.55Å; C47-M178 HydrophobicContact CB-SD 3.77Å; E53-M178 WeakPolarHBondContact OE1-CE 3.39Å; I144-M178 HydrophobicContact CB-SD 4.11Å; I144-M178 HydrophobicContact CG1-SD 4.15Å; I144-M178 HydrophobicContact CG2-CG 3.9Å; I144-M178 HydrophobicContact CG2-SD 3.41Å; I144-M178 WeakPolarHBondContact CG2-SD 3.44Å; P145-M178 WeakPolarHBondContact O-CA 3.13Å; P145-M178 WeakPolarHBondContact O-CG 3.26Å; I173-M178 HydrophobicContact CD1-CE 3.71Å; I173-M178 HydrophobicContact CG1-CE 3.27Å; I173-M178 HydrophobicContact CG1-SD 3.9Å; T176-M178 PolarHBondContact O-N 3.36Å |
| 179 | H | 96.7 | Very high | 97.1 | Very high | 78 Ų | 78 | 35.7 Ų | 35.7 | 36% | 0.361 | 18% | 0.179 | S | C | . | . | trans | -158.1 | 148.8 | -173.5 | -165.6 | -104.6 | 0 | 0 | 0 | 112.3 | P145 I151 D181 V182 | P145-H179 PolarHBondContact O-N 2.9Å; I151-H179 HydrophobicContact CD1-CB 3.64Å; H179-D181 IonicContact CE1-OD2 2.83Å; H179-D181 PolarHBondContact CE1-OD2 2.77Å; H179-D181 WeakPolarHBondContact ND1-CB 3.29Å; H179-D181 PolarHBondContact ND1-N 3.37Å; H179-D181 VanDerWaalsContact ND1-N 3.19Å; H179-D181 IonicContact ND1-OD2 2.62Å; H179-D181 PolarHBondContact ND1-OD2 3.47Å; H179-D181 PolarHBondContact O-N 3.44Å; H179-D181 VanDerWaalsContact O-N 3.17Å; H179-V182 VanDerWaalsContact O-CB 3.28Å; H179-V182 WeakPolarHBondContact O-CB 3.16Å; H179-V182 VanDerWaalsContact O-CG2 3.28Å; H179-V182 WeakPolarHBondContact O-CG2 3.18Å; H179-V182 PolarHBondContact O-N 2.81Å; H179-V182 VanDerWaalsContact O-N 3.08Å | ||
| 180 | P | 95.6 | Very high | 96.7 | Very high | 53 Ų | 53 | 43.8 Ų | 43.8 | 34% | 0.344 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24 | 178.4 | -25.4 | 37.2 | 0 | 0 | 0 | 114.4 | D48 V182 W183 | D48-P180 HydrophobicContact CB-CG 4.27Å; D48-P180 WeakPolarHBondContact O-CD 3.17Å; P180-V182 PolarHBondContact O-N 2.72Å; P180-W183 VanDerWaalsContact O-CB 3.32Å; P180-W183 WeakPolarHBondContact O-CB 3.36Å; P180-W183 PolarHBondContact O-N 3.43Å; P180-W183 VanDerWaalsContact O-N 3.08Å |
| 181 | D | 96.5 | Very high | 96.4 | Very high | 56 Ų | 56 | 48.3 Ų | 48.3 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.2 | -18.3 | 176.3 | -72.3 | -31.2 | 0 | 0 | 0 | 113.5 | I151 H179 W183 K184 V185 | I151-D181 HydrophobicContact CG2-CB 4.3Å; H179-D181 IonicContact CE1-OD2 2.83Å; H179-D181 PolarHBondContact CE1-OD2 2.77Å; H179-D181 WeakPolarHBondContact ND1-CB 3.29Å; H179-D181 PolarHBondContact ND1-N 3.37Å; H179-D181 VanDerWaalsContact ND1-N 3.19Å; H179-D181 IonicContact ND1-OD2 2.62Å; H179-D181 PolarHBondContact ND1-OD2 3.47Å; H179-D181 PolarHBondContact O-N 3.44Å; H179-D181 VanDerWaalsContact O-N 3.17Å; D181-W183 PolarHBondContact O-N 3.06Å; D181-K184 WeakPolarHBondContact O-CB 3.12Å; D181-K184 PolarHBondContact O-N 3Å; D181-K184 WeakPolarHBondContact OD1-CE 3.36Å; D181-K184 IonicContact OD1-NZ 3.12Å; D181-K184 PolarHBondContact OD1-NZ 3.43Å; D181-V185 PolarHBondContact O-N 3.06Å |
| 182 | V | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.8 | -34.8 | 171.9 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | P145 I151 V158 H179 P180 K184 V185 I186 | P145-V182 HydrophobicContact CB-CB 4.13Å; P145-V182 HydrophobicContact CB-CG1 4.08Å; I151-V182 HydrophobicContact CD1-CG2 4.24Å; V158-V182 HydrophobicContact CB-CG1 3.94Å; V158-V182 HydrophobicContact CG1-CG1 3.93Å; H179-V182 VanDerWaalsContact O-CB 3.28Å; H179-V182 WeakPolarHBondContact O-CB 3.16Å; H179-V182 VanDerWaalsContact O-CG2 3.28Å; H179-V182 WeakPolarHBondContact O-CG2 3.18Å; H179-V182 PolarHBondContact O-N 2.81Å; H179-V182 VanDerWaalsContact O-N 3.08Å; P180-V182 PolarHBondContact O-N 2.72Å; V182-K184 VanDerWaalsContact C-N 3.27Å; V182-K184 PolarHBondContact O-N 2.89Å; V182-V185 PolarHBondContact O-N 3.13Å; V182-V185 VanDerWaalsContact O-N 3.12Å; V182-I186 HydrophobicContact CG1-CD1 3.95Å; V182-I186 HydrophobicContact CG1-CG1 4.28Å; V182-I186 WeakPolarHBondContact O-CG1 3.1Å; V182-I186 PolarHBondContact O-N 2.8Å |
| 183 | W | 97.4 | Very high | 96.3 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 12% | 0.121 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -37.4 | 175.9 | -60.3 | 125.4 | 0 | 0 | 0 | 112.6 | M24 P25 A28 I46 V143 P145 I160 P180 D181 I186 E187 | M24-W183 HydrophobicContact CB-CE3 4.36Å; M24-W183 HydrophobicContact CB-CZ3 4.32Å; M24-W183 HydrophobicContact CG-CD2 4.29Å; M24-W183 HydrophobicContact CG-CE3 4.31Å; M24-W183 HydrophobicContact CG-CH2 3.88Å; M24-W183 HydrophobicContact CG-CZ2 3.83Å; M24-W183 HydrophobicContact CG-CZ3 4.12Å; M24-W183 HydrophobicContact SD-CH2 3.31Å; M24-W183 WeakPolarHBondContact SD-CH2 3.34Å; M24-W183 HydrophobicContact SD-CZ2 3.61Å; M24-W183 HydrophobicContact SD-CZ3 3.91Å; P25-W183 HydrophobicContact CG-CB 4.45Å; P25-W183 HydrophobicContact CG-CE3 4.31Å; P25-W183 WeakPolarHBondContact CG-O 3.47Å; A28-W183 HydrophobicContact CB-CE3 4.33Å; A28-W183 HydrophobicContact CB-CZ3 3.7Å; I46-W183 HydrophobicContact CG2-CZ2 3.99Å; V143-W183 HydrophobicContact CG1-CH2 4.04Å; V143-W183 HydrophobicContact CG1-CZ2 4.49Å; P145-W183 HydrophobicContact CB-CD2 4.09Å; P145-W183 HydrophobicContact CB-CE3 4.36Å; P145-W183 HydrophobicContact CB-CH2 3.77Å; P145-W183 HydrophobicContact CB-CZ2 3.45Å; P145-W183 VanDerWaalsContact CB-CZ2 3.45Å; P145-W183 HydrophobicContact CB-CZ3 4.21Å; P145-W183 HydrophobicContact CG-CH2 4.24Å; P145-W183 HydrophobicContact CG-CZ2 3.48Å; P145-W183 VanDerWaalsContact CG-CZ2 3.48Å; I160-W183 HydrophobicContact CD1-CH2 4.16Å; I160-W183 HydrophobicContact CD1-CZ3 3.6Å; I160-W183 HydrophobicContact CG1-CH2 4.38Å; I160-W183 HydrophobicContact CG1-CZ3 4.03Å; P180-W183 VanDerWaalsContact O-CB 3.32Å; P180-W183 WeakPolarHBondContact O-CB 3.36Å; P180-W183 PolarHBondContact O-N 3.43Å; P180-W183 VanDerWaalsContact O-N 3.08Å; D181-W183 PolarHBondContact O-N 3.06Å; W183-I186 HydrophobicContact CE3-CD1 3.99Å; W183-I186 HydrophobicContact CZ3-CD1 4.13Å; W183-I186 PolarHBondContact O-N 3.25Å; W183-E187 WeakPolarHBondContact O-CB 3.45Å; W183-E187 PolarHBondContact O-N 3.43Å |
| 184 | K | 96.1 | Very high | 96.4 | Very high | 142 Ų | 142 | 49 Ų | 49 | 62% | 0.617 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -67.1 | -38.2 | 177 | -59.8 | 172.8 | -178 | 162.8 | 0 | 111.5 | D181 V182 S188 | D181-K184 WeakPolarHBondContact O-CB 3.12Å; D181-K184 PolarHBondContact O-N 3Å; D181-K184 WeakPolarHBondContact OD1-CE 3.36Å; D181-K184 IonicContact OD1-NZ 3.12Å; D181-K184 PolarHBondContact OD1-NZ 3.43Å; V182-K184 VanDerWaalsContact C-N 3.27Å; V182-K184 PolarHBondContact O-N 2.89Å; K184-S188 WeakPolarHBondContact O-CB 3.25Å; K184-S188 PolarHBondContact O-N 3.22Å; K184-S188 PolarHBondContact O-OG 3.42Å |
| 185 | V | 96.2 | Very high | 96.4 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -41.6 | 175.1 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | I151 V158 D181 V182 S188 K189 | I151-V185 HydrophobicContact CG2-CG2 4Å; V158-V185 HydrophobicContact CG1-CB 3.99Å; V158-V185 HydrophobicContact CG1-CG1 3.67Å; V158-V185 HydrophobicContact CG2-CG1 4.11Å; D181-V185 PolarHBondContact O-N 3.06Å; V182-V185 PolarHBondContact O-N 3.13Å; V182-V185 VanDerWaalsContact O-N 3.12Å; V185-S188 WeakPolarHBondContact CA-OG 3.26Å; V185-S188 PolarHBondContact O-N 3.42Å; V185-S188 PolarHBondContact O-OG 2.86Å; V185-K189 HydrophobicContact CG1-CD 4Å; V185-K189 HydrophobicContact CG1-CG 4.33Å; V185-K189 WeakPolarHBondContact O-CB 3.43Å; V185-K189 PolarHBondContact O-N 2.95Å |
| 186 | I | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.3 | -66.8 | 176 | 0 | 0 | 0 | 111.2 | P25 V158 I160 V182 W183 S188 K190 F192 | P25-I186 HydrophobicContact CB-CG2 3.97Å; P25-I186 HydrophobicContact CG-CB 4.12Å; P25-I186 HydrophobicContact CG-CG2 3.86Å; V158-I186 HydrophobicContact CB-CG1 4.23Å; V158-I186 HydrophobicContact CG2-CD1 4.48Å; V158-I186 HydrophobicContact CG2-CG1 3.61Å; I160-I186 HydrophobicContact CD1-CD1 3.97Å; I160-I186 HydrophobicContact CG1-CD1 3.75Å; V182-I186 HydrophobicContact CG1-CD1 3.95Å; V182-I186 HydrophobicContact CG1-CG1 4.28Å; V182-I186 WeakPolarHBondContact O-CG1 3.1Å; V182-I186 PolarHBondContact O-N 2.8Å; W183-I186 HydrophobicContact CE3-CD1 3.99Å; W183-I186 HydrophobicContact CZ3-CD1 4.13Å; W183-I186 PolarHBondContact O-N 3.25Å; I186-S188 PolarHBondContact O-N 3.25Å; I186-K190 VanDerWaalsContact O-CA 3.23Å; I186-K190 WeakPolarHBondContact O-CA 3.29Å; I186-K190 PolarHBondContact O-N 3.13Å; I186-F192 HydrophobicContact CD1-CB 4.13Å; I186-F192 HydrophobicContact CD1-CG 4.33Å; I186-F192 HydrophobicContact CG1-CB 4.05Å; I186-F192 HydrophobicContact CG2-CD1 3.69Å; I186-F192 HydrophobicContact CG2-CE1 4.21Å; I186-F192 HydrophobicContact CG2-CG 4.4Å |
| 187 | E | 95.4 | Very high | 96.4 | Very high | 108 Ų | 108 | 48.5 Ų | 48.5 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 178.7 | -170 | 63.3 | -148.5 | 0 | 0 | 111.5 | P25 W183 | P25-E187 WeakPolarHBondContact CA-OE2 3Å; P25-E187 WeakPolarHBondContact CB-OE2 3.23Å; P25-E187 HydrophobicContact CG-CB 4.08Å; P25-E187 WeakPolarHBondContact CG-OE2 3.37Å; W183-E187 WeakPolarHBondContact O-CB 3.45Å; W183-E187 PolarHBondContact O-N 3.43Å |
| 188 | S | 94.8 | Very high | 96.4 | Very high | 91 Ų | 91 | 47.3 Ų | 47.3 | 64% | 0.636 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -71.4 | -46.6 | -178.1 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | K184 V185 I186 | K184-S188 WeakPolarHBondContact O-CB 3.25Å; K184-S188 PolarHBondContact O-N 3.22Å; K184-S188 PolarHBondContact O-OG 3.42Å; V185-S188 WeakPolarHBondContact CA-OG 3.26Å; V185-S188 PolarHBondContact O-N 3.42Å; V185-S188 PolarHBondContact O-OG 2.86Å; I186-S188 PolarHBondContact O-N 3.25Å |
| 189 | K | 91.7 | Very high | 96.4 | Very high | 97 Ų | 97 | 46.9 Ų | 46.9 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -82.3 | -17.5 | -178.6 | -65.5 | -169.4 | 178.8 | -177.7 | 0 | 113.2 | V185 E191 | V185-K189 HydrophobicContact CG1-CD 4Å; V185-K189 HydrophobicContact CG1-CG 4.33Å; V185-K189 WeakPolarHBondContact O-CB 3.43Å; V185-K189 PolarHBondContact O-N 2.95Å; K189-E191 PolarHBondContact O-N 3.16Å |
| 190 | K | 91 | Very high | 96.5 | Very high | 169 Ų | 169 | 43.3 Ų | 43.3 | 74% | 0.735 | 21% | 0.212 | S | C | * | . | trans | 54.2 | 20.3 | -174.7 | -58.5 | -176.1 | 179.4 | 179.7 | 0 | 114.3 | I186 | I186-K190 VanDerWaalsContact O-CA 3.23Å; I186-K190 WeakPolarHBondContact O-CA 3.29Å; I186-K190 PolarHBondContact O-N 3.13Å | ||
| 191 | E | 92.1 | Very high | 96.6 | Very high | 97 Ų | 97 | 40.9 Ų | 40.9 | 45% | 0.453 | 20% | 0.196 | S | C | . | . | trans | -139.5 | 140 | -176 | -68.6 | -171 | 150 | 0 | 0 | 110.4 | K189 R229 | K189-E191 PolarHBondContact O-N 3.16Å; E191-R229 VanDerWaalsContact CD-NH2 3.29Å; E191-R229 IonicContact OE1-CZ 3.32Å; E191-R229 IonicContact OE1-NH1 2.92Å; E191-R229 IonicContact OE1-NH2 3.22Å; E191-R229 PolarHBondContact OE1-NH2 3.27Å; E191-R229 VanDerWaalsContact OE1-NH2 3.12Å; E191-R229 IonicContact OE2-CZ 2.65Å; E191-R229 IonicContact OE2-NH1 3.68Å; E191-R229 PolarHBondContact OE2-NH1 3.38Å; E191-R229 IonicContact OE2-NH2 3.92Å; E191-R229 PolarHBondContact OE2-NH2 3.42Å | ||
| 192 | F | 97.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | trans | -157.4 | 160.1 | 173.2 | 61.3 | -83.7 | 0 | 0 | 0 | 109.7 | F31 V158 I160 I186 R194 | F31-F192 HydrophobicContact CB-CE2 4.33Å; F31-F192 HydrophobicContact CB-CZ 4.02Å; F31-F192 HydrophobicContact CD1-CE2 4Å; F31-F192 HydrophobicContact CD1-CZ 4.49Å; F31-F192 HydrophobicContact CG-CE2 4.15Å; F31-F192 HydrophobicContact CG-CZ 4.34Å; V158-F192 HydrophobicContact CG2-CB 4.09Å; V158-F192 WeakPolarHBondContact O-CA 3.32Å; I160-F192 HydrophobicContact CB-CD2 4.11Å; I160-F192 HydrophobicContact CB-CE2 4.15Å; I160-F192 HydrophobicContact CD1-CD2 3.73Å; I160-F192 HydrophobicContact CD1-CE1 4.37Å; I160-F192 HydrophobicContact CD1-CE2 3.46Å; I160-F192 VanDerWaalsContact CD1-CE2 3.46Å; I160-F192 HydrophobicContact CD1-CG 4.3Å; I160-F192 HydrophobicContact CD1-CZ 3.82Å; I160-F192 HydrophobicContact CG1-CD2 3.7Å; I160-F192 HydrophobicContact CG1-CE2 3.89Å; I160-F192 HydrophobicContact CG1-CG 4.35Å; I186-F192 HydrophobicContact CD1-CB 4.13Å; I186-F192 HydrophobicContact CD1-CG 4.33Å; I186-F192 HydrophobicContact CG1-CB 4.05Å; I186-F192 HydrophobicContact CG2-CD1 3.69Å; I186-F192 HydrophobicContact CG2-CE1 4.21Å; I186-F192 HydrophobicContact CG2-CG 4.4Å; F192-R194 HydrophobicContact CD2-CG 4.08Å; F192-R194 HydrophobicContact CE2-CG 3.53Å; F192-R194 HydrophobicContact CZ-CG 4.19Å | ||
| 193 | V | 98.2 | Very high | 96.4 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 126.1 | 170.9 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | V158 G159 I160 R229 I231 F249 I253 | V158-V193 PolarHBondContact O-N 3.09Å; G159-V193 CarbonylContact C-O 3.58Å; G159-V193 WeakPolarHBondContact CA-O 3.41Å; I160-V193 PolarHBondContact N-O 2.77Å; V193-R229 CarbonylContact C-O 3.29Å; V193-R229 WeakPolarHBondContact CA-O 3.49Å; V193-R229 WeakPolarHBondContact CG1-O 3.41Å; V193-R229 HydrophobicContact CG2-CB 4.25Å; V193-I231 HydrophobicContact CG1-CD1 3.86Å; V193-I231 HydrophobicContact CG1-CG1 4.32Å; V193-F249 HydrophobicContact CB-CD1 4.03Å; V193-F249 HydrophobicContact CB-CD2 4.36Å; V193-F249 HydrophobicContact CB-CE1 3.78Å; V193-F249 HydrophobicContact CB-CE2 4.17Å; V193-F249 HydrophobicContact CB-CG 4.31Å; V193-F249 HydrophobicContact CB-CZ 3.85Å; V193-F249 HydrophobicContact CG1-CD1 4.22Å; V193-F249 HydrophobicContact CG1-CD2 4.32Å; V193-F249 HydrophobicContact CG1-CE1 4.46Å; V193-F249 HydrophobicContact CG1-CG 4.14Å; V193-F249 HydrophobicContact CG2-CD1 4.2Å; V193-F249 HydrophobicContact CG2-CD2 3.8Å; V193-F249 HydrophobicContact CG2-CE1 3.72Å; V193-F249 HydrophobicContact CG2-CE2 3.29Å; V193-F249 HydrophobicContact CG2-CG 4.25Å; V193-F249 HydrophobicContact CG2-CZ 3.22Å; V193-I253 HydrophobicContact CG1-CG2 4.37Å; V193-I253 HydrophobicContact CG2-CG2 4.15Å |
| 194 | R | 98.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 117.1 | 179.4 | -67.8 | 170.9 | -168.8 | 92.9 | 0.6 | 108.2 | F31 F192 E228 R229 L230 I231 | F31-R194 HydrophobicContact CD2-CB 4.04Å; F31-R194 HydrophobicContact CD2-CG 3.76Å; F31-R194 HydrophobicContact CE2-CB 3.53Å; F31-R194 HydrophobicContact CE2-CG 3.81Å; F31-R194 HydrophobicContact CG-CG 4.23Å; F31-R194 HydrophobicContact CZ-CB 3.83Å; F31-R194 HydrophobicContact CZ-CG 4.31Å; F192-R194 HydrophobicContact CD2-CG 4.08Å; F192-R194 HydrophobicContact CE2-CG 3.53Å; F192-R194 HydrophobicContact CZ-CG 4.19Å; R194-E228 PolarHBondContact NH1-O 3.42Å; R194-R229 PolarHBondContact N-O 3.25Å; R194-L230 HydrophobicContact CB-CB 4.46Å; R194-L230 HydrophobicContact CB-CD1 3.57Å; R194-L230 CarbonylContact O-C 3.56Å; R194-L230 WeakPolarHBondContact O-CA 3.04Å; R194-I231 PolarHBondContact O-N 3.06Å |
| 195 | C | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121.9 | -178.7 | -64.1 | 0 | 0 | 0 | 0 | 108.9 | I160 E161 I162 L244 | I160-C195 WeakPolarHBondContact O-CB 3.45Å; I160-C195 PolarHBondContact O-N 3.2Å; E161-C195 CarbonylContact C-O 3.52Å; E161-C195 WeakPolarHBondContact CA-O 3.49Å; E161-C195 HydrophobicContact CB-CB 3.74Å; E161-C195 HydrophobicContact CG-CB 3.9Å; I162-C195 PolarHBondContact N-O 2.91Å; C195-L244 HydrophobicContact CB-CB 3.87Å; C195-L244 HydrophobicContact CB-CD1 3.67Å; C195-L244 HydrophobicContact CB-CG 4.38Å |
| 196 | V | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 116 | -179.4 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | F31 W35 Y132 I162 L230 I231 M232 S233 | F31-V196 HydrophobicContact CE2-CG2 3.84Å; F31-V196 HydrophobicContact CZ-CG2 3.75Å; W35-V196 HydrophobicContact CD2-CG1 3.95Å; W35-V196 HydrophobicContact CD2-CG2 3.96Å; W35-V196 VanDerWaalsContact CE2-CG2 3.5Å; W35-V196 HydrophobicContact CE3-CG1 3.92Å; W35-V196 HydrophobicContact CG-CG2 4.21Å; W35-V196 HydrophobicContact CH2-CG1 4.44Å; W35-V196 HydrophobicContact CZ2-CG1 4.43Å; W35-V196 HydrophobicContact CZ2-CG2 3.89Å; W35-V196 HydrophobicContact CZ3-CG1 4.17Å; Y132-V196 HydrophobicContact CD1-CG1 4.15Å; Y132-V196 HydrophobicContact CE1-CG1 3.66Å; I162-V196 HydrophobicContact CD1-CB 4.3Å; I162-V196 HydrophobicContact CD1-CG1 3.85Å; I162-V196 HydrophobicContact CD1-CG2 3.98Å; I162-V196 HydrophobicContact CG1-CB 4.13Å; I162-V196 HydrophobicContact CG1-CG1 3.96Å; I162-V196 HydrophobicContact CG1-CG2 4.08Å; V196-L230 HydrophobicContact CG2-CD1 4.19Å; V196-I231 PolarHBondContact N-O 3.23Å; V196-M232 HydrophobicContact CB-CE 3.72Å; V196-M232 HydrophobicContact CB-SD 3.65Å; V196-M232 HydrophobicContact CG1-CE 3.72Å; V196-M232 HydrophobicContact CG1-SD 4.29Å; V196-M232 HydrophobicContact CG2-CE 4.2Å; V196-M232 HydrophobicContact CG2-SD 3.67Å; V196-S233 PolarHBondContact O-N 3.26Å |
| 197 | H | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 138.9 | -179.4 | 173.1 | -95.9 | 0 | 0 | 0 | 110.4 | M136 I162 T163 S233 S236 S242 L244 | M136-H197 WeakPolarHBondContact CE-O 3.34Å; I162-H197 PolarHBondContact O-N 2.7Å; T163-H197 WeakPolarHBondContact CA-O 3.29Å; T163-H197 PolarHBondContact OG1-ND1 2.95Å; H197-S233 VanDerWaalsContact CA-O 3.29Å; H197-S233 WeakPolarHBondContact CA-O 3.28Å; H197-S236 PolarHBondContact NE2-O 2.9Å; H197-S242 VanDerWaalsContact NE2-CB 3.33Å; H197-S242 WeakPolarHBondContact NE2-CB 3.5Å; H197-L244 HydrophobicContact CB-CD1 3.9Å; H197-L244 HydrophobicContact CB-CG 4.44Å |
| 198 | S | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 140.5 | 163.9 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | C135 D164 G200 S233 F234 G235 | C135-S198 PolarHBondContact SG-OG 3.08Å; C135-S198 VanDerWaalsContact SG-OG 3.38Å; D164-S198 WeakPolarHBondContact OD1-CA 3.22Å; D164-S198 WeakPolarHBondContact OD2-CB 3.33Å; D164-S198 PolarHBondContact OD2-OG 3.08Å; S198-G200 PolarHBondContact O-N 2.97Å; S198-G200 PolarHBondContact OG-N 3.49Å; S198-S233 PolarHBondContact N-O 2.93Å; S198-S233 VanDerWaalsContact N-O 3.12Å; S198-F234 CarbonylContact O-C 3.51Å; S198-F234 WeakPolarHBondContact O-CA 3.41Å; S198-G235 PolarHBondContact O-N 3.04Å |
| 199 | V | 98.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | trans | -68.1 | -13.3 | 170.2 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | D164 C201 P214 C215 N216 G235 | D164-V199 WeakPolarHBondContact OD1-CG2 3.33Å; D164-V199 PolarHBondContact OD1-N 3.37Å; D164-V199 PolarHBondContact OD2-N 3.45Å; V199-C201 HydrophobicContact CG2-CB 4.24Å; V199-P214 HydrophobicContact CB-CB 4.07Å; V199-P214 WeakPolarHBondContact CB-O 3.42Å; V199-P214 HydrophobicContact CG2-CB 3.69Å; V199-C215 CarbonylContact O-C 3.52Å; V199-N216 PolarHBondContact O-N 3.35Å; V199-G235 WeakPolarHBondContact O-CA 3.35Å | ||
| 200 | G | 98.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 73.3 | 31.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S198 N216 | S198-G200 PolarHBondContact O-N 2.97Å; S198-G200 PolarHBondContact OG-N 3.49Å; G200-N216 PolarHBondContact O-ND2 3.37Å |
| 201 | C | 97.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | trans | -132.3 | 65 | -175.2 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | R139 V199 I209 P214 C215 | R139-C201 PolarHBondContact NE-O 3.01Å; R139-C201 PolarHBondContact NH2-O 3.34Å; V199-C201 HydrophobicContact CG2-CB 4.24Å; C201-I209 HydrophobicContact CB-CD1 4.38Å; C201-P214 HydrophobicContact CB-CB 4.1Å; C201-C215 VanDerWaalsContact SG-C 3.52Å; C201-C215 PolarHBondContact SG-O 3.48Å | ||
| 202 | P | 97.3 | Very high | 95.6 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | trans | -54.4 | 154.3 | 175.3 | 25.5 | -34.2 | 0 | 0 | 0 | 110.8 | G134 C135 E137 S204 S205 | G134-P202 WeakPolarHBondContact O-CB 3.49Å; C135-P202 WeakPolarHBondContact O-CD 3.05Å; E137-P202 HydrophobicContact CB-CB 3.91Å; E137-P202 WeakPolarHBondContact O-CA 3.35Å; P202-S204 PolarHBondContact O-N 3.1Å; P202-S204 VanDerWaalsContact O-N 3.16Å; P202-S205 WeakPolarHBondContact O-CB 3.33Å; P202-S205 PolarHBondContact O-N 2.95Å | ||
| 203 | T | 92.7 | Very high | 95.6 | Very high | 93 Ų | 93 | 46.9 Ų | 46.9 | 57% | 0.571 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.8 | -177 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | E137 G138 R139 S205 | E137-T203 PolarHBondContact O-N 2.94Å; E137-T203 PolarHBondContact O-OG1 3.07Å; G138-T203 WeakPolarHBondContact CA-OG1 3.07Å; G138-T203 WeakPolarHBondContact O-CG2 3.32Å; R139-T203 HydrophobicContact CG-CG2 4.48Å; T203-S205 PolarHBondContact O-N 3.38Å |
| 204 | S | 90.2 | Very high | 95.5 | Very high | 65 Ų | 65 | 48.1 Ų | 48.1 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -14.1 | 170.7 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | E137 P202 | E137-S204 PolarHBondContact OE2-OG 2.73Å; P202-S204 PolarHBondContact O-N 3.1Å; P202-S204 VanDerWaalsContact O-N 3.16Å |
| 205 | S | 89.4 | Confident | 95.5 | Very high | 47 Ų | 47 | 46.6 Ų | 46.6 | 33% | 0.329 | 24% | 0.243 | S | C | . | . | trans | -70.4 | 132.7 | 177.1 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | P202 T203 R207 | P202-S205 WeakPolarHBondContact O-CB 3.33Å; P202-S205 PolarHBondContact O-N 2.95Å; T203-S205 PolarHBondContact O-N 3.38Å; S205-R207 PolarHBondContact O-N 3.06Å; S205-R207 VanDerWaalsContact OG-CB 3.25Å; S205-R207 WeakPolarHBondContact OG-CB 3.35Å; S205-R207 PolarHBondContact OG-N 3.36Å | ||
| 206 | H | 89.1 | Confident | 95.5 | Very high | 193 Ų | 193 | 47.2 Ų | 47.2 | 89% | 0.894 | 25% | 0.247 | S | C | * | . | trans | -83.4 | 12.8 | 171.2 | -57 | -60.1 | 0 | 0 | 0 | 113.4 | E208 | H206-E208 PolarHBondContact O-N 2.83Š| ||
| 207 | R | 91.9 | Very high | 95.4 | Very high | 68 Ų | 68 | 47.9 Ų | 47.9 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | trans | -66.2 | 129.6 | -179.9 | 177.3 | 176.8 | -70.4 | -83.6 | 1.4 | 110.5 | S205 I209 C215 N216 E218 | S205-R207 PolarHBondContact O-N 3.06Å; S205-R207 VanDerWaalsContact OG-CB 3.25Å; S205-R207 WeakPolarHBondContact OG-CB 3.35Å; S205-R207 PolarHBondContact OG-N 3.36Å; R207-I209 PolarHBondContact O-N 3.46Å; R207-C215 WeakPolarHBondContact CD-O 3.45Å; R207-N216 VanDerWaalsContact NH2-CG 3.31Å; R207-N216 PolarHBondContact NH2-OD1 3.38Å; R207-E218 IonicContact CZ-OE2 2.7Å; R207-E218 IonicContact NH1-OE1 3.09Å; R207-E218 IonicContact NH1-OE2 3.2Å; R207-E218 PolarHBondContact NH1-OE2 3.37Å; R207-E218 IonicContact NH2-OE2 2.76Å; R207-E218 PolarHBondContact NH2-OE2 3.07Å | ||
| 208 | E | 93.1 | Very high | 95.2 | Very high | 151 Ų | 151 | 53.2 Ų | 53.2 | 71% | 0.706 | 28% | 0.276 | S | S | * | . | trans | -60.3 | 129.1 | 170.4 | -174.4 | -179.7 | -169.8 | 0 | 0 | 110.8 | H206 I210 | H206-E208 PolarHBondContact O-N 2.83Å; E208-I210 HydrophobicContact CG-CG1 4.28Å | ||
| 209 | I | 95.1 | Very high | 95.1 | Very high | 72 Ų | 72 | 56.3 Ų | 56.3 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | trans | -101 | 105.5 | 176.1 | -54.8 | -61.6 | 0 | 0 | 0 | 108.1 | C201 R207 P214 | C201-I209 HydrophobicContact CB-CD1 4.38Å; R207-I209 PolarHBondContact O-N 3.46Å; I209-P214 HydrophobicContact CD1-CB 4.31Å | ||
| 210 | I | 95.3 | Very high | 95.1 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -83.9 | 138.1 | 177.7 | -61.7 | 174.2 | 0 | 0 | 0 | 108.8 | D82 E208 H212 W213 | D82-I210 HydrophobicContact CB-CB 4.47Å; E208-I210 HydrophobicContact CG-CG1 4.28Å; I210-H212 PolarHBondContact O-N 3.39Å; I210-H212 VanDerWaalsContact O-N 3.1Å; I210-W213 WeakPolarHBondContact O-CB 3.27Å; I210-W213 PolarHBondContact O-N 3.4Å |
| 211 | N | 94.2 | Very high | 95.1 | Very high | 58 Ų | 58 | 57.1 Ų | 57.1 | 31% | 0.31 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | 53.3 | 29.5 | 177.8 | -62 | -19.6 | 0 | 0 | 0 | 115 | C80 T81 W213 | C80-N211 WeakPolarHBondContact O-CB 3.38Å; T81-N211 PolarHBondContact O-ND2 2.9Å; N211-W213 PolarHBondContact O-N 3.21Å; N211-W213 VanDerWaalsContact O-N 3.11Å |
| 212 | H | 95.3 | Very high | 95.2 | Very high | 109 Ų | 109 | 57.1 Ų | 57.1 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | 54.3 | 28.9 | -173.5 | -55.9 | -92.1 | 0 | 0 | 0 | 113.1 | L64 S66 I210 P214 | L64-H212 PolarHBondContact O-ND1 2.98Å; S66-H212 PolarHBondContact OG-O 3.22Å; I210-H212 PolarHBondContact O-N 3.39Å; I210-H212 VanDerWaalsContact O-N 3.1Å; H212-P214 WeakPolarHBondContact O-CD 3.23Å |
| 213 | W | 97.6 | Very high | 95.2 | Very high | 10 Ų | 10 | 56 Ų | 56 | 4% | 0.038 | 29% | 0.286 | C | S | . | . | trans | -113.5 | 98 | -177.3 | -175.1 | -93.3 | 0 | 0 | 0 | 111.4 | T79 T81 D85 Y167 I210 N211 C215 G237 | T79-W213 HydrophobicContact CG2-CZ3 4.37Å; T81-W213 HydrophobicContact CG2-CD2 3.72Å; T81-W213 HydrophobicContact CG2-CE3 3.87Å; T81-W213 HydrophobicContact CG2-CG 4.4Å; T81-W213 HydrophobicContact CG2-CH2 3.7Å; T81-W213 HydrophobicContact CG2-CZ2 3.52Å; T81-W213 HydrophobicContact CG2-CZ3 3.88Å; D85-W213 PolarHBondContact OD2-NE1 2.96Å; Y167-W213 AromaticContact CD1-CH2 3.63Å; Y167-W213 HydrophobicContact CD1-CH2 3.63Å; Y167-W213 HydrophobicContact CD1-CZ3 4.06Å; Y167-W213 HydrophobicContact CD2-CH2 4.31Å; Y167-W213 HydrophobicContact CD2-CZ3 4.02Å; Y167-W213 AromaticContact CE1-CH2 3.62Å; Y167-W213 HydrophobicContact CE1-CH2 3.62Å; Y167-W213 HydrophobicContact CE1-CZ3 4.29Å; Y167-W213 HydrophobicContact CE2-CH2 4.28Å; Y167-W213 HydrophobicContact CE2-CZ3 4.24Å; Y167-W213 AromaticContact CG-CH2 3.99Å; Y167-W213 HydrophobicContact CG-CH2 3.99Å; Y167-W213 AromaticContact CG-CZ3 3.91Å; Y167-W213 HydrophobicContact CG-CZ3 3.91Å; Y167-W213 AromaticContact CZ-CH2 3.94Å; I210-W213 WeakPolarHBondContact O-CB 3.27Å; I210-W213 PolarHBondContact O-N 3.4Å; N211-W213 PolarHBondContact O-N 3.21Å; N211-W213 VanDerWaalsContact O-N 3.11Å; W213-C215 PolarHBondContact O-N 2.83Å; W213-G237 WeakPolarHBondContact CZ2-O 3.26Å | ||
| 214 | P | 97.3 | Very high | 95.5 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | trans | -66.4 | 122.9 | 176.3 | -19.8 | 33.2 | 0 | 0 | 0 | 111.2 | V199 C201 I209 H212 | V199-P214 HydrophobicContact CB-CB 4.07Å; V199-P214 WeakPolarHBondContact CB-O 3.42Å; V199-P214 HydrophobicContact CG2-CB 3.69Å; C201-P214 HydrophobicContact CB-CB 4.1Å; I209-P214 HydrophobicContact CD1-CB 4.31Å; H212-P214 WeakPolarHBondContact O-CD 3.23Å | ||
| 215 | C | 98 | Very high | 95.9 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | trans | -154 | 164.1 | 169.8 | 66.4 | 0 | 0 | 0 | 0 | 110.4 | D82 D85 V199 C201 R207 W213 | D82-C215 VanDerWaalsContact CB-SG 3.52Å; D85-C215 HydrophobicContact CB-CB 4.01Å; V199-C215 CarbonylContact O-C 3.52Å; C201-C215 VanDerWaalsContact SG-C 3.52Å; C201-C215 PolarHBondContact SG-O 3.48Å; R207-C215 WeakPolarHBondContact CD-O 3.45Å; W213-C215 PolarHBondContact O-N 2.83Å | ||
| 216 | N | 97.7 | Very high | 96.3 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | trans | -132.7 | 76.1 | 177.9 | -169.7 | -28.4 | 0 | 0 | 0 | 109.6 | V199 G200 R207 E218 K219 T220 F234 G235 | V199-N216 PolarHBondContact O-N 3.35Å; G200-N216 PolarHBondContact O-ND2 3.37Å; R207-N216 VanDerWaalsContact NH2-CG 3.31Å; R207-N216 PolarHBondContact NH2-OD1 3.38Å; N216-E218 PolarHBondContact O-N 2.9Å; N216-K219 CarbonylContact O-C 3.57Å; N216-K219 PolarHBondContact O-N 3.14Å; N216-K219 WeakPolarHBondContact OD1-CB 3.34Å; N216-K219 PolarHBondContact OD1-N 3.13Å; N216-T220 PolarHBondContact O-N 3.31Å; N216-T220 PolarHBondContact O-OG1 2.72Å; N216-F234 HydrophobicContact CB-CE1 4.48Å; N216-G235 CarbonylContact C-O 3.57Å; N216-G235 PolarHBondContact N-O 2.88Å | ||
| 217 | P | 96.4 | Very high | 96.5 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -56.9 | -35.2 | -173.4 | -27.9 | 37.2 | 0 | 0 | 0 | 113.6 | R84 K92 T220 | R84-P217 HydrophobicContact CB-CB 3.99Å; R84-P217 HydrophobicContact CB-CG 3.6Å; R84-P217 HydrophobicContact CG-CG 4.5Å; K92-P217 PolarHBondContact NZ-O 2.79Å; P217-T220 VanDerWaalsContact CA-OG1 3.3Å; P217-T220 WeakPolarHBondContact CA-OG1 3.45Å; P217-T220 PolarHBondContact O-N 3.37Å; P217-T220 PolarHBondContact O-OG1 3.33Å |
| 218 | E | 95.7 | Very high | 96.7 | Very high | 111 Ų | 111 | 45.5 Ų | 45.5 | 52% | 0.519 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -69.8 | -36.9 | -177.4 | -58.9 | 75.1 | -158.3 | 0 | 0 | 111.9 | R84 R207 N216 | R84-E218 IonicContact NH1-OE1 3.79Å; R84-E218 PolarHBondContact NH1-OE1 3.09Å; R207-E218 IonicContact CZ-OE2 2.7Å; R207-E218 IonicContact NH1-OE1 3.09Å; R207-E218 IonicContact NH1-OE2 3.2Å; R207-E218 PolarHBondContact NH1-OE2 3.37Å; R207-E218 IonicContact NH2-OE2 2.76Å; R207-E218 PolarHBondContact NH2-OE2 3.07Å; N216-E218 PolarHBondContact O-N 2.9Å |
| 219 | K | 97 | Very high | 96.8 | Very high | 65 Ų | 65 | 40.8 Ų | 40.8 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -97 | 8.6 | 177.2 | -64.9 | -156.5 | 176.5 | -154.8 | 0 | 113.6 | D130 R131 N216 I221 F234 | D130-K219 PolarHBondContact O-NZ 2.66Å; D130-K219 IonicContact OD1-NZ 2.67Å; D130-K219 PolarHBondContact OD1-NZ 2.69Å; D130-K219 WeakPolarHBondContact OD2-CE 3.4Å; D130-K219 IonicContact OD2-NZ 3.95Å; D130-K219 PolarHBondContact OD2-NZ 2.97Å; R131-K219 WeakPolarHBondContact CD-O 3.44Å; R131-K219 HydrophobicContact CG-CB 4.32Å; R131-K219 HydrophobicContact CG-CD 4Å; R131-K219 PolarHBondContact NE-O 3.18Å; N216-K219 CarbonylContact O-C 3.57Å; N216-K219 PolarHBondContact O-N 3.14Å; N216-K219 WeakPolarHBondContact OD1-CB 3.34Å; N216-K219 PolarHBondContact OD1-N 3.13Å; K219-I221 PolarHBondContact O-N 2.94Å; K219-F234 HydrophobicContact CB-CD1 4.18Å; K219-F234 HydrophobicContact CB-CE1 3.96Å |
| 220 | T | 98.3 | Very high | 97 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 9% | 0.086 | 18% | 0.18 | C | C | . | . | trans | -57.5 | 127.4 | -178.8 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | V89 K92 N216 P217 I222 F234 G235 | V89-T220 HydrophobicContact CG2-CG2 3.78Å; K92-T220 HydrophobicContact CD-CG2 4.3Å; K92-T220 WeakPolarHBondContact CD-O 3.41Å; N216-T220 PolarHBondContact O-N 3.31Å; N216-T220 PolarHBondContact O-OG1 2.72Å; P217-T220 VanDerWaalsContact CA-OG1 3.3Å; P217-T220 WeakPolarHBondContact CA-OG1 3.45Å; P217-T220 PolarHBondContact O-N 3.37Å; P217-T220 PolarHBondContact O-OG1 3.33Å; T220-I222 HydrophobicContact CG2-CD1 3.75Å; T220-F234 VanDerWaalsContact CA-O 3.22Å; T220-F234 WeakPolarHBondContact CA-O 3.49Å; T220-G235 PolarHBondContact OG1-O 3.4Å | ||
| 221 | I | 98.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.051 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 134.5 | 173.7 | -171.3 | 174.3 | 0 | 0 | 0 | 109.2 | E127 K219 S233 F234 | E127-I221 HydrophobicContact CB-CD1 3.86Å; E127-I221 HydrophobicContact CG-CD1 3.89Å; K219-I221 PolarHBondContact O-N 2.94Å; I221-S233 WeakPolarHBondContact O-CA 3.47Å; I221-F234 HydrophobicContact CG2-CB 3.99Å; I221-F234 PolarHBondContact N-O 3.2Å; I221-F234 PolarHBondContact O-N 2.89Å |
| 222 | I | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 111 | 176.2 | -55.4 | 89.8 | 0 | 0 | 0 | 107.5 | V89 K92 T93 W94 T220 N241 | V89-I222 HydrophobicContact CG2-CD1 3.74Å; K92-I222 PolarHBondContact O-N 3.14Å; T93-I222 CarbonylContact C-O 3.42Å; T93-I222 VanDerWaalsContact CA-O 3.25Å; T93-I222 WeakPolarHBondContact CA-O 3.48Å; T93-I222 HydrophobicContact CG2-CB 4.42Å; T93-I222 HydrophobicContact CG2-CG2 4.5Å; W94-I222 PolarHBondContact N-O 2.75Å; T220-I222 HydrophobicContact CG2-CD1 3.75Å; I222-N241 HydrophobicContact CD1-CB 4.19Å; I222-N241 HydrophobicContact CG1-CB 4.01Å |
| 223 | S | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 144.2 | -173.3 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | W94 L124 M232 | W94-S223 CarbonylContact O-C 3.46Å; W94-S223 WeakPolarHBondContact O-CA 3.48Å; L124-S223 WeakPolarHBondContact CD1-OG 3.4Å; S223-M232 PolarHBondContact N-O 2.89Å; S223-M232 PolarHBondContact O-N 3.18Å |
| 224 | H | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132 | -179.4 | -48.7 | 77.5 | 0 | 0 | 0 | 108 | W94 I95 C96 P226 C248 R252 I253 | W94-H224 PolarHBondContact O-N 2.85Å; W94-H224 PolarHBondContact O-ND1 2.76Å; I95-H224 CarbonylContact C-O 3.51Å; I95-H224 WeakPolarHBondContact CA-O 3.46Å; I95-H224 HydrophobicContact CG1-CB 4.19Å; C96-H224 PolarHBondContact N-O 2.96Å; H224-P226 WeakPolarHBondContact O-CD 3.3Å; H224-C248 WeakPolarHBondContact NE2-CA 3.28Å; H224-C248 VanDerWaalsContact NE2-CB 3.29Å; H224-C248 WeakPolarHBondContact NE2-CB 3.28Å; H224-C248 PolarHBondContact NE2-SG 3.22Å; H224-C248 VanDerWaalsContact NE2-SG 3.39Å; H224-R252 WeakPolarHBondContact CE1-CD 3.34Å; H224-R252 PolarHBondContact CE1-NH1 3.37Å; H224-R252 VanDerWaalsContact CE1-NH1 3.34Å; H224-R252 WeakPolarHBondContact NE2-CD 3.2Å; H224-R252 PolarHBondContact NE2-NH1 2.94Å; H224-R252 VanDerWaalsContact NE2-NH1 3.12Å; H224-I253 HydrophobicContact CB-CD1 4Å |
| 225 | V | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 4% | 0.036 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 83.3 | 175.7 | -165.7 | 0 | 0 | 0 | 0 | 107.7 | C96 L124 K227 E228 R229 L230 | C96-V225 HydrophobicContact CB-CG1 4.47Å; C96-V225 HydrophobicContact CB-CG2 4.04Å; L124-V225 HydrophobicContact CD2-CG2 3.64Å; V225-K227 VanDerWaalsContact C-N 3.32Å; V225-K227 PolarHBondContact O-N 3.3Å; V225-E228 HydrophobicContact CB-CB 4.32Å; V225-E228 HydrophobicContact CG1-CB 4Å; V225-E228 HydrophobicContact CG1-CG 3.86Å; V225-E228 PolarHBondContact O-N 2.5Å; V225-E228 VanDerWaalsContact O-N 3.07Å; V225-R229 PolarHBondContact O-N 2.84Å; V225-R229 VanDerWaalsContact O-N 3.1Å; V225-L230 HydrophobicContact CB-CB 4.17Å; V225-L230 HydrophobicContact CG2-CB 4.46Å; V225-L230 HydrophobicContact CG2-CD2 4.25Å; V225-L230 PolarHBondContact N-O 2.95Å; V225-L230 PolarHBondContact O-N 3.27Å |
| 226 | P | 97.2 | Very high | 97.6 | Very high | 28 Ų | 28 | 25.7 Ų | 25.7 | 18% | 0.182 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -55.3 | -42.4 | -172.5 | -28 | 35.6 | 0 | 0 | 0 | 114.1 | I95 H224 E228 R229 I253 C256 | I95-P226 HydrophobicContact CG2-CG 3.99Å; H224-P226 WeakPolarHBondContact O-CD 3.3Å; P226-E228 PolarHBondContact O-N 3.27Å; P226-R229 PolarHBondContact O-N 2.9Å; P226-I253 HydrophobicContact CB-CD1 4.34Å; P226-I253 HydrophobicContact CG-CD1 4.18Å; P226-C256 HydrophobicContact CB-CB 3.86Å |
| 227 | K | 94.9 | Very high | 97.7 | Very high | 177 Ų | 177 | 25.1 Ų | 25.1 | 77% | 0.77 | 12% | 0.117 | S | C | * | . | G | 310 helix | trans | -56.4 | -33.2 | 178.6 | -171.3 | 176 | -176.5 | 175.4 | 0 | 112.8 | E98 V225 | E98-K227 IonicContact OE2-NZ 2.78Å; E98-K227 PolarHBondContact OE2-NZ 2.81Å; V225-K227 VanDerWaalsContact C-N 3.32Å; V225-K227 PolarHBondContact O-N 3.3Å |
| 228 | E | 94.8 | Very high | 97.7 | Very high | 35 Ų | 35 | 24.6 Ų | 24.6 | 16% | 0.164 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -98.3 | -1.8 | 180 | -63 | -178 | -177.7 | 0 | 0 | 113.1 | M1 W2 R194 V225 P226 L230 | M1-E228 WeakPolarHBondContact CB-OE1 3.08Å; M1-E228 VanDerWaalsContact CG-OE1 3.3Å; M1-E228 WeakPolarHBondContact CG-OE1 3.46Å; M1-E228 VanDerWaalsContact SD-OE1 3.37Å; W2-E228 WeakPolarHBondContact CA-OE2 3.29Å; W2-E228 VanDerWaalsContact CB-OE2 3.23Å; W2-E228 WeakPolarHBondContact CB-OE2 3.46Å; W2-E228 PolarHBondContact N-OE1 3.38Å; W2-E228 PolarHBondContact N-OE2 3.31Å; R194-E228 PolarHBondContact NH1-O 3.42Å; V225-E228 HydrophobicContact CB-CB 4.32Å; V225-E228 HydrophobicContact CG1-CB 4Å; V225-E228 HydrophobicContact CG1-CG 3.86Å; V225-E228 PolarHBondContact O-N 2.5Å; V225-E228 VanDerWaalsContact O-N 3.07Å; P226-E228 PolarHBondContact O-N 3.27Å; E228-L230 HydrophobicContact CB-CB 4.01Å; E228-L230 PolarHBondContact O-N 2.99Å |
| 229 | R | 96.5 | Very high | 97.6 | Very high | 51 Ų | 51 | 19.3 Ų | 19.3 | 19% | 0.192 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 44.5 | -168.8 | -58.1 | -174.2 | -174.4 | 177.4 | 9.8 | 111.4 | E191 V193 R194 V225 P226 | E191-R229 VanDerWaalsContact CD-NH2 3.29Å; E191-R229 IonicContact OE1-CZ 3.32Å; E191-R229 IonicContact OE1-NH1 2.92Å; E191-R229 IonicContact OE1-NH2 3.22Å; E191-R229 PolarHBondContact OE1-NH2 3.27Å; E191-R229 VanDerWaalsContact OE1-NH2 3.12Å; E191-R229 IonicContact OE2-CZ 2.65Å; E191-R229 IonicContact OE2-NH1 3.68Å; E191-R229 PolarHBondContact OE2-NH1 3.38Å; E191-R229 IonicContact OE2-NH2 3.92Å; E191-R229 PolarHBondContact OE2-NH2 3.42Å; V193-R229 CarbonylContact C-O 3.29Å; V193-R229 WeakPolarHBondContact CA-O 3.49Å; V193-R229 WeakPolarHBondContact CG1-O 3.41Å; V193-R229 HydrophobicContact CG2-CB 4.25Å; R194-R229 PolarHBondContact N-O 3.25Å; V225-R229 PolarHBondContact O-N 2.84Å; V225-R229 VanDerWaalsContact O-N 3.1Å; P226-R229 PolarHBondContact O-N 2.9Å |
| 230 | L | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.5 | -175.4 | 175.7 | 70.3 | 0 | 0 | 0 | 110.7 | W2 R194 V196 V225 E228 M232 | W2-L230 HydrophobicContact CB-CD2 4.22Å; R194-L230 HydrophobicContact CB-CB 4.46Å; R194-L230 HydrophobicContact CB-CD1 3.57Å; R194-L230 CarbonylContact O-C 3.56Å; R194-L230 WeakPolarHBondContact O-CA 3.04Å; V196-L230 HydrophobicContact CG2-CD1 4.19Å; V225-L230 HydrophobicContact CB-CB 4.17Å; V225-L230 HydrophobicContact CG2-CB 4.46Å; V225-L230 HydrophobicContact CG2-CD2 4.25Å; V225-L230 PolarHBondContact N-O 2.95Å; V225-L230 PolarHBondContact O-N 3.27Å; E228-L230 HydrophobicContact CB-CB 4.01Å; E228-L230 PolarHBondContact O-N 2.99Å; L230-M232 HydrophobicContact CD1-CG 4.41Å; L230-M232 HydrophobicContact CD1-SD 3.71Å; L230-M232 HydrophobicContact CD2-CG 3.97Å; L230-M232 HydrophobicContact CD2-SD 3.89Å; L230-M232 HydrophobicContact CG-CG 3.97Å; L230-M232 HydrophobicContact CG-SD 3.9Å |
| 231 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.9 | 172.1 | -60.5 | 164.7 | 0 | 0 | 0 | 107.2 | V193 R194 V196 L244 C248 F249 I253 | V193-I231 HydrophobicContact CG1-CD1 3.86Å; V193-I231 HydrophobicContact CG1-CG1 4.32Å; R194-I231 PolarHBondContact O-N 3.06Å; V196-I231 PolarHBondContact N-O 3.23Å; I231-L244 HydrophobicContact CB-CD1 4.47Å; I231-L244 HydrophobicContact CG2-CB 4.28Å; I231-L244 HydrophobicContact CG2-CD1 3.88Å; I231-L244 HydrophobicContact CG2-CD2 3.96Å; I231-L244 HydrophobicContact CG2-CG 4.26Å; I231-C248 HydrophobicContact CD1-CB 3.73Å; I231-C248 HydrophobicContact CG1-CB 4.25Å; I231-C248 HydrophobicContact CG2-CB 3.68Å; I231-F249 HydrophobicContact CD1-CB 3.73Å; I231-I253 HydrophobicContact CD1-CG1 3.83Å; I231-I253 HydrophobicContact CG1-CD1 4.26Å; I231-I253 HydrophobicContact CG1-CG1 3.67Å |
| 232 | M | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 110.9 | 179.3 | -63 | -60.2 | -51.4 | 0 | 0 | 108.2 | W35 I128 Y132 V196 S223 L230 | W35-M232 HydrophobicContact CH2-CE 3.12Å; W35-M232 HydrophobicContact CH2-SD 3.79Å; W35-M232 HydrophobicContact CZ2-CE 3.55Å; W35-M232 HydrophobicContact CZ2-SD 3.56Å; W35-M232 VanDerWaalsContact CZ2-SD 3.56Å; W35-M232 HydrophobicContact CZ3-CE 3.77Å; I128-M232 HydrophobicContact CD1-CE 4.49Å; I128-M232 HydrophobicContact CD1-CG 4.25Å; I128-M232 HydrophobicContact CG1-CE 4.48Å; Y132-M232 HydrophobicContact CD1-CE 4.15Å; Y132-M232 HydrophobicContact CD2-CE 4.01Å; Y132-M232 HydrophobicContact CE1-CE 3.66Å; Y132-M232 HydrophobicContact CE2-CE 3.46Å; Y132-M232 VanDerWaalsContact CE2-CE 3.46Å; Y132-M232 HydrophobicContact CG-CE 4.31Å; V196-M232 HydrophobicContact CB-CE 3.72Å; V196-M232 HydrophobicContact CB-SD 3.65Å; V196-M232 HydrophobicContact CG1-CE 3.72Å; V196-M232 HydrophobicContact CG1-SD 4.29Å; V196-M232 HydrophobicContact CG2-CE 4.2Å; V196-M232 HydrophobicContact CG2-SD 3.67Å; S223-M232 PolarHBondContact N-O 2.89Å; S223-M232 PolarHBondContact O-N 3.18Å; L230-M232 HydrophobicContact CD1-CG 4.41Å; L230-M232 HydrophobicContact CD1-SD 3.71Å; L230-M232 HydrophobicContact CD2-CG 3.97Å; L230-M232 HydrophobicContact CD2-SD 3.89Å; L230-M232 HydrophobicContact CG-CG 3.97Å; L230-M232 HydrophobicContact CG-SD 3.9Å |
| 233 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134 | 176.6 | -172.7 | 0 | 0 | 0 | 0 | 111 | Y132 V196 H197 S198 I221 N241 | Y132-S233 PolarHBondContact OH-N 3.08Å; Y132-S233 VanDerWaalsContact OH-N 3.15Å; Y132-S233 PolarHBondContact OH-O 3.17Å; V196-S233 PolarHBondContact O-N 3.26Å; H197-S233 VanDerWaalsContact CA-O 3.29Å; H197-S233 WeakPolarHBondContact CA-O 3.28Å; S198-S233 PolarHBondContact N-O 2.93Å; S198-S233 VanDerWaalsContact N-O 3.12Å; I221-S233 WeakPolarHBondContact O-CA 3.47Å; S233-N241 WeakPolarHBondContact CB-O 3.45Å; S233-N241 PolarHBondContact OG-O 3.11Å |
| 234 | F | 98.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 15.5 Ų | 15.5 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 141.1 | -178.3 | -168 | -90.1 | 0 | 0 | 0 | 110.8 | R131 Y132 C135 S198 N216 K219 T220 I221 S236 | R131-F234 HydrophobicContact CB-CD1 4Å; R131-F234 HydrophobicContact CB-CD2 3.88Å; R131-F234 HydrophobicContact CB-CE1 3.95Å; R131-F234 HydrophobicContact CB-CE2 3.81Å; R131-F234 HydrophobicContact CB-CG 3.96Å; R131-F234 HydrophobicContact CB-CZ 3.83Å; R131-F234 HydrophobicContact CG-CD1 3.85Å; R131-F234 HydrophobicContact CG-CE1 3.85Å; R131-F234 HydrophobicContact CG-CG 4.23Å; R131-F234 HydrophobicContact CG-CZ 4.22Å; R131-F234 WeakPolarHBondContact O-CE2 3.31Å; R131-F234 VanDerWaalsContact O-CZ 3.29Å; R131-F234 WeakPolarHBondContact O-CZ 3.4Å; Y132-F234 HydrophobicContact CD1-CD2 4.27Å; Y132-F234 HydrophobicContact CD2-CD2 4.47Å; Y132-F234 AromaticContact CE1-CD2 3.98Å; Y132-F234 HydrophobicContact CE1-CD2 3.98Å; Y132-F234 HydrophobicContact CE2-CB 4.29Å; Y132-F234 HydrophobicContact CE2-CD2 4.24Å; Y132-F234 AromaticContact CZ-CD2 3.98Å; C135-F234 HydrophobicContact CB-CE2 3.62Å; C135-F234 HydrophobicContact CB-CZ 4.19Å; S198-F234 CarbonylContact O-C 3.51Å; S198-F234 WeakPolarHBondContact O-CA 3.41Å; N216-F234 HydrophobicContact CB-CE1 4.48Å; K219-F234 HydrophobicContact CB-CD1 4.18Å; K219-F234 HydrophobicContact CB-CE1 3.96Å; T220-F234 VanDerWaalsContact CA-O 3.22Å; T220-F234 WeakPolarHBondContact CA-O 3.49Å; I221-F234 HydrophobicContact CG2-CB 3.99Å; I221-F234 PolarHBondContact N-O 3.2Å; I221-F234 PolarHBondContact O-N 2.89Å; F234-S236 PolarHBondContact O-N 3.5Å |
| 235 | G | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | 85.1 | 0.4 | 164 | 0 | 0 | 0 | 0 | 0 | 116.4 | S198 V199 N216 T220 | S198-G235 PolarHBondContact O-N 3.04Å; V199-G235 WeakPolarHBondContact O-CA 3.35Å; N216-G235 CarbonylContact C-O 3.57Å; N216-G235 PolarHBondContact N-O 2.88Å; T220-G235 PolarHBondContact OG1-O 3.4Å |
| 236 | S | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -133.1 | 124.5 | 178.5 | 171.4 | 0 | 0 | 0 | 0 | 110 | D85 H197 F234 Y238 N241 | D85-S236 VanDerWaalsContact OD1-CB 3.28Å; D85-S236 WeakPolarHBondContact OD1-CB 3.41Å; D85-S236 PolarHBondContact OD1-OG 2.91Å; H197-S236 PolarHBondContact NE2-O 2.9Å; F234-S236 PolarHBondContact O-N 3.5Å; S236-Y238 PolarHBondContact OG-N 2.94Å; S236-N241 VanDerWaalsContact OG-CB 3.32Å; S236-N241 WeakPolarHBondContact OG-CB 3.19Å; S236-N241 PolarHBondContact OG-ND2 2.74Å | ||
| 237 | G | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | trans | -87.4 | -7.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D85 W213 S242 | D85-G237 PolarHBondContact OD2-N 3.04Å; W213-G237 WeakPolarHBondContact CZ2-O 3.26Å; G237-S242 WeakPolarHBondContact O-CB 3.42Å; G237-S242 PolarHBondContact O-OG 3.15Å | ||
| 238 | Y | 97.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 6.2 Ų | 6.2 | 2% | 0.016 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -81.5 | 122.9 | -169.7 | 179.4 | -89.5 | 0 | 0 | 0 | 113.5 | D85 V86 A87 S236 G240 N241 S242 N408 R410 | D85-Y238 WeakPolarHBondContact O-CB 3.47Å; D85-Y238 WeakPolarHBondContact OD1-CB 3.32Å; D85-Y238 PolarHBondContact OD2-N 3.16Å; V86-Y238 VanDerWaalsContact O-CE2 3.23Å; V86-Y238 WeakPolarHBondContact O-CE2 3.49Å; V86-Y238 PolarHBondContact O-OH 3.41Å; A87-Y238 VanDerWaalsContact CA-CE1 3.49Å; S236-Y238 PolarHBondContact OG-N 2.94Å; Y238-G240 PolarHBondContact O-N 3.4Å; Y238-G240 VanDerWaalsContact O-N 3.16Å; Y238-N241 WeakPolarHBondContact O-CB 3.42Å; Y238-N241 PolarHBondContact O-N 2.77Å; Y238-S242 PolarHBondContact O-N 3.24Å; Y238-N408 PolarHBondContact OH-ND2 3.34Å; Y238-N408 PolarHBondContact OH-O 2.79Å; Y238-R410 WeakPolarHBondContact OH-CG 3.21Å |
| 239 | G | 93.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | 35.5 | -111.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | N241 S242 L243 | G239-N241 PolarHBondContact O-N 2.78Å; G239-S242 PolarHBondContact N-OG 3.18Å; G239-S242 PolarHBondContact O-N 3.13Å; G239-S242 PolarHBondContact O-OG 2.86Å; G239-L243 WeakPolarHBondContact O-CB 3.44Å; G239-L243 WeakPolarHBondContact O-CG 3.46Å; G239-L243 PolarHBondContact O-N 3.43Å |
| 240 | G | 90.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 2.1 Ų | 2.1 | 7% | 0.072 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -63.9 | -11 | -174 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y238 | Y238-G240 PolarHBondContact O-N 3.4Å; Y238-G240 VanDerWaalsContact O-N 3.16Å |
| 241 | N | 97.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 1.9 Ų | 1.9 | 2% | 0.021 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -94.1 | -23.7 | 175.4 | -53.2 | -28.7 | 0 | 0 | 0 | 111.6 | A87 I222 S233 S236 Y238 G239 L244 | A87-N241 PolarHBondContact O-ND2 3.29Å; I222-N241 HydrophobicContact CD1-CB 4.19Å; I222-N241 HydrophobicContact CG1-CB 4.01Å; S233-N241 WeakPolarHBondContact CB-O 3.45Å; S233-N241 PolarHBondContact OG-O 3.11Å; S236-N241 VanDerWaalsContact OG-CB 3.32Å; S236-N241 WeakPolarHBondContact OG-CB 3.19Å; S236-N241 PolarHBondContact OG-ND2 2.74Å; Y238-N241 WeakPolarHBondContact O-CB 3.42Å; Y238-N241 PolarHBondContact O-N 2.77Å; G239-N241 PolarHBondContact O-N 2.78Å; N241-L244 VanDerWaalsContact O-CD2 3.27Å; N241-L244 WeakPolarHBondContact O-CD2 3.32Å |
| 242 | S | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -115.6 | -29.2 | -172.4 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | H197 G237 Y238 G239 L244 | H197-S242 VanDerWaalsContact NE2-CB 3.33Å; H197-S242 WeakPolarHBondContact NE2-CB 3.5Å; G237-S242 WeakPolarHBondContact O-CB 3.42Å; G237-S242 PolarHBondContact O-OG 3.15Å; Y238-S242 PolarHBondContact O-N 3.24Å; G239-S242 PolarHBondContact N-OG 3.18Å; G239-S242 PolarHBondContact O-N 3.13Å; G239-S242 PolarHBondContact O-OG 2.86Å; S242-L244 VanDerWaalsContact C-N 3.33Å; S242-L244 PolarHBondContact O-N 3.39Å |
| 243 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.012 | C | C | . | . | trans | -82.4 | 79.1 | 173.3 | -51.3 | -177.8 | 0 | 0 | 0 | 108.9 | V168 C171 M172 M175 G239 G245 K246 F336 | V168-L243 HydrophobicContact CG1-CD2 4.27Å; C171-L243 HydrophobicContact CB-CD1 3.95Å; C171-L243 HydrophobicContact CB-CD2 3.4Å; C171-L243 HydrophobicContact CB-CG 4.32Å; M172-L243 HydrophobicContact CG-CD2 4.06Å; M172-L243 HydrophobicContact SD-CB 4.08Å; M172-L243 HydrophobicContact SD-CD2 4.37Å; M175-L243 HydrophobicContact CG-CD1 4.23Å; G239-L243 WeakPolarHBondContact O-CB 3.44Å; G239-L243 WeakPolarHBondContact O-CG 3.46Å; G239-L243 PolarHBondContact O-N 3.43Å; L243-G245 PolarHBondContact O-N 3.48Å; L243-G245 VanDerWaalsContact O-N 3.14Å; L243-K246 PolarHBondContact O-N 3.35Å; L243-F336 HydrophobicContact CD1-CD2 4.39Å; L243-F336 HydrophobicContact CD1-CE2 4.39Å | ||
| 244 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.012 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.4 | -164.2 | -57.5 | -172.7 | 0 | 0 | 0 | 113.2 | E161 C195 H197 I231 N241 S242 K246 C248 F249 | E161-L244 HydrophobicContact CG-CD1 4.27Å; E161-L244 HydrophobicContact CG-CG 4.45Å; E161-L244 WeakPolarHBondContact OE2-CB 3.38Å; E161-L244 PolarHBondContact OE2-N 3.48Å; E161-L244 VanDerWaalsContact OE2-N 3.13Å; C195-L244 HydrophobicContact CB-CB 3.87Å; C195-L244 HydrophobicContact CB-CD1 3.67Å; C195-L244 HydrophobicContact CB-CG 4.38Å; H197-L244 HydrophobicContact CB-CD1 3.9Å; H197-L244 HydrophobicContact CB-CG 4.44Å; I231-L244 HydrophobicContact CB-CD1 4.47Å; I231-L244 HydrophobicContact CG2-CB 4.28Å; I231-L244 HydrophobicContact CG2-CD1 3.88Å; I231-L244 HydrophobicContact CG2-CD2 3.96Å; I231-L244 HydrophobicContact CG2-CG 4.26Å; N241-L244 VanDerWaalsContact O-CD2 3.27Å; N241-L244 WeakPolarHBondContact O-CD2 3.32Å; S242-L244 VanDerWaalsContact C-N 3.33Å; S242-L244 PolarHBondContact O-N 3.39Å; L244-K246 VanDerWaalsContact C-N 3.3Å; L244-K246 PolarHBondContact O-N 2.95Å; L244-C248 HydrophobicContact CD2-CB 4.43Å; L244-F249 WeakPolarHBondContact O-CB 3.37Å; L244-F249 PolarHBondContact O-N 3.14Å |
| 245 | G | 97.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.014 | C | C | . | . | I | π-helix | trans | -62.1 | -30.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | M148 L243 A250 | M148-G245 WeakPolarHBondContact CE-O 3.48Å; L243-G245 PolarHBondContact O-N 3.48Å; L243-G245 VanDerWaalsContact O-N 3.14Å; G245-A250 VanDerWaalsContact O-CB 3.31Å; G245-A250 WeakPolarHBondContact O-CB 3.47Å; G245-A250 PolarHBondContact O-N 3.41Å; G245-A250 VanDerWaalsContact O-N 3.16Å |
| 246 | K | 97.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 2.5 Ų | 2.5 | 3% | 0.03 | 2% | 0.015 | C | C | . | . | I | π-helix | trans | -78.6 | -87 | -170.1 | -174.5 | 169.4 | -177.8 | 71.5 | 0 | 113.3 | M175 L243 L244 A250 D314 I315 E332 F336 | M175-K246 HydrophobicContact CE-CD 4.3Å; L243-K246 PolarHBondContact O-N 3.35Å; L244-K246 VanDerWaalsContact C-N 3.3Å; L244-K246 PolarHBondContact O-N 2.95Å; K246-A250 WeakPolarHBondContact O-CA 3.27Å; K246-A250 VanDerWaalsContact O-CB 3.29Å; K246-A250 WeakPolarHBondContact O-CB 3.29Å; K246-A250 PolarHBondContact O-N 3.28Å; K246-A250 VanDerWaalsContact O-N 3.11Å; K246-D314 WeakPolarHBondContact CE-OD2 3.44Å; K246-D314 IonicContact NZ-OD2 2.87Å; K246-D314 PolarHBondContact NZ-OD2 3.21Å; K246-I315 HydrophobicContact CG-CD1 4.09Å; K246-I315 VanDerWaalsContact O-CD1 3.27Å; K246-I315 WeakPolarHBondContact O-CD1 3.48Å; K246-E332 WeakPolarHBondContact CD-OE1 3.25Å; K246-E332 VanDerWaalsContact CG-OE1 3.25Å; K246-E332 WeakPolarHBondContact CG-OE1 3.36Å; K246-E332 IonicContact NZ-OE1 3.59Å; K246-E332 PolarHBondContact NZ-OE1 2.89Å; K246-E332 IonicContact NZ-OE2 2.73Å; K246-E332 PolarHBondContact NZ-OE2 3.31Å; K246-F336 HydrophobicContact CD-CB 4.32Å |
| 247 | K | 97 | Very high | 97.5 | Very high | 9 Ų | 9 | 3 Ų | 3 | 4% | 0.039 | 2% | 0.018 | C | C | . | . | I | π-helix | trans | -83 | -39 | -173.9 | -60.6 | -57.2 | -174.1 | 179.5 | 0 | 112.2 | L251 R252 H267 D314 F490 | K247-L251 HydrophobicContact CD-CD1 3.63Å; K247-L251 PolarHBondContact O-N 3.36Å; K247-R252 PolarHBondContact O-N 2.68Å; K247-H267 PolarHBondContact NZ-CD2 3.47Å; K247-H267 PolarHBondContact NZ-NE2 3.49Å; K247-H267 VanDerWaalsContact NZ-NE2 3.18Å; K247-D314 WeakPolarHBondContact CE-OD2 3.4Å; K247-D314 IonicContact NZ-OD1 3.97Å; K247-D314 PolarHBondContact NZ-OD1 3.11Å; K247-D314 IonicContact NZ-OD2 2.86Å; K247-D314 PolarHBondContact NZ-OD2 2.97Å; K247-F490 HydrophobicContact CB-CD1 4.3Å; K247-F490 HydrophobicContact CB-CE1 4.15Å; K247-F490 HydrophobicContact CD-CD1 4.15Å; K247-F490 HydrophobicContact CD-CE1 3.63Å; K247-F490 HydrophobicContact CD-CZ 4.02Å; K247-F490 HydrophobicContact CG-CD1 4.48Å; K247-F490 HydrophobicContact CG-CE1 3.89Å |
| 248 | C | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.018 | C | C | . | . | I | π-helix | trans | -68.2 | -50.9 | -176.9 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | H224 I231 L244 R252 I253 | H224-C248 WeakPolarHBondContact NE2-CA 3.28Å; H224-C248 VanDerWaalsContact NE2-CB 3.29Å; H224-C248 WeakPolarHBondContact NE2-CB 3.28Å; H224-C248 PolarHBondContact NE2-SG 3.22Å; H224-C248 VanDerWaalsContact NE2-SG 3.39Å; I231-C248 HydrophobicContact CD1-CB 3.73Å; I231-C248 HydrophobicContact CG1-CB 4.25Å; I231-C248 HydrophobicContact CG2-CB 3.68Å; L244-C248 HydrophobicContact CD2-CB 4.43Å; C248-R252 WeakPolarHBondContact O-CB 3.31Å; C248-I253 WeakPolarHBondContact O-CG1 3.21Å; C248-I253 PolarHBondContact O-N 3.33Å |
| 249 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.032 | C | C | . | . | I | π-helix | trans | -79.1 | -67.3 | 175.2 | -175.3 | -178.6 | 0 | 0 | 0 | 110.9 | F146 M148 K157 V193 I231 L244 L251 I253 A254 W317 | F146-F249 AromaticContact CE2-CD1 3.69Å; F146-F249 HydrophobicContact CE2-CD1 3.69Å; F146-F249 AromaticContact CE2-CE1 4Å; F146-F249 HydrophobicContact CE2-CE1 4Å; F146-F249 AromaticContact CZ-CD1 3.87Å; F146-F249 HydrophobicContact CZ-CD1 3.87Å; F146-F249 HydrophobicContact CZ-CE1 4.3Å; M148-F249 HydrophobicContact CB-CE1 4.41Å; M148-F249 HydrophobicContact CG-CD1 3.7Å; M148-F249 HydrophobicContact CG-CE1 3.7Å; M148-F249 HydrophobicContact CG-CG 4.42Å; M148-F249 HydrophobicContact CG-CZ 4.41Å; K157-F249 HydrophobicContact CB-CE1 4.48Å; K157-F249 HydrophobicContact CB-CE2 4.03Å; K157-F249 HydrophobicContact CB-CZ 3.46Å; K157-F249 VanDerWaalsContact CB-CZ 3.46Å; V193-F249 HydrophobicContact CB-CD1 4.03Å; V193-F249 HydrophobicContact CB-CD2 4.36Å; V193-F249 HydrophobicContact CB-CE1 3.78Å; V193-F249 HydrophobicContact CB-CE2 4.17Å; V193-F249 HydrophobicContact CB-CG 4.31Å; V193-F249 HydrophobicContact CB-CZ 3.85Å; V193-F249 HydrophobicContact CG1-CD1 4.22Å; V193-F249 HydrophobicContact CG1-CD2 4.32Å; V193-F249 HydrophobicContact CG1-CE1 4.46Å; V193-F249 HydrophobicContact CG1-CG 4.14Å; V193-F249 HydrophobicContact CG2-CD1 4.2Å; V193-F249 HydrophobicContact CG2-CD2 3.8Å; V193-F249 HydrophobicContact CG2-CE1 3.72Å; V193-F249 HydrophobicContact CG2-CE2 3.29Å; V193-F249 HydrophobicContact CG2-CG 4.25Å; V193-F249 HydrophobicContact CG2-CZ 3.22Å; I231-F249 HydrophobicContact CD1-CB 3.73Å; L244-F249 WeakPolarHBondContact O-CB 3.37Å; L244-F249 PolarHBondContact O-N 3.14Å; F249-L251 PolarHBondContact O-N 2.81Å; F249-I253 HydrophobicContact CD2-CB 4.25Å; F249-I253 HydrophobicContact CD2-CG2 4.22Å; F249-I253 PolarHBondContact O-N 3.46Å; F249-A254 WeakPolarHBondContact O-CB 3.26Å; F249-A254 PolarHBondContact O-N 3.14Å; F249-W317 HydrophobicContact CE2-CH2 4.33Å; F249-W317 HydrophobicContact CE2-CZ2 4.46Å; F249-W317 HydrophobicContact CZ-CH2 4.45Å |
| 250 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -72 | -3.6 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | M148 G245 K246 A254 I315 W317 P331 | M148-A250 HydrophobicContact CE-CB 3.83Å; G245-A250 VanDerWaalsContact O-CB 3.31Å; G245-A250 WeakPolarHBondContact O-CB 3.47Å; G245-A250 PolarHBondContact O-N 3.41Å; G245-A250 VanDerWaalsContact O-N 3.16Å; K246-A250 WeakPolarHBondContact O-CA 3.27Å; K246-A250 VanDerWaalsContact O-CB 3.29Å; K246-A250 WeakPolarHBondContact O-CB 3.29Å; K246-A250 PolarHBondContact O-N 3.28Å; K246-A250 VanDerWaalsContact O-N 3.11Å; A250-A254 WeakPolarHBondContact O-CB 3.25Å; A250-I315 HydrophobicContact CB-CD1 3.85Å; A250-I315 HydrophobicContact CB-CG2 4.09Å; A250-W317 HydrophobicContact CB-CZ2 3.76Å; A250-W317 PolarHBondContact O-NE1 3.05Å; A250-P331 HydrophobicContact CB-CB 4.47Å; A250-P331 HydrophobicContact CB-CG 4.14Å |
| 251 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | I | π-helix | trans | -118.8 | -56.6 | 166.6 | -60.9 | 175.7 | 0 | 0 | 0 | 113.1 | K247 F249 G255 E266 H267 I315 M487 F490 | K247-L251 HydrophobicContact CD-CD1 3.63Å; K247-L251 PolarHBondContact O-N 3.36Å; F249-L251 PolarHBondContact O-N 2.81Å; L251-G255 VanDerWaalsContact O-CA 3.29Å; L251-G255 WeakPolarHBondContact O-CA 3.34Å; L251-G255 PolarHBondContact O-N 3.48Å; L251-E266 WeakPolarHBondContact CD2-O 3.38Å; L251-H267 HydrophobicContact CD1-CB 4.08Å; L251-H267 HydrophobicContact CD2-CB 4.31Å; L251-I315 HydrophobicContact CD2-CG1 4.33Å; L251-I315 HydrophobicContact CD2-CG2 3.86Å; L251-I315 HydrophobicContact CG-CD1 4.26Å; L251-I315 HydrophobicContact CG-CG1 4.38Å; L251-I315 HydrophobicContact CG-CG2 4.49Å; L251-M487 HydrophobicContact CB-CE 4.44Å; L251-M487 HydrophobicContact CD1-SD 4.47Å; L251-M487 HydrophobicContact CD2-CE 4.48Å; L251-M487 HydrophobicContact CD2-SD 4.16Å; L251-F490 HydrophobicContact CB-CB 3.96Å; L251-F490 HydrophobicContact CD1-CB 3.81Å; L251-F490 HydrophobicContact CD1-CD1 3.9Å; L251-F490 HydrophobicContact CD1-CD2 3.85Å; L251-F490 HydrophobicContact CD1-CE1 4.42Å; L251-F490 HydrophobicContact CD1-CE2 4.39Å; L251-F490 HydrophobicContact CD1-CG 3.59Å |
| 252 | R | 98.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 17 Ų | 17 | 3% | 0.034 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -72.4 | -58.4 | -172.3 | -65.1 | 178.5 | -163.9 | 109.9 | 3 | 113.1 | H224 K247 C248 G255 C256 P489 F490 G492 | H224-R252 WeakPolarHBondContact CE1-CD 3.34Å; H224-R252 PolarHBondContact CE1-NH1 3.37Å; H224-R252 VanDerWaalsContact CE1-NH1 3.34Å; H224-R252 WeakPolarHBondContact NE2-CD 3.2Å; H224-R252 PolarHBondContact NE2-NH1 2.94Å; H224-R252 VanDerWaalsContact NE2-NH1 3.12Å; K247-R252 PolarHBondContact O-N 2.68Å; C248-R252 WeakPolarHBondContact O-CB 3.31Å; R252-G255 PolarHBondContact O-N 3.42Å; R252-C256 PolarHBondContact O-N 2.89Å; R252-C256 PolarHBondContact O-SG 2.89Å; R252-C256 VanDerWaalsContact O-SG 3.37Å; R252-P489 PolarHBondContact NE-O 3.17Å; R252-P489 PolarHBondContact NH2-O 3.28Å; R252-F490 WeakPolarHBondContact CG-O 3.47Å; R252-G492 WeakPolarHBondContact O-CA 3.37Å |
| 253 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -66.4 | -45.5 | 177.3 | -63.6 | -65.8 | 0 | 0 | 0 | 110.1 | V193 H224 P226 I231 C248 F249 G255 C256 I257 | V193-I253 HydrophobicContact CG1-CG2 4.37Å; V193-I253 HydrophobicContact CG2-CG2 4.15Å; H224-I253 HydrophobicContact CB-CD1 4Å; P226-I253 HydrophobicContact CB-CD1 4.34Å; P226-I253 HydrophobicContact CG-CD1 4.18Å; I231-I253 HydrophobicContact CD1-CG1 3.83Å; I231-I253 HydrophobicContact CG1-CD1 4.26Å; I231-I253 HydrophobicContact CG1-CG1 3.67Å; C248-I253 WeakPolarHBondContact O-CG1 3.21Å; C248-I253 PolarHBondContact O-N 3.33Å; F249-I253 HydrophobicContact CD2-CB 4.25Å; F249-I253 HydrophobicContact CD2-CG2 4.22Å; F249-I253 PolarHBondContact O-N 3.46Å; I253-G255 VanDerWaalsContact C-N 3.3Å; I253-G255 PolarHBondContact O-N 3.09Å; I253-C256 WeakPolarHBondContact O-CB 3.48Å; I253-C256 PolarHBondContact O-N 3.44Å; I253-I257 HydrophobicContact CG2-CD1 3.78Å; I253-I257 HydrophobicContact CG2-CG1 4.4Å; I253-I257 WeakPolarHBondContact O-CG1 3.45Å; I253-I257 PolarHBondContact O-N 3.26Å; I253-I257 VanDerWaalsContact O-N 3.08Å |
| 254 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.1 | -38.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F249 A250 C256 I257 A258 W263 A265 W317 | F249-A254 WeakPolarHBondContact O-CB 3.26Å; F249-A254 PolarHBondContact O-N 3.14Å; A250-A254 WeakPolarHBondContact O-CB 3.25Å; A254-C256 VanDerWaalsContact C-N 3.32Å; A254-C256 PolarHBondContact O-N 2.74Å; A254-I257 CarbonylContact O-C 3.57Å; A254-I257 PolarHBondContact O-N 2.81Å; A254-A258 WeakPolarHBondContact O-CB 3.39Å; A254-A258 PolarHBondContact O-N 3.21Å; A254-W263 HydrophobicContact CB-CH2 4.06Å; A254-A265 HydrophobicContact CB-CB 3.8Å; A254-W317 HydrophobicContact CB-CZ2 3.77Å |
| 255 | G | 98.1 | Very high | 97.9 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 6% | 0.062 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.9 | -38.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L251 R252 I253 A258 R259 Y493 | L251-G255 VanDerWaalsContact O-CA 3.29Å; L251-G255 WeakPolarHBondContact O-CA 3.34Å; L251-G255 PolarHBondContact O-N 3.48Å; R252-G255 PolarHBondContact O-N 3.42Å; I253-G255 VanDerWaalsContact C-N 3.3Å; I253-G255 PolarHBondContact O-N 3.09Å; G255-A258 PolarHBondContact O-N 3.46Å; G255-R259 PolarHBondContact O-N 2.84Å; G255-Y493 VanDerWaalsContact O-CE1 3.3Å; G255-Y493 WeakPolarHBondContact O-CE1 3.3Å |
| 256 | C | 98 | Very high | 98 | Very high | 6 Ų | 6 | 17.8 Ų | 17.8 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.9 | -47 | 173.8 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | P226 R252 I253 A254 A258 R259 D260 G492 | P226-C256 HydrophobicContact CB-CB 3.86Å; R252-C256 PolarHBondContact O-N 2.89Å; R252-C256 PolarHBondContact O-SG 2.89Å; R252-C256 VanDerWaalsContact O-SG 3.37Å; I253-C256 WeakPolarHBondContact O-CB 3.48Å; I253-C256 PolarHBondContact O-N 3.44Å; A254-C256 VanDerWaalsContact C-N 3.32Å; A254-C256 PolarHBondContact O-N 2.74Å; C256-A258 PolarHBondContact O-N 2.82Å; C256-R259 WeakPolarHBondContact O-CB 3.46Å; C256-R259 PolarHBondContact O-N 2.81Å; C256-D260 PolarHBondContact O-N 3.32Å; C256-G492 VanDerWaalsContact SG-C 3.51Å; C256-G492 PolarHBondContact SG-O 2.87Å |
| 257 | I | 97.5 | Very high | 98 | Very high | 10 Ų | 10 | 17.4 Ų | 17.4 | 5% | 0.051 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.4 | -39.8 | 176.1 | -63.7 | 171.7 | 0 | 0 | 0 | 110.5 | I253 A254 D260 E261 W263 | I253-I257 HydrophobicContact CG2-CD1 3.78Å; I253-I257 HydrophobicContact CG2-CG1 4.4Å; I253-I257 WeakPolarHBondContact O-CG1 3.45Å; I253-I257 PolarHBondContact O-N 3.26Å; I253-I257 VanDerWaalsContact O-N 3.08Å; A254-I257 CarbonylContact O-C 3.57Å; A254-I257 PolarHBondContact O-N 2.81Å; I257-D260 PolarHBondContact O-N 2.99Å; I257-E261 VanDerWaalsContact CG2-CD 3.46Å; I257-E261 HydrophobicContact CG2-CG 4.28Å; I257-E261 VanDerWaalsContact CG2-OE1 3.3Å; I257-E261 WeakPolarHBondContact CG2-OE1 3.44Å; I257-E261 VanDerWaalsContact O-CB 3.29Å; I257-E261 WeakPolarHBondContact O-CB 3.44Å; I257-E261 WeakPolarHBondContact O-CG 3.42Å; I257-E261 PolarHBondContact O-N 3.41Å; I257-W263 HydrophobicContact CB-CZ2 4.13Å; I257-W263 HydrophobicContact CG2-CZ2 3.68Å |
| 258 | A | 98.1 | Very high | 98.1 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.5 | -43.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A254 G255 C256 G262 W263 A265 H501 | A254-A258 WeakPolarHBondContact O-CB 3.39Å; A254-A258 PolarHBondContact O-N 3.21Å; G255-A258 PolarHBondContact O-N 3.46Å; C256-A258 PolarHBondContact O-N 2.82Å; A258-G262 PolarHBondContact O-N 3.06Å; A258-W263 CarbonylContact C-O 3.57Å; A258-W263 VanDerWaalsContact C-O 3.27Å; A258-W263 HydrophobicContact CB-CD2 3.48Å; A258-W263 VanDerWaalsContact CB-CD2 3.48Å; A258-W263 HydrophobicContact CB-CE3 3.54Å; A258-W263 HydrophobicContact CB-CG 4.06Å; A258-W263 HydrophobicContact CB-CH2 3.92Å; A258-W263 HydrophobicContact CB-CZ2 3.89Å; A258-W263 HydrophobicContact CB-CZ3 3.75Å; A258-W263 VanDerWaalsContact CB-O 3.26Å; A258-W263 WeakPolarHBondContact CB-O 3.27Å; A258-W263 PolarHBondContact O-N 3.13Å; A258-A265 HydrophobicContact CB-CB 4.1Å; A258-H501 PolarHBondContact O-NE2 3.34Å |
| 259 | R | 97.3 | Very high | 98.1 | Very high | 83 Ų | 83 | 17 Ų | 17 | 31% | 0.313 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -55.7 | -52.6 | 169.6 | -178.5 | -162.1 | 65.5 | -161.8 | -1.8 | 111.2 | G255 C256 E261 Y493 | G255-R259 PolarHBondContact O-N 2.84Å; C256-R259 WeakPolarHBondContact O-CB 3.46Å; C256-R259 PolarHBondContact O-N 2.81Å; R259-E261 VanDerWaalsContact C-N 3.3Å; R259-E261 PolarHBondContact O-N 3.1Å; R259-Y493 HydrophobicContact CB-CE1 4.08Å; R259-Y493 HydrophobicContact CB-CE2 4.32Å; R259-Y493 HydrophobicContact CG-CE2 4.1Å |
| 260 | D | 96.7 | Very high | 98.1 | Very high | 111 Ų | 111 | 17 Ų | 17 | 59% | 0.594 | 9% | 0.093 | S | C | * | . | H | α-helix | trans | -67.9 | -30.2 | -173 | -61.4 | -14.6 | 0 | 0 | 0 | 112.6 | C256 I257 | C256-D260 PolarHBondContact O-N 3.32Å; I257-D260 PolarHBondContact O-N 2.99Å |
| 261 | E | 96.4 | Very high | 98.1 | Very high | 72 Ų | 72 | 17 Ų | 17 | 34% | 0.336 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -107.2 | 7 | -176.1 | -63.5 | 174.8 | -175.2 | 0 | 0 | 114.2 | K157 I257 R259 W263 R319 | K157-E261 IonicContact NZ-OE1 3.16Å; K157-E261 PolarHBondContact NZ-OE1 3.39Å; K157-E261 IonicContact NZ-OE2 3.33Å; K157-E261 PolarHBondContact NZ-OE2 2.95Å; I257-E261 VanDerWaalsContact CG2-CD 3.46Å; I257-E261 HydrophobicContact CG2-CG 4.28Å; I257-E261 VanDerWaalsContact CG2-OE1 3.3Å; I257-E261 WeakPolarHBondContact CG2-OE1 3.44Å; I257-E261 VanDerWaalsContact O-CB 3.29Å; I257-E261 WeakPolarHBondContact O-CB 3.44Å; I257-E261 WeakPolarHBondContact O-CG 3.42Å; I257-E261 PolarHBondContact O-N 3.41Å; R259-E261 VanDerWaalsContact C-N 3.3Å; R259-E261 PolarHBondContact O-N 3.1Å; E261-W263 VanDerWaalsContact CB-CD1 3.48Å; E261-W263 PolarHBondContact OE2-NE1 3.39Å; E261-R319 PolarHBondContact O-NH2 3.44Å |
| 262 | G | 96.9 | Very high | 98.1 | Very high | 43 Ų | 43 | 17 Ų | 17 | 44% | 0.443 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 38.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | A258 | A258-G262 PolarHBondContact O-N 3.06Š|
| 263 | W | 97.9 | Very high | 98.2 | Very high | 10 Ų | 10 | 16.6 Ų | 16.6 | 4% | 0.038 | 9% | 0.092 | C | C | . | . | trans | -134.5 | -176.9 | 174.6 | 59.6 | -84.6 | 0 | 0 | 0 | 111.3 | A254 I257 A258 E261 A265 W317 M318 R319 H501 | A254-W263 HydrophobicContact CB-CH2 4.06Å; I257-W263 HydrophobicContact CB-CZ2 4.13Å; I257-W263 HydrophobicContact CG2-CZ2 3.68Å; A258-W263 CarbonylContact C-O 3.57Å; A258-W263 VanDerWaalsContact C-O 3.27Å; A258-W263 HydrophobicContact CB-CD2 3.48Å; A258-W263 VanDerWaalsContact CB-CD2 3.48Å; A258-W263 HydrophobicContact CB-CE3 3.54Å; A258-W263 HydrophobicContact CB-CG 4.06Å; A258-W263 HydrophobicContact CB-CH2 3.92Å; A258-W263 HydrophobicContact CB-CZ2 3.89Å; A258-W263 HydrophobicContact CB-CZ3 3.75Å; A258-W263 VanDerWaalsContact CB-O 3.26Å; A258-W263 WeakPolarHBondContact CB-O 3.27Å; A258-W263 PolarHBondContact O-N 3.13Å; E261-W263 VanDerWaalsContact CB-CD1 3.48Å; E261-W263 PolarHBondContact OE2-NE1 3.39Å; W263-A265 HydrophobicContact CE3-CB 4.49Å; W263-A265 HydrophobicContact CH2-CB 4.2Å; W263-A265 HydrophobicContact CZ3-CB 3.69Å; W263-W317 HydrophobicContact CE3-CB 4.28Å; W263-W317 HydrophobicContact CE3-CG 4.45Å; W263-W317 AromaticContact CH2-CD2 3.98Å; W263-W317 HydrophobicContact CH2-CD2 3.98Å; W263-W317 HydrophobicContact CH2-CE3 4.37Å; W263-W317 HydrophobicContact CH2-CG 4.16Å; W263-W317 HydrophobicContact CZ3-CB 3.82Å; W263-W317 AromaticContact CZ3-CD1 3.76Å; W263-W317 AromaticContact CZ3-CD2 3.86Å; W263-W317 HydrophobicContact CZ3-CD2 3.86Å; W263-W317 HydrophobicContact CZ3-CE3 4.48Å; W263-W317 AromaticContact CZ3-CG 3.54Å; W263-W317 HydrophobicContact CZ3-CG 3.54Å; W263-M318 WeakPolarHBondContact CB-O 3.46Å; W263-R319 HydrophobicContact CB-CB 3.84Å; W263-R319 HydrophobicContact CB-CG 4.19Å; W263-H501 PolarHBondContact O-NE2 2.64Å | ||
| 264 | L | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.8 | -175.9 | -62.7 | 174.1 | 0 | 0 | 0 | 111.9 | E266 W317 M318 W502 M505 | L264-E266 HydrophobicContact CB-CG 3.96Å; L264-W317 CarbonylContact O-C 3.49Å; L264-W317 WeakPolarHBondContact O-CA 3.39Å; L264-M318 HydrophobicContact CB-CB 4.33Å; L264-M318 HydrophobicContact CB-CE 4.17Å; L264-M318 HydrophobicContact CD1-CE 4.13Å; L264-M318 PolarHBondContact N-O 3.17Å; L264-M318 PolarHBondContact O-N 3.18Å; L264-W502 HydrophobicContact CD1-CD2 4.39Å; L264-W502 HydrophobicContact CD1-CH2 4.17Å; L264-W502 HydrophobicContact CD1-CZ2 4.02Å; L264-W502 HydrophobicContact CD1-CZ3 4.42Å; L264-W502 HydrophobicContact CD2-CD2 4.35Å; L264-W502 HydrophobicContact CD2-CG 4.37Å; L264-M505 HydrophobicContact CD1-CG 4.47Å; L264-M505 HydrophobicContact CD2-CE 3.75Å; L264-M505 HydrophobicContact CG-CE 3.98Å |
| 265 | A | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 106.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | A254 A258 W263 | A254-A265 HydrophobicContact CB-CB 3.8Å; A258-A265 HydrophobicContact CB-CB 4.1Å; W263-A265 HydrophobicContact CE3-CB 4.49Å; W263-A265 HydrophobicContact CH2-CB 4.2Å; W263-A265 HydrophobicContact CZ3-CB 3.69Å |
| 266 | E | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 1% | 0.014 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 147.3 | -159.3 | -58.6 | -56.7 | 155.1 | 0 | 0 | 113 | L251 L264 M268 I315 A316 M318 Y498 W502 | L251-E266 WeakPolarHBondContact CD2-O 3.38Å; L264-E266 HydrophobicContact CB-CG 3.96Å; E266-M268 HydrophobicContact CB-CB 4.3Å; E266-M268 HydrophobicContact CB-CE 4.17Å; E266-M268 HydrophobicContact CB-CG 3.79Å; E266-M268 HydrophobicContact CB-SD 3.81Å; E266-M268 HydrophobicContact CG-CE 4.34Å; E266-M268 HydrophobicContact CG-SD 4.29Å; E266-M268 PolarHBondContact O-N 3.04Å; E266-I315 WeakPolarHBondContact O-CA 3.5Å; E266-A316 PolarHBondContact N-O 2.71Å; E266-A316 PolarHBondContact O-N 2.8Å; E266-M318 HydrophobicContact CB-CE 4.04Å; E266-M318 HydrophobicContact CG-CE 3.49Å; E266-M318 VanDerWaalsContact CG-CE 3.49Å; E266-Y498 PolarHBondContact OE1-OH 3.42Å; E266-Y498 PolarHBondContact OE2-OH 2.65Å; E266-W502 VanDerWaalsContact CD-CZ2 3.5Å; E266-W502 HydrophobicContact CG-CZ2 3.87Å; E266-W502 PolarHBondContact OE1-NE1 3.45Å |
| 267 | H | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -78.4 | 60.9 | 174.1 | -177.6 | -147.3 | 0 | 0 | 0 | 111.1 | K247 L251 K293 D314 A486 M487 F490 | K247-H267 PolarHBondContact NZ-CD2 3.47Å; K247-H267 PolarHBondContact NZ-NE2 3.49Å; K247-H267 VanDerWaalsContact NZ-NE2 3.18Å; L251-H267 HydrophobicContact CD1-CB 4.08Å; L251-H267 HydrophobicContact CD2-CB 4.31Å; H267-K293 PolarHBondContact CE1-NZ 2.97Å; H267-K293 WeakPolarHBondContact NE2-CE 3.31Å; H267-K293 PolarHBondContact NE2-NZ 2.93Å; H267-D314 CarbonylContact C-O 3.51Å; H267-D314 VanDerWaalsContact C-O 3.28Å; H267-D314 WeakPolarHBondContact CA-O 3.15Å; H267-D314 PolarHBondContact CD2-O 2.93Å; H267-D314 VanDerWaalsContact CD2-O 3.26Å; H267-D314 IonicContact CD2-OD1 3.47Å; H267-D314 PolarHBondContact CD2-OD1 2.87Å; H267-D314 VanDerWaalsContact CD2-OD1 3.26Å; H267-D314 IonicContact NE2-OD1 3.4Å; H267-D314 PolarHBondContact NE2-OD1 2.68Å; H267-D314 VanDerWaalsContact NE2-OD1 3.09Å; H267-A486 PolarHBondContact ND1-O 3.24Å; H267-M487 HydrophobicContact CB-CG 4.42Å; H267-M487 HydrophobicContact CB-SD 3.66Å; H267-F490 HydrophobicContact CB-CD2 4.28Å; H267-F490 AromaticContact CE1-CE2 3.5Å; H267-F490 VanDerWaalsContact CE1-CE2 3.5Å; H267-F490 WeakPolarHBondContact CE1-CE2 3.47Å; H267-F490 AromaticContact CG-CE2 3.91Å; H267-F490 AromaticContact ND1-CD2 3.89Å; H267-F490 AromaticContact ND1-CE2 3.47Å; H267-F490 WeakPolarHBondContact ND1-CE2 3.37Å; H267-F490 AromaticContact NE2-CE2 3.94Å |
| 268 | M | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -121.2 | 140.5 | -173.1 | -70.2 | -179.7 | -179.6 | 0 | 0 | 112.2 | E266 A284 A285 A286 D314 I315 A316 M318 I436 F438 W502 | E266-M268 HydrophobicContact CB-CB 4.3Å; E266-M268 HydrophobicContact CB-CE 4.17Å; E266-M268 HydrophobicContact CB-CG 3.79Å; E266-M268 HydrophobicContact CB-SD 3.81Å; E266-M268 HydrophobicContact CG-CE 4.34Å; E266-M268 HydrophobicContact CG-SD 4.29Å; E266-M268 PolarHBondContact O-N 3.04Å; M268-A284 HydrophobicContact CB-CB 4.37Å; M268-A284 HydrophobicContact SD-CB 3.88Å; M268-A285 VanDerWaalsContact CA-O 3.22Å; M268-A285 WeakPolarHBondContact CA-O 3.33Å; M268-A286 HydrophobicContact CE-CB 3.68Å; M268-A286 HydrophobicContact CG-CB 3.62Å; M268-A286 HydrophobicContact SD-CB 4.49Å; M268-D314 PolarHBondContact N-O 2.88Å; M268-D314 CarbonylContact O-C 3.57Å; M268-I315 CarbonylContact O-C 3.56Å; M268-I315 WeakPolarHBondContact O-CA 3.47Å; M268-I315 PolarHBondContact O-N 2.93Å; M268-I315 VanDerWaalsContact O-N 3.09Å; M268-A316 HydrophobicContact CB-CB 3.83Å; M268-A316 PolarHBondContact O-N 3.27Å; M268-M318 HydrophobicContact CE-CE 4.49Å; M268-M318 HydrophobicContact SD-CE 3.66Å; M268-M318 HydrophobicContact SD-SD 4.38Å; M268-I436 HydrophobicContact CE-CG2 3.73Å; M268-I436 HydrophobicContact SD-CG2 4.33Å; M268-F438 HydrophobicContact CE-CE1 4.02Å; M268-F438 HydrophobicContact CE-CZ 4.27Å; M268-W502 HydrophobicContact CE-CH2 3.82Å; M268-W502 HydrophobicContact CE-CZ2 4Å | ||
| 269 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 161.7 | 157.8 | 70.3 | 92 | 0 | 0 | 0 | 110.3 | M271 A284 A285 F287 K293 M296 A297 G312 | L269-M271 HydrophobicContact CD1-CB 4.12Å; L269-M271 HydrophobicContact CD1-CG 3.86Å; L269-M271 HydrophobicContact CD1-SD 4Å; L269-A284 WeakPolarHBondContact O-CA 3.32Å; L269-A285 HydrophobicContact CD1-CB 4.14Å; L269-A285 HydrophobicContact CD2-CB 3.85Å; L269-A285 HydrophobicContact CG-CB 3.8Å; L269-A285 PolarHBondContact N-O 3.43Å; L269-A285 PolarHBondContact O-N 2.91Å; L269-A285 VanDerWaalsContact O-N 3.11Å; L269-F287 HydrophobicContact CD2-CE2 4.33Å; L269-K293 HydrophobicContact CB-CB 4.37Å; L269-K293 HydrophobicContact CD2-CB 3.91Å; L269-K293 HydrophobicContact CD2-CG 4.22Å; L269-K293 VanDerWaalsContact CD2-O 3.3Å; L269-K293 WeakPolarHBondContact CD2-O 3.34Å; L269-M296 HydrophobicContact CD2-CB 3.7Å; L269-M296 HydrophobicContact CD2-CG 4.01Å; L269-A297 HydrophobicContact CB-CB 3.95Å; L269-A297 HydrophobicContact CD1-CB 4.35Å; L269-A297 HydrophobicContact CD2-CB 4.42Å; L269-A297 HydrophobicContact CG-CB 4.48Å; L269-G312 CarbonylContact C-O 3.6Å; L269-G312 WeakPolarHBondContact CA-O 3.44Å; L269-G312 WeakPolarHBondContact CB-O 3.43Å |
| 270 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127 | 167.5 | -52.5 | 163.1 | 0 | 0 | 0 | 108.2 | I283 V311 G312 A316 A328 I329 V431 I433 | I270-I283 WeakPolarHBondContact CA-O 3.18Å; I270-V311 HydrophobicContact CB-CB 3.83Å; I270-V311 HydrophobicContact CB-CG1 3.93Å; I270-V311 HydrophobicContact CD1-CG1 4.16Å; I270-V311 HydrophobicContact CG2-CB 3.71Å; I270-V311 HydrophobicContact CG2-CG1 3.83Å; I270-V311 HydrophobicContact CG2-CG2 4.18Å; I270-V311 WeakPolarHBondContact O-CB 3.46Å; I270-V311 PolarHBondContact O-N 3.29Å; I270-G312 PolarHBondContact N-O 3.03Å; I270-G312 PolarHBondContact O-N 3.47Å; I270-G312 VanDerWaalsContact O-N 3.1Å; I270-G312 VanDerWaalsContact O-O 3.09Å; I270-A316 HydrophobicContact CD1-CB 3.7Å; I270-A316 HydrophobicContact CG1-CB 3.76Å; I270-A328 HydrophobicContact CD1-CB 3.68Å; I270-A328 HydrophobicContact CG1-CB 4.28Å; I270-I329 WeakPolarHBondContact CD1-O 3.4Å; I270-V431 HydrophobicContact CG2-CG2 3.71Å; I270-I433 HydrophobicContact CG2-CD1 4.03Å |
| 271 | M | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.9 | 176.7 | 65.7 | -174.4 | -73.1 | 0 | 0 | 111.3 | L269 V273 F282 I283 M296 V308 Q309 | L269-M271 HydrophobicContact CD1-CB 4.12Å; L269-M271 HydrophobicContact CD1-CG 3.86Å; L269-M271 HydrophobicContact CD1-SD 4Å; M271-V273 HydrophobicContact CE-CG2 3.42Å; M271-V273 VanDerWaalsContact CE-CG2 3.42Å; M271-V273 HydrophobicContact CG-CG2 4.31Å; M271-V273 HydrophobicContact SD-CG2 4.44Å; M271-F282 CarbonylContact O-C 3.52Å; M271-F282 VanDerWaalsContact O-CA 3.3Å; M271-F282 WeakPolarHBondContact O-CA 3.35Å; M271-I283 HydrophobicContact CG-CB 4.11Å; M271-I283 PolarHBondContact N-O 2.94Å; M271-I283 PolarHBondContact O-N 3.39Å; M271-M296 HydrophobicContact CE-CE 3.6Å; M271-M296 HydrophobicContact SD-CE 3.53Å; M271-M296 VanDerWaalsContact SD-CE 3.53Å; M271-M296 HydrophobicContact SD-CG 3.92Å; M271-V308 HydrophobicContact CE-CB 4.19Å; M271-V308 HydrophobicContact CE-CG1 3.41Å; M271-V308 VanDerWaalsContact CE-CG1 3.41Å; M271-V308 HydrophobicContact CE-CG2 3.68Å; M271-Q309 CarbonylContact C-O 3.48Å; M271-Q309 WeakPolarHBondContact CA-O 3.47Å |
| 272 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 148 | 164.1 | 94.3 | 0 | 0 | 0 | 0 | 110.3 | E280 K281 V308 Q309 H422 | S272-E280 WeakPolarHBondContact CB-OE1 3.1Å; S272-E280 PolarHBondContact OG-OE1 3.48Å; S272-K281 WeakPolarHBondContact CA-O 3.46Å; S272-V308 WeakPolarHBondContact O-CA 3.39Å; S272-Q309 PolarHBondContact N-O 3.4Å; S272-Q309 PolarHBondContact O-N 2.75Å; S272-H422 PolarHBondContact OG-CD2 3.03Å |
| 273 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 117.8 | 178.8 | -170.2 | 0 | 0 | 0 | 0 | 108.1 | M271 E280 K281 I283 W306 K307 V308 I538 I541 L545 | M271-V273 HydrophobicContact CE-CG2 3.42Å; M271-V273 VanDerWaalsContact CE-CG2 3.42Å; M271-V273 HydrophobicContact CG-CG2 4.31Å; M271-V273 HydrophobicContact SD-CG2 4.44Å; V273-E280 WeakPolarHBondContact O-CA 3.46Å; V273-K281 PolarHBondContact N-O 2.98Å; V273-K281 PolarHBondContact O-N 2.61Å; V273-I283 HydrophobicContact CG2-CD1 4.1Å; V273-W306 HydrophobicContact CG1-CE3 3.71Å; V273-W306 HydrophobicContact CG1-CZ3 3.74Å; V273-K307 WeakPolarHBondContact CA-O 3.49Å; V273-V308 HydrophobicContact CG1-CG2 4.35Å; V273-V308 HydrophobicContact CG2-CG2 4.32Å; V273-I538 HydrophobicContact CG1-CD1 3.96Å; V273-I541 HydrophobicContact CB-CG2 4.34Å; V273-I541 HydrophobicContact CG1-CG2 3.94Å; V273-I541 HydrophobicContact CG2-CG2 3.98Å; V273-L545 HydrophobicContact CB-CD1 3.96Å; V273-L545 HydrophobicContact CG1-CD1 3.84Å |
| 274 | T | 98.6 | Very high | 98.4 | Very high | 26 Ų | 26 | 28.5 Ų | 28.5 | 16% | 0.16 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.1 | 174 | -44.5 | 0 | 0 | 0 | 0 | 109.1 | E279 K307 | T274-E279 WeakPolarHBondContact CA-O 3.28Å; T274-K307 PolarHBondContact N-O 2.87Å; T274-K307 PolarHBondContact O-N 3.37Å |
| 275 | N | 97.7 | Very high | 98.4 | Very high | 20 Ų | 20 | 28.4 Ų | 28.4 | 11% | 0.107 | 15% | 0.154 | C | C | . | . | trans | -79.5 | 170.7 | 176.5 | 74.6 | 12.2 | 0 | 0 | 0 | 111.7 | K277 G278 E279 W306 | N275-K277 PolarHBondContact O-N 3.21Å; N275-K277 WeakPolarHBondContact OD1-CA 3.19Å; N275-K277 WeakPolarHBondContact OD1-CB 3.4Å; N275-K277 PolarHBondContact OD1-N 2.97Å; N275-G278 PolarHBondContact O-N 3.43Å; N275-G278 PolarHBondContact OD1-N 3.26Å; N275-E279 PolarHBondContact N-O 3.33Å; N275-E279 PolarHBondContact ND2-OE2 2.84Å; N275-E279 WeakPolarHBondContact OD1-CB 3.36Å; N275-E279 PolarHBondContact OD1-N 3.24Å; N275-W306 HydrophobicContact CB-CE3 4.21Å; N275-W306 HydrophobicContact CB-CH2 3.6Å; N275-W306 HydrophobicContact CB-CZ2 4.15Å; N275-W306 HydrophobicContact CB-CZ3 3.64Å | ||
| 276 | P | 97.3 | Very high | 98.4 | Very high | 82 Ų | 82 | 28.3 Ų | 28.3 | 53% | 0.532 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -12.9 | 178.9 | -27.4 | 36.2 | 0 | 0 | 0 | 115.7 | G305 W306 | P276-G305 WeakPolarHBondContact CA-O 3.5Å; P276-W306 HydrophobicContact CG-CG 4.47Å |
| 277 | K | 96.5 | Very high | 98.3 | Very high | 174 Ų | 174 | 28.3 Ų | 28.3 | 76% | 0.757 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -2 | 175.2 | -57.9 | 177.8 | -178.2 | 173.9 | 0 | 112.8 | N275 E279 | N275-K277 PolarHBondContact O-N 3.21Å; N275-K277 WeakPolarHBondContact OD1-CA 3.19Å; N275-K277 WeakPolarHBondContact OD1-CB 3.4Å; N275-K277 PolarHBondContact OD1-N 2.97Å; K277-E279 HydrophobicContact CB-CG 4.34Å |
| 278 | G | 97.1 | Very high | 98.1 | Very high | 57 Ų | 57 | 28.5 Ų | 28.5 | 59% | 0.588 | 16% | 0.155 | S | C | * | . | S | Bend | trans | 83.5 | 10.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N275 | N275-G278 PolarHBondContact O-N 3.43Å; N275-G278 PolarHBondContact OD1-N 3.26Å |
| 279 | E | 97.4 | Very high | 97.6 | Very high | 86 Ų | 86 | 29.1 Ų | 29.1 | 40% | 0.402 | 16% | 0.159 | S | C | . | . | trans | -85.2 | 121.5 | 178.3 | -56.6 | 168.9 | 164.2 | 0 | 0 | 109.8 | T274 N275 K277 | T274-E279 WeakPolarHBondContact CA-O 3.28Å; N275-E279 PolarHBondContact N-O 3.33Å; N275-E279 PolarHBondContact ND2-OE2 2.84Å; N275-E279 WeakPolarHBondContact OD1-CB 3.36Å; N275-E279 PolarHBondContact OD1-N 3.24Å; K277-E279 HydrophobicContact CB-CG 4.34Å | ||
| 280 | E | 98.4 | Very high | 97 | Very high | 74 Ų | 74 | 31 Ų | 31 | 35% | 0.346 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.5 | 178.3 | -177.2 | 177.9 | -122.3 | 0 | 0 | 111.8 | S272 V273 F282 H422 | S272-E280 WeakPolarHBondContact CB-OE1 3.1Å; S272-E280 PolarHBondContact OG-OE1 3.48Å; V273-E280 WeakPolarHBondContact O-CA 3.46Å; E280-F282 HydrophobicContact CG-CE2 4.16Å; E280-F282 HydrophobicContact CG-CZ 4.44Å; E280-H422 IonicContact OE1-CD2 3.94Å; E280-H422 IonicContact OE1-NE2 3.14Å; E280-H422 PolarHBondContact OE1-NE2 3Å; E280-H422 IonicContact OE2-NE2 2.73Å |
| 281 | K | 98.5 | Very high | 96.6 | Very high | 61 Ų | 61 | 31 Ų | 31 | 27% | 0.265 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 151.5 | 170.4 | -61.5 | -70 | -175.9 | 172.2 | 0 | 109.9 | S272 V273 L545 N549 | S272-K281 WeakPolarHBondContact CA-O 3.46Å; V273-K281 PolarHBondContact N-O 2.98Å; V273-K281 PolarHBondContact O-N 2.61Å; K281-L545 HydrophobicContact CB-CD2 3.63Å; K281-L545 HydrophobicContact CG-CD2 4Å; K281-N549 VanDerWaalsContact CE-OD1 3.29Å; K281-N549 WeakPolarHBondContact CE-OD1 3.24Å; K281-N549 PolarHBondContact NZ-OD1 3.38Å |
| 282 | F | 98.8 | Very high | 96.3 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 140.2 | 174.6 | -62.6 | -99.4 | 0 | 0 | 0 | 111.1 | M271 E280 V311 H422 V431 P432 I433 S434 | M271-F282 CarbonylContact O-C 3.52Å; M271-F282 VanDerWaalsContact O-CA 3.3Å; M271-F282 WeakPolarHBondContact O-CA 3.35Å; E280-F282 HydrophobicContact CG-CE2 4.16Å; E280-F282 HydrophobicContact CG-CZ 4.44Å; F282-V311 HydrophobicContact CD1-CG2 4.34Å; F282-V311 HydrophobicContact CE1-CG2 4.13Å; F282-H422 AromaticContact CE1-CE1 3.93Å; F282-H422 AromaticContact CZ-CE1 3.66Å; F282-H422 AromaticContact CZ-NE2 3.74Å; F282-V431 HydrophobicContact CB-CG2 4.27Å; F282-V431 HydrophobicContact CD1-CB 3.49Å; F282-V431 VanDerWaalsContact CD1-CB 3.49Å; F282-V431 HydrophobicContact CD1-CG1 3.93Å; F282-V431 HydrophobicContact CD1-CG2 3.48Å; F282-V431 VanDerWaalsContact CD1-CG2 3.48Å; F282-V431 HydrophobicContact CD2-CB 4.14Å; F282-V431 HydrophobicContact CE1-CB 3.59Å; F282-V431 HydrophobicContact CE1-CG1 3.5Å; F282-V431 VanDerWaalsContact CE1-CG1 3.5Å; F282-V431 HydrophobicContact CE1-CG2 3.98Å; F282-V431 HydrophobicContact CE2-CB 4.26Å; F282-V431 HydrophobicContact CG-CB 3.78Å; F282-V431 HydrophobicContact CG-CG2 3.92Å; F282-V431 HydrophobicContact CZ-CB 4Å; F282-V431 HydrophobicContact CZ-CG1 3.88Å; F282-P432 WeakPolarHBondContact CB-O 3.49Å; F282-P432 HydrophobicContact CD2-CG 4.1Å; F282-P432 HydrophobicContact CE2-CG 4.47Å; F282-I433 HydrophobicContact CB-CD1 4.14Å; F282-S434 PolarHBondContact O-N 3.02Å |
| 283 | I | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.5 | -177.5 | -59.2 | 179.5 | 0 | 0 | 0 | 108.3 | I270 M271 V273 A435 I437 I541 L545 | I270-I283 WeakPolarHBondContact CA-O 3.18Å; M271-I283 HydrophobicContact CG-CB 4.11Å; M271-I283 PolarHBondContact N-O 2.94Å; M271-I283 PolarHBondContact O-N 3.39Å; V273-I283 HydrophobicContact CG2-CD1 4.1Å; I283-A435 WeakPolarHBondContact CA-O 3.19Å; I283-A435 HydrophobicContact CG1-CB 4.37Å; I283-I437 HydrophobicContact CG2-CD1 3.51Å; I283-I437 HydrophobicContact CG2-CG1 3.79Å; I283-I541 HydrophobicContact CD1-CD1 4.32Å; I283-I541 HydrophobicContact CD1-CG2 3.72Å; I283-L545 HydrophobicContact CD1-CD2 3.95Å; I283-L545 HydrophobicContact CG1-CD2 4.37Å |
| 284 | A | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 143.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | M268 L269 M318 I433 A435 I436 I437 | M268-A284 HydrophobicContact CB-CB 4.37Å; M268-A284 HydrophobicContact SD-CB 3.88Å; L269-A284 WeakPolarHBondContact O-CA 3.32Å; A284-M318 HydrophobicContact CB-SD 4.26Å; A284-I433 HydrophobicContact CB-CD1 4.19Å; A284-I433 HydrophobicContact CB-CG2 4.16Å; A284-A435 PolarHBondContact N-O 3.49Å; A284-I436 HydrophobicContact CB-CG1 4.48Å; A284-I436 CarbonylContact O-C 3.55Å; A284-I436 VanDerWaalsContact O-CA 3.29Å; A284-I436 WeakPolarHBondContact O-CA 3.45Å; A284-I437 PolarHBondContact O-N 3.37Å |
| 285 | A | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 126.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | M268 L269 F287 I437 | M268-A285 VanDerWaalsContact CA-O 3.22Å; M268-A285 WeakPolarHBondContact CA-O 3.33Å; L269-A285 HydrophobicContact CD1-CB 4.14Å; L269-A285 HydrophobicContact CD2-CB 3.85Å; L269-A285 HydrophobicContact CG-CB 3.8Å; L269-A285 PolarHBondContact N-O 3.43Å; L269-A285 PolarHBondContact O-N 2.91Å; L269-A285 VanDerWaalsContact O-N 3.11Å; A285-F287 HydrophobicContact CB-CE1 4.12Å; A285-F287 HydrophobicContact CB-CE2 4.11Å; A285-F287 HydrophobicContact CB-CZ 3.73Å; A285-I437 CarbonylContact C-O 3.6Å; A285-I437 WeakPolarHBondContact CA-O 3.39Å; A285-I437 HydrophobicContact CB-CB 3.81Å |
| 286 | A | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 104.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | M268 I437 F438 G439 A486 | M268-A286 HydrophobicContact CE-CB 3.68Å; M268-A286 HydrophobicContact CG-CB 3.62Å; M268-A286 HydrophobicContact SD-CB 4.49Å; A286-I437 PolarHBondContact N-O 2.88Å; A286-F438 HydrophobicContact CB-CD1 3.71Å; A286-F438 HydrophobicContact CB-CE1 3.77Å; A286-G439 PolarHBondContact O-N 2.65Å; A286-A486 HydrophobicContact CB-CB 4.12Å |
| 287 | F | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | trans | -119.8 | 144.1 | 168.2 | -44.4 | -42.3 | 0 | 0 | 0 | 109.4 | L269 A285 C291 K293 M296 I437 G439 A486 V518 | L269-F287 HydrophobicContact CD2-CE2 4.33Å; A285-F287 HydrophobicContact CB-CE1 4.12Å; A285-F287 HydrophobicContact CB-CE2 4.11Å; A285-F287 HydrophobicContact CB-CZ 3.73Å; F287-C291 HydrophobicContact CB-CB 3.86Å; F287-K293 HydrophobicContact CB-CG 3.78Å; F287-K293 HydrophobicContact CD2-CG 3.79Å; F287-K293 HydrophobicContact CG-CG 4.1Å; F287-K293 WeakPolarHBondContact O-CD 3.47Å; F287-K293 PolarHBondContact O-NZ 2.76Å; F287-M296 HydrophobicContact CE2-CB 4.26Å; F287-M296 HydrophobicContact CE2-CG 4.36Å; F287-I437 HydrophobicContact CE1-CG2 4.01Å; F287-I437 HydrophobicContact CZ-CG2 4.18Å; F287-G439 WeakPolarHBondContact CA-O 3.29Å; F287-G439 WeakPolarHBondContact CD1-O 3.48Å; F287-A486 VanDerWaalsContact C-CB 3.44Å; F287-V518 HydrophobicContact CE1-CG2 3.64Å; F287-V518 HydrophobicContact CZ-CG2 3.83Å | ||
| 288 | P | 94.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.032 | 13% | 0.13 | C | C | . | . | trans | -52.2 | 165.7 | 171.9 | -31.7 | 39.5 | 0 | 0 | 0 | 113.4 | A290 C291 G439 L465 D483 A486 | P288-A290 PolarHBondContact O-N 3.15Å; P288-C291 HydrophobicContact CB-CB 4.47Å; P288-C291 VanDerWaalsContact O-CB 3.31Å; P288-C291 WeakPolarHBondContact O-CB 3.32Å; P288-C291 PolarHBondContact O-N 2.93Å; P288-C291 VanDerWaalsContact O-N 3.14Å; P288-G439 WeakPolarHBondContact CD-O 3.39Å; P288-L465 HydrophobicContact CG-CD2 3.61Å; P288-D483 HydrophobicContact CB-CB 4.48Å; P288-D483 VanDerWaalsContact CB-OD2 3.32Å; P288-D483 WeakPolarHBondContact CB-OD2 3.42Å; P288-D483 HydrophobicContact CG-CB 3.89Å; P288-A486 HydrophobicContact CG-CB 4.18Å | ||
| 289 | S | 89 | Confident | 96.2 | Very high | 13 Ų | 13 | 18.9 Ų | 18.9 | 9% | 0.091 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 137.7 | 177.5 | -69.8 | 0 | 0 | 0 | 0 | 110.9 | C291 T470 | S289-C291 VanDerWaalsContact C-N 3.25Å; S289-C291 PolarHBondContact O-N 3.14Å; S289-T470 WeakPolarHBondContact O-CG2 3.26Å; S289-T470 PolarHBondContact O-OG1 2.92Å |
| 290 | A | 85.2 | Confident | 96.2 | Very high | 39 Ų | 39 | 20.1 Ų | 20.1 | 32% | 0.322 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 24.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | P288 R441 T470 | P288-A290 PolarHBondContact O-N 3.15Å; A290-R441 PolarHBondContact O-NE 3Å; A290-R441 PolarHBondContact O-NH2 2.83Å; A290-T470 HydrophobicContact CB-CG2 4.06Å |
| 291 | C | 90.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -106.5 | 19.7 | 173.9 | -62.2 | 0 | 0 | 0 | 0 | 114.1 | F287 P288 S289 S467 | F287-C291 HydrophobicContact CB-CB 3.86Å; P288-C291 HydrophobicContact CB-CB 4.47Å; P288-C291 VanDerWaalsContact O-CB 3.31Å; P288-C291 WeakPolarHBondContact O-CB 3.32Å; P288-C291 PolarHBondContact O-N 2.93Å; P288-C291 VanDerWaalsContact O-N 3.14Å; S289-C291 VanDerWaalsContact C-N 3.25Å; S289-C291 PolarHBondContact O-N 3.14Å; C291-S467 PolarHBondContact SG-OG 3.4Å |
| 292 | G | 91.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 17.4 Ų | 17.4 | 17% | 0.165 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 98.6 | 15.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | N295 M296 | G292-N295 PolarHBondContact O-N 3.01Å; G292-M296 WeakPolarHBondContact O-CB 3.32Å; G292-M296 PolarHBondContact O-N 3.48Å |
| 293 | K | 97.6 | Very high | 96 | Very high | 12 Ų | 12 | 18 Ų | 18 | 5% | 0.052 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.7 | -51.9 | 177.1 | -67.3 | -163.6 | -62.4 | -64.4 | 0 | 112.8 | H267 L269 F287 N295 M296 A297 D313 D314 | H267-K293 PolarHBondContact CE1-NZ 2.97Å; H267-K293 WeakPolarHBondContact NE2-CE 3.31Å; H267-K293 PolarHBondContact NE2-NZ 2.93Å; L269-K293 HydrophobicContact CB-CB 4.37Å; L269-K293 HydrophobicContact CD2-CB 3.91Å; L269-K293 HydrophobicContact CD2-CG 4.22Å; L269-K293 VanDerWaalsContact CD2-O 3.3Å; L269-K293 WeakPolarHBondContact CD2-O 3.34Å; F287-K293 HydrophobicContact CB-CG 3.78Å; F287-K293 HydrophobicContact CD2-CG 3.79Å; F287-K293 HydrophobicContact CG-CG 4.1Å; F287-K293 WeakPolarHBondContact O-CD 3.47Å; F287-K293 PolarHBondContact O-NZ 2.76Å; K293-N295 VanDerWaalsContact C-N 3.31Å; K293-N295 PolarHBondContact O-N 2.94Å; K293-M296 PolarHBondContact O-N 2.72Å; K293-A297 WeakPolarHBondContact O-CB 3.21Å; K293-A297 PolarHBondContact O-N 2.94Å; K293-D313 VanDerWaalsContact CB-O 3.23Å; K293-D313 WeakPolarHBondContact CB-O 3.13Å; K293-D314 IonicContact NZ-OD1 3.46Å |
| 294 | T | 96.7 | Very high | 95.8 | Very high | 26 Ų | 26 | 23.6 Ų | 23.6 | 16% | 0.16 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.1 | -38.9 | 178.3 | -46.7 | 0 | 0 | 0 | 0 | 112.7 | M296 M298 D313 N347 | T294-M296 VanDerWaalsContact C-N 3.33Å; T294-M296 PolarHBondContact O-N 3.1Å; T294-M298 HydrophobicContact CG2-CE 4.12Å; T294-M298 HydrophobicContact CG2-SD 4.15Å; T294-M298 WeakPolarHBondContact O-CB 3.34Å; T294-M298 PolarHBondContact O-N 2.87Å; T294-M298 VanDerWaalsContact O-N 3.12Å; T294-D313 WeakPolarHBondContact CB-OD2 3.4Å; T294-D313 HydrophobicContact CG2-CB 4.42Å; T294-D313 WeakPolarHBondContact CG2-OD2 3.47Å; T294-D313 PolarHBondContact OG1-OD2 3.42Å; T294-N347 PolarHBondContact O-ND2 2.78Å |
| 295 | N | 96.2 | Very high | 95.8 | Very high | 39 Ų | 39 | 26.2 Ų | 26.2 | 21% | 0.209 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -39.1 | 174.4 | -60.8 | 82.5 | 0 | 0 | 0 | 112.2 | G292 K293 M298 L299 T346 N347 | G292-N295 PolarHBondContact O-N 3.01Å; K293-N295 VanDerWaalsContact C-N 3.31Å; K293-N295 PolarHBondContact O-N 2.94Å; N295-M298 CarbonylContact O-C 3.59Å; N295-L299 VanDerWaalsContact O-CA 3.26Å; N295-L299 WeakPolarHBondContact O-CA 3.42Å; N295-L299 WeakPolarHBondContact O-CB 3.26Å; N295-L299 PolarHBondContact O-N 3.01Å; N295-L299 VanDerWaalsContact O-N 3.1Å; N295-T346 PolarHBondContact ND2-O 3.1Å; N295-N347 WeakPolarHBondContact CA-ND2 3.47Å |
| 296 | M | 97.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.7 | -43.3 | -179.9 | -169.5 | 67.9 | -140.2 | 0 | 0 | 111.9 | L269 M271 F287 G292 K293 T294 M298 L299 N537 I541 | L269-M296 HydrophobicContact CD2-CB 3.7Å; L269-M296 HydrophobicContact CD2-CG 4.01Å; M271-M296 HydrophobicContact CE-CE 3.6Å; M271-M296 HydrophobicContact SD-CE 3.53Å; M271-M296 VanDerWaalsContact SD-CE 3.53Å; M271-M296 HydrophobicContact SD-CG 3.92Å; F287-M296 HydrophobicContact CE2-CB 4.26Å; F287-M296 HydrophobicContact CE2-CG 4.36Å; G292-M296 WeakPolarHBondContact O-CB 3.32Å; G292-M296 PolarHBondContact O-N 3.48Å; K293-M296 PolarHBondContact O-N 2.72Å; T294-M296 VanDerWaalsContact C-N 3.33Å; T294-M296 PolarHBondContact O-N 3.1Å; M296-M298 PolarHBondContact O-N 3.02Å; M296-L299 HydrophobicContact CE-CD1 3.72Å; M296-L299 VanDerWaalsContact O-CB 3.29Å; M296-L299 WeakPolarHBondContact O-CB 3.24Å; M296-L299 PolarHBondContact O-N 3.15Å; M296-L299 HydrophobicContact SD-CD1 3.81Å; M296-N537 HydrophobicContact SD-CB 4.16Å; M296-I541 HydrophobicContact CE-CD1 3.63Å; M296-I541 HydrophobicContact CE-CG1 3.39Å |
| 297 | A | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.4 | -31.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L269 K293 C310 D313 | L269-A297 HydrophobicContact CB-CB 3.95Å; L269-A297 HydrophobicContact CD1-CB 4.35Å; L269-A297 HydrophobicContact CD2-CB 4.42Å; L269-A297 HydrophobicContact CG-CB 4.48Å; K293-A297 WeakPolarHBondContact O-CB 3.21Å; K293-A297 PolarHBondContact O-N 2.94Å; A297-C310 WeakPolarHBondContact O-CA 3.14Å; A297-C310 VanDerWaalsContact O-CB 3.29Å; A297-C310 WeakPolarHBondContact O-CB 3.36Å; A297-D313 HydrophobicContact CB-CB 3.88Å |
| 298 | M | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 25.6 | -179.3 | -55.5 | -177.3 | -174.7 | 0 | 0 | 112.9 | T294 N295 M296 E300 C310 F335 N349 A350 I420 | T294-M298 HydrophobicContact CG2-CE 4.12Å; T294-M298 HydrophobicContact CG2-SD 4.15Å; T294-M298 WeakPolarHBondContact O-CB 3.34Å; T294-M298 PolarHBondContact O-N 2.87Å; T294-M298 VanDerWaalsContact O-N 3.12Å; N295-M298 CarbonylContact O-C 3.59Å; M296-M298 PolarHBondContact O-N 3.02Å; M298-E300 PolarHBondContact O-N 3.03Å; M298-C310 HydrophobicContact CG-CB 4.37Å; M298-F335 HydrophobicContact CE-CB 4.32Å; M298-F335 HydrophobicContact CE-CD1 3.56Å; M298-F335 HydrophobicContact CE-CD2 3.32Å; M298-F335 HydrophobicContact CE-CE1 3.54Å; M298-F335 HydrophobicContact CE-CE2 3.27Å; M298-F335 HydrophobicContact CE-CG 3.44Å; M298-F335 VanDerWaalsContact CE-CG 3.44Å; M298-F335 HydrophobicContact CE-CZ 3.4Å; M298-N349 HydrophobicContact CB-CB 3.94Å; M298-N349 PolarHBondContact O-ND2 3.27Å; M298-A350 HydrophobicContact SD-CB 3.86Å; M298-I420 HydrophobicContact CB-CD1 4.36Å |
| 299 | L | 97.7 | Very high | 96 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | -58.5 | 131 | -174.2 | -178.3 | 149.5 | 0 | 0 | 0 | 111.2 | N295 M296 P301 V308 F534 N537 I538 | N295-L299 VanDerWaalsContact O-CA 3.26Å; N295-L299 WeakPolarHBondContact O-CA 3.42Å; N295-L299 WeakPolarHBondContact O-CB 3.26Å; N295-L299 PolarHBondContact O-N 3.01Å; N295-L299 VanDerWaalsContact O-N 3.1Å; M296-L299 HydrophobicContact CE-CD1 3.72Å; M296-L299 VanDerWaalsContact O-CB 3.29Å; M296-L299 WeakPolarHBondContact O-CB 3.24Å; M296-L299 PolarHBondContact O-N 3.15Å; M296-L299 HydrophobicContact SD-CD1 3.81Å; L299-P301 HydrophobicContact CD2-CB 4.29Å; L299-P301 HydrophobicContact CD2-CG 3.93Å; L299-P301 WeakPolarHBondContact O-CD 3.47Å; L299-V308 HydrophobicContact CB-CG1 4.27Å; L299-V308 HydrophobicContact CD2-CG2 3.95Å; L299-V308 WeakPolarHBondContact O-CB 3.48Å; L299-F534 VanDerWaalsContact CD1-O 3.24Å; L299-F534 WeakPolarHBondContact CD1-O 3.34Å; L299-N537 HydrophobicContact CD1-CB 3.8Å; L299-I538 HydrophobicContact CD2-CB 4.2Å; L299-I538 HydrophobicContact CD2-CD1 4.4Å | ||
| 300 | E | 98 | Very high | 96.4 | Very high | 112 Ų | 112 | 33 Ų | 33 | 52% | 0.523 | 20% | 0.199 | S | C | . | . | trans | -91.9 | 113.6 | 164.9 | -174.9 | 170.9 | -132.2 | 0 | 0 | 108.7 | M298 S302 P348 G535 | M298-E300 PolarHBondContact O-N 3.03Å; E300-S302 PolarHBondContact O-N 3.31Å; E300-P348 HydrophobicContact CB-CG 4Å; E300-P348 WeakPolarHBondContact OE2-CG 3.44Å; E300-G535 WeakPolarHBondContact O-CA 3.42Å | ||
| 301 | P | 97.7 | Very high | 97.1 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 20% | 0.201 | 18% | 0.184 | C | C | . | . | trans | -62.2 | 132.1 | -176.9 | -27.1 | 38.1 | 0 | 0 | 0 | 112.6 | L299 L303 W306 V308 I538 | L299-P301 HydrophobicContact CD2-CB 4.29Å; L299-P301 HydrophobicContact CD2-CG 3.93Å; L299-P301 WeakPolarHBondContact O-CD 3.47Å; P301-L303 VanDerWaalsContact C-N 3.3Å; P301-W306 HydrophobicContact CB-CB 3.72Å; P301-W306 HydrophobicContact CG-CB 4.03Å; P301-V308 HydrophobicContact CG-CB 4.33Å; P301-V308 HydrophobicContact CG-CG2 3.91Å; P301-I538 HydrophobicContact CB-CB 4.26Å; P301-I538 HydrophobicContact CB-CD1 4.35Å; P301-I538 HydrophobicContact CB-CG1 4.01Å; P301-I538 HydrophobicContact CB-CG2 4.37Å; P301-I538 HydrophobicContact CG-CD1 4.29Å; P301-I538 HydrophobicContact CG-CG1 4.48Å | ||
| 302 | S | 96.5 | Very high | 97.5 | Very high | 46 Ų | 46 | 31.1 Ų | 31.1 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -76.6 | -18.8 | 171.5 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | E300 G535 Q536 | E300-S302 PolarHBondContact O-N 3.31Å; S302-G535 PolarHBondContact N-O 3.03Å; S302-G535 VanDerWaalsContact N-O 3.14Å; S302-G535 PolarHBondContact OG-O 2.97Å; S302-G535 VanDerWaalsContact OG-O 3.13Å; S302-Q536 WeakPolarHBondContact OG-CA 3.28Å; S302-Q536 VanDerWaalsContact OG-CD 3.23Å; S302-Q536 PolarHBondContact OG-OE1 2.76Å |
| 303 | L | 96.8 | Very high | 97.8 | Very high | 25 Ų | 25 | 30.5 Ų | 30.5 | 13% | 0.131 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -93.3 | 133.5 | 178.9 | -68.5 | -176.4 | 0 | 0 | 0 | 111.3 | P301 W306 I538 R539 | P301-L303 VanDerWaalsContact C-N 3.3Å; L303-W306 VanDerWaalsContact CB-CD1 3.48Å; L303-W306 HydrophobicContact CB-CG 4.36Å; L303-I538 HydrophobicContact CB-CG2 4.02Å; L303-I538 HydrophobicContact CD1-CG2 4.12Å; L303-I538 HydrophobicContact CG-CG2 3.86Å; L303-R539 HydrophobicContact CD1-CG 3.79Å; L303-R539 HydrophobicContact CG-CG 4.17Å |
| 304 | P | 95.8 | Very high | 97.8 | Very high | 116 Ų | 116 | 30.7 Ų | 30.7 | 75% | 0.753 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 151.5 | 177.4 | 28.8 | -35.1 | 0 | 0 | 0 | 111.8 | W306 | P304-W306 PolarHBondContact O-N 2.95Š|
| 305 | G | 97.3 | Very high | 97.9 | Very high | 56 Ų | 56 | 29.5 Ų | 29.5 | 58% | 0.577 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | -7.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P276 | P276-G305 WeakPolarHBondContact CA-O 3.5Š|
| 306 | W | 98.3 | Very high | 98 | Very high | 31 Ų | 31 | 27.6 Ų | 27.6 | 12% | 0.117 | 16% | 0.161 | C | C | . | . | trans | -87.9 | 142 | 171.8 | -72 | 85.3 | 0 | 0 | 0 | 111.2 | V273 N275 P276 P301 L303 P304 I538 D542 L545 | V273-W306 HydrophobicContact CG1-CE3 3.71Å; V273-W306 HydrophobicContact CG1-CZ3 3.74Å; N275-W306 HydrophobicContact CB-CE3 4.21Å; N275-W306 HydrophobicContact CB-CH2 3.6Å; N275-W306 HydrophobicContact CB-CZ2 4.15Å; N275-W306 HydrophobicContact CB-CZ3 3.64Å; P276-W306 HydrophobicContact CG-CG 4.47Å; P301-W306 HydrophobicContact CB-CB 3.72Å; P301-W306 HydrophobicContact CG-CB 4.03Å; L303-W306 VanDerWaalsContact CB-CD1 3.48Å; L303-W306 HydrophobicContact CB-CG 4.36Å; P304-W306 PolarHBondContact O-N 2.95Å; W306-I538 HydrophobicContact CB-CD1 4.16Å; W306-I538 HydrophobicContact CB-CG1 3.9Å; W306-I538 HydrophobicContact CD2-CD1 4.02Å; W306-I538 HydrophobicContact CD2-CG1 3.75Å; W306-I538 HydrophobicContact CE3-CD1 3.69Å; W306-I538 HydrophobicContact CE3-CG1 3.95Å; W306-I538 HydrophobicContact CG-CD1 4.24Å; W306-I538 HydrophobicContact CG-CG1 3.73Å; W306-I538 HydrophobicContact CZ3-CD1 4.44Å; W306-D542 HydrophobicContact CH2-CB 3.63Å; W306-D542 VanDerWaalsContact CH2-OD1 3.3Å; W306-D542 WeakPolarHBondContact CH2-OD1 3.41Å; W306-D542 HydrophobicContact CZ2-CB 3.52Å; W306-D542 WeakPolarHBondContact CZ2-OD1 3.5Å; W306-L545 HydrophobicContact CH2-CD1 4.37Å; W306-L545 HydrophobicContact CZ3-CD1 3.87Å | ||
| 307 | K | 98.4 | Very high | 98.1 | Very high | 108 Ų | 108 | 27.4 Ų | 27.4 | 47% | 0.47 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 131.3 | 173.5 | -172.3 | -171.4 | -176.2 | -161.9 | 0 | 109.5 | V273 T274 Q309 | V273-K307 WeakPolarHBondContact CA-O 3.49Å; T274-K307 PolarHBondContact N-O 2.87Å; T274-K307 PolarHBondContact O-N 3.37Å; K307-Q309 HydrophobicContact CD-CG 4.33Å; K307-Q309 VanDerWaalsContact CE-CD 3.46Å; K307-Q309 VanDerWaalsContact CE-OE1 3.26Å; K307-Q309 HydrophobicContact CG-CG 4.29Å; K307-Q309 VanDerWaalsContact NZ-CD 3.32Å |
| 308 | V | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139.9 | 171.2 | 166.2 | 0 | 0 | 0 | 0 | 108.6 | M271 S272 V273 L299 P301 I420 I538 | M271-V308 HydrophobicContact CE-CB 4.19Å; M271-V308 HydrophobicContact CE-CG1 3.41Å; M271-V308 VanDerWaalsContact CE-CG1 3.41Å; M271-V308 HydrophobicContact CE-CG2 3.68Å; S272-V308 WeakPolarHBondContact O-CA 3.39Å; V273-V308 HydrophobicContact CG1-CG2 4.35Å; V273-V308 HydrophobicContact CG2-CG2 4.32Å; L299-V308 HydrophobicContact CB-CG1 4.27Å; L299-V308 HydrophobicContact CD2-CG2 3.95Å; L299-V308 WeakPolarHBondContact O-CB 3.48Å; P301-V308 HydrophobicContact CG-CB 4.33Å; P301-V308 HydrophobicContact CG-CG2 3.91Å; V308-I420 HydrophobicContact CG1-CD1 4.42Å; V308-I538 HydrophobicContact CG2-CD1 3.99Å |
| 309 | Q | 98.8 | Very high | 98.1 | Very high | 20 Ų | 20 | 31.4 Ų | 31.4 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 141.8 | 172.7 | -55.7 | -168.1 | -115 | 0 | 0 | 111.4 | M271 S272 K307 I420 I421 H422 | M271-Q309 CarbonylContact C-O 3.48Å; M271-Q309 WeakPolarHBondContact CA-O 3.47Å; S272-Q309 PolarHBondContact N-O 3.4Å; S272-Q309 PolarHBondContact O-N 2.75Å; K307-Q309 HydrophobicContact CD-CG 4.33Å; K307-Q309 VanDerWaalsContact CE-CD 3.46Å; K307-Q309 VanDerWaalsContact CE-OE1 3.26Å; K307-Q309 HydrophobicContact CG-CG 4.29Å; K307-Q309 VanDerWaalsContact NZ-CD 3.32Å; Q309-I420 CarbonylContact C-O 3.59Å; Q309-I420 WeakPolarHBondContact CA-O 3.32Å; Q309-I420 VanDerWaalsContact CB-O 3.27Å; Q309-I420 WeakPolarHBondContact CB-O 3.41Å; Q309-I421 PolarHBondContact NE2-O 2.92Å; Q309-H422 HydrophobicContact CB-CB 3.83Å |
| 310 | C | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 132.4 | -177.2 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | A297 M298 I420 I421 H422 | A297-C310 WeakPolarHBondContact O-CA 3.14Å; A297-C310 VanDerWaalsContact O-CB 3.29Å; A297-C310 WeakPolarHBondContact O-CB 3.36Å; M298-C310 HydrophobicContact CG-CB 4.37Å; C310-I420 PolarHBondContact N-O 2.89Å; C310-I421 HydrophobicContact CB-CD1 4.49Å; C310-I421 WeakPolarHBondContact O-CD1 3.22Å; C310-H422 WeakPolarHBondContact O-CB 3.38Å; C310-H422 PolarHBondContact O-N 2.82Å |
| 311 | V | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -41.8 | 165.5 | 168.9 | 0 | 0 | 0 | 0 | 110.1 | I270 F282 N330 H422 W425 V431 | I270-V311 HydrophobicContact CB-CB 3.83Å; I270-V311 HydrophobicContact CB-CG1 3.93Å; I270-V311 HydrophobicContact CD1-CG1 4.16Å; I270-V311 HydrophobicContact CG2-CB 3.71Å; I270-V311 HydrophobicContact CG2-CG1 3.83Å; I270-V311 HydrophobicContact CG2-CG2 4.18Å; I270-V311 WeakPolarHBondContact O-CB 3.46Å; I270-V311 PolarHBondContact O-N 3.29Å; F282-V311 HydrophobicContact CD1-CG2 4.34Å; F282-V311 HydrophobicContact CE1-CG2 4.13Å; V311-N330 HydrophobicContact CG1-CB 4.15Å; V311-N330 VanDerWaalsContact O-CB 3.29Å; V311-N330 WeakPolarHBondContact O-CB 3.15Å; V311-N330 PolarHBondContact O-ND2 3.02Å; V311-H422 HydrophobicContact CG2-CB 3.78Å; V311-W425 HydrophobicContact CG1-CB 4.48Å; V311-V431 HydrophobicContact CG1-CG2 4.5Å; V311-V431 HydrophobicContact CG2-CG1 4.44Å; V311-V431 HydrophobicContact CG2-CG2 4.43Å |
| 312 | G | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 157.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L269 I270 N330 | L269-G312 CarbonylContact C-O 3.6Å; L269-G312 WeakPolarHBondContact CA-O 3.44Å; L269-G312 WeakPolarHBondContact CB-O 3.43Å; I270-G312 PolarHBondContact N-O 3.03Å; I270-G312 PolarHBondContact O-N 3.47Å; I270-G312 VanDerWaalsContact O-N 3.1Å; I270-G312 VanDerWaalsContact O-O 3.09Å; G312-N330 WeakPolarHBondContact CA-ND2 3.37Å |
| 313 | D | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -111.8 | -7.4 | -171.6 | 84.6 | -39.7 | 0 | 0 | 0 | 115.2 | K293 T294 A297 F335 | K293-D313 VanDerWaalsContact CB-O 3.23Å; K293-D313 WeakPolarHBondContact CB-O 3.13Å; T294-D313 WeakPolarHBondContact CB-OD2 3.4Å; T294-D313 HydrophobicContact CG2-CB 4.42Å; T294-D313 WeakPolarHBondContact CG2-OD2 3.47Å; T294-D313 PolarHBondContact OG1-OD2 3.42Å; A297-D313 HydrophobicContact CB-CB 3.88Å; D313-F335 HydrophobicContact CB-CD1 3.98Å; D313-F335 HydrophobicContact CB-CE1 4.21Å; D313-F335 WeakPolarHBondContact OD1-CD1 3.22Å |
| 314 | D | 98.5 | Very high | 97.9 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -144.8 | -35.4 | -166.5 | -172.8 | 56.5 | 0 | 0 | 0 | 115.2 | K246 K247 H267 M268 K293 | K246-D314 WeakPolarHBondContact CE-OD2 3.44Å; K246-D314 IonicContact NZ-OD2 2.87Å; K246-D314 PolarHBondContact NZ-OD2 3.21Å; K247-D314 WeakPolarHBondContact CE-OD2 3.4Å; K247-D314 IonicContact NZ-OD1 3.97Å; K247-D314 PolarHBondContact NZ-OD1 3.11Å; K247-D314 IonicContact NZ-OD2 2.86Å; K247-D314 PolarHBondContact NZ-OD2 2.97Å; H267-D314 CarbonylContact C-O 3.51Å; H267-D314 VanDerWaalsContact C-O 3.28Å; H267-D314 WeakPolarHBondContact CA-O 3.15Å; H267-D314 PolarHBondContact CD2-O 2.93Å; H267-D314 VanDerWaalsContact CD2-O 3.26Å; H267-D314 IonicContact CD2-OD1 3.47Å; H267-D314 PolarHBondContact CD2-OD1 2.87Å; H267-D314 VanDerWaalsContact CD2-OD1 3.26Å; H267-D314 IonicContact NE2-OD1 3.4Å; H267-D314 PolarHBondContact NE2-OD1 2.68Å; H267-D314 VanDerWaalsContact NE2-OD1 3.09Å; M268-D314 PolarHBondContact N-O 2.88Å; M268-D314 CarbonylContact O-C 3.57Å; K293-D314 IonicContact NZ-OD1 3.46Å |
| 315 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -131.7 | 136.8 | -177.6 | -52.5 | 179.3 | 0 | 0 | 0 | 110.8 | K246 A250 L251 E266 M268 P331 E332 | K246-I315 HydrophobicContact CG-CD1 4.09Å; K246-I315 VanDerWaalsContact O-CD1 3.27Å; K246-I315 WeakPolarHBondContact O-CD1 3.48Å; A250-I315 HydrophobicContact CB-CD1 3.85Å; A250-I315 HydrophobicContact CB-CG2 4.09Å; L251-I315 HydrophobicContact CD2-CG1 4.33Å; L251-I315 HydrophobicContact CD2-CG2 3.86Å; L251-I315 HydrophobicContact CG-CD1 4.26Å; L251-I315 HydrophobicContact CG-CG1 4.38Å; L251-I315 HydrophobicContact CG-CG2 4.49Å; E266-I315 WeakPolarHBondContact O-CA 3.5Å; M268-I315 CarbonylContact O-C 3.56Å; M268-I315 WeakPolarHBondContact O-CA 3.47Å; M268-I315 PolarHBondContact O-N 2.93Å; M268-I315 VanDerWaalsContact O-N 3.09Å; I315-P331 HydrophobicContact CB-CG 3.88Å; I315-P331 HydrophobicContact CG2-CG 3.46Å; I315-P331 VanDerWaalsContact CG2-CG 3.46Å; I315-P331 WeakPolarHBondContact O-CD 3.21Å; I315-E332 HydrophobicContact CD1-CG 4.23Å | ||
| 316 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 130.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | E266 M268 I270 M318 | E266-A316 PolarHBondContact N-O 2.71Å; E266-A316 PolarHBondContact O-N 2.8Å; M268-A316 HydrophobicContact CB-CB 3.83Å; M268-A316 PolarHBondContact O-N 3.27Å; I270-A316 HydrophobicContact CD1-CB 3.7Å; I270-A316 HydrophobicContact CG1-CB 3.76Å; A316-M318 HydrophobicContact CB-CG 4.06Å; A316-M318 HydrophobicContact CB-SD 4.39Å |
| 317 | W | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.7 | 164.6 | -70.3 | -4.9 | 0 | 0 | 0 | 109 | M148 L155 K157 F249 A250 A254 W263 L264 A328 I329 P331 | M148-W317 HydrophobicContact CB-CH2 3.43Å; M148-W317 VanDerWaalsContact CB-CH2 3.43Å; M148-W317 HydrophobicContact CB-CZ2 4.09Å; M148-W317 HydrophobicContact CB-CZ3 4.04Å; M148-W317 HydrophobicContact CG-CH2 4.35Å; M148-W317 WeakPolarHBondContact O-CZ3 3.46Å; L155-W317 VanDerWaalsContact O-CZ3 3.29Å; L155-W317 WeakPolarHBondContact O-CZ3 3.49Å; K157-W317 HydrophobicContact CB-CH2 3.77Å; K157-W317 HydrophobicContact CB-CZ3 3.94Å; K157-W317 HydrophobicContact CG-CH2 3.79Å; K157-W317 HydrophobicContact CG-CZ3 3.69Å; F249-W317 HydrophobicContact CE2-CH2 4.33Å; F249-W317 HydrophobicContact CE2-CZ2 4.46Å; F249-W317 HydrophobicContact CZ-CH2 4.45Å; A250-W317 HydrophobicContact CB-CZ2 3.76Å; A250-W317 PolarHBondContact O-NE1 3.05Å; A254-W317 HydrophobicContact CB-CZ2 3.77Å; W263-W317 HydrophobicContact CE3-CB 4.28Å; W263-W317 HydrophobicContact CE3-CG 4.45Å; W263-W317 AromaticContact CH2-CD2 3.98Å; W263-W317 HydrophobicContact CH2-CD2 3.98Å; W263-W317 HydrophobicContact CH2-CE3 4.37Å; W263-W317 HydrophobicContact CH2-CG 4.16Å; W263-W317 HydrophobicContact CZ3-CB 3.82Å; W263-W317 AromaticContact CZ3-CD1 3.76Å; W263-W317 AromaticContact CZ3-CD2 3.86Å; W263-W317 HydrophobicContact CZ3-CD2 3.86Å; W263-W317 HydrophobicContact CZ3-CE3 4.48Å; W263-W317 AromaticContact CZ3-CG 3.54Å; W263-W317 HydrophobicContact CZ3-CG 3.54Å; L264-W317 CarbonylContact O-C 3.49Å; L264-W317 WeakPolarHBondContact O-CA 3.39Å; W317-A328 CarbonylContact O-C 3.58Å; W317-A328 VanDerWaalsContact O-CA 3.31Å; W317-A328 WeakPolarHBondContact O-CA 3.23Å; W317-I329 HydrophobicContact CB-CG1 3.96Å; W317-I329 HydrophobicContact CE3-CD1 4.12Å; W317-I329 PolarHBondContact N-O 2.93Å; W317-I329 PolarHBondContact O-N 3.25Å; W317-P331 HydrophobicContact CD2-CB 3.93Å; W317-P331 HydrophobicContact CD2-CG 4.14Å; W317-P331 HydrophobicContact CE3-CB 4.12Å; W317-P331 HydrophobicContact CG-CB 4.46Å; W317-P331 HydrophobicContact CG-CG 4.22Å; W317-P331 HydrophobicContact CH2-CB 4.28Å; W317-P331 HydrophobicContact CZ2-CB 4.1Å; W317-P331 HydrophobicContact CZ3-CB 4.28Å |
| 318 | M | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.4 | -169.1 | -49.3 | -175.2 | -78.6 | 0 | 0 | 112.1 | W263 L264 E266 M268 A284 A316 L326 R327 A328 I433 | W263-M318 WeakPolarHBondContact CB-O 3.46Å; L264-M318 HydrophobicContact CB-CB 4.33Å; L264-M318 HydrophobicContact CB-CE 4.17Å; L264-M318 HydrophobicContact CD1-CE 4.13Å; L264-M318 PolarHBondContact N-O 3.17Å; L264-M318 PolarHBondContact O-N 3.18Å; E266-M318 HydrophobicContact CB-CE 4.04Å; E266-M318 HydrophobicContact CG-CE 3.49Å; E266-M318 VanDerWaalsContact CG-CE 3.49Å; M268-M318 HydrophobicContact CE-CE 4.49Å; M268-M318 HydrophobicContact SD-CE 3.66Å; M268-M318 HydrophobicContact SD-SD 4.38Å; A284-M318 HydrophobicContact CB-SD 4.26Å; A316-M318 HydrophobicContact CB-CG 4.06Å; A316-M318 HydrophobicContact CB-SD 4.39Å; M318-L326 HydrophobicContact CB-CD1 3.71Å; M318-L326 HydrophobicContact CB-CD2 4.33Å; M318-L326 HydrophobicContact CB-CG 4.02Å; M318-L326 HydrophobicContact SD-CD2 3.99Å; M318-R327 CarbonylContact C-O 3.57Å; M318-R327 WeakPolarHBondContact CA-O 3.42Å; M318-A328 HydrophobicContact CG-CB 3.75Å; M318-A328 HydrophobicContact SD-CB 4.42Å; M318-I433 HydrophobicContact SD-CG1 4.35Å |
| 319 | R | 97.9 | Very high | 98 | Very high | 84 Ų | 84 | 27.5 Ų | 27.5 | 32% | 0.317 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 138.9 | 178.1 | 176.1 | 173.7 | -95.8 | 179.2 | -6 | 110 | L155 E261 W263 D321 R327 | L155-R319 HydrophobicContact CD2-CB 3.8Å; L155-R319 HydrophobicContact CD2-CG 4.44Å; E261-R319 PolarHBondContact O-NH2 3.44Å; W263-R319 HydrophobicContact CB-CB 3.84Å; W263-R319 HydrophobicContact CB-CG 4.19Å; R319-D321 PolarHBondContact O-N 3.29Å; R319-R327 PolarHBondContact N-O 3.12Å; R319-R327 PolarHBondContact O-N 2.89Å |
| 320 | F | 97.7 | Very high | 98 | Very high | 24 Ų | 24 | 26.6 Ų | 26.6 | 11% | 0.105 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 126.8 | 169.2 | -71.7 | -80.8 | 0 | 0 | 0 | 110 | G324 V325 L326 M505 H510 L512 | F320-G324 VanDerWaalsContact CD1-O 3.27Å; F320-G324 WeakPolarHBondContact CD1-O 3.4Å; F320-V325 WeakPolarHBondContact CA-O 3.33Å; F320-L326 HydrophobicContact CD1-CB 4.02Å; F320-L326 HydrophobicContact CD1-CD1 4.35Å; F320-L326 HydrophobicContact CD2-CD1 3.92Å; F320-L326 HydrophobicContact CE1-CB 3.71Å; F320-L326 HydrophobicContact CE1-CD1 4.27Å; F320-L326 HydrophobicContact CE2-CD1 3.81Å; F320-L326 HydrophobicContact CG-CD1 4.2Å; F320-L326 HydrophobicContact CZ-CB 4.08Å; F320-L326 HydrophobicContact CZ-CD1 3.99Å; F320-L326 HydrophobicContact CZ-CG 4.43Å; F320-M505 HydrophobicContact CD2-SD 4.16Å; F320-M505 HydrophobicContact CE2-CB 4.03Å; F320-M505 HydrophobicContact CE2-CG 4.31Å; F320-M505 HydrophobicContact CE2-SD 3.99Å; F320-H510 HydrophobicContact CD1-CB 3.9Å; F320-H510 AromaticContact CD1-CD2 3.98Å; F320-H510 AromaticContact CD1-CG 3.73Å; F320-H510 AromaticContact CD2-CE1 3.44Å; F320-H510 VanDerWaalsContact CD2-CE1 3.44Å; F320-H510 WeakPolarHBondContact CD2-CE1 3.29Å; F320-H510 AromaticContact CD2-CG 3.98Å; F320-H510 AromaticContact CD2-ND1 3.46Å; F320-H510 WeakPolarHBondContact CD2-ND1 3.29Å; F320-H510 AromaticContact CD2-NE2 3.98Å; F320-H510 HydrophobicContact CE1-CB 3.7Å; F320-H510 AromaticContact CE1-CG 3.9Å; F320-H510 AromaticContact CE2-CE1 3.95Å; F320-H510 AromaticContact CE2-ND1 3.54Å; F320-H510 HydrophobicContact CG-CB 4.43Å; F320-H510 AromaticContact CG-CD2 3.78Å; F320-H510 AromaticContact CG-CE1 3.72Å; F320-H510 AromaticContact CG-CG 3.76Å; F320-H510 AromaticContact CG-ND1 3.72Å; F320-H510 AromaticContact CG-NE2 3.8Å; F320-H510 HydrophobicContact CZ-CB 4.09Å; F320-H510 AromaticContact CZ-ND1 3.87Å; F320-L512 HydrophobicContact CE1-CD2 4.29Å; F320-L512 HydrophobicContact CZ-CD2 3.72Å |
| 321 | D | 96.2 | Very high | 98 | Very high | 30 Ų | 30 | 26.6 Ų | 26.6 | 16% | 0.16 | 12% | 0.122 | C | C | . | . | trans | -78.4 | 178 | 175.5 | 69.1 | 15.4 | 0 | 0 | 0 | 112.2 | R319 H323 G324 V325 R327 | R319-D321 PolarHBondContact O-N 3.29Å; D321-H323 PolarHBondContact O-N 3.17Å; D321-H323 WeakPolarHBondContact OD1-CA 3.48Å; D321-H323 WeakPolarHBondContact OD1-CB 3.47Å; D321-H323 PolarHBondContact OD1-N 2.86Å; D321-G324 PolarHBondContact O-N 3.04Å; D321-G324 PolarHBondContact OD1-N 3.43Å; D321-G324 VanDerWaalsContact OD1-N 3.14Å; D321-V325 PolarHBondContact N-O 3.06Å; D321-V325 PolarHBondContact OD1-N 2.72Å; D321-R327 HydrophobicContact CB-CG 3.98Å; D321-R327 IonicContact OD2-CZ 2.74Å; D321-R327 IonicContact OD2-NE 2.77Å; D321-R327 PolarHBondContact OD2-NE 3.04Å; D321-R327 IonicContact OD2-NH2 2.7Å; D321-R327 PolarHBondContact OD2-NH2 3.1Å; D321-R327 VanDerWaalsContact OD2-NH2 3.1Å | ||
| 322 | E | 95.4 | Very high | 98 | Very high | 168 Ų | 168 | 26.6 Ų | 26.6 | 79% | 0.785 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15 | 177.4 | 62.8 | -89.3 | -159 | 0 | 0 | 114.2 | ||
| 323 | H | 96.8 | Very high | 98 | Very high | 120 Ų | 120 | 27.2 Ų | 27.2 | 56% | 0.556 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 8 | 176.5 | -56.3 | -51.8 | 0 | 0 | 0 | 112.9 | D321 V325 | D321-H323 PolarHBondContact O-N 3.17Å; D321-H323 WeakPolarHBondContact OD1-CA 3.48Å; D321-H323 WeakPolarHBondContact OD1-CB 3.47Å; D321-H323 PolarHBondContact OD1-N 2.86Å; H323-V325 VanDerWaalsContact C-N 3.28Å; H323-V325 PolarHBondContact O-N 3.16Å |
| 324 | G | 97.6 | Very high | 98 | Very high | 5 Ų | 5 | 27 Ų | 27 | 5% | 0.052 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 74 | 13.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | F320 D321 S509 K511 | F320-G324 VanDerWaalsContact CD1-O 3.27Å; F320-G324 WeakPolarHBondContact CD1-O 3.4Å; D321-G324 PolarHBondContact O-N 3.04Å; D321-G324 PolarHBondContact OD1-N 3.43Å; D321-G324 VanDerWaalsContact OD1-N 3.14Å; G324-S509 VanDerWaalsContact CA-O 3.28Å; G324-S509 WeakPolarHBondContact CA-O 3.4Å; G324-K511 WeakPolarHBondContact O-CB 3.4Å; G324-K511 PolarHBondContact O-N 2.85Å |
| 325 | V | 98 | Very high | 98 | Very high | 28 Ų | 28 | 26.3 Ų | 26.3 | 17% | 0.17 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -90.3 | 131.4 | 179.2 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | F320 D321 H323 R327 P432 K511 | F320-V325 WeakPolarHBondContact CA-O 3.33Å; D321-V325 PolarHBondContact N-O 3.06Å; D321-V325 PolarHBondContact OD1-N 2.72Å; H323-V325 VanDerWaalsContact C-N 3.28Å; H323-V325 PolarHBondContact O-N 3.16Å; V325-R327 PolarHBondContact O-N 2.82Å; V325-R327 VanDerWaalsContact O-N 3.15Å; V325-P432 HydrophobicContact CG1-CB 3.55Å; V325-K511 HydrophobicContact CG2-CD 3.98Å |
| 326 | L | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 107.9 | 174.2 | -171.9 | 63.2 | 0 | 0 | 0 | 110.1 | M318 F320 I433 I436 P513 | M318-L326 HydrophobicContact CB-CD1 3.71Å; M318-L326 HydrophobicContact CB-CD2 4.33Å; M318-L326 HydrophobicContact CB-CG 4.02Å; M318-L326 HydrophobicContact SD-CD2 3.99Å; F320-L326 HydrophobicContact CD1-CB 4.02Å; F320-L326 HydrophobicContact CD1-CD1 4.35Å; F320-L326 HydrophobicContact CD2-CD1 3.92Å; F320-L326 HydrophobicContact CE1-CB 3.71Å; F320-L326 HydrophobicContact CE1-CD1 4.27Å; F320-L326 HydrophobicContact CE2-CD1 3.81Å; F320-L326 HydrophobicContact CG-CD1 4.2Å; F320-L326 HydrophobicContact CZ-CB 4.08Å; F320-L326 HydrophobicContact CZ-CD1 3.99Å; F320-L326 HydrophobicContact CZ-CG 4.43Å; L326-I433 HydrophobicContact CB-CB 4.47Å; L326-I433 HydrophobicContact CD2-CB 4.33Å; L326-I433 HydrophobicContact CG-CB 4.46Å; L326-I433 PolarHBondContact O-N 2.99Å; L326-I436 HydrophobicContact CD2-CD1 4.21Å; L326-P513 HydrophobicContact CD2-CG 3.9Å |
| 327 | R | 98 | Very high | 97.8 | Very high | 72 Ų | 72 | 26.7 Ų | 26.7 | 27% | 0.272 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 136.3 | 175.6 | -62.4 | -65.7 | 178.9 | 156 | 2.4 | 110.5 | M318 R319 D321 V325 H429 V431 | M318-R327 CarbonylContact C-O 3.57Å; M318-R327 WeakPolarHBondContact CA-O 3.42Å; R319-R327 PolarHBondContact N-O 3.12Å; R319-R327 PolarHBondContact O-N 2.89Å; D321-R327 HydrophobicContact CB-CG 3.98Å; D321-R327 IonicContact OD2-CZ 2.74Å; D321-R327 IonicContact OD2-NE 2.77Å; D321-R327 PolarHBondContact OD2-NE 3.04Å; D321-R327 IonicContact OD2-NH2 2.7Å; D321-R327 PolarHBondContact OD2-NH2 3.1Å; D321-R327 VanDerWaalsContact OD2-NH2 3.1Å; V325-R327 PolarHBondContact O-N 2.82Å; V325-R327 VanDerWaalsContact O-N 3.15Å; R327-H429 WeakPolarHBondContact CB-O 3.22Å; R327-V431 CarbonylContact C-O 3.55Å; R327-V431 WeakPolarHBondContact CA-O 3.22Å |
| 328 | A | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I270 W317 M318 G430 V431 I433 | I270-A328 HydrophobicContact CD1-CB 3.68Å; I270-A328 HydrophobicContact CG1-CB 4.28Å; W317-A328 CarbonylContact O-C 3.58Å; W317-A328 VanDerWaalsContact O-CA 3.31Å; W317-A328 WeakPolarHBondContact O-CA 3.23Å; M318-A328 HydrophobicContact CG-CB 3.75Å; M318-A328 HydrophobicContact SD-CB 4.42Å; A328-G430 CarbonylContact O-C 3.13Å; A328-G430 WeakPolarHBondContact O-CA 3.31Å; A328-V431 HydrophobicContact CB-CG2 4.48Å; A328-V431 PolarHBondContact N-O 3.46Å; A328-V431 PolarHBondContact O-N 3.32Å; A328-I433 HydrophobicContact CB-CD1 3.63Å; A328-I433 HydrophobicContact CB-CG1 3.58Å |
| 329 | I | 98.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 152.1 | 163.9 | 62.1 | 159.6 | 0 | 0 | 0 | 110.2 | L155 I270 W317 P331 | L155-I329 HydrophobicContact CB-CD1 3.58Å; L155-I329 HydrophobicContact CB-CG1 4.02Å; L155-I329 HydrophobicContact CD1-CG1 4.14Å; L155-I329 HydrophobicContact CD1-CG2 3.74Å; I270-I329 WeakPolarHBondContact CD1-O 3.4Å; W317-I329 HydrophobicContact CB-CG1 3.96Å; W317-I329 HydrophobicContact CE3-CD1 4.12Å; W317-I329 PolarHBondContact N-O 2.93Å; W317-I329 PolarHBondContact O-N 3.25Å; I329-P331 WeakPolarHBondContact O-CD 3.4Å |
| 330 | N | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | trans | -85.3 | 114.9 | 161.1 | 174.7 | 13.8 | 0 | 0 | 0 | 108.4 | V311 G312 E332 | V311-N330 HydrophobicContact CG1-CB 4.15Å; V311-N330 VanDerWaalsContact O-CB 3.29Å; V311-N330 WeakPolarHBondContact O-CB 3.15Å; V311-N330 PolarHBondContact O-ND2 3.02Å; G312-N330 WeakPolarHBondContact CA-ND2 3.37Å; N330-E332 PolarHBondContact ND2-O 3.13Å; N330-E332 PolarHBondContact O-N 2.79Å; N330-E332 WeakPolarHBondContact OD1-CB 3.1Å; N330-E332 PolarHBondContact OD1-N 3.02Å | ||
| 331 | P | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -70.2 | -18.7 | 177 | 27.6 | -31.4 | 0 | 0 | 0 | 113.1 | M148 G149 R177 A250 I315 W317 I329 | M148-P331 CarbonylContact C-O 3.45Å; M148-P331 WeakPolarHBondContact CA-O 3.27Å; M148-P331 HydrophobicContact CB-CB 4.03Å; M148-P331 HydrophobicContact CE-CB 3.95Å; G149-P331 PolarHBondContact N-O 3.48Å; R177-P331 PolarHBondContact NH1-O 2.88Å; A250-P331 HydrophobicContact CB-CB 4.47Å; A250-P331 HydrophobicContact CB-CG 4.14Å; I315-P331 HydrophobicContact CB-CG 3.88Å; I315-P331 HydrophobicContact CG2-CG 3.46Å; I315-P331 VanDerWaalsContact CG2-CG 3.46Å; I315-P331 WeakPolarHBondContact O-CD 3.21Å; W317-P331 HydrophobicContact CD2-CB 3.93Å; W317-P331 HydrophobicContact CD2-CG 4.14Å; W317-P331 HydrophobicContact CE3-CB 4.12Å; W317-P331 HydrophobicContact CG-CB 4.46Å; W317-P331 HydrophobicContact CG-CG 4.22Å; W317-P331 HydrophobicContact CH2-CB 4.28Å; W317-P331 HydrophobicContact CZ2-CB 4.1Å; W317-P331 HydrophobicContact CZ3-CB 4.28Å; I329-P331 WeakPolarHBondContact O-CD 3.4Å | ||
| 332 | E | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | trans | -88.3 | 154 | -176.4 | -51.2 | -166.1 | 89 | 0 | 0 | 112.7 | M148 M175 R177 K246 I315 N330 | M148-E332 HydrophobicContact CE-CG 4.22Å; M175-E332 HydrophobicContact CE-CB 4.42Å; M175-E332 WeakPolarHBondContact CE-OE1 3.44Å; M175-E332 WeakPolarHBondContact O-CA 3.36Å; R177-E332 PolarHBondContact NH1-O 3.37Å; R177-E332 PolarHBondContact NH2-O 3.23Å; K246-E332 WeakPolarHBondContact CD-OE1 3.25Å; K246-E332 VanDerWaalsContact CG-OE1 3.25Å; K246-E332 WeakPolarHBondContact CG-OE1 3.36Å; K246-E332 IonicContact NZ-OE1 3.59Å; K246-E332 PolarHBondContact NZ-OE1 2.89Å; K246-E332 IonicContact NZ-OE2 2.73Å; K246-E332 PolarHBondContact NZ-OE2 3.31Å; I315-E332 HydrophobicContact CD1-CG 4.23Å; N330-E332 PolarHBondContact ND2-O 3.13Å; N330-E332 PolarHBondContact O-N 2.79Å; N330-E332 WeakPolarHBondContact OD1-CB 3.1Å; N330-E332 PolarHBondContact OD1-N 3.02Å | ||
| 333 | A | 98.5 | Very high | 97.2 | Very high | 13 Ų | 13 | 17.8 Ų | 17.8 | 11% | 0.107 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -106.7 | -2.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I174 M175 R177 A415 | I174-A333 CarbonylContact O-C 3.57Å; M175-A333 PolarHBondContact O-N 2.89Å; R177-A333 HydrophobicContact CG-CB 4.43Å; A333-A415 VanDerWaalsContact O-CB 3.27Å; A333-A415 WeakPolarHBondContact O-CB 3.28Å; A333-A415 PolarHBondContact O-N 3.25Å |
| 334 | G | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 176 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112 | I174 M175 C413 | I174-G334 WeakPolarHBondContact O-CA 3.33Å; I174-G334 PolarHBondContact O-N 2.69Å; M175-G334 WeakPolarHBondContact CE-O 3.39Å; M175-G334 VanDerWaalsContact SD-C 3.51Å; G334-C413 CarbonylContact C-O 3.54Å; G334-C413 WeakPolarHBondContact CA-O 3.4Å |
| 335 | F | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.9 | 173.9 | -51.1 | -63.1 | 0 | 0 | 0 | 109.6 | M175 M298 D313 T353 F411 C412 C413 A415 C418 I421 | M175-F335 VanDerWaalsContact SD-C 3.59Å; M298-F335 HydrophobicContact CE-CB 4.32Å; M298-F335 HydrophobicContact CE-CD1 3.56Å; M298-F335 HydrophobicContact CE-CD2 3.32Å; M298-F335 HydrophobicContact CE-CE1 3.54Å; M298-F335 HydrophobicContact CE-CE2 3.27Å; M298-F335 HydrophobicContact CE-CG 3.44Å; M298-F335 VanDerWaalsContact CE-CG 3.44Å; M298-F335 HydrophobicContact CE-CZ 3.4Å; D313-F335 HydrophobicContact CB-CD1 3.98Å; D313-F335 HydrophobicContact CB-CE1 4.21Å; D313-F335 WeakPolarHBondContact OD1-CD1 3.22Å; F335-T353 HydrophobicContact CD2-CG2 4.05Å; F335-T353 HydrophobicContact CE2-CG2 4.2Å; F335-F411 HydrophobicContact CB-CE2 4.46Å; F335-C412 WeakPolarHBondContact O-CA 3.45Å; F335-C413 PolarHBondContact N-O 2.97Å; F335-C413 PolarHBondContact O-N 3.45Å; F335-A415 HydrophobicContact CD2-CB 4.35Å; F335-A415 HydrophobicContact CE1-CB 4.17Å; F335-A415 HydrophobicContact CE2-CB 3.74Å; F335-A415 HydrophobicContact CZ-CB 3.63Å; F335-C418 HydrophobicContact CE2-CB 3.8Å; F335-C418 HydrophobicContact CZ-CB 4.28Å; F335-I421 HydrophobicContact CZ-CD1 4.14Å |
| 336 | F | 97.7 | Very high | 96.7 | Very high | 8 Ų | 8 | 22.9 Ų | 22.9 | 4% | 0.035 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 64.2 | 172.2 | -167.1 | -112.3 | 0 | 0 | 0 | 108.9 | M175 L243 K246 R410 F411 C412 | M175-F336 HydrophobicContact CE-CB 3.82Å; M175-F336 HydrophobicContact SD-CB 3.91Å; L243-F336 HydrophobicContact CD1-CD2 4.39Å; L243-F336 HydrophobicContact CD1-CE2 4.39Å; K246-F336 HydrophobicContact CD-CB 4.32Å; F336-R410 HydrophobicContact CD1-CB 4.49Å; F336-R410 HydrophobicContact CD1-CG 4.07Å; F336-R410 HydrophobicContact CD2-CB 4.25Å; F336-R410 HydrophobicContact CE1-CB 4.05Å; F336-R410 HydrophobicContact CE1-CG 3.51Å; F336-R410 HydrophobicContact CE2-CB 3.77Å; F336-R410 HydrophobicContact CE2-CG 4.17Å; F336-R410 HydrophobicContact CZ-CB 3.66Å; F336-R410 HydrophobicContact CZ-CG 3.57Å; F336-R410 PolarHBondContact O-NH1 3.07Å; F336-F411 CarbonylContact C-O 3.59Å; F336-F411 WeakPolarHBondContact CA-O 3.44Å; F336-C412 HydrophobicContact CD2-CB 3.87Å; F336-C412 HydrophobicContact CE2-CB 4.24Å |
| 337 | G | 95.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 151.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A339 R410 F411 | G337-A339 PolarHBondContact O-N 3.14Å; G337-R410 WeakPolarHBondContact O-CA 3.47Å; G337-R410 WeakPolarHBondContact O-CD 3.22Å; G337-F411 PolarHBondContact N-O 3.08Å; G337-F411 PolarHBondContact O-N 2.85Å |
| 338 | V | 95 | Very high | 96.6 | Very high | 29 Ų | 29 | 20.9 Ų | 20.9 | 18% | 0.176 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 124.8 | 172.1 | 176 | 0 | 0 | 0 | 0 | 108.8 | T342 R410 | V338-T342 PolarHBondContact O-OG1 2.77Å; V338-T342 VanDerWaalsContact O-OG1 3.08Å; V338-R410 VanDerWaalsContact CG2-CZ 3.49Å |
| 339 | A | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -75.6 | -51.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G337 G341 T342 V363 W373 S409 F411 | G337-A339 PolarHBondContact O-N 3.14Å; A339-G341 PolarHBondContact O-N 2.83Å; A339-T342 WeakPolarHBondContact O-CB 3.29Å; A339-T342 PolarHBondContact O-N 2.62Å; A339-T342 PolarHBondContact O-OG1 2.66Å; A339-V363 HydrophobicContact CB-CG1 3.82Å; A339-W373 HydrophobicContact CB-CD2 3.84Å; A339-W373 HydrophobicContact CB-CE3 3.64Å; A339-W373 HydrophobicContact CB-CG 4.41Å; A339-W373 HydrophobicContact CB-CH2 4.36Å; A339-W373 HydrophobicContact CB-CZ3 3.91Å; A339-W373 PolarHBondContact O-NE1 3.26Å; A339-W373 VanDerWaalsContact O-NE1 3.13Å; A339-S409 PolarHBondContact N-O 2.81Å; A339-F411 HydrophobicContact CB-CD1 4.12Å | ||
| 340 | P | 95.3 | Very high | 96.6 | Very high | 29 Ų | 29 | 21.5 Ų | 21.5 | 19% | 0.188 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 135.5 | -176.9 | -26.2 | 37.3 | 0 | 0 | 0 | 112.7 | T342 W373 H406 S409 | P340-T342 VanDerWaalsContact C-N 3.28Å; P340-T342 PolarHBondContact O-N 3.26Å; P340-W373 HydrophobicContact CG-CB 4.4Å; P340-H406 WeakPolarHBondContact CG-O 3.39Å; P340-S409 VanDerWaalsContact CD-OG 3.25Å; P340-S409 WeakPolarHBondContact CD-OG 3.38Å; P340-S409 WeakPolarHBondContact CG-OG 3.34Å |
| 341 | G | 93 | Very high | 96.5 | Very high | 37 Ų | 37 | 22.1 Ų | 22.1 | 38% | 0.381 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -10 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A339 T346 E374 | A339-G341 PolarHBondContact O-N 2.83Å; G341-T346 WeakPolarHBondContact O-CB 3.22Å; G341-T346 PolarHBondContact O-OG1 3.18Å; G341-E374 PolarHBondContact N-O 2.94Å |
| 342 | T | 95.9 | Very high | 96.5 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | trans | -79.4 | 119 | 174.3 | -62.7 | 0 | 0 | 0 | 0 | 110 | V338 A339 P340 N347 A350 M351 W373 F411 | V338-T342 PolarHBondContact O-OG1 2.77Å; V338-T342 VanDerWaalsContact O-OG1 3.08Å; A339-T342 WeakPolarHBondContact O-CB 3.29Å; A339-T342 PolarHBondContact O-N 2.62Å; A339-T342 PolarHBondContact O-OG1 2.66Å; P340-T342 VanDerWaalsContact C-N 3.28Å; P340-T342 PolarHBondContact O-N 3.26Å; T342-N347 HydrophobicContact CG2-CB 4.31Å; T342-A350 HydrophobicContact CG2-CB 3.96Å; T342-M351 HydrophobicContact CG2-CG 4.15Å; T342-M351 HydrophobicContact CG2-SD 3.86Å; T342-W373 WeakPolarHBondContact O-CZ2 3.21Å; T342-W373 PolarHBondContact O-NE1 2.84Å; T342-F411 HydrophobicContact CG2-CE1 4.37Å | ||
| 343 | N | 95.5 | Very high | 96.5 | Very high | 20 Ų | 20 | 24.8 Ų | 24.8 | 11% | 0.107 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -153.6 | -179.7 | 175.9 | 62.4 | 44.2 | 0 | 0 | 0 | 110.1 | K345 T346 N347 G375 L376 | N343-K345 PolarHBondContact O-N 3.39Å; N343-K345 WeakPolarHBondContact OD1-CA 3.44Å; N343-K345 WeakPolarHBondContact OD1-CB 3.43Å; N343-K345 PolarHBondContact OD1-N 3.08Å; N343-T346 PolarHBondContact N-OG1 3.27Å; N343-T346 PolarHBondContact O-N 2.91Å; N343-T346 PolarHBondContact O-OG1 3.09Å; N343-T346 PolarHBondContact OD1-N 3.17Å; N343-T346 PolarHBondContact OD1-OG1 2.88Å; N343-N347 CarbonylContact O-C 3.56Å; N343-N347 VanDerWaalsContact O-C 3.25Å; N343-N347 PolarHBondContact O-N 3.18Å; N343-G375 PolarHBondContact ND2-O 3.34Å; N343-L376 HydrophobicContact CB-CD2 3.75Å |
| 344 | V | 94.3 | Very high | 96.5 | Very high | 89 Ų | 89 | 24.2 Ų | 24.2 | 54% | 0.539 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -19.4 | -179.2 | -62.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 345 | K | 93.5 | Very high | 96.4 | Very high | 148 Ų | 148 | 26.7 Ų | 26.7 | 64% | 0.643 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -36.9 | 176.3 | -57.5 | 172.7 | -179.8 | 168.9 | 0 | 111.6 | N343 D378 | N343-K345 PolarHBondContact O-N 3.39Å; N343-K345 WeakPolarHBondContact OD1-CA 3.44Å; N343-K345 WeakPolarHBondContact OD1-CB 3.43Å; N343-K345 PolarHBondContact OD1-N 3.08Å; K345-D378 IonicContact NZ-OD2 2.76Å; K345-D378 PolarHBondContact NZ-OD2 3.3Å |
| 346 | T | 94.1 | Very high | 96.4 | Very high | 22 Ų | 22 | 31 Ų | 31 | 14% | 0.135 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -31.8 | -171.8 | 61.2 | 0 | 0 | 0 | 0 | 114 | N295 G341 N343 F534 | N295-T346 PolarHBondContact ND2-O 3.1Å; G341-T346 WeakPolarHBondContact O-CB 3.22Å; G341-T346 PolarHBondContact O-OG1 3.18Å; N343-T346 PolarHBondContact N-OG1 3.27Å; N343-T346 PolarHBondContact O-N 2.91Å; N343-T346 PolarHBondContact O-OG1 3.09Å; N343-T346 PolarHBondContact OD1-N 3.17Å; N343-T346 PolarHBondContact OD1-OG1 2.88Å; T346-F534 VanDerWaalsContact CB-CE1 3.4Å; T346-F534 HydrophobicContact CG2-CD1 4.04Å; T346-F534 HydrophobicContact CG2-CD2 4.43Å; T346-F534 HydrophobicContact CG2-CE1 3.51Å; T346-F534 HydrophobicContact CG2-CE2 3.94Å; T346-F534 HydrophobicContact CG2-CG 4.47Å; T346-F534 HydrophobicContact CG2-CZ 3.44Å; T346-F534 VanDerWaalsContact CG2-CZ 3.44Å; T346-F534 WeakPolarHBondContact O-CD1 3.46Å |
| 347 | N | 96.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.011 | 19% | 0.185 | C | C | . | . | trans | -161.5 | 74.8 | 177.1 | -163.2 | -17.8 | 0 | 0 | 0 | 111.6 | T294 N295 T342 N343 N349 A350 M351 | T294-N347 PolarHBondContact O-ND2 2.78Å; N295-N347 WeakPolarHBondContact CA-ND2 3.47Å; T342-N347 HydrophobicContact CG2-CB 4.31Å; N343-N347 CarbonylContact O-C 3.56Å; N343-N347 VanDerWaalsContact O-C 3.25Å; N343-N347 PolarHBondContact O-N 3.18Å; N347-N349 PolarHBondContact O-N 2.82Å; N347-A350 HydrophobicContact CB-CB 3.97Å; N347-A350 VanDerWaalsContact ND2-CB 3.33Å; N347-A350 WeakPolarHBondContact ND2-CB 3.27Å; N347-A350 PolarHBondContact O-N 2.83Å; N347-A350 WeakPolarHBondContact OD1-CB 3.43Å; N347-A350 PolarHBondContact OD1-N 3.3Å; N347-M351 PolarHBondContact O-N 2.71Å; N347-M351 VanDerWaalsContact O-N 3.1Å | ||
| 348 | P | 97.2 | Very high | 96.5 | Very high | 29 Ų | 29 | 32.2 Ų | 32.2 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -32 | 179.2 | 19.1 | -26.6 | 0 | 0 | 0 | 112.9 | E300 M351 A352 | E300-P348 HydrophobicContact CB-CG 4Å; E300-P348 WeakPolarHBondContact OE2-CG 3.44Å; P348-M351 WeakPolarHBondContact O-CB 3.28Å; P348-M351 PolarHBondContact O-N 3.04Å; P348-A352 PolarHBondContact O-N 2.87Å |
| 349 | N | 98.4 | Very high | 96.7 | Very high | 17 Ų | 17 | 31 Ų | 31 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66 | -43.3 | 175.9 | -70.5 | -48.3 | 0 | 0 | 0 | 112.1 | M298 N347 A352 T353 P419 I420 | M298-N349 HydrophobicContact CB-CB 3.94Å; M298-N349 PolarHBondContact O-ND2 3.27Å; N347-N349 PolarHBondContact O-N 2.82Å; N349-A352 PolarHBondContact O-N 2.68Å; N349-T353 WeakPolarHBondContact O-CB 2.84Å; N349-T353 PolarHBondContact O-N 2.84Å; N349-T353 PolarHBondContact O-OG1 2.84Å; N349-P419 HydrophobicContact CB-CG 4.31Å; N349-P419 WeakPolarHBondContact OD1-CG 3.33Å; N349-I420 HydrophobicContact CB-CD1 4.28Å; N349-I420 HydrophobicContact CB-CG1 4.26Å; N349-I420 VanDerWaalsContact ND2-CD1 3.34Å; N349-I420 WeakPolarHBondContact ND2-CD1 3.3Å |
| 350 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | M298 T342 N347 T353 C354 F411 | M298-A350 HydrophobicContact SD-CB 3.86Å; T342-A350 HydrophobicContact CG2-CB 3.96Å; N347-A350 HydrophobicContact CB-CB 3.97Å; N347-A350 VanDerWaalsContact ND2-CB 3.33Å; N347-A350 WeakPolarHBondContact ND2-CB 3.27Å; N347-A350 PolarHBondContact O-N 2.83Å; N347-A350 WeakPolarHBondContact OD1-CB 3.43Å; N347-A350 PolarHBondContact OD1-N 3.3Å; A350-T353 WeakPolarHBondContact O-CB 3.43Å; A350-T353 PolarHBondContact O-N 2.95Å; A350-T353 VanDerWaalsContact O-N 3.17Å; A350-C354 PolarHBondContact O-N 3.33Å; A350-C354 PolarHBondContact O-SG 2.84Å; A350-F411 HydrophobicContact CB-CZ 4.21Å |
| 351 | M | 97.5 | Very high | 97 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 7% | 0.069 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.8 | -53.6 | 172.9 | -70.8 | -60.1 | -74.2 | 0 | 0 | 110.5 | T342 N347 P348 T353 C354 M355 W373 L376 | T342-M351 HydrophobicContact CG2-CG 4.15Å; T342-M351 HydrophobicContact CG2-SD 3.86Å; N347-M351 PolarHBondContact O-N 2.71Å; N347-M351 VanDerWaalsContact O-N 3.1Å; P348-M351 WeakPolarHBondContact O-CB 3.28Å; P348-M351 PolarHBondContact O-N 3.04Å; M351-T353 PolarHBondContact O-N 3.36Å; M351-C354 PolarHBondContact O-N 2.95Å; M351-C354 PolarHBondContact O-SG 3.03Å; M351-C354 VanDerWaalsContact O-SG 3.38Å; M351-M355 HydrophobicContact CB-CE 4.45Å; M351-M355 HydrophobicContact CE-CE 3.37Å; M351-M355 VanDerWaalsContact O-CG 3.27Å; M351-M355 WeakPolarHBondContact O-CG 3.35Å; M351-M355 PolarHBondContact O-N 3.04Å; M351-M355 HydrophobicContact SD-CE 4.08Å; M351-W373 HydrophobicContact CE-CZ2 4.42Å; M351-W373 HydrophobicContact SD-CH2 4.34Å; M351-W373 HydrophobicContact SD-CZ2 3.78Å; M351-L376 HydrophobicContact CE-CD2 4.13Å |
| 352 | A | 98 | Very high | 97.2 | Very high | 58 Ų | 58 | 27.9 Ų | 27.9 | 48% | 0.479 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58 | -36.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P348 N349 P419 | P348-A352 PolarHBondContact O-N 2.87Å; N349-A352 PolarHBondContact O-N 2.68Å; A352-P419 HydrophobicContact CB-CG 4.13Å |
| 353 | T | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.3 | -39.4 | -178.8 | -52.8 | 0 | 0 | 0 | 0 | 112.3 | F335 N349 A350 M351 C413 Q417 C418 | F335-T353 HydrophobicContact CD2-CG2 4.05Å; F335-T353 HydrophobicContact CE2-CG2 4.2Å; N349-T353 WeakPolarHBondContact O-CB 2.84Å; N349-T353 PolarHBondContact O-N 2.84Å; N349-T353 PolarHBondContact O-OG1 2.84Å; A350-T353 WeakPolarHBondContact O-CB 3.43Å; A350-T353 PolarHBondContact O-N 2.95Å; A350-T353 VanDerWaalsContact O-N 3.17Å; M351-T353 PolarHBondContact O-N 3.36Å; T353-C413 HydrophobicContact CG2-CB 4.5Å; T353-Q417 HydrophobicContact CG2-CB 4.07Å; T353-Q417 PolarHBondContact O-NE2 2.87Å; T353-C418 HydrophobicContact CG2-CB 4.12Å; T353-C418 VanDerWaalsContact OG1-CA 3.31Å; T353-C418 WeakPolarHBondContact OG1-CA 3.26Å |
| 354 | C | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -90.3 | -1.8 | -172.1 | 71.2 | 0 | 0 | 0 | 0 | 114.8 | N76 A350 M351 K356 T358 F360 F411 | N76-C354 PolarHBondContact ND2-O 2.81Å; A350-C354 PolarHBondContact O-N 3.33Å; A350-C354 PolarHBondContact O-SG 2.84Å; M351-C354 PolarHBondContact O-N 2.95Å; M351-C354 PolarHBondContact O-SG 3.03Å; M351-C354 VanDerWaalsContact O-SG 3.38Å; C354-K356 VanDerWaalsContact C-N 3.26Å; C354-K356 PolarHBondContact O-N 3.2Å; C354-T358 WeakPolarHBondContact CA-OG1 3.35Å; C354-T358 HydrophobicContact CB-CG2 4.11Å; C354-T358 VanDerWaalsContact O-CB 3.28Å; C354-T358 WeakPolarHBondContact O-CB 3.39Å; C354-T358 PolarHBondContact O-OG1 3.48Å; C354-T358 VanDerWaalsContact O-OG1 3.07Å; C354-F360 HydrophobicContact CB-CE1 4.35Å; C354-F360 HydrophobicContact CB-CZ 4.08Å; C354-F360 WeakPolarHBondContact O-CZ 3.35Å; C354-F411 HydrophobicContact CB-CB 4.24Å; C354-F411 HydrophobicContact CB-CD2 4.18Å; C354-F411 HydrophobicContact CB-CG 4.15Å |
| 355 | M | 97.3 | Very high | 97.6 | Very high | 53 Ų | 53 | 24.3 Ų | 24.3 | 26% | 0.261 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 0.3 | 178.9 | -64.7 | -54.3 | 143.3 | 0 | 0 | 115 | Y73 N76 M351 I371 | Y73-M355 HydrophobicContact CD1-CB 4.48Å; Y73-M355 HydrophobicContact CD1-SD 3.75Å; Y73-M355 HydrophobicContact CE1-SD 3.44Å; Y73-M355 WeakPolarHBondContact CE1-SD 3.35Å; N76-M355 VanDerWaalsContact ND2-C 3.32Å; N76-M355 PolarHBondContact ND2-O 2.85Å; M351-M355 HydrophobicContact CB-CE 4.45Å; M351-M355 HydrophobicContact CE-CE 3.37Å; M351-M355 VanDerWaalsContact O-CG 3.27Å; M351-M355 WeakPolarHBondContact O-CG 3.35Å; M351-M355 PolarHBondContact O-N 3.04Å; M351-M355 HydrophobicContact SD-CE 4.08Å; M355-I371 HydrophobicContact CE-CD1 3.7Å; M355-I371 HydrophobicContact SD-CD1 4.2Å |
| 356 | K | 97.7 | Very high | 97.8 | Very high | 89 Ų | 89 | 17.3 Ų | 17.3 | 39% | 0.387 | 10% | 0.096 | S | C | . | . | B | Isolated β-bridge | trans | -146 | 155 | 171.5 | 66.3 | -178.6 | -178.4 | -178.7 | 0 | 112.9 | E74 N76 C354 T358 Q417 | E74-K356 HydrophobicContact CB-CB 4Å; E74-K356 CarbonylContact O-C 3.59Å; E74-K356 WeakPolarHBondContact O-CA 3.03Å; E74-K356 WeakPolarHBondContact O-CB 3.5Å; N76-K356 WeakPolarHBondContact OD1-CA 3.28Å; N76-K356 PolarHBondContact OD1-N 2.93Å; C354-K356 VanDerWaalsContact C-N 3.26Å; C354-K356 PolarHBondContact O-N 3.2Å; K356-T358 PolarHBondContact O-N 3.09Å; K356-T358 VanDerWaalsContact O-N 3.08Å; K356-T358 PolarHBondContact O-OG1 3.45Å; K356-Q417 PolarHBondContact O-NE2 3.45Å |
| 357 | N | 98.1 | Very high | 97.7 | Very high | 35 Ų | 35 | 23.4 Ų | 23.4 | 19% | 0.187 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 47.6 | 34.8 | 177.9 | -53.9 | -64.1 | 0 | 0 | 0 | 114.9 | R54 E74 N75 N76 P414 Q417 | R54-N357 PolarHBondContact NH2-O 3.44Å; E74-N357 PolarHBondContact O-N 2.93Å; N75-N357 WeakPolarHBondContact CB-OD1 3.31Å; N75-N357 PolarHBondContact ND2-OD1 3.33Å; N75-N357 WeakPolarHBondContact O-CA 3.5Å; N76-N357 PolarHBondContact OD1-N 2.99Å; N357-P414 HydrophobicContact CB-CG 4.48Å; N357-Q417 VanDerWaalsContact CB-OE1 3.27Å; N357-Q417 PolarHBondContact ND2-OE1 2.84Å |
| 358 | T | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -114.9 | 140.4 | -170.5 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | N76 Y77 C354 K356 F360 F411 C412 C413 | N76-T358 VanDerWaalsContact CA-O 3.26Å; N76-T358 WeakPolarHBondContact CA-O 3.48Å; N76-T358 WeakPolarHBondContact OD1-CB 3.42Å; N76-T358 PolarHBondContact OD1-N 3.3Å; Y77-T358 PolarHBondContact N-O 3.37Å; C354-T358 WeakPolarHBondContact CA-OG1 3.35Å; C354-T358 HydrophobicContact CB-CG2 4.11Å; C354-T358 VanDerWaalsContact O-CB 3.28Å; C354-T358 WeakPolarHBondContact O-CB 3.39Å; C354-T358 PolarHBondContact O-OG1 3.48Å; C354-T358 VanDerWaalsContact O-OG1 3.07Å; K356-T358 PolarHBondContact O-N 3.09Å; K356-T358 VanDerWaalsContact O-N 3.08Å; K356-T358 PolarHBondContact O-OG1 3.45Å; T358-F360 HydrophobicContact CG2-CD1 4.45Å; T358-F360 HydrophobicContact CG2-CD2 3.9Å; T358-F360 HydrophobicContact CG2-CE1 4.13Å; T358-F360 HydrophobicContact CG2-CE2 3.53Å; T358-F360 HydrophobicContact CG2-CG 4.35Å; T358-F360 HydrophobicContact CG2-CZ 3.66Å; T358-F411 HydrophobicContact CG2-CB 3.9Å; T358-C412 WeakPolarHBondContact CA-O 3.35Å; T358-C413 HydrophobicContact CG2-CB 4.03Å; T358-C413 WeakPolarHBondContact OG1-CB 3.16Å | ||
| 359 | I | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.1 | 168.7 | -61 | 172 | 0 | 0 | 0 | 108.2 | L67 T79 Y167 L170 I174 C412 | L67-I359 HydrophobicContact CD1-CG2 4.15Å; T79-I359 HydrophobicContact CG2-CG2 4.48Å; Y167-I359 HydrophobicContact CE2-CG2 3.97Å; L170-I359 HydrophobicContact CB-CD1 3.7Å; L170-I359 HydrophobicContact CD1-CD1 4.27Å; I174-I359 HydrophobicContact CD1-CD1 4.22Å; I174-I359 HydrophobicContact CD1-CG1 4.4Å; I359-C412 HydrophobicContact CB-CB 4.41Å; I359-C412 PolarHBondContact N-O 2.94Å; I359-C412 PolarHBondContact O-N 2.86Å |
| 360 | F | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 139.5 | 172.2 | -63.5 | -90.9 | 0 | 0 | 0 | 110.2 | L70 N76 Y77 I78 T79 C354 T358 V363 I371 W373 R410 F411 | L70-F360 HydrophobicContact CD1-CD2 3.72Å; L70-F360 HydrophobicContact CD1-CE2 4.13Å; N76-F360 HydrophobicContact CB-CE2 4.24Å; N76-F360 WeakPolarHBondContact ND2-CE2 3.18Å; Y77-F360 PolarHBondContact O-N 2.93Å; I78-F360 CarbonylContact C-O 3.27Å; I78-F360 WeakPolarHBondContact CA-O 3.42Å; I78-F360 HydrophobicContact CG1-CB 4.46Å; T79-F360 PolarHBondContact N-O 3.35Å; C354-F360 HydrophobicContact CB-CE1 4.35Å; C354-F360 HydrophobicContact CB-CZ 4.08Å; C354-F360 WeakPolarHBondContact O-CZ 3.35Å; T358-F360 HydrophobicContact CG2-CD1 4.45Å; T358-F360 HydrophobicContact CG2-CD2 3.9Å; T358-F360 HydrophobicContact CG2-CE1 4.13Å; T358-F360 HydrophobicContact CG2-CE2 3.53Å; T358-F360 HydrophobicContact CG2-CG 4.35Å; T358-F360 HydrophobicContact CG2-CZ 3.66Å; F360-V363 HydrophobicContact CB-CG1 4.24Å; F360-V363 HydrophobicContact CB-CG2 3.58Å; F360-V363 HydrophobicContact CD1-CG1 4.17Å; F360-V363 HydrophobicContact CD1-CG2 4.33Å; F360-V363 HydrophobicContact CG-CG2 4.17Å; F360-I371 HydrophobicContact CD2-CG2 4.26Å; F360-I371 HydrophobicContact CE1-CD1 3.93Å; F360-I371 HydrophobicContact CE1-CG2 4.46Å; F360-I371 HydrophobicContact CE2-CG2 4.15Å; F360-I371 HydrophobicContact CG-CG2 4.47Å; F360-I371 HydrophobicContact CZ-CD1 3.81Å; F360-I371 HydrophobicContact CZ-CG2 4.25Å; F360-W373 HydrophobicContact CD1-CZ3 4.02Å; F360-W373 HydrophobicContact CE1-CH2 4.04Å; F360-W373 AromaticContact CE1-CZ3 3.75Å; F360-W373 HydrophobicContact CE1-CZ3 3.75Å; F360-R410 CarbonylContact C-O 3.58Å; F360-R410 WeakPolarHBondContact CA-O 3.28Å; F360-F411 HydrophobicContact CD1-CB 3.75Å; F360-F411 HydrophobicContact CE1-CB 3.66Å; F360-F411 HydrophobicContact CZ-CB 4.48Å |
| 361 | T | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.1 | -179.2 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | T79 T81 Y167 V363 S409 R410 | T79-T361 HydrophobicContact CG2-CG2 4.09Å; T79-T361 WeakPolarHBondContact O-CA 3.31Å; T81-T361 HydrophobicContact CG2-CG2 3.66Å; Y167-T361 PolarHBondContact OH-OG1 3.49Å; T361-V363 VanDerWaalsContact C-N 3.28Å; T361-V363 PolarHBondContact O-N 2.85Å; T361-S409 VanDerWaalsContact O-CA 3.28Å; T361-S409 WeakPolarHBondContact O-CA 3.46Å; T361-S409 WeakPolarHBondContact O-CB 3.26Å; T361-R410 PolarHBondContact N-O 3.29Å; T361-R410 PolarHBondContact O-N 3.05Å |
| 362 | N | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 62.2 | 25.1 | 179.5 | -58.2 | -20.4 | 0 | 0 | 0 | 115.5 | T79 C80 T81 W389 H406 S409 | T79-N362 PolarHBondContact O-N 3.27Å; C80-N362 WeakPolarHBondContact CA-OD1 3.44Å; T81-N362 PolarHBondContact N-OD1 3.49Å; T81-N362 PolarHBondContact OG1-ND2 3.12Å; T81-N362 PolarHBondContact OG1-OD1 3.36Å; N362-W389 HydrophobicContact CB-CB 4.26Å; N362-W389 HydrophobicContact CB-CD2 4.26Å; N362-W389 HydrophobicContact CB-CE3 3.79Å; N362-W389 HydrophobicContact CB-CG 4.5Å; N362-W389 WeakPolarHBondContact O-CB 3.2Å; N362-H406 HydrophobicContact CB-CB 3.69Å; N362-H406 PolarHBondContact O-N 2.68Å; N362-S409 WeakPolarHBondContact O-CB 3.41Å |
| 363 | V | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | trans | -82.5 | 165 | 167.1 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | I78 A339 F360 T361 W373 | I78-V363 HydrophobicContact CD1-CG2 3.5Å; I78-V363 HydrophobicContact CG1-CG2 3.95Å; A339-V363 HydrophobicContact CB-CG1 3.82Å; F360-V363 HydrophobicContact CB-CG1 4.24Å; F360-V363 HydrophobicContact CB-CG2 3.58Å; F360-V363 HydrophobicContact CD1-CG1 4.17Å; F360-V363 HydrophobicContact CD1-CG2 4.33Å; F360-V363 HydrophobicContact CG-CG2 4.17Å; T361-V363 VanDerWaalsContact C-N 3.28Å; T361-V363 PolarHBondContact O-N 2.85Å; V363-W373 HydrophobicContact CB-CE3 4.17Å; V363-W373 HydrophobicContact CG1-CE3 3.81Å; V363-W373 HydrophobicContact CG1-CZ3 4.21Å | ||
| 364 | A | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 168.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F372 I386 I387 K404 | A364-F372 WeakPolarHBondContact CA-O 3.46Å; A364-F372 HydrophobicContact CB-CB 3.98Å; A364-F372 HydrophobicContact CB-CD1 3.93Å; A364-F372 HydrophobicContact CB-CG 4.46Å; A364-F372 WeakPolarHBondContact CB-O 3.32Å; A364-F372 PolarHBondContact N-O 2.88Å; A364-F372 PolarHBondContact O-N 3.25Å; A364-I386 HydrophobicContact CB-CG2 3.75Å; A364-I387 WeakPolarHBondContact CA-O 3.45Å; A364-I387 WeakPolarHBondContact CB-O 3.47Å; A364-K404 HydrophobicContact CB-CB 4.1Å; A364-K404 WeakPolarHBondContact CB-O 3.39Å |
| 365 | Q | 97.6 | Very high | 97 | Very high | 38 Ų | 38 | 29.5 Ų | 29.5 | 18% | 0.178 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 153.6 | 170 | 64.4 | -179.6 | 14.3 | 0 | 0 | 111.1 | L70 I78 H370 I386 I387 | L70-Q365 HydrophobicContact CD2-CB 4.46Å; I78-Q365 HydrophobicContact CD1-CB 4.24Å; I78-Q365 HydrophobicContact CD1-CG 4.44Å; Q365-H370 CarbonylContact C-O 3.5Å; Q365-H370 WeakPolarHBondContact CA-O 3.49Å; Q365-I386 CarbonylContact O-C 3.53Å; Q365-I386 WeakPolarHBondContact O-CA 3.41Å; Q365-I387 HydrophobicContact CG-CB 4.04Å; Q365-I387 HydrophobicContact CG-CD1 4.34Å; Q365-I387 PolarHBondContact N-O 3.35Å; Q365-I387 PolarHBondContact O-N 3.39Å |
| 366 | T | 96.9 | Very high | 97 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 166.2 | 164.3 | 62.7 | 0 | 0 | 0 | 0 | 110.1 | D368 G369 H370 Y380 T384 E385 I386 | T366-D368 WeakPolarHBondContact CB-OD1 3.46Å; T366-D368 PolarHBondContact O-N 3.44Å; T366-D368 PolarHBondContact OG1-OD1 3.36Å; T366-G369 PolarHBondContact O-N 3.04Å; T366-G369 PolarHBondContact OG1-N 3.3Å; T366-H370 HydrophobicContact CG2-CB 4.06Å; T366-H370 PolarHBondContact N-O 3.43Å; T366-H370 WeakPolarHBondContact OG1-CA 3.4Å; T366-H370 VanDerWaalsContact OG1-CB 3.31Å; T366-H370 WeakPolarHBondContact OG1-CB 3.46Å; T366-H370 PolarHBondContact OG1-N 3.04Å; T366-H370 PolarHBondContact OG1-O 3.48Å; T366-Y380 HydrophobicContact CG2-CD1 4.02Å; T366-Y380 HydrophobicContact CG2-CE1 3.63Å; T366-T384 HydrophobicContact CG2-CG2 3.69Å; T366-E385 WeakPolarHBondContact CA-O 3.49Å; T366-I386 HydrophobicContact CG2-CD1 3.86Å |
| 367 | K | 92.8 | Very high | 96.8 | Very high | 150 Ų | 150 | 26.7 Ų | 26.7 | 65% | 0.652 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30.8 | 177.1 | -176.2 | 171.6 | -177.5 | 175.1 | 0 | 114.6 | G369 E385 | K367-G369 VanDerWaalsContact C-N 3.33Å; K367-E385 WeakPolarHBondContact CD-OE2 3.27Å; K367-E385 PolarHBondContact N-O 2.82Å; K367-E385 IonicContact NZ-OE2 2.94Å; K367-E385 PolarHBondContact NZ-OE2 3.2Å |
| 368 | D | 91.6 | Very high | 96.6 | Very high | 100 Ų | 100 | 31.5 Ų | 31.5 | 54% | 0.535 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 4.5 | 175.8 | 56.7 | -17.7 | 0 | 0 | 0 | 113.5 | P72 T366 H370 | P72-D368 WeakPolarHBondContact CD-O 3.39Å; P72-D368 WeakPolarHBondContact CG-O 3.43Å; T366-D368 WeakPolarHBondContact CB-OD1 3.46Å; T366-D368 PolarHBondContact O-N 3.44Å; T366-D368 PolarHBondContact OG1-OD1 3.36Å; D368-H370 IonicContact OD1-CD2 2.78Å; D368-H370 IonicContact OD2-CD2 3.1Å; D368-H370 PolarHBondContact OD2-CD2 3.03Å; D368-H370 VanDerWaalsContact OD2-CD2 3.3Å; D368-H370 IonicContact OD2-NE2 3.4Å |
| 369 | G | 95.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | trans | 86.9 | 18.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L70 P72 T366 K367 | L70-G369 WeakPolarHBondContact CD2-O 3.45Å; P72-G369 WeakPolarHBondContact CD-O 3.49Å; T366-G369 PolarHBondContact O-N 3.04Å; T366-G369 PolarHBondContact OG1-N 3.3Å; K367-G369 VanDerWaalsContact C-N 3.33Å | ||
| 370 | H | 97.2 | Very high | 96.1 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | trans | -74.5 | 139 | 166.4 | -67.2 | -78.8 | 0 | 0 | 0 | 110 | P72 Y73 Q365 T366 D368 Y380 | P72-H370 VanDerWaalsContact CB-CE1 3.45Å; P72-H370 WeakPolarHBondContact CB-CE1 3.45Å; Y73-H370 WeakPolarHBondContact OH-CA 3.32Å; Y73-H370 PolarHBondContact OH-ND1 3.12Å; Q365-H370 CarbonylContact C-O 3.5Å; Q365-H370 WeakPolarHBondContact CA-O 3.49Å; T366-H370 HydrophobicContact CG2-CB 4.06Å; T366-H370 PolarHBondContact N-O 3.43Å; T366-H370 WeakPolarHBondContact OG1-CA 3.4Å; T366-H370 VanDerWaalsContact OG1-CB 3.31Å; T366-H370 WeakPolarHBondContact OG1-CB 3.46Å; T366-H370 PolarHBondContact OG1-N 3.04Å; T366-H370 PolarHBondContact OG1-O 3.48Å; D368-H370 IonicContact OD1-CD2 2.78Å; D368-H370 IonicContact OD2-CD2 3.1Å; D368-H370 PolarHBondContact OD2-CD2 3.03Å; D368-H370 VanDerWaalsContact OD2-CD2 3.3Å; D368-H370 IonicContact OD2-NE2 3.4Å; H370-Y380 HydrophobicContact CB-CE1 4.25Å | ||
| 371 | I | 97.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 146 | -179.6 | 64.5 | -167 | 0 | 0 | 0 | 111.4 | L70 Y73 M355 F360 W373 Y380 | L70-I371 HydrophobicContact CD1-CG2 3.65Å; Y73-I371 HydrophobicContact CE2-CG2 3.85Å; Y73-I371 PolarHBondContact OH-N 2.86Å; M355-I371 HydrophobicContact CE-CD1 3.7Å; M355-I371 HydrophobicContact SD-CD1 4.2Å; F360-I371 HydrophobicContact CD2-CG2 4.26Å; F360-I371 HydrophobicContact CE1-CD1 3.93Å; F360-I371 HydrophobicContact CE1-CG2 4.46Å; F360-I371 HydrophobicContact CE2-CG2 4.15Å; F360-I371 HydrophobicContact CG-CG2 4.47Å; F360-I371 HydrophobicContact CZ-CD1 3.81Å; F360-I371 HydrophobicContact CZ-CG2 4.25Å; I371-W373 HydrophobicContact CB-CZ3 4.12Å; I371-W373 HydrophobicContact CD1-CH2 3.54Å; I371-W373 HydrophobicContact CD1-CZ3 3.59Å; I371-W373 HydrophobicContact CG1-CH2 4.19Å; I371-W373 HydrophobicContact CG1-CZ3 3.92Å; I371-Y380 PolarHBondContact O-OH 3.28Å |
| 372 | F | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 146.2 | 172.2 | -178.1 | -92.2 | 0 | 0 | 0 | 111.6 | A364 L376 E377 Y380 I386 L396 K404 | A364-F372 WeakPolarHBondContact CA-O 3.46Å; A364-F372 HydrophobicContact CB-CB 3.98Å; A364-F372 HydrophobicContact CB-CD1 3.93Å; A364-F372 HydrophobicContact CB-CG 4.46Å; A364-F372 WeakPolarHBondContact CB-O 3.32Å; A364-F372 PolarHBondContact N-O 2.88Å; A364-F372 PolarHBondContact O-N 3.25Å; F372-L376 HydrophobicContact CD2-CB 4.16Å; F372-L376 HydrophobicContact CE2-CB 4.16Å; F372-E377 HydrophobicContact CZ-CG 4.2Å; F372-Y380 AromaticContact CD2-CD2 3.77Å; F372-Y380 HydrophobicContact CD2-CD2 3.77Å; F372-Y380 AromaticContact CD2-CE2 3.86Å; F372-Y380 HydrophobicContact CD2-CE2 3.86Å; F372-Y380 HydrophobicContact CE2-CD2 4.16Å; F372-I386 HydrophobicContact CB-CD1 4Å; F372-I386 HydrophobicContact CD1-CD1 4.39Å; F372-I386 HydrophobicContact CD1-CG2 4.31Å; F372-I386 HydrophobicContact CD2-CD1 4.27Å; F372-I386 HydrophobicContact CG-CD1 3.93Å; F372-L396 HydrophobicContact CD2-CD1 4.41Å; F372-L396 HydrophobicContact CE1-CD1 3.87Å; F372-L396 HydrophobicContact CE2-CD1 3.52Å; F372-L396 HydrophobicContact CE2-CD2 4.35Å; F372-L396 HydrophobicContact CZ-CD1 3.22Å; F372-K404 HydrophobicContact CD1-CB 3.89Å; F372-K404 HydrophobicContact CD1-CG 4.42Å; F372-K404 HydrophobicContact CE1-CB 3.78Å; F372-K404 HydrophobicContact CE1-CG 3.95Å |
| 373 | W | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -159.9 | 165.3 | 167.5 | 52.8 | 68.3 | 0 | 0 | 0 | 109.1 | A339 P340 T342 M351 F360 V363 I371 G375 L376 A405 | A339-W373 HydrophobicContact CB-CD2 3.84Å; A339-W373 HydrophobicContact CB-CE3 3.64Å; A339-W373 HydrophobicContact CB-CG 4.41Å; A339-W373 HydrophobicContact CB-CH2 4.36Å; A339-W373 HydrophobicContact CB-CZ3 3.91Å; A339-W373 PolarHBondContact O-NE1 3.26Å; A339-W373 VanDerWaalsContact O-NE1 3.13Å; P340-W373 HydrophobicContact CG-CB 4.4Å; T342-W373 WeakPolarHBondContact O-CZ2 3.21Å; T342-W373 PolarHBondContact O-NE1 2.84Å; M351-W373 HydrophobicContact CE-CZ2 4.42Å; M351-W373 HydrophobicContact SD-CH2 4.34Å; M351-W373 HydrophobicContact SD-CZ2 3.78Å; F360-W373 HydrophobicContact CD1-CZ3 4.02Å; F360-W373 HydrophobicContact CE1-CH2 4.04Å; F360-W373 AromaticContact CE1-CZ3 3.75Å; F360-W373 HydrophobicContact CE1-CZ3 3.75Å; V363-W373 HydrophobicContact CB-CE3 4.17Å; V363-W373 HydrophobicContact CG1-CE3 3.81Å; V363-W373 HydrophobicContact CG1-CZ3 4.21Å; I371-W373 HydrophobicContact CB-CZ3 4.12Å; I371-W373 HydrophobicContact CD1-CH2 3.54Å; I371-W373 HydrophobicContact CD1-CZ3 3.59Å; I371-W373 HydrophobicContact CG1-CH2 4.19Å; I371-W373 HydrophobicContact CG1-CZ3 3.92Å; W373-G375 PolarHBondContact O-N 2.88Å; W373-L376 HydrophobicContact CD2-CD1 3.67Å; W373-L376 HydrophobicContact CD2-CG 4.43Å; W373-L376 VanDerWaalsContact CE2-CD1 3.42Å; W373-L376 HydrophobicContact CE3-CD1 4.28Å; W373-L376 HydrophobicContact CG-CD1 3.94Å; W373-L376 HydrophobicContact CG-CG 4.34Å; W373-L376 HydrophobicContact CH2-CD1 4.48Å; W373-L376 HydrophobicContact CZ2-CD1 3.88Å; W373-L376 WeakPolarHBondContact O-CB 3.45Å; W373-L376 PolarHBondContact O-N 3.27Å; W373-L376 VanDerWaalsContact O-N 3.11Å; W373-A405 HydrophobicContact CB-CB 3.61Å | ||
| 374 | E | 96.3 | Very high | 95.4 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 23% | 0.234 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 125.1 | 177.3 | -73.1 | 63.4 | -148.6 | 0 | 0 | 110.8 | G341 E377 P403 K404 A405 | G341-E374 PolarHBondContact N-O 2.94Å; E374-E377 WeakPolarHBondContact CA-OE1 3.44Å; E374-P403 HydrophobicContact CG-CB 4.12Å; E374-P403 WeakPolarHBondContact OE1-CA 3.22Å; E374-P403 WeakPolarHBondContact OE1-CB 3.47Å; E374-K404 PolarHBondContact OE1-N 3.35Å; E374-A405 PolarHBondContact OE2-N 3Å |
| 375 | G | 94.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 55.7 Ų | 55.7 | 26% | 0.258 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.6 | -2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N343 W373 E377 | N343-G375 PolarHBondContact ND2-O 3.34Å; W373-G375 PolarHBondContact O-N 2.88Å; G375-E377 WeakPolarHBondContact CA-OE2 3.4Å; G375-E377 VanDerWaalsContact N-CD 3.34Å; G375-E377 PolarHBondContact N-OE1 2.86Å; G375-E377 VanDerWaalsContact N-OE1 3.09Å; G375-E377 PolarHBondContact N-OE2 3.09Å |
| 376 | L | 96.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | trans | -105.8 | 6.9 | 173.2 | -66.8 | 176.1 | 0 | 0 | 0 | 113.7 | N343 M351 F372 W373 D378 Q379 Y380 | N343-L376 HydrophobicContact CB-CD2 3.75Å; M351-L376 HydrophobicContact CE-CD2 4.13Å; F372-L376 HydrophobicContact CD2-CB 4.16Å; F372-L376 HydrophobicContact CE2-CB 4.16Å; W373-L376 HydrophobicContact CD2-CD1 3.67Å; W373-L376 HydrophobicContact CD2-CG 4.43Å; W373-L376 VanDerWaalsContact CE2-CD1 3.42Å; W373-L376 HydrophobicContact CE3-CD1 4.28Å; W373-L376 HydrophobicContact CG-CD1 3.94Å; W373-L376 HydrophobicContact CG-CG 4.34Å; W373-L376 HydrophobicContact CH2-CD1 4.48Å; W373-L376 HydrophobicContact CZ2-CD1 3.88Å; W373-L376 WeakPolarHBondContact O-CB 3.45Å; W373-L376 PolarHBondContact O-N 3.27Å; W373-L376 VanDerWaalsContact O-N 3.11Å; L376-D378 PolarHBondContact O-N 2.97Å; L376-Q379 VanDerWaalsContact CD2-NE2 3.26Å; L376-Q379 WeakPolarHBondContact O-CB 3.42Å; L376-Q379 PolarHBondContact O-N 2.88Å; L376-Y380 HydrophobicContact CB-CE2 4.28Å; L376-Y380 WeakPolarHBondContact O-CD2 3.38Å | ||
| 377 | E | 94.5 | Very high | 95.3 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 38% | 0.383 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -55 | -39.7 | -174 | -61.6 | 80 | -177.9 | 0 | 0 | 112.4 | F372 E374 G375 Q379 Y380 L396 | F372-E377 HydrophobicContact CZ-CG 4.2Å; E374-E377 WeakPolarHBondContact CA-OE1 3.44Å; G375-E377 WeakPolarHBondContact CA-OE2 3.4Å; G375-E377 VanDerWaalsContact N-CD 3.34Å; G375-E377 PolarHBondContact N-OE1 2.86Å; G375-E377 VanDerWaalsContact N-OE1 3.09Å; G375-E377 PolarHBondContact N-OE2 3.09Å; E377-Q379 PolarHBondContact O-N 3.37Å; E377-Y380 PolarHBondContact O-N 3.41Å; E377-Y380 VanDerWaalsContact O-N 3.15Å; E377-L396 HydrophobicContact CG-CD1 4.46Å |
| 378 | D | 92.5 | Very high | 95.5 | Very high | 136 Ų | 136 | 48.8 Ų | 48.8 | 73% | 0.727 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -60.2 | -14.8 | 179.4 | -70.2 | -12.1 | 0 | 0 | 0 | 114.1 | K345 L376 | K345-D378 IonicContact NZ-OD2 2.76Å; K345-D378 PolarHBondContact NZ-OD2 3.3Å; L376-D378 PolarHBondContact O-N 2.97Å |
| 379 | Q | 92.4 | Very high | 95.8 | Very high | 92 Ų | 92 | 44.9 Ų | 44.9 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -93.6 | -8.2 | -177.7 | -59.3 | -176.3 | 22.3 | 0 | 0 | 113.4 | L376 E377 | L376-Q379 VanDerWaalsContact CD2-NE2 3.26Å; L376-Q379 WeakPolarHBondContact O-CB 3.42Å; L376-Q379 PolarHBondContact O-N 2.88Å; E377-Q379 PolarHBondContact O-N 3.37Å |
| 380 | Y | 94.5 | Very high | 95.8 | Very high | 44 Ų | 44 | 47.3 Ų | 47.3 | 17% | 0.173 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -130.1 | 151.6 | -171.9 | -63.3 | -77.8 | 0 | 0 | 0 | 111.2 | T366 H370 I371 F372 L376 E377 T384 | T366-Y380 HydrophobicContact CG2-CD1 4.02Å; T366-Y380 HydrophobicContact CG2-CE1 3.63Å; H370-Y380 HydrophobicContact CB-CE1 4.25Å; I371-Y380 PolarHBondContact O-OH 3.28Å; F372-Y380 AromaticContact CD2-CD2 3.77Å; F372-Y380 HydrophobicContact CD2-CD2 3.77Å; F372-Y380 AromaticContact CD2-CE2 3.86Å; F372-Y380 HydrophobicContact CD2-CE2 3.86Å; F372-Y380 HydrophobicContact CE2-CD2 4.16Å; L376-Y380 HydrophobicContact CB-CE2 4.28Å; L376-Y380 WeakPolarHBondContact O-CD2 3.38Å; E377-Y380 PolarHBondContact O-N 3.41Å; E377-Y380 VanDerWaalsContact O-N 3.15Å; Y380-T384 HydrophobicContact CD1-CG2 4.01Å; Y380-T384 HydrophobicContact CG-CG2 4.5Å |
| 381 | S | 95.1 | Very high | 95.6 | Very high | 66 Ų | 66 | 46.1 Ų | 46.1 | 46% | 0.462 | 26% | 0.258 | S | S | . | . | trans | -73 | 149.5 | 171.7 | 73.9 | 0 | 0 | 0 | 0 | 110.1 | D383 T384 | S381-D383 PolarHBondContact O-N 2.77Å; S381-T384 PolarHBondContact N-OG1 3.27Å; S381-T384 VanDerWaalsContact O-CB 3.26Å; S381-T384 WeakPolarHBondContact O-CB 3.34Å; S381-T384 PolarHBondContact O-N 3.06Å; S381-T384 PolarHBondContact O-OG1 3.22Å; S381-T384 PolarHBondContact OG-N 2.92Å; S381-T384 PolarHBondContact OG-OG1 2.79Å; S381-T384 VanDerWaalsContact OG-OG1 3.08Å | ||
| 382 | P | 93.7 | Very high | 95.5 | Very high | 84 Ų | 84 | 50.5 Ų | 50.5 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -22.1 | 176.9 | -26.7 | 35.1 | 0 | 0 | 0 | 114.8 | S397 | P382-S397 VanDerWaalsContact O-CB 3.23Å; P382-S397 WeakPolarHBondContact O-CB 3.38Å; P382-S397 PolarHBondContact O-N 3Å; P382-S397 PolarHBondContact O-OG 2.93Å |
| 383 | D | 95.4 | Very high | 95.4 | Very high | 103 Ų | 103 | 57.2 Ų | 57.2 | 55% | 0.551 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 0.9 | 177.9 | -76 | -58 | 0 | 0 | 0 | 114 | S381 E385 K395 | S381-D383 PolarHBondContact O-N 2.77Å; D383-E385 PolarHBondContact O-N 3.41Å; D383-K395 IonicContact OD1-NZ 3.65Å; D383-K395 PolarHBondContact OD1-NZ 2.82Å |
| 384 | T | 96.5 | Very high | 95.3 | Very high | 27 Ų | 27 | 58.8 Ų | 58.8 | 17% | 0.166 | 32% | 0.322 | C | S | . | . | trans | -60 | 126.6 | 177.8 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | T366 Y380 S381 I386 K395 L396 | T366-T384 HydrophobicContact CG2-CG2 3.69Å; Y380-T384 HydrophobicContact CD1-CG2 4.01Å; Y380-T384 HydrophobicContact CG-CG2 4.5Å; S381-T384 PolarHBondContact N-OG1 3.27Å; S381-T384 VanDerWaalsContact O-CB 3.26Å; S381-T384 WeakPolarHBondContact O-CB 3.34Å; S381-T384 PolarHBondContact O-N 3.06Å; S381-T384 PolarHBondContact O-OG1 3.22Å; S381-T384 PolarHBondContact OG-N 2.92Å; S381-T384 PolarHBondContact OG-OG1 2.79Å; S381-T384 VanDerWaalsContact OG-OG1 3.08Å; T384-I386 HydrophobicContact CG2-CD1 4.07Å; T384-I386 PolarHBondContact O-N 2.86Å; T384-K395 WeakPolarHBondContact O-CA 3.28Å; T384-L396 PolarHBondContact O-N 3.08Å | ||
| 385 | E | 96.7 | Very high | 95.3 | Very high | 97 Ų | 97 | 60.4 Ų | 60.4 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 121.6 | 174.8 | -66.4 | -176.1 | 171.6 | 0 | 0 | 110 | T366 K367 D383 | T366-E385 WeakPolarHBondContact CA-O 3.49Å; K367-E385 WeakPolarHBondContact CD-OE2 3.27Å; K367-E385 PolarHBondContact N-O 2.82Å; K367-E385 IonicContact NZ-OE2 2.94Å; K367-E385 PolarHBondContact NZ-OE2 3.2Å; D383-E385 PolarHBondContact O-N 3.41Å |
| 386 | I | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.2 | -179.4 | -59 | -63.4 | 0 | 0 | 0 | 109.4 | A364 Q365 T366 F372 T384 V394 L396 K404 | A364-I386 HydrophobicContact CB-CG2 3.75Å; Q365-I386 CarbonylContact O-C 3.53Å; Q365-I386 WeakPolarHBondContact O-CA 3.41Å; T366-I386 HydrophobicContact CG2-CD1 3.86Å; F372-I386 HydrophobicContact CB-CD1 4Å; F372-I386 HydrophobicContact CD1-CD1 4.39Å; F372-I386 HydrophobicContact CD1-CG2 4.31Å; F372-I386 HydrophobicContact CD2-CD1 4.27Å; F372-I386 HydrophobicContact CG-CD1 3.93Å; T384-I386 HydrophobicContact CG2-CD1 4.07Å; T384-I386 PolarHBondContact O-N 2.86Å; I386-V394 HydrophobicContact CB-CG2 4.29Å; I386-V394 PolarHBondContact N-O 3.01Å; I386-V394 PolarHBondContact O-N 3.08Å; I386-V394 VanDerWaalsContact O-O 3.14Å; I386-L396 HydrophobicContact CG1-CB 4.19Å; I386-K404 HydrophobicContact CG2-CB 4.25Å; I386-K404 HydrophobicContact CG2-CD 4.38Å; I386-K404 HydrophobicContact CG2-CG 4.49Å |
| 387 | I | 96.8 | Very high | 95.2 | Very high | 35 Ų | 35 | 63.5 Ų | 63.5 | 18% | 0.179 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 112 | 163.9 | -55.8 | 169.9 | 0 | 0 | 0 | 106.2 | A364 Q365 D392 | A364-I387 WeakPolarHBondContact CA-O 3.45Å; A364-I387 WeakPolarHBondContact CB-O 3.47Å; Q365-I387 HydrophobicContact CG-CB 4.04Å; Q365-I387 HydrophobicContact CG-CD1 4.34Å; Q365-I387 PolarHBondContact N-O 3.35Å; Q365-I387 PolarHBondContact O-N 3.39Å; I387-D392 WeakPolarHBondContact CA-O 3.17Å |
| 388 | T | 97.1 | Very high | 95.2 | Very high | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | trans | -68.3 | 165.1 | 179 | 71.2 | 0 | 0 | 0 | 0 | 111.2 | L390 G391 D392 V394 K404 | T388-L390 PolarHBondContact O-N 3.35Å; T388-L390 VanDerWaalsContact O-N 3.15Å; T388-L390 PolarHBondContact OG1-N 2.78Å; T388-G391 PolarHBondContact O-N 2.83Å; T388-G391 PolarHBondContact OG1-N 3.01Å; T388-D392 HydrophobicContact CG2-CB 4.13Å; T388-D392 PolarHBondContact N-O 3.41Å; T388-D392 WeakPolarHBondContact OG1-CB 3.22Å; T388-D392 PolarHBondContact OG1-N 2.85Å; T388-D392 PolarHBondContact OG1-O 2.84Å; T388-V394 HydrophobicContact CG2-CG2 3.66Å; T388-K404 CarbonylContact C-O 3.58Å; T388-K404 WeakPolarHBondContact CA-O 3.47Å; T388-K404 WeakPolarHBondContact CB-O 3.32Å; T388-K404 HydrophobicContact CG2-CB 4.36Å; T388-K404 HydrophobicContact CG2-CD 3.61Å | ||
| 389 | W | 97.1 | Very high | 95 | Very high | 17 Ų | 17 | 66.8 Ų | 66.8 | 6% | 0.064 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.4 | 174.7 | 79.5 | -78.8 | 0 | 0 | 0 | 113.9 | C80 P83 V86 N362 G391 K404 A405 H406 | C80-W389 WeakPolarHBondContact CB-O 3.15Å; C80-W389 PolarHBondContact SG-O 3.44Å; C80-W389 VanDerWaalsContact SG-O 3.35Å; P83-W389 HydrophobicContact CB-CH2 3.88Å; P83-W389 HydrophobicContact CB-CZ3 4.34Å; P83-W389 HydrophobicContact CG-CH2 4.26Å; P83-W389 HydrophobicContact CG-CZ3 4.37Å; V86-W389 HydrophobicContact CG1-CH2 3.79Å; V86-W389 HydrophobicContact CG1-CZ3 3.68Å; N362-W389 HydrophobicContact CB-CB 4.26Å; N362-W389 HydrophobicContact CB-CD2 4.26Å; N362-W389 HydrophobicContact CB-CE3 3.79Å; N362-W389 HydrophobicContact CB-CG 4.5Å; N362-W389 WeakPolarHBondContact O-CB 3.2Å; W389-G391 VanDerWaalsContact C-N 3.34Å; W389-K404 VanDerWaalsContact CD1-O 3.28Å; W389-K404 PolarHBondContact N-O 3.17Å; W389-A405 VanDerWaalsContact CD1-C 3.5Å; W389-H406 VanDerWaalsContact CD1-N 3.34Å; W389-H406 HydrophobicContact CD2-CB 3.81Å; W389-H406 HydrophobicContact CE3-CB 4.16Å; W389-H406 HydrophobicContact CG-CB 4.2Å; W389-H406 HydrophobicContact CH2-CB 4.46Å; W389-H406 AromaticContact CH2-CD2 3.72Å; W389-H406 HydrophobicContact CZ2-CB 4.16Å; W389-H406 AromaticContact CZ2-CD2 3.55Å; W389-H406 HydrophobicContact CZ3-CB 4.47Å |
| 390 | L | 95.6 | Very high | 94.6 | Very high | 56 Ų | 56 | 65.2 Ų | 65.2 | 29% | 0.293 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -6.7 | 173.3 | -67.3 | 175.5 | 0 | 0 | 0 | 113 | P83 T388 | P83-L390 HydrophobicContact CB-CD2 4.22Å; P83-L390 HydrophobicContact CG-CD2 3.57Å; T388-L390 PolarHBondContact O-N 3.35Å; T388-L390 VanDerWaalsContact O-N 3.15Å; T388-L390 PolarHBondContact OG1-N 2.78Å |
| 391 | G | 94 | Very high | 94.2 | Very high | 40 Ų | 40 | 72.7 Ų | 72.7 | 41% | 0.412 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 93.8 | -2.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T388 W389 H393 | T388-G391 PolarHBondContact O-N 2.83Å; T388-G391 PolarHBondContact OG1-N 3.01Å; W389-G391 VanDerWaalsContact C-N 3.34Å; G391-H393 PolarHBondContact O-CD2 3.29Å |
| 392 | D | 94.7 | Very high | 93.9 | Very high | 93 Ų | 93 | 73.7 Ų | 73.7 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | trans | -67.6 | 136.1 | 178 | -59.8 | -44.6 | 0 | 0 | 0 | 111.6 | I387 T388 V394 | I387-D392 WeakPolarHBondContact CA-O 3.17Å; T388-D392 HydrophobicContact CG2-CB 4.13Å; T388-D392 PolarHBondContact N-O 3.41Å; T388-D392 WeakPolarHBondContact OG1-CB 3.22Å; T388-D392 PolarHBondContact OG1-N 2.85Å; T388-D392 PolarHBondContact OG1-O 2.84Å; D392-V394 HydrophobicContact CB-CG1 4.3Å | ||
| 393 | H | 95.5 | Very high | 93.9 | Very high | 143 Ų | 143 | 71.7 Ų | 71.7 | 66% | 0.662 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 115.2 | 172.9 | -72.1 | -110 | 0 | 0 | 0 | 110 | G391 | G391-H393 PolarHBondContact O-CD2 3.29Å |
| 394 | V | 95.9 | Very high | 94 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 162.9 | -173.2 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | I386 T388 D392 D398 K404 | I386-V394 HydrophobicContact CB-CG2 4.29Å; I386-V394 PolarHBondContact N-O 3.01Å; I386-V394 PolarHBondContact O-N 3.08Å; I386-V394 VanDerWaalsContact O-O 3.14Å; T388-V394 HydrophobicContact CG2-CG2 3.66Å; D392-V394 HydrophobicContact CB-CG1 4.3Å; V394-D398 HydrophobicContact CB-CB 4.33Å; V394-K404 HydrophobicContact CG2-CD 3.55Å |
| 395 | K | 95.9 | Very high | 94.1 | Very high | 84 Ų | 84 | 66.1 Ų | 66.1 | 37% | 0.365 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 153.8 | 163.9 | -65.7 | -176.4 | 170.4 | -164.2 | 0 | 110.3 | D383 T384 S397 D398 | D383-K395 IonicContact OD1-NZ 3.65Å; D383-K395 PolarHBondContact OD1-NZ 2.82Å; T384-K395 WeakPolarHBondContact O-CA 3.28Å; K395-S397 PolarHBondContact O-N 2.78Å; K395-D398 PolarHBondContact N-OD2 2.85Å; K395-D398 WeakPolarHBondContact O-CB 3.29Å; K395-D398 PolarHBondContact O-N 3.09Å |
| 396 | L | 94.7 | Very high | 94 | Very high | 26 Ų | 26 | 62.7 Ų | 62.7 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -39.2 | 173.1 | 179.1 | 58 | 0 | 0 | 0 | 112.1 | F372 E377 T384 I386 D398 | F372-L396 HydrophobicContact CD2-CD1 4.41Å; F372-L396 HydrophobicContact CE1-CD1 3.87Å; F372-L396 HydrophobicContact CE2-CD1 3.52Å; F372-L396 HydrophobicContact CE2-CD2 4.35Å; F372-L396 HydrophobicContact CZ-CD1 3.22Å; E377-L396 HydrophobicContact CG-CD1 4.46Å; T384-L396 PolarHBondContact O-N 3.08Å; I386-L396 HydrophobicContact CG1-CB 4.19Å; L396-D398 PolarHBondContact O-N 2.73Å |
| 397 | S | 94.2 | Very high | 93.9 | Very high | 66 Ų | 66 | 65.6 Ų | 65.6 | 46% | 0.462 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -12.7 | 177.6 | 49.4 | 0 | 0 | 0 | 0 | 115.2 | P382 K395 K399 | P382-S397 VanDerWaalsContact O-CB 3.23Å; P382-S397 WeakPolarHBondContact O-CB 3.38Å; P382-S397 PolarHBondContact O-N 3Å; P382-S397 PolarHBondContact O-OG 2.93Å; K395-S397 PolarHBondContact O-N 2.78Å; S397-K399 PolarHBondContact O-N 2.92Å |
| 398 | D | 94.6 | Very high | 93.8 | Very high | 73 Ų | 73 | 64.1 Ų | 64.1 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | trans | -70.4 | 125.4 | -177.2 | -69.4 | -22.7 | 0 | 0 | 0 | 111 | V394 K395 L396 S400 K404 | V394-D398 HydrophobicContact CB-CB 4.33Å; K395-D398 PolarHBondContact N-OD2 2.85Å; K395-D398 WeakPolarHBondContact O-CB 3.29Å; K395-D398 PolarHBondContact O-N 3.09Å; L396-D398 PolarHBondContact O-N 2.73Å; D398-S400 PolarHBondContact O-N 2.79Å; D398-K404 PolarHBondContact O-NZ 3.38Å | ||
| 399 | K | 88.8 | Confident | 93.8 | Very high | 214 Ų | 214 | 63.7 Ų | 63.7 | 93% | 0.93 | 34% | 0.335 | S | S | * | . | trans | -70.3 | 117.2 | 172.1 | -65.4 | -176.5 | -179.5 | 179.8 | 0 | 109 | S397 | S397-K399 PolarHBondContact O-N 2.92Š| ||
| 400 | S | 83.9 | Confident | 93.9 | Very high | 60 Ų | 60 | 64.2 Ų | 64.2 | 42% | 0.42 | 34% | 0.337 | S | S | . | . | trans | -119 | 152.8 | 172.1 | 54.4 | 0 | 0 | 0 | 0 | 110.2 | D398 D402 K404 | D398-S400 PolarHBondContact O-N 2.79Å; S400-D402 VanDerWaalsContact C-N 3.33Å; S400-D402 WeakPolarHBondContact CB-O 3.16Å; S400-D402 PolarHBondContact OG-O 3.11Å; S400-K404 PolarHBondContact OG-NZ 2.8Å | ||
| 401 | K | 85 | Confident | 94 | Very high | 201 Ų | 201 | 61.6 Ų | 61.6 | 87% | 0.874 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -65.9 | -41.8 | 173.7 | -177.2 | -173.5 | 175.7 | -171.9 | 0 | 110.9 | ||
| 402 | D | 89 | Confident | 94.2 | Very high | 87 Ų | 87 | 59.7 Ų | 59.7 | 47% | 0.465 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -97.8 | 144.4 | 179.7 | -60.4 | -64.9 | 0 | 0 | 0 | 110.3 | S400 | S400-D402 VanDerWaalsContact C-N 3.33Å; S400-D402 WeakPolarHBondContact CB-O 3.16Å; S400-D402 PolarHBondContact OG-O 3.11Å |
| 403 | P | 94.4 | Very high | 94.4 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | trans | -63.3 | 154.7 | 173.9 | 26.9 | -33.5 | 0 | 0 | 0 | 111.2 | E374 A405 P407 | E374-P403 HydrophobicContact CG-CB 4.12Å; E374-P403 WeakPolarHBondContact OE1-CA 3.22Å; E374-P403 WeakPolarHBondContact OE1-CB 3.47Å; P403-A405 VanDerWaalsContact C-N 3.32Å; P403-A405 VanDerWaalsContact CB-O 3.3Å; P403-A405 WeakPolarHBondContact CB-O 3.4Å; P403-A405 VanDerWaalsContact CG-O 3.27Å; P403-A405 WeakPolarHBondContact CG-O 3.23Å; P403-A405 PolarHBondContact O-N 2.86Å; P403-P407 HydrophobicContact CG-CG 3.79Å | ||
| 404 | K | 97 | Very high | 94.5 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.057 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -66.8 | -35.7 | -178.8 | -55.4 | -67.6 | -174.7 | -80.3 | 0 | 110.8 | A364 F372 E374 I386 T388 W389 V394 D398 S400 | A364-K404 HydrophobicContact CB-CB 4.1Å; A364-K404 WeakPolarHBondContact CB-O 3.39Å; F372-K404 HydrophobicContact CD1-CB 3.89Å; F372-K404 HydrophobicContact CD1-CG 4.42Å; F372-K404 HydrophobicContact CE1-CB 3.78Å; F372-K404 HydrophobicContact CE1-CG 3.95Å; E374-K404 PolarHBondContact OE1-N 3.35Å; I386-K404 HydrophobicContact CG2-CB 4.25Å; I386-K404 HydrophobicContact CG2-CD 4.38Å; I386-K404 HydrophobicContact CG2-CG 4.49Å; T388-K404 CarbonylContact C-O 3.58Å; T388-K404 WeakPolarHBondContact CA-O 3.47Å; T388-K404 WeakPolarHBondContact CB-O 3.32Å; T388-K404 HydrophobicContact CG2-CB 4.36Å; T388-K404 HydrophobicContact CG2-CD 3.61Å; W389-K404 VanDerWaalsContact CD1-O 3.28Å; W389-K404 PolarHBondContact N-O 3.17Å; V394-K404 HydrophobicContact CG2-CD 3.55Å; D398-K404 PolarHBondContact O-NZ 3.38Å; S400-K404 PolarHBondContact OG-NZ 2.8Å |
| 405 | A | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -107 | 151.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | W373 E374 W389 P403 | W373-A405 HydrophobicContact CB-CB 3.61Å; E374-A405 PolarHBondContact OE2-N 3Å; W389-A405 VanDerWaalsContact CD1-C 3.5Å; P403-A405 VanDerWaalsContact C-N 3.32Å; P403-A405 VanDerWaalsContact CB-O 3.3Å; P403-A405 WeakPolarHBondContact CB-O 3.4Å; P403-A405 VanDerWaalsContact CG-O 3.27Å; P403-A405 WeakPolarHBondContact CG-O 3.23Å; P403-A405 PolarHBondContact O-N 2.86Å |
| 406 | H | 96.5 | Very high | 94.8 | Very high | 25 Ų | 25 | 47.6 Ų | 47.6 | 12% | 0.116 | 25% | 0.254 | C | S | . | . | trans | -62.9 | 138.6 | 173.9 | -174.7 | -101.8 | 0 | 0 | 0 | 109.7 | V86 P340 N362 W389 N408 S409 | V86-H406 WeakPolarHBondContact CG2-NE2 3.32Å; P340-H406 WeakPolarHBondContact CG-O 3.39Å; N362-H406 HydrophobicContact CB-CB 3.69Å; N362-H406 PolarHBondContact O-N 2.68Å; W389-H406 VanDerWaalsContact CD1-N 3.34Å; W389-H406 HydrophobicContact CD2-CB 3.81Å; W389-H406 HydrophobicContact CE3-CB 4.16Å; W389-H406 HydrophobicContact CG-CB 4.2Å; W389-H406 HydrophobicContact CH2-CB 4.46Å; W389-H406 AromaticContact CH2-CD2 3.72Å; W389-H406 HydrophobicContact CZ2-CB 4.16Å; W389-H406 AromaticContact CZ2-CD2 3.55Å; W389-H406 HydrophobicContact CZ3-CB 4.47Å; H406-N408 PolarHBondContact ND1-N 3.06Å; H406-N408 VanDerWaalsContact ND1-N 3.17Å; H406-N408 PolarHBondContact O-N 2.83Å; H406-S409 WeakPolarHBondContact O-CB 3.14Å; H406-S409 PolarHBondContact O-N 3Å; H406-S409 PolarHBondContact O-OG 3.04Å | ||
| 407 | P | 93.9 | Very high | 94.9 | Very high | 62 Ų | 62 | 48 Ų | 48 | 40% | 0.403 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -21.3 | -179 | -30.1 | 37.5 | 0 | 0 | 0 | 115.3 | P403 A471 | P403-P407 HydrophobicContact CG-CG 3.79Å; P407-A471 HydrophobicContact CB-CB 3.58Å |
| 408 | N | 94.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 28.4 | 175.2 | -176.2 | 50.7 | 0 | 0 | 0 | 111.7 | V86 Y238 H406 R410 A471 | V86-N408 PolarHBondContact O-ND2 2.81Å; Y238-N408 PolarHBondContact OH-ND2 3.34Å; Y238-N408 PolarHBondContact OH-O 2.79Å; H406-N408 PolarHBondContact ND1-N 3.06Å; H406-N408 VanDerWaalsContact ND1-N 3.17Å; H406-N408 PolarHBondContact O-N 2.83Å; N408-R410 PolarHBondContact OD1-NE 2.89Å; N408-R410 PolarHBondContact OD1-NH2 2.99Å; N408-A471 HydrophobicContact CB-CB 4.37Å; N408-A471 WeakPolarHBondContact CB-O 3.31Å |
| 409 | S | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -61.9 | 152.5 | 167.5 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | A339 P340 T361 N362 H406 | A339-S409 PolarHBondContact N-O 2.81Å; P340-S409 VanDerWaalsContact CD-OG 3.25Å; P340-S409 WeakPolarHBondContact CD-OG 3.38Å; P340-S409 WeakPolarHBondContact CG-OG 3.34Å; T361-S409 VanDerWaalsContact O-CA 3.28Å; T361-S409 WeakPolarHBondContact O-CA 3.46Å; T361-S409 WeakPolarHBondContact O-CB 3.26Å; N362-S409 WeakPolarHBondContact O-CB 3.41Å; H406-S409 WeakPolarHBondContact O-CB 3.14Å; H406-S409 PolarHBondContact O-N 3Å; H406-S409 PolarHBondContact O-OG 3.04Å | ||
| 410 | R | 98.2 | Very high | 95.8 | Very high | 29 Ų | 29 | 36.8 Ų | 36.8 | 11% | 0.109 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.6 | -165.6 | -63.2 | -74.1 | 179.6 | 150.7 | -5.1 | 111.6 | Y238 F336 G337 V338 F360 T361 N408 | Y238-R410 WeakPolarHBondContact OH-CG 3.21Å; F336-R410 HydrophobicContact CD1-CB 4.49Å; F336-R410 HydrophobicContact CD1-CG 4.07Å; F336-R410 HydrophobicContact CD2-CB 4.25Å; F336-R410 HydrophobicContact CE1-CB 4.05Å; F336-R410 HydrophobicContact CE1-CG 3.51Å; F336-R410 HydrophobicContact CE2-CB 3.77Å; F336-R410 HydrophobicContact CE2-CG 4.17Å; F336-R410 HydrophobicContact CZ-CB 3.66Å; F336-R410 HydrophobicContact CZ-CG 3.57Å; F336-R410 PolarHBondContact O-NH1 3.07Å; G337-R410 WeakPolarHBondContact O-CA 3.47Å; G337-R410 WeakPolarHBondContact O-CD 3.22Å; V338-R410 VanDerWaalsContact CG2-CZ 3.49Å; F360-R410 CarbonylContact C-O 3.58Å; F360-R410 WeakPolarHBondContact CA-O 3.28Å; T361-R410 PolarHBondContact N-O 3.29Å; T361-R410 PolarHBondContact O-N 3.05Å; N408-R410 PolarHBondContact OD1-NE 2.89Å; N408-R410 PolarHBondContact OD1-NH2 2.99Å |
| 411 | F | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 139.7 | 156.9 | 54.8 | -100 | 0 | 0 | 0 | 109 | F335 F336 G337 A339 T342 A350 C354 T358 F360 | F335-F411 HydrophobicContact CB-CE2 4.46Å; F336-F411 CarbonylContact C-O 3.59Å; F336-F411 WeakPolarHBondContact CA-O 3.44Å; G337-F411 PolarHBondContact N-O 3.08Å; G337-F411 PolarHBondContact O-N 2.85Å; A339-F411 HydrophobicContact CB-CD1 4.12Å; T342-F411 HydrophobicContact CG2-CE1 4.37Å; A350-F411 HydrophobicContact CB-CZ 4.21Å; C354-F411 HydrophobicContact CB-CB 4.24Å; C354-F411 HydrophobicContact CB-CD2 4.18Å; C354-F411 HydrophobicContact CB-CG 4.15Å; T358-F411 HydrophobicContact CG2-CB 3.9Å; F360-F411 HydrophobicContact CD1-CB 3.75Å; F360-F411 HydrophobicContact CE1-CB 3.66Å; F360-F411 HydrophobicContact CZ-CB 4.48Å |
| 412 | C | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 104.2 | 174.2 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | F335 F336 T358 I359 | F335-C412 WeakPolarHBondContact O-CA 3.45Å; F336-C412 HydrophobicContact CD2-CB 3.87Å; F336-C412 HydrophobicContact CE2-CB 4.24Å; T358-C412 WeakPolarHBondContact CA-O 3.35Å; I359-C412 HydrophobicContact CB-CB 4.41Å; I359-C412 PolarHBondContact N-O 2.94Å; I359-C412 PolarHBondContact O-N 2.86Å |
| 413 | C | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.3 | -173.1 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | I174 G334 F335 T353 T358 | I174-C413 WeakPolarHBondContact CG2-O 3.39Å; G334-C413 CarbonylContact C-O 3.54Å; G334-C413 WeakPolarHBondContact CA-O 3.4Å; F335-C413 PolarHBondContact N-O 2.97Å; F335-C413 PolarHBondContact O-N 3.45Å; T353-C413 HydrophobicContact CG2-CB 4.5Å; T358-C413 HydrophobicContact CG2-CB 4.03Å; T358-C413 WeakPolarHBondContact OG1-CB 3.16Å |
| 414 | P | 98.5 | Very high | 97.7 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 11% | 0.11 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 138.1 | -179 | -17.3 | 29.4 | 0 | 0 | 0 | 112.6 | I174 N357 S416 Q417 | I174-P414 HydrophobicContact CG2-CG 4.29Å; N357-P414 HydrophobicContact CB-CG 4.48Å; P414-S416 VanDerWaalsContact C-N 3.27Å; P414-S416 PolarHBondContact O-N 2.95Å; P414-Q417 HydrophobicContact CB-CG 4.18Å; P414-Q417 HydrophobicContact CG-CG 4.37Å; P414-Q417 WeakPolarHBondContact O-CB 3.43Å; P414-Q417 PolarHBondContact O-N 3.44Å; P414-Q417 VanDerWaalsContact O-N 3.17Å |
| 415 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -66.9 | -32.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A333 F335 Q417 C418 I421 W425 | A333-A415 VanDerWaalsContact O-CB 3.27Å; A333-A415 WeakPolarHBondContact O-CB 3.28Å; A333-A415 PolarHBondContact O-N 3.25Å; F335-A415 HydrophobicContact CD2-CB 4.35Å; F335-A415 HydrophobicContact CE1-CB 4.17Å; F335-A415 HydrophobicContact CE2-CB 3.74Å; F335-A415 HydrophobicContact CZ-CB 3.63Å; A415-Q417 PolarHBondContact O-N 2.99Å; A415-C418 WeakPolarHBondContact O-CB 3.11Å; A415-C418 PolarHBondContact O-N 3.19Å; A415-I421 HydrophobicContact CB-CD1 4.2Å; A415-I421 WeakPolarHBondContact O-CD1 3.36Å; A415-W425 HydrophobicContact CB-CE3 4.13Å; A415-W425 HydrophobicContact CB-CH2 3.81Å; A415-W425 HydrophobicContact CB-CZ3 3.57Å |
| 416 | S | 97.9 | Very high | 97.8 | Very high | 81 Ų | 81 | 35.5 Ų | 35.5 | 57% | 0.566 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -60.1 | -13.3 | 175.9 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | P414 | P414-S416 VanDerWaalsContact C-N 3.27Å; P414-S416 PolarHBondContact O-N 2.95Å |
| 417 | Q | 98.3 | Very high | 97.8 | Very high | 33 Ų | 33 | 36.1 Ų | 36.1 | 15% | 0.154 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -88 | -10.7 | 175.6 | -59.7 | -171.8 | 161.5 | 0 | 0 | 113.8 | T353 K356 N357 P414 A415 | T353-Q417 HydrophobicContact CG2-CB 4.07Å; T353-Q417 PolarHBondContact O-NE2 2.87Å; K356-Q417 PolarHBondContact O-NE2 3.45Å; N357-Q417 VanDerWaalsContact CB-OE1 3.27Å; N357-Q417 PolarHBondContact ND2-OE1 2.84Å; P414-Q417 HydrophobicContact CB-CG 4.18Å; P414-Q417 HydrophobicContact CG-CG 4.37Å; P414-Q417 WeakPolarHBondContact O-CB 3.43Å; P414-Q417 PolarHBondContact O-N 3.44Å; P414-Q417 VanDerWaalsContact O-N 3.17Å; A415-Q417 PolarHBondContact O-N 2.99Å |
| 418 | C | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | trans | -66.9 | 124.2 | -179.6 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | F335 T353 A415 I420 I421 | F335-C418 HydrophobicContact CE2-CB 3.8Å; F335-C418 HydrophobicContact CZ-CB 4.28Å; T353-C418 HydrophobicContact CG2-CB 4.12Å; T353-C418 VanDerWaalsContact OG1-CA 3.31Å; T353-C418 WeakPolarHBondContact OG1-CA 3.26Å; A415-C418 WeakPolarHBondContact O-CB 3.11Å; A415-C418 PolarHBondContact O-N 3.19Å; C418-I420 PolarHBondContact O-N 2.9Å; C418-I420 VanDerWaalsContact SG-CG1 3.6Å; C418-I421 HydrophobicContact CB-CB 4.15Å; C418-I421 WeakPolarHBondContact O-CB 3.44Å; C418-I421 WeakPolarHBondContact O-CG2 3.32Å; C418-I421 PolarHBondContact O-N 3.1Å | ||
| 419 | P | 98.5 | Very high | 97.8 | Very high | 82 Ų | 82 | 41.7 Ų | 41.7 | 53% | 0.532 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.8 | -175 | 26.7 | -36.5 | 0 | 0 | 0 | 113 | N349 A352 | N349-P419 HydrophobicContact CB-CG 4.31Å; N349-P419 WeakPolarHBondContact OD1-CG 3.33Å; A352-P419 HydrophobicContact CB-CG 4.13Å |
| 420 | I | 98.7 | Very high | 97.7 | Very high | 33 Ų | 33 | 41.9 Ų | 41.9 | 17% | 0.169 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 21.5 | 177.5 | 63.2 | 161.9 | 0 | 0 | 0 | 112.4 | M298 V308 Q309 C310 N349 C418 H422 | M298-I420 HydrophobicContact CB-CD1 4.36Å; V308-I420 HydrophobicContact CG1-CD1 4.42Å; Q309-I420 CarbonylContact C-O 3.59Å; Q309-I420 WeakPolarHBondContact CA-O 3.32Å; Q309-I420 VanDerWaalsContact CB-O 3.27Å; Q309-I420 WeakPolarHBondContact CB-O 3.41Å; C310-I420 PolarHBondContact N-O 2.89Å; N349-I420 HydrophobicContact CB-CD1 4.28Å; N349-I420 HydrophobicContact CB-CG1 4.26Å; N349-I420 VanDerWaalsContact ND2-CD1 3.34Å; N349-I420 WeakPolarHBondContact ND2-CD1 3.3Å; C418-I420 PolarHBondContact O-N 2.9Å; C418-I420 VanDerWaalsContact SG-CG1 3.6Å; I420-H422 PolarHBondContact O-N 2.78Å |
| 421 | I | 98.7 | Very high | 97.7 | Very high | 32 Ų | 32 | 40.6 Ų | 40.6 | 16% | 0.164 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -56.6 | 133.3 | 172.8 | -160.9 | 70.8 | 0 | 0 | 0 | 109.3 | Q309 C310 F335 A415 C418 W425 | Q309-I421 PolarHBondContact NE2-O 2.92Å; C310-I421 HydrophobicContact CB-CD1 4.49Å; C310-I421 WeakPolarHBondContact O-CD1 3.22Å; F335-I421 HydrophobicContact CZ-CD1 4.14Å; A415-I421 HydrophobicContact CB-CD1 4.2Å; A415-I421 WeakPolarHBondContact O-CD1 3.36Å; C418-I421 HydrophobicContact CB-CB 4.15Å; C418-I421 WeakPolarHBondContact O-CB 3.44Å; C418-I421 WeakPolarHBondContact O-CG2 3.32Å; C418-I421 PolarHBondContact O-N 3.1Å; I421-W425 HydrophobicContact CD1-CB 4.14Å; I421-W425 HydrophobicContact CD1-CD2 3.93Å; I421-W425 HydrophobicContact CD1-CE3 4.23Å; I421-W425 HydrophobicContact CD1-CG 3.89Å; I421-W425 HydrophobicContact CG1-CB 4.04Å; I421-W425 HydrophobicContact CG1-CD2 3.83Å; I421-W425 HydrophobicContact CG1-CG 3.52Å |
| 422 | H | 98.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | trans | -73.7 | 137.3 | -178.4 | -173.9 | -93.1 | 0 | 0 | 0 | 109.8 | S272 E280 F282 Q309 C310 V311 I420 K424 W425 | S272-H422 PolarHBondContact OG-CD2 3.03Å; E280-H422 IonicContact OE1-CD2 3.94Å; E280-H422 IonicContact OE1-NE2 3.14Å; E280-H422 PolarHBondContact OE1-NE2 3Å; E280-H422 IonicContact OE2-NE2 2.73Å; F282-H422 AromaticContact CE1-CE1 3.93Å; F282-H422 AromaticContact CZ-CE1 3.66Å; F282-H422 AromaticContact CZ-NE2 3.74Å; Q309-H422 HydrophobicContact CB-CB 3.83Å; C310-H422 WeakPolarHBondContact O-CB 3.38Å; C310-H422 PolarHBondContact O-N 2.82Å; V311-H422 HydrophobicContact CG2-CB 3.78Å; I420-H422 PolarHBondContact O-N 2.78Å; H422-K424 WeakPolarHBondContact ND1-CB 3.45Å; H422-K424 PolarHBondContact ND1-N 2.95Å; H422-K424 PolarHBondContact O-N 3.17Å; H422-W425 VanDerWaalsContact O-CB 3.28Å; H422-W425 WeakPolarHBondContact O-CB 3.29Å; H422-W425 PolarHBondContact O-N 2.78Å | ||
| 423 | P | 98 | Very high | 97.7 | Very high | 109 Ų | 109 | 43 Ų | 43 | 71% | 0.708 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.9 | -178.8 | -27.6 | 34.8 | 0 | 0 | 0 | 114.7 | ||
| 424 | K | 97.4 | Very high | 97.7 | Very high | 114 Ų | 114 | 44.1 Ų | 44.1 | 50% | 0.496 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 16.1 | 176.7 | -58.4 | -174.2 | 176.5 | -177.2 | 0 | 114.3 | H422 E426 D427 V431 | H422-K424 WeakPolarHBondContact ND1-CB 3.45Å; H422-K424 PolarHBondContact ND1-N 2.95Å; H422-K424 PolarHBondContact O-N 3.17Å; K424-E426 PolarHBondContact O-N 2.78Å; K424-D427 HydrophobicContact CB-CB 3.79Å; K424-D427 HydrophobicContact CG-CB 4.44Å; K424-D427 WeakPolarHBondContact O-CB 3.46Å; K424-D427 PolarHBondContact O-N 2.9Å; K424-V431 HydrophobicContact CB-CG1 4.2Å |
| 425 | W | 98.2 | Very high | 97.7 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 11% | 0.106 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.3 | -179.6 | 80.8 | -74.1 | 0 | 0 | 0 | 113.1 | R177 V311 A415 I421 H422 | R177-W425 VanDerWaalsContact NH2-CH2 3.29Å; V311-W425 HydrophobicContact CG1-CB 4.48Å; A415-W425 HydrophobicContact CB-CE3 4.13Å; A415-W425 HydrophobicContact CB-CH2 3.81Å; A415-W425 HydrophobicContact CB-CZ3 3.57Å; I421-W425 HydrophobicContact CD1-CB 4.14Å; I421-W425 HydrophobicContact CD1-CD2 3.93Å; I421-W425 HydrophobicContact CD1-CE3 4.23Å; I421-W425 HydrophobicContact CD1-CG 3.89Å; I421-W425 HydrophobicContact CG1-CB 4.04Å; I421-W425 HydrophobicContact CG1-CD2 3.83Å; I421-W425 HydrophobicContact CG1-CG 3.52Å; H422-W425 VanDerWaalsContact O-CB 3.28Å; H422-W425 WeakPolarHBondContact O-CB 3.29Å; H422-W425 PolarHBondContact O-N 2.78Å |
| 426 | E | 97.5 | Very high | 97.7 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 39% | 0.393 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 19.4 | 171.7 | -48.8 | -160.5 | 96.4 | 0 | 0 | 113.6 | P150 R177 K424 P428 | P150-E426 HydrophobicContact CG-CB 3.98Å; P150-E426 WeakPolarHBondContact CG-O 3.38Å; R177-E426 IonicContact CZ-OE1 2.96Å; R177-E426 VanDerWaalsContact CZ-OE1 3.25Å; R177-E426 IonicContact NE-OE1 2.62Å; R177-E426 PolarHBondContact NE-OE1 3.19Å; R177-E426 IonicContact NH2-OE1 2.68Å; R177-E426 PolarHBondContact NH2-OE1 3.41Å; K424-E426 PolarHBondContact O-N 2.78Å; E426-P428 WeakPolarHBondContact O-CD 3.49Å |
| 427 | D | 96.2 | Very high | 97.8 | Very high | 39 Ų | 39 | 39.6 Ų | 39.6 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | trans | -64.2 | 120.1 | 176.6 | -173.1 | -30.2 | 0 | 0 | 0 | 109.5 | K424 H429 G430 | K424-D427 HydrophobicContact CB-CB 3.79Å; K424-D427 HydrophobicContact CG-CB 4.44Å; K424-D427 WeakPolarHBondContact O-CB 3.46Å; K424-D427 PolarHBondContact O-N 2.9Å; D427-H429 PolarHBondContact O-N 3.21Å; D427-H429 VanDerWaalsContact O-N 3.1Å; D427-H429 WeakPolarHBondContact OD1-CB 3.4Å; D427-H429 IonicContact OD1-CD2 3.79Å; D427-H429 IonicContact OD1-CG 2.91Å; D427-H429 PolarHBondContact OD1-N 3.2Å; D427-G430 PolarHBondContact O-N 3.34Å | ||
| 428 | P | 94.8 | Very high | 97.8 | Very high | 51 Ų | 51 | 38 Ų | 38 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.6 | -176 | 26.3 | -35.3 | 0 | 0 | 0 | 113.4 | S153 E426 | S153-P428 PolarHBondContact OG-O 3.22Å; E426-P428 WeakPolarHBondContact O-CD 3.49Å |
| 429 | H | 94 | Very high | 97.8 | Very high | 131 Ų | 131 | 37.9 Ų | 37.9 | 61% | 0.606 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -8.5 | 177.3 | -60.6 | -74.7 | 0 | 0 | 0 | 113.5 | R327 D427 | R327-H429 WeakPolarHBondContact CB-O 3.22Å; D427-H429 PolarHBondContact O-N 3.21Å; D427-H429 VanDerWaalsContact O-N 3.1Å; D427-H429 WeakPolarHBondContact OD1-CB 3.4Å; D427-H429 IonicContact OD1-CD2 3.79Å; D427-H429 IonicContact OD1-CG 2.91Å; D427-H429 PolarHBondContact OD1-N 3.2Å |
| 430 | G | 96.1 | Very high | 97.7 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | trans | 70.9 | 171.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | A328 D427 | A328-G430 CarbonylContact O-C 3.13Å; A328-G430 WeakPolarHBondContact O-CA 3.31Å; D427-G430 PolarHBondContact O-N 3.34Å | ||
| 431 | V | 98 | Very high | 97.6 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 145.3 | -176 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | I270 F282 V311 R327 A328 K424 I433 | I270-V431 HydrophobicContact CG2-CG2 3.71Å; F282-V431 HydrophobicContact CB-CG2 4.27Å; F282-V431 HydrophobicContact CD1-CB 3.49Å; F282-V431 VanDerWaalsContact CD1-CB 3.49Å; F282-V431 HydrophobicContact CD1-CG1 3.93Å; F282-V431 HydrophobicContact CD1-CG2 3.48Å; F282-V431 VanDerWaalsContact CD1-CG2 3.48Å; F282-V431 HydrophobicContact CD2-CB 4.14Å; F282-V431 HydrophobicContact CE1-CB 3.59Å; F282-V431 HydrophobicContact CE1-CG1 3.5Å; F282-V431 VanDerWaalsContact CE1-CG1 3.5Å; F282-V431 HydrophobicContact CE1-CG2 3.98Å; F282-V431 HydrophobicContact CE2-CB 4.26Å; F282-V431 HydrophobicContact CG-CB 3.78Å; F282-V431 HydrophobicContact CG-CG2 3.92Å; F282-V431 HydrophobicContact CZ-CB 4Å; F282-V431 HydrophobicContact CZ-CG1 3.88Å; V311-V431 HydrophobicContact CG1-CG2 4.5Å; V311-V431 HydrophobicContact CG2-CG1 4.44Å; V311-V431 HydrophobicContact CG2-CG2 4.43Å; R327-V431 CarbonylContact C-O 3.55Å; R327-V431 WeakPolarHBondContact CA-O 3.22Å; A328-V431 HydrophobicContact CB-CG2 4.48Å; A328-V431 PolarHBondContact N-O 3.46Å; A328-V431 PolarHBondContact O-N 3.32Å; K424-V431 HydrophobicContact CB-CG1 4.2Å; V431-I433 HydrophobicContact CG2-CD1 4.41Å; V431-I433 PolarHBondContact O-N 3.03Å |
| 432 | P | 98.2 | Very high | 97.5 | Very high | 43 Ų | 43 | 34.1 Ų | 34.1 | 28% | 0.279 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 109.1 | -173.9 | 31.8 | -34.8 | 0 | 0 | 0 | 112.6 | F282 V325 S434 | F282-P432 WeakPolarHBondContact CB-O 3.49Å; F282-P432 HydrophobicContact CD2-CG 4.1Å; F282-P432 HydrophobicContact CE2-CG 4.47Å; V325-P432 HydrophobicContact CG1-CB 3.55Å; P432-S434 PolarHBondContact O-N 2.86Å |
| 433 | I | 98.7 | Very high | 97.3 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 124.4 | -179 | -58.2 | -54.9 | 0 | 0 | 0 | 110.8 | I270 F282 A284 M318 L326 A328 V431 A435 I436 P513 | I270-I433 HydrophobicContact CG2-CD1 4.03Å; F282-I433 HydrophobicContact CB-CD1 4.14Å; A284-I433 HydrophobicContact CB-CD1 4.19Å; A284-I433 HydrophobicContact CB-CG2 4.16Å; M318-I433 HydrophobicContact SD-CG1 4.35Å; L326-I433 HydrophobicContact CB-CB 4.47Å; L326-I433 HydrophobicContact CD2-CB 4.33Å; L326-I433 HydrophobicContact CG-CB 4.46Å; L326-I433 PolarHBondContact O-N 2.99Å; A328-I433 HydrophobicContact CB-CD1 3.63Å; A328-I433 HydrophobicContact CB-CG1 3.58Å; V431-I433 HydrophobicContact CG2-CD1 4.41Å; V431-I433 PolarHBondContact O-N 3.03Å; I433-A435 WeakPolarHBondContact CG2-O 3.46Å; I433-I436 HydrophobicContact CG2-CG1 4.08Å; I433-P513 HydrophobicContact CG2-CB 4.12Å; I433-P513 HydrophobicContact CG2-CG 4.37Å |
| 434 | S | 98.5 | Very high | 97.2 | Very high | 25 Ų | 25 | 35.5 Ų | 35.5 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -25.6 | 179.6 | -56.2 | 0 | 0 | 0 | 0 | 113.1 | F282 P432 F514 | F282-S434 PolarHBondContact O-N 3.02Å; P432-S434 PolarHBondContact O-N 2.86Å; S434-F514 PolarHBondContact O-N 3Å |
| 435 | A | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 146.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | I283 A284 I433 F514 Y516 I544 V548 | I283-A435 WeakPolarHBondContact CA-O 3.19Å; I283-A435 HydrophobicContact CG1-CB 4.37Å; A284-A435 PolarHBondContact N-O 3.49Å; I433-A435 WeakPolarHBondContact CG2-O 3.46Å; A435-F514 CarbonylContact C-O 3.56Å; A435-F514 VanDerWaalsContact CA-O 3.28Å; A435-F514 WeakPolarHBondContact CA-O 3.49Å; A435-Y516 HydrophobicContact CB-CD2 4.05Å; A435-Y516 HydrophobicContact CB-CE2 3.81Å; A435-I544 HydrophobicContact CB-CG2 3.98Å; A435-V548 HydrophobicContact CB-CG2 4.16Å |
| 436 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.3 | 169.4 | -65 | 176.4 | 0 | 0 | 0 | 108 | M268 A284 L326 I433 F438 W455 W502 P513 F514 I515 Y516 | M268-I436 HydrophobicContact CE-CG2 3.73Å; M268-I436 HydrophobicContact SD-CG2 4.33Å; A284-I436 HydrophobicContact CB-CG1 4.48Å; A284-I436 CarbonylContact O-C 3.55Å; A284-I436 VanDerWaalsContact O-CA 3.29Å; A284-I436 WeakPolarHBondContact O-CA 3.45Å; L326-I436 HydrophobicContact CD2-CD1 4.21Å; I433-I436 HydrophobicContact CG2-CG1 4.08Å; I436-F438 HydrophobicContact CG2-CE2 4.29Å; I436-F438 HydrophobicContact CG2-CZ 4.28Å; I436-W455 HydrophobicContact CD1-CH2 4.31Å; I436-W502 HydrophobicContact CD1-CH2 3.98Å; I436-W502 HydrophobicContact CD1-CZ3 4.06Å; I436-P513 HydrophobicContact CD1-CG 3.59Å; I436-P513 HydrophobicContact CG1-CB 4.24Å; I436-P513 HydrophobicContact CG1-CG 3.79Å; I436-F514 PolarHBondContact N-O 2.92Å; I436-I515 HydrophobicContact CB-CG1 4.3Å; I436-I515 CarbonylContact O-C 3.6Å; I436-I515 WeakPolarHBondContact O-CA 3.49Å; I436-Y516 PolarHBondContact O-N 2.85Å |
| 437 | I | 98.9 | Very high | 97 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.5 | -178.8 | -51.7 | 179.1 | 0 | 0 | 0 | 110 | I283 A284 A285 A286 F287 Y516 V518 I541 I544 | I283-I437 HydrophobicContact CG2-CD1 3.51Å; I283-I437 HydrophobicContact CG2-CG1 3.79Å; A284-I437 PolarHBondContact O-N 3.37Å; A285-I437 CarbonylContact C-O 3.6Å; A285-I437 WeakPolarHBondContact CA-O 3.39Å; A285-I437 HydrophobicContact CB-CB 3.81Å; A286-I437 PolarHBondContact N-O 2.88Å; F287-I437 HydrophobicContact CE1-CG2 4.01Å; F287-I437 HydrophobicContact CZ-CG2 4.18Å; I437-Y516 CarbonylContact C-O 3.43Å; I437-Y516 WeakPolarHBondContact CA-O 3.38Å; I437-V518 HydrophobicContact CG2-CB 4.2Å; I437-V518 HydrophobicContact CG2-CG1 3.63Å; I437-V518 HydrophobicContact CG2-CG2 3.59Å; I437-I541 HydrophobicContact CD1-CD1 3.81Å; I437-I544 HydrophobicContact CD1-CD1 3.53Å; I437-I544 HydrophobicContact CG1-CD1 4.13Å |
| 438 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 157 | 165.4 | -69.4 | -62.2 | 0 | 0 | 0 | 110.8 | M268 A286 I436 L465 M485 W502 I515 Y516 H517 V518 | M268-F438 HydrophobicContact CE-CE1 4.02Å; M268-F438 HydrophobicContact CE-CZ 4.27Å; A286-F438 HydrophobicContact CB-CD1 3.71Å; A286-F438 HydrophobicContact CB-CE1 3.77Å; I436-F438 HydrophobicContact CG2-CE2 4.29Å; I436-F438 HydrophobicContact CG2-CZ 4.28Å; F438-L465 HydrophobicContact CB-CD1 4.07Å; F438-L465 HydrophobicContact CD1-CD1 4.07Å; F438-L465 HydrophobicContact CG-CD1 4.46Å; F438-M485 HydrophobicContact CE1-CB 4.35Å; F438-M485 HydrophobicContact CE1-CE 4.24Å; F438-M485 HydrophobicContact CE1-SD 3.81Å; F438-M485 HydrophobicContact CE2-SD 4.23Å; F438-M485 HydrophobicContact CZ-CE 3.72Å; F438-M485 HydrophobicContact CZ-SD 3.47Å; F438-M485 WeakPolarHBondContact CZ-SD 3.43Å; F438-W502 HydrophobicContact CZ-CH2 4.37Å; F438-I515 HydrophobicContact CD2-CG2 3.79Å; F438-I515 HydrophobicContact CE2-CG2 3.88Å; F438-Y516 PolarHBondContact N-O 3.2Å; F438-H517 CarbonylContact O-C 3.54Å; F438-H517 VanDerWaalsContact O-CA 3.26Å; F438-H517 WeakPolarHBondContact O-CA 3.43Å; F438-V518 PolarHBondContact O-N 3.01Å |
| 439 | G | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.7 | 161.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A286 F287 P288 V518 | A286-G439 PolarHBondContact O-N 2.65Å; F287-G439 WeakPolarHBondContact CA-O 3.29Å; F287-G439 WeakPolarHBondContact CD1-O 3.48Å; P288-G439 WeakPolarHBondContact CD-O 3.39Å; G439-V518 VanDerWaalsContact CA-O 3.25Å; G439-V518 WeakPolarHBondContact CA-O 3.44Å |
| 440 | G | 96.2 | Very high | 97.6 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | trans | -162.1 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R442 N519 | G440-R442 PolarHBondContact O-N 2.73Å; G440-N519 PolarHBondContact O-OD1 2.89Å | ||
| 441 | R | 95.9 | Very high | 97.7 | Very high | 58 Ų | 58 | 15.3 Ų | 15.3 | 22% | 0.219 | 8% | 0.08 | C | C | . | . | trans | -77.2 | 102.4 | 176.7 | -69.3 | 173.4 | 177.6 | -84.9 | -2 | 110 | A290 S467 E468 F521 | A290-R441 PolarHBondContact O-NE 3Å; A290-R441 PolarHBondContact O-NH2 2.83Å; R441-S467 PolarHBondContact N-OG 2.95Å; R441-S467 CarbonylContact O-C 3.54Å; R441-S467 WeakPolarHBondContact O-CA 3.25Å; R441-E468 HydrophobicContact CB-CB 3.87Å; R441-E468 HydrophobicContact CB-CG 4.09Å; R441-E468 PolarHBondContact O-N 3.49Å; R441-F521 HydrophobicContact CB-CB 4.24Å; R441-F521 HydrophobicContact CB-CD2 4.15Å; R441-F521 HydrophobicContact CB-CG 4.15Å; R441-F521 HydrophobicContact CG-CB 4.25Å; R441-F521 HydrophobicContact CG-CD1 3.92Å; R441-F521 HydrophobicContact CG-CD2 3.59Å; R441-F521 HydrophobicContact CG-CE1 4.11Å; R441-F521 HydrophobicContact CG-CE2 3.78Å; R441-F521 HydrophobicContact CG-CG 3.64Å; R441-F521 HydrophobicContact CG-CZ 4.04Å; R441-F521 VanDerWaalsContact CZ-CE1 3.47Å; R441-F521 VanDerWaalsContact NH1-CE1 3.27Å | ||
| 442 | R | 96.8 | Very high | 97.7 | Very high | 8 Ų | 8 | 15.5 Ų | 15.5 | 3% | 0.03 | 8% | 0.081 | C | C | . | . | trans | -121.2 | 103.7 | 176.3 | -63.9 | -62.3 | -58.9 | -91.6 | 6.4 | 109.7 | G440 E444 I446 K466 N519 F521 R522 Y587 D591 | G440-R442 PolarHBondContact O-N 2.73Å; R442-E444 PolarHBondContact O-N 3.41Å; R442-I446 HydrophobicContact CB-CB 4.07Å; R442-I446 HydrophobicContact CB-CG1 4.02Å; R442-I446 HydrophobicContact CG-CB 4.37Å; R442-I446 HydrophobicContact CG-CG1 3.98Å; R442-K466 WeakPolarHBondContact CD-O 3.3Å; R442-N519 PolarHBondContact N-OD1 2.92Å; R442-N519 PolarHBondContact O-ND2 3.23Å; R442-N519 PolarHBondContact O-OD1 3.39Å; R442-F521 CarbonylContact O-C 3.19Å; R442-R522 WeakPolarHBondContact O-CA 3.29Å; R442-R522 PolarHBondContact O-N 2.87Å; R442-Y587 PolarHBondContact NH2-OH 2.93Å; R442-D591 IonicContact CZ-OD1 3.62Å; R442-D591 IonicContact NH1-OD1 3.01Å; R442-D591 PolarHBondContact NH1-OD1 2.93Å; R442-D591 IonicContact NH1-OD2 3.52Å; R442-D591 IonicContact NH2-OD1 3.3Å; R442-D591 PolarHBondContact NH2-OD1 3.08Å; R442-D591 IonicContact NH2-OD2 3.42Å | ||
| 443 | P | 95.3 | Very high | 97.8 | Very high | 32 Ų | 32 | 16.8 Ų | 16.8 | 21% | 0.208 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -69.5 | -18.5 | -176 | 27.4 | -34.8 | 0 | 0 | 0 | 113.4 | L523 | P443-L523 HydrophobicContact CB-CD1 3.88Å; P443-L523 HydrophobicContact CB-CG 4.03Å; P443-L523 PolarHBondContact O-N 3.22Å |
| 444 | E | 95 | Very high | 97.7 | Very high | 114 Ų | 114 | 20.2 Ų | 20.2 | 53% | 0.533 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -140.5 | 156.9 | -175.5 | -172.8 | 169.9 | -166.6 | 0 | 0 | 112 | R442 I446 Y587 | R442-E444 PolarHBondContact O-N 3.41Å; E444-I446 PolarHBondContact O-N 3.3Å; E444-Y587 HydrophobicContact CB-CD2 4.41Å; E444-Y587 HydrophobicContact CB-CE2 3.76Å; E444-Y587 HydrophobicContact CG-CD2 3.83Å; E444-Y587 HydrophobicContact CG-CE2 3.7Å; E444-Y587 PolarHBondContact O-OH 3.47Å |
| 445 | G | 94.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 72.1 | -37.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 446 | I | 97.7 | Very high | 97.7 | Very high | 14 Ų | 14 | 23.9 Ų | 23.9 | 7% | 0.072 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -83.3 | 127.1 | -178.7 | -54.5 | -53.9 | 0 | 0 | 0 | 110.2 | R442 E444 N519 Y587 L588 | R442-I446 HydrophobicContact CB-CB 4.07Å; R442-I446 HydrophobicContact CB-CG1 4.02Å; R442-I446 HydrophobicContact CG-CB 4.37Å; R442-I446 HydrophobicContact CG-CG1 3.98Å; E444-I446 PolarHBondContact O-N 3.3Å; I446-N519 HydrophobicContact CB-CB 4.43Å; I446-N519 HydrophobicContact CG2-CB 4.02Å; I446-N519 PolarHBondContact O-ND2 2.91Å; I446-Y587 HydrophobicContact CD1-CE1 4.44Å; I446-L588 HydrophobicContact CD1-CD2 4.4Å |
| 447 | P | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -71.5 | 165.6 | -176 | 31.8 | -38 | 0 | 0 | 0 | 112.8 | V449 L450 N519 I559 L562 N580 F581 L583 | P447-V449 VanDerWaalsContact C-N 3.3Å; P447-V449 PolarHBondContact O-N 3.26Å; P447-L450 HydrophobicContact CG-CD2 4.1Å; P447-N519 WeakPolarHBondContact O-CB 3.45Å; P447-I559 HydrophobicContact CG-CD1 3.99Å; P447-L562 HydrophobicContact CB-CD2 4.25Å; P447-L562 HydrophobicContact CG-CD2 3.83Å; P447-N580 VanDerWaalsContact CA-O 3.27Å; P447-N580 WeakPolarHBondContact CA-O 3.27Å; P447-F581 HydrophobicContact CB-CD1 3.99Å; P447-L583 HydrophobicContact CG-CD2 4.2Å | ||
| 448 | L | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -53.9 | -43.3 | -179.4 | 177.4 | 60.7 | 0 | 0 | 0 | 113.2 | V518 N519 W520 W531 V540 N580 F581 | L448-V518 CarbonylContact O-C 3.25Å; L448-V518 VanDerWaalsContact O-CA 3.28Å; L448-V518 WeakPolarHBondContact O-CA 3.3Å; L448-N519 PolarHBondContact O-N 3.44Å; L448-W520 HydrophobicContact CD1-CE3 3.62Å; L448-W520 HydrophobicContact CD1-CZ3 3.71Å; L448-W520 HydrophobicContact CG-CZ3 4.49Å; L448-W531 HydrophobicContact CD1-CB 4Å; L448-W531 HydrophobicContact CD1-CD2 3.89Å; L448-W531 HydrophobicContact CD1-CG 3.57Å; L448-W531 HydrophobicContact CD2-CD2 3.79Å; L448-W531 HydrophobicContact CD2-CE3 3.74Å; L448-W531 HydrophobicContact CD2-CG 4.32Å; L448-W531 HydrophobicContact CD2-CH2 4.38Å; L448-W531 HydrophobicContact CD2-CZ2 4.4Å; L448-W531 HydrophobicContact CD2-CZ3 4.06Å; L448-V540 HydrophobicContact CD1-CG2 4.28Å; L448-V540 HydrophobicContact CD2-CG2 3.65Å; L448-V540 HydrophobicContact CG-CG2 3.86Å; L448-N580 HydrophobicContact CB-CB 4.29Å; L448-N580 PolarHBondContact N-O 2.93Å; L448-F581 HydrophobicContact CB-CE1 4Å; L448-F581 HydrophobicContact CB-CZ 3.9Å; L448-F581 HydrophobicContact CD2-CZ 4.12Å; L448-F581 HydrophobicContact CG-CZ 4.43Å |
| 449 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 145 | 176 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | P447 H517 V518 V540 W543 I544 P563 I568 F581 | P447-V449 VanDerWaalsContact C-N 3.3Å; P447-V449 PolarHBondContact O-N 3.26Å; V449-H517 CarbonylContact C-O 3.48Å; V449-H517 WeakPolarHBondContact CA-O 3.44Å; V449-V518 HydrophobicContact CB-CG1 4.19Å; V449-V518 HydrophobicContact CG2-CG1 3.9Å; V449-V540 HydrophobicContact CB-CG1 3.67Å; V449-V540 HydrophobicContact CG1-CG1 3.89Å; V449-V540 HydrophobicContact CG2-CG1 3.88Å; V449-W543 HydrophobicContact CG1-CE3 4.17Å; V449-W543 HydrophobicContact CG1-CZ3 4.3Å; V449-W543 HydrophobicContact CG2-CE3 4.15Å; V449-W543 HydrophobicContact CG2-CZ3 3.92Å; V449-I544 HydrophobicContact CG2-CD1 4.32Å; V449-I544 HydrophobicContact CG2-CG1 4.37Å; V449-P563 HydrophobicContact CG1-CG 3.57Å; V449-I568 HydrophobicContact CG1-CD1 3.9Å; V449-F581 HydrophobicContact CG1-CE1 3.99Å; V449-F581 HydrophobicContact CG1-CZ 4.22Å |
| 450 | L | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 152.5 | 165.2 | 66.2 | 88.9 | 0 | 0 | 0 | 110 | P447 L461 Y516 H517 I559 I561 L562 | P447-L450 HydrophobicContact CG-CD2 4.1Å; L450-L461 HydrophobicContact CD1-CD1 3.48Å; L450-L461 VanDerWaalsContact CD1-CD1 3.48Å; L450-L461 HydrophobicContact CD1-CD2 4.29Å; L450-Y516 CarbonylContact O-C 3.41Å; L450-Y516 VanDerWaalsContact O-CA 3.24Å; L450-Y516 WeakPolarHBondContact O-CA 3.42Å; L450-Y516 WeakPolarHBondContact O-CB 3.27Å; L450-H517 HydrophobicContact CD1-CB 3.94Å; L450-H517 HydrophobicContact CD2-CB 4.47Å; L450-H517 HydrophobicContact CG-CB 3.98Å; L450-H517 PolarHBondContact N-O 3.21Å; L450-H517 PolarHBondContact O-N 3.13Å; L450-I559 HydrophobicContact CD2-CD1 3.75Å; L450-I559 HydrophobicContact CD2-CG1 4.13Å; L450-I561 WeakPolarHBondContact CA-O 3.4Å; L450-L562 HydrophobicContact CB-CD2 3.75Å |
| 451 | Q | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 3% | 0.033 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 141.6 | 170.5 | -179.1 | -165.6 | -14.6 | 0 | 0 | 109.2 | Y516 W543 R547 G560 I561 | Q451-Y516 HydrophobicContact CB-CD1 3.6Å; Q451-Y516 HydrophobicContact CB-CE1 3.51Å; Q451-Y516 HydrophobicContact CG-CD1 3.95Å; Q451-Y516 HydrophobicContact CG-CE1 3.55Å; Q451-W543 HydrophobicContact CB-CH2 4.12Å; Q451-W543 HydrophobicContact CB-CZ3 4.43Å; Q451-R547 VanDerWaalsContact OE1-CZ 3.3Å; Q451-G560 WeakPolarHBondContact O-CA 3.38Å; Q451-I561 HydrophobicContact CB-CB 4.14Å; Q451-I561 PolarHBondContact N-O 3.48Å; Q451-I561 PolarHBondContact O-N 2.92Å |
| 452 | S | 98.8 | Very high | 98 | Very high | 5 Ų | 5 | 21.5 Ų | 21.5 | 4% | 0.035 | 10% | 0.104 | C | C | . | . | trans | -66.9 | 154.5 | 171.9 | 74.8 | 0 | 0 | 0 | 0 | 111.8 | D454 H457 I515 | S452-D454 WeakPolarHBondContact CB-O 3.05Å; S452-D454 PolarHBondContact OG-O 2.86Å; S452-H457 WeakPolarHBondContact CA-ND1 3.25Å; S452-I515 PolarHBondContact N-O 3.49Å; S452-I515 PolarHBondContact OG-O 2.61Å | ||
| 453 | F | 98.5 | Very high | 98.1 | Very high | 71 Ų | 71 | 21.1 Ų | 21.1 | 31% | 0.311 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -68.7 | -41.7 | 175.2 | -62 | -59.1 | 0 | 0 | 0 | 112.4 | H457 S557 I561 | F453-H457 HydrophobicContact CB-CB 4.32Å; F453-H457 HydrophobicContact CD2-CB 4.44Å; F453-H457 AromaticContact CD2-CD2 3.67Å; F453-H457 AromaticContact CD2-CE1 3.71Å; F453-H457 AromaticContact CD2-CG 3.72Å; F453-H457 AromaticContact CD2-ND1 3.76Å; F453-H457 AromaticContact CD2-NE2 3.65Å; F453-H457 AromaticContact CE2-CE1 3.91Å; F453-H457 AromaticContact CE2-NE2 3.73Å; F453-H457 PolarHBondContact N-ND1 3.47Å; F453-S557 VanDerWaalsContact CZ-O 3.29Å; F453-S557 WeakPolarHBondContact CZ-O 3.45Å; F453-I561 HydrophobicContact CD1-CD1 4.31Å; F453-I561 HydrophobicContact CD1-CG1 3.94Å; F453-I561 HydrophobicContact CE1-CG1 4.02Å |
| 454 | D | 98.2 | Very high | 98.2 | Very high | 79 Ų | 79 | 20.5 Ų | 20.5 | 42% | 0.422 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -151.9 | -170.1 | 178.1 | 62.3 | 26.4 | 0 | 0 | 0 | 110.2 | S452 K456 H457 G458 | S452-D454 WeakPolarHBondContact CB-O 3.05Å; S452-D454 PolarHBondContact OG-O 2.86Å; D454-K456 PolarHBondContact OD1-N 2.85Å; D454-H457 WeakPolarHBondContact OD1-CB 3.46Å; D454-H457 PolarHBondContact OD1-N 3.02Å; D454-G458 PolarHBondContact O-N 3Å |
| 455 | W | 98.5 | Very high | 98.3 | Very high | 13 Ų | 13 | 15 Ų | 15 | 5% | 0.049 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 178.5 | -173 | -103.1 | 0 | 0 | 0 | 112.7 | I436 G458 V459 W502 M505 D506 L512 P513 I515 | I436-W455 HydrophobicContact CD1-CH2 4.31Å; W455-G458 CarbonylContact O-C 3.44Å; W455-G458 WeakPolarHBondContact O-CA 3.48Å; W455-G458 PolarHBondContact O-N 3.25Å; W455-G458 VanDerWaalsContact O-N 3.08Å; W455-V459 WeakPolarHBondContact O-CG2 3.13Å; W455-V459 PolarHBondContact O-N 3.33Å; W455-W502 HydrophobicContact CH2-CE3 4.1Å; W455-W502 AromaticContact CH2-CZ3 3.83Å; W455-W502 HydrophobicContact CH2-CZ3 3.83Å; W455-W502 AromaticContact CZ2-CE3 3.68Å; W455-W502 HydrophobicContact CZ2-CE3 3.68Å; W455-W502 AromaticContact CZ2-CZ3 3.91Å; W455-W502 HydrophobicContact CZ2-CZ3 3.91Å; W455-W502 PolarHBondContact NE1-O 2.82Å; W455-M505 HydrophobicContact CZ2-CB 3.89Å; W455-D506 HydrophobicContact CG-CB 4.37Å; W455-L512 HydrophobicContact CB-CD1 3.77Å; W455-L512 HydrophobicContact CD2-CD1 3.91Å; W455-L512 HydrophobicContact CD2-CD2 4.11Å; W455-L512 HydrophobicContact CD2-CG 4.41Å; W455-L512 HydrophobicContact CE3-CB 3.84Å; W455-L512 HydrophobicContact CE3-CD1 4.05Å; W455-L512 HydrophobicContact CE3-CD2 4.04Å; W455-L512 HydrophobicContact CE3-CG 4.2Å; W455-L512 HydrophobicContact CG-CD1 3.81Å; W455-L512 HydrophobicContact CH2-CD2 4.38Å; W455-L512 HydrophobicContact CZ2-CD2 4.44Å; W455-L512 HydrophobicContact CZ3-CB 4.17Å; W455-L512 HydrophobicContact CZ3-CD2 4.18Å; W455-P513 HydrophobicContact CH2-CG 4.48Å; W455-P513 HydrophobicContact CZ3-CG 3.98Å; W455-I515 HydrophobicContact CD2-CD1 4.11Å; W455-I515 HydrophobicContact CE3-CD1 3.59Å; W455-I515 HydrophobicContact CE3-CG1 4.23Å; W455-I515 HydrophobicContact CH2-CD1 4.31Å; W455-I515 HydrophobicContact CZ3-CD1 3.7Å; W455-I515 HydrophobicContact CZ3-CG1 4.12Å |
| 456 | K | 98.6 | Very high | 98.4 | Very high | 88 Ų | 88 | 15.3 Ų | 15.3 | 38% | 0.383 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -65.1 | -45.8 | -176.8 | -64.7 | 171.2 | -176.7 | 171.4 | 0 | 110.8 | D454 G458 V459 M460 L503 V610 E614 | D454-K456 PolarHBondContact OD1-N 2.85Å; K456-G458 VanDerWaalsContact C-N 3.27Å; K456-G458 PolarHBondContact O-N 2.95Å; K456-V459 PolarHBondContact O-N 2.85Å; K456-M460 PolarHBondContact O-N 2.94Å; K456-L503 HydrophobicContact CB-CD2 4.41Å; K456-L503 HydrophobicContact CG-CD2 4.17Å; K456-V610 HydrophobicContact CB-CG1 3.86Å; K456-V610 HydrophobicContact CD-CG1 3.8Å; K456-V610 HydrophobicContact CG-CG1 3.83Å; K456-E614 HydrophobicContact CB-CG 4.47Å |
| 457 | H | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60 | -40 | 171.8 | -173 | -101.8 | 0 | 0 | 0 | 111.1 | S452 F453 D454 M460 L461 I559 E614 | S452-H457 WeakPolarHBondContact CA-ND1 3.25Å; F453-H457 HydrophobicContact CB-CB 4.32Å; F453-H457 HydrophobicContact CD2-CB 4.44Å; F453-H457 AromaticContact CD2-CD2 3.67Å; F453-H457 AromaticContact CD2-CE1 3.71Å; F453-H457 AromaticContact CD2-CG 3.72Å; F453-H457 AromaticContact CD2-ND1 3.76Å; F453-H457 AromaticContact CD2-NE2 3.65Å; F453-H457 AromaticContact CE2-CE1 3.91Å; F453-H457 AromaticContact CE2-NE2 3.73Å; F453-H457 PolarHBondContact N-ND1 3.47Å; D454-H457 WeakPolarHBondContact OD1-CB 3.46Å; D454-H457 PolarHBondContact OD1-N 3.02Å; H457-M460 VanDerWaalsContact CD2-CE 3.41Å; H457-M460 WeakPolarHBondContact CD2-CE 3.27Å; H457-M460 WeakPolarHBondContact NE2-CE 3.44Å; H457-M460 WeakPolarHBondContact O-CB 3.34Å; H457-M460 PolarHBondContact O-N 3.35Å; H457-L461 WeakPolarHBondContact O-CG 3.38Å; H457-L461 PolarHBondContact O-N 3.45Å; H457-I559 PolarHBondContact CE1-O 3.37Å; H457-E614 IonicContact CD2-OE2 3.5Å; H457-E614 PolarHBondContact CD2-OE2 3.15Å |
| 458 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D454 W455 K456 M460 L461 G462 | D454-G458 PolarHBondContact O-N 3Å; W455-G458 CarbonylContact O-C 3.44Å; W455-G458 WeakPolarHBondContact O-CA 3.48Å; W455-G458 PolarHBondContact O-N 3.25Å; W455-G458 VanDerWaalsContact O-N 3.08Å; K456-G458 VanDerWaalsContact C-N 3.27Å; K456-G458 PolarHBondContact O-N 2.95Å; G458-M460 VanDerWaalsContact C-N 3.34Å; G458-L461 PolarHBondContact O-N 2.9Å; G458-G462 PolarHBondContact O-N 3.49Å |
| 459 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.3 | -39.3 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | W455 K456 G462 A463 L499 W502 L503 I611 | W455-V459 WeakPolarHBondContact O-CG2 3.13Å; W455-V459 PolarHBondContact O-N 3.33Å; K456-V459 PolarHBondContact O-N 2.85Å; V459-G462 PolarHBondContact O-N 2.99Å; V459-A463 WeakPolarHBondContact O-CB 3.41Å; V459-A463 PolarHBondContact O-N 2.74Å; V459-L499 HydrophobicContact CG1-CD2 4.07Å; V459-W502 HydrophobicContact CG1-CB 4.03Å; V459-W502 HydrophobicContact CG2-CB 4.12Å; V459-W502 HydrophobicContact CG2-CE3 4.21Å; V459-L503 HydrophobicContact CB-CD2 4.06Å; V459-L503 HydrophobicContact CG1-CD2 4.19Å; V459-L503 HydrophobicContact CG1-CG 4.2Å; V459-L503 HydrophobicContact CG2-CD2 4.19Å; V459-I611 HydrophobicContact CB-CD1 4.21Å; V459-I611 HydrophobicContact CG1-CD1 3.86Å |
| 460 | M | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 173.3 | 179.4 | -78.5 | -67.8 | 0 | 0 | 111.8 | K456 H457 G458 G462 A463 A464 I611 E614 L615 | K456-M460 PolarHBondContact O-N 2.94Å; H457-M460 VanDerWaalsContact CD2-CE 3.41Å; H457-M460 WeakPolarHBondContact CD2-CE 3.27Å; H457-M460 WeakPolarHBondContact NE2-CE 3.44Å; H457-M460 WeakPolarHBondContact O-CB 3.34Å; H457-M460 PolarHBondContact O-N 3.35Å; G458-M460 VanDerWaalsContact C-N 3.34Å; M460-G462 VanDerWaalsContact C-N 3.28Å; M460-G462 PolarHBondContact O-N 3.15Å; M460-A463 CarbonylContact O-C 3.47Å; M460-A463 WeakPolarHBondContact O-CB 3.18Å; M460-A463 PolarHBondContact O-N 2.9Å; M460-A463 VanDerWaalsContact O-N 3.09Å; M460-A464 WeakPolarHBondContact O-CB 3.43Å; M460-A464 PolarHBondContact O-N 3.07Å; M460-A464 HydrophobicContact SD-CB 4.37Å; M460-I611 HydrophobicContact CB-CD1 4.06Å; M460-I611 HydrophobicContact CB-CG2 4.38Å; M460-I611 HydrophobicContact CG-CG2 4.18Å; M460-E614 HydrophobicContact CB-CB 3.83Å; M460-E614 HydrophobicContact CB-CG 4.4Å; M460-E614 HydrophobicContact CE-CB 4.25Å; M460-E614 HydrophobicContact CG-CB 3.76Å; M460-L615 HydrophobicContact CG-CD2 3.9Å; M460-L615 HydrophobicContact CG-CG 3.95Å; M460-L615 HydrophobicContact SD-CD2 3.72Å; M460-L615 HydrophobicContact SD-CG 4.38Å |
| 461 | L | 98.6 | Very high | 95.8 | Very high | 14 Ų | 14 | 20.2 Ų | 20.2 | 7% | 0.073 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.2 | -39.8 | 176 | -70.1 | 174.9 | 0 | 0 | 0 | 112.1 | L450 H457 G458 A464 L465 | L450-L461 HydrophobicContact CD1-CD1 3.48Å; L450-L461 VanDerWaalsContact CD1-CD1 3.48Å; L450-L461 HydrophobicContact CD1-CD2 4.29Å; H457-L461 WeakPolarHBondContact O-CG 3.38Å; H457-L461 PolarHBondContact O-N 3.45Å; G458-L461 PolarHBondContact O-N 2.9Å; L461-A464 PolarHBondContact O-N 3.35Å; L461-L465 PolarHBondContact O-N 2.85Å |
| 462 | G | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.6 | -42.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G458 V459 M460 A464 L465 P484 M485 | G458-G462 PolarHBondContact O-N 3.49Å; V459-G462 PolarHBondContact O-N 2.99Å; M460-G462 VanDerWaalsContact C-N 3.28Å; M460-G462 PolarHBondContact O-N 3.15Å; G462-A464 VanDerWaalsContact C-N 3.25Å; G462-A464 PolarHBondContact O-N 2.85Å; G462-L465 VanDerWaalsContact O-CB 3.27Å; G462-L465 WeakPolarHBondContact O-CB 3.1Å; G462-L465 PolarHBondContact O-N 3.45Å; G462-P484 CarbonylContact O-C 3.48Å; G462-P484 WeakPolarHBondContact O-CA 3.18Å; G462-M485 VanDerWaalsContact C-SD 3.54Å; G462-M485 WeakPolarHBondContact CA-SD 3.4Å; G462-M485 PolarHBondContact O-N 3.48Å |
| 463 | A | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.7 | -27.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V459 M460 L465 P484 L499 I611 | V459-A463 WeakPolarHBondContact O-CB 3.41Å; V459-A463 PolarHBondContact O-N 2.74Å; M460-A463 CarbonylContact O-C 3.47Å; M460-A463 WeakPolarHBondContact O-CB 3.18Å; M460-A463 PolarHBondContact O-N 2.9Å; M460-A463 VanDerWaalsContact O-N 3.09Å; A463-L465 VanDerWaalsContact C-N 3.34Å; A463-P484 WeakPolarHBondContact O-CB 3.45Å; A463-L499 HydrophobicContact CB-CD1 4.11Å; A463-L499 HydrophobicContact CB-CD2 3.79Å; A463-I611 HydrophobicContact CB-CG2 4.44Å |
| 464 | A | 98.2 | Very high | 92.6 | Very high | 18 Ų | 18 | 20.9 Ų | 20.9 | 15% | 0.149 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | M460 L461 G462 K466 T595 | M460-A464 WeakPolarHBondContact O-CB 3.43Å; M460-A464 PolarHBondContact O-N 3.07Å; M460-A464 HydrophobicContact SD-CB 4.37Å; L461-A464 PolarHBondContact O-N 3.35Å; G462-A464 VanDerWaalsContact C-N 3.25Å; G462-A464 PolarHBondContact O-N 2.85Å; A464-K466 PolarHBondContact O-N 3.33Å; A464-T595 HydrophobicContact CB-CG2 3.78Å |
| 465 | L | 98 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -61.6 | 125 | -175.3 | -165.9 | 160.7 | 0 | 0 | 0 | 111.2 | P288 F438 L461 G462 A463 D483 | P288-L465 HydrophobicContact CG-CD2 3.61Å; F438-L465 HydrophobicContact CB-CD1 4.07Å; F438-L465 HydrophobicContact CD1-CD1 4.07Å; F438-L465 HydrophobicContact CG-CD1 4.46Å; L461-L465 PolarHBondContact O-N 2.85Å; G462-L465 VanDerWaalsContact O-CB 3.27Å; G462-L465 WeakPolarHBondContact O-CB 3.1Å; G462-L465 PolarHBondContact O-N 3.45Å; A463-L465 VanDerWaalsContact C-N 3.34Å; L465-D483 HydrophobicContact CD2-CB 4.31Å; L465-D483 WeakPolarHBondContact CD2-O 3.24Å; L465-D483 CarbonylContact O-C 3.51Å; L465-D483 PolarHBondContact O-N 3.32Å | ||
| 466 | K | 96.6 | Very high | 90 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 151 | 172 | -56.7 | 175 | -159.6 | -178.4 | 0 | 110.9 | R442 A464 V480 M481 H482 D591 E594 T595 | R442-K466 WeakPolarHBondContact CD-O 3.3Å; A464-K466 PolarHBondContact O-N 3.33Å; K466-V480 HydrophobicContact CB-CG1 3.75Å; K466-V480 HydrophobicContact CD-CG1 4.32Å; K466-M481 CarbonylContact C-O 3.6Å; K466-M481 VanDerWaalsContact CA-O 3.27Å; K466-M481 WeakPolarHBondContact CA-O 3.43Å; K466-H482 WeakPolarHBondContact CE-CE1 3.49Å; K466-D591 WeakPolarHBondContact CE-OD1 3.46Å; K466-D591 PolarHBondContact NZ-O 2.82Å; K466-D591 IonicContact NZ-OD1 3.84Å; K466-D591 PolarHBondContact NZ-OD1 3.14Å; K466-D591 IonicContact NZ-OD2 3.37Å; K466-E594 VanDerWaalsContact CE-OE2 3.29Å; K466-E594 WeakPolarHBondContact CE-OE2 3.38Å; K466-E594 IonicContact NZ-OE2 3.51Å; K466-E594 PolarHBondContact NZ-OE2 3.14Å; K466-T595 WeakPolarHBondContact CE-OG1 3.4Å; K466-T595 PolarHBondContact NZ-OG1 2.94Å |
| 467 | S | 94.7 | Very high | 88.7 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 150.1 | 174.9 | -177 | 0 | 0 | 0 | 0 | 111 | C291 R441 M481 | C291-S467 PolarHBondContact SG-OG 3.4Å; R441-S467 PolarHBondContact N-OG 2.95Å; R441-S467 CarbonylContact O-C 3.54Å; R441-S467 WeakPolarHBondContact O-CA 3.25Å; S467-M481 PolarHBondContact N-O 3.08Å; S467-M481 VanDerWaalsContact O-CG 3.25Å; S467-M481 WeakPolarHBondContact O-CG 3.45Å; S467-M481 PolarHBondContact O-N 2.96Å; S467-M481 VanDerWaalsContact O-O 3.13Å |
| 468 | E | 91.8 | Very high | 87.6 | Confident | 33 Ų | 33 | 35.6 Ų | 35.6 | 15% | 0.154 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 139.1 | 163.4 | -65.7 | -175.9 | 150.9 | 0 | 0 | 111.1 | R441 Q479 V480 | R441-E468 HydrophobicContact CB-CB 3.87Å; R441-E468 HydrophobicContact CB-CG 4.09Å; R441-E468 PolarHBondContact O-N 3.49Å; E468-Q479 CarbonylContact C-O 3.51Å; E468-Q479 WeakPolarHBondContact CA-O 3.35Å; E468-V480 HydrophobicContact CG-CG2 4.08Å |
| 469 | A | 86.4 | Confident | 87.1 | Confident | 17 Ų | 17 | 42.8 Ų | 42.8 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | trans | -58.5 | 146.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F475 Q479 M481 | A469-F475 HydrophobicContact CB-CB 4.08Å; A469-Q479 PolarHBondContact N-O 3.07Å; A469-M481 HydrophobicContact CB-CG 4.5Å; A469-M481 HydrophobicContact CB-SD 3.64Å | ||
| 470 | T | 82.9 | Confident | 86.7 | Confident | 30 Ų | 30 | 45.9 Ų | 45.9 | 18% | 0.184 | 25% | 0.245 | C | C | . | . | trans | -130.3 | 163 | -178.7 | 74.1 | 0 | 0 | 0 | 0 | 111.7 | S289 A290 A472 | S289-T470 WeakPolarHBondContact O-CG2 3.26Å; S289-T470 PolarHBondContact O-OG1 2.92Å; A290-T470 HydrophobicContact CB-CG2 4.06Å; T470-A472 PolarHBondContact O-N 2.84Å | ||
| 471 | A | 82.1 | Confident | 86.4 | Confident | 40 Ų | 40 | 47.7 Ų | 47.7 | 33% | 0.331 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 7.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | P407 N408 A473 | P407-A471 HydrophobicContact CB-CB 3.58Å; N408-A471 HydrophobicContact CB-CB 4.37Å; N408-A471 WeakPolarHBondContact CB-O 3.31Å; A471-A473 PolarHBondContact O-N 3.35Å |
| 472 | A | 70.6 | Confident | 86.3 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -4.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R88 T470 | R88-A472 PolarHBondContact NH2-O 3.15Å; T470-A472 PolarHBondContact O-N 2.84Å |
| 473 | A | 78.1 | Confident | 86.2 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -149.7 | -167.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | R88 E90 A471 F475 | R88-A473 WeakPolarHBondContact O-CA 3.44Å; E90-A473 HydrophobicContact CG-CB 4.24Å; E90-A473 WeakPolarHBondContact OE1-CB 3.36Å; A471-A473 PolarHBondContact O-N 3.35Å; A473-F475 VanDerWaalsContact C-N 3.28Å; A473-F475 HydrophobicContact CB-CD2 3.97Å; A473-F475 HydrophobicContact CB-CE2 4.08Å; A473-F475 PolarHBondContact O-N 3.33Å |
| 474 | E | 79.3 | Confident | 86.2 | Confident | 85 Ų | 85 | 48.3 Ų | 48.3 | 40% | 0.397 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -77.8 | 2.4 | -173.1 | 66.9 | -159.1 | 156.6 | 0 | 0 | 115.8 | S91 | S91-E474 WeakPolarHBondContact CB-OE1 3.25Å; S91-E474 WeakPolarHBondContact CB-OE2 3.38Å; S91-E474 PolarHBondContact N-OE1 2.87Å; S91-E474 PolarHBondContact OG-OE1 2.85Å; S91-E474 PolarHBondContact OG-OE2 3.33Å |
| 475 | F | 74.3 | Confident | 86.2 | Confident | 72 Ų | 72 | 47.5 Ų | 47.5 | 32% | 0.316 | 25% | 0.249 | S | C | . | . | trans | -79 | 139.6 | -178.9 | -54.4 | -81.6 | 0 | 0 | 0 | 111.8 | E90 A469 A473 M481 | E90-F475 WeakPolarHBondContact OE2-CE2 3.47Å; E90-F475 WeakPolarHBondContact OE2-CZ 3.34Å; A469-F475 HydrophobicContact CB-CB 4.08Å; A473-F475 VanDerWaalsContact C-N 3.28Å; A473-F475 HydrophobicContact CB-CD2 3.97Å; A473-F475 HydrophobicContact CB-CE2 4.08Å; A473-F475 PolarHBondContact O-N 3.33Å; F475-M481 HydrophobicContact CD1-CE 4.44Å; F475-M481 HydrophobicContact CD2-CE 4.35Å; F475-M481 HydrophobicContact CE1-CE 4.41Å; F475-M481 HydrophobicContact CE2-CE 4.35Å; F475-M481 HydrophobicContact CG-CE 4.43Å; F475-M481 HydrophobicContact CZ-CE 4.39Å | ||
| 476 | K | 67.9 | Low | 86.2 | Confident | 193 Ų | 193 | 47.5 Ų | 47.5 | 84% | 0.839 | 25% | 0.249 | S | C | * | . | trans | -117 | 145.3 | 179.6 | -62.5 | -172.9 | -179.6 | -177.2 | 0 | 111.2 | ||||
| 477 | G | 70.4 | Confident | 86.3 | Confident | 55 Ų | 55 | 47.3 Ų | 47.3 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 92.5 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 478 | K | 77.3 | Confident | 86.4 | Confident | 169 Ų | 169 | 48 Ų | 48 | 74% | 0.735 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -99.5 | 36.2 | -179.4 | -61.1 | -171.8 | 178 | -175.5 | 0 | 112.6 | ||
| 479 | Q | 86.8 | Confident | 86.5 | Confident | 151 Ų | 151 | 47.3 Ų | 47.3 | 71% | 0.706 | 25% | 0.249 | S | C | * | . | trans | -75.4 | 132.9 | 178.6 | -69.5 | -177.4 | -11.4 | 0 | 0 | 109.8 | E468 A469 M481 | E468-Q479 CarbonylContact C-O 3.51Å; E468-Q479 WeakPolarHBondContact CA-O 3.35Å; A469-Q479 PolarHBondContact N-O 3.07Å; Q479-M481 PolarHBondContact O-N 2.83Å | ||
| 480 | V | 91.1 | Very high | 87 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 39% | 0.394 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 125.7 | 171 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | K466 E468 | K466-V480 HydrophobicContact CB-CG1 3.75Å; K466-V480 HydrophobicContact CD-CG1 4.32Å; E468-V480 HydrophobicContact CG-CG2 4.08Å |
| 481 | M | 93 | Very high | 87.7 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 19% | 0.192 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 149.1 | 179.2 | 59.4 | -174.5 | -57.6 | 0 | 0 | 109.9 | K466 S467 A469 F475 Q479 | K466-M481 CarbonylContact C-O 3.6Å; K466-M481 VanDerWaalsContact CA-O 3.27Å; K466-M481 WeakPolarHBondContact CA-O 3.43Å; S467-M481 PolarHBondContact N-O 3.08Å; S467-M481 VanDerWaalsContact O-CG 3.25Å; S467-M481 WeakPolarHBondContact O-CG 3.45Å; S467-M481 PolarHBondContact O-N 2.96Å; S467-M481 VanDerWaalsContact O-O 3.13Å; A469-M481 HydrophobicContact CB-CG 4.5Å; A469-M481 HydrophobicContact CB-SD 3.64Å; F475-M481 HydrophobicContact CD1-CE 4.44Å; F475-M481 HydrophobicContact CD2-CE 4.35Å; F475-M481 HydrophobicContact CE1-CE 4.41Å; F475-M481 HydrophobicContact CE2-CE 4.35Å; F475-M481 HydrophobicContact CG-CE 4.43Å; F475-M481 HydrophobicContact CZ-CE 4.39Å; Q479-M481 PolarHBondContact O-N 2.83Å |
| 482 | H | 96.1 | Very high | 88.4 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.065 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 133.4 | 167.8 | -71.5 | -93.5 | 0 | 0 | 0 | 109.8 | K466 R488 E594 Y598 | K466-H482 WeakPolarHBondContact CE-CE1 3.49Å; H482-R488 VanDerWaalsContact O-CD 3.26Å; H482-R488 WeakPolarHBondContact O-CD 3.45Å; H482-E594 IonicContact CD2-OE1 3.83Å; H482-E594 IonicContact CE1-OE2 3.93Å; H482-E594 VanDerWaalsContact NE2-CD 3.27Å; H482-E594 IonicContact NE2-OE1 3.9Å; H482-E594 PolarHBondContact NE2-OE1 3.45Å; H482-E594 IonicContact NE2-OE2 2.67Å; H482-E594 PolarHBondContact NE2-OE2 2.99Å; H482-Y598 HydrophobicContact CB-CD1 4.09Å; H482-Y598 HydrophobicContact CB-CD2 4.07Å; H482-Y598 HydrophobicContact CB-CE1 3.6Å; H482-Y598 HydrophobicContact CB-CE2 3.54Å; H482-Y598 HydrophobicContact CB-CG 4.32Å; H482-Y598 AromaticContact CD2-CD1 3.9Å; H482-Y598 AromaticContact CD2-CD2 3.35Å; H482-Y598 WeakPolarHBondContact CD2-CD2 3.04Å; H482-Y598 AromaticContact CD2-CE2 3.75Å; H482-Y598 AromaticContact CD2-CG 3.43Å; H482-Y598 VanDerWaalsContact CD2-CG 3.43Å; H482-Y598 AromaticContact CE1-CD1 3.5Å; H482-Y598 VanDerWaalsContact CE1-CD1 3.5Å; H482-Y598 WeakPolarHBondContact CE1-CD1 3.2Å; H482-Y598 AromaticContact CE1-CG 3.5Å; H482-Y598 AromaticContact CG-CD1 3.52Å; H482-Y598 AromaticContact CG-CD2 3.63Å; H482-Y598 AromaticContact CG-CE1 3.58Å; H482-Y598 AromaticContact CG-CE2 3.65Å; H482-Y598 AromaticContact CG-CG 3.56Å; H482-Y598 AromaticContact CG-CZ 3.65Å; H482-Y598 AromaticContact ND1-CD1 3.31Å; H482-Y598 VanDerWaalsContact ND1-CD1 3.31Å; H482-Y598 WeakPolarHBondContact ND1-CD1 3.49Å; H482-Y598 AromaticContact ND1-CE1 3.61Å; H482-Y598 AromaticContact ND1-CG 3.67Å; H482-Y598 WeakPolarHBondContact NE2-CB 3.49Å; H482-Y598 AromaticContact NE2-CD1 3.89Å; H482-Y598 AromaticContact NE2-CD2 3.79Å; H482-Y598 AromaticContact NE2-CG 3.41Å |
| 483 | D | 96.9 | Very high | 89.7 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | trans | -140.3 | 65.8 | 169.4 | -166.9 | -10.7 | 0 | 0 | 0 | 108.4 | P288 L465 M485 A486 M487 R488 | P288-D483 HydrophobicContact CB-CB 4.48Å; P288-D483 VanDerWaalsContact CB-OD2 3.32Å; P288-D483 WeakPolarHBondContact CB-OD2 3.42Å; P288-D483 HydrophobicContact CG-CB 3.89Å; L465-D483 HydrophobicContact CD2-CB 4.31Å; L465-D483 WeakPolarHBondContact CD2-O 3.24Å; L465-D483 CarbonylContact O-C 3.51Å; L465-D483 PolarHBondContact O-N 3.32Å; D483-M485 PolarHBondContact O-N 3.12Å; D483-A486 WeakPolarHBondContact O-CA 3.3Å; D483-A486 PolarHBondContact O-N 3.48Å; D483-A486 VanDerWaalsContact OD1-C 3.31Å; D483-A486 WeakPolarHBondContact OD1-CA 3.3Å; D483-M487 PolarHBondContact OD1-N 2.92Å; D483-R488 HydrophobicContact CB-CB 4.46Å; D483-R488 WeakPolarHBondContact OD1-CB 3.29Å; D483-R488 PolarHBondContact OD1-N 3.02Å | ||
| 484 | P | 98 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -51.7 | 131 | -173.5 | 17.6 | -32.4 | 0 | 0 | 0 | 111.5 | L115 G462 A463 A486 M487 F495 | L115-P484 HydrophobicContact CD2-CG 3.6Å; G462-P484 CarbonylContact O-C 3.48Å; G462-P484 WeakPolarHBondContact O-CA 3.18Å; A463-P484 WeakPolarHBondContact O-CB 3.45Å; P484-A486 PolarHBondContact O-N 3.3Å; P484-M487 PolarHBondContact O-N 3.31Å; P484-F495 HydrophobicContact CB-CE1 4Å; P484-F495 HydrophobicContact CB-CE2 3.85Å; P484-F495 HydrophobicContact CB-CZ 3.32Å; P484-F495 HydrophobicContact CG-CE1 4.1Å; P484-F495 HydrophobicContact CG-CE2 4.1Å; P484-F495 HydrophobicContact CG-CZ 3.75Å |
| 485 | M | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | 60.1 | 14.1 | 178.3 | -52.3 | -82.7 | -71.5 | 0 | 0 | 113.2 | F438 G462 D483 M487 F495 Y498 W502 | F438-M485 HydrophobicContact CE1-CB 4.35Å; F438-M485 HydrophobicContact CE1-CE 4.24Å; F438-M485 HydrophobicContact CE1-SD 3.81Å; F438-M485 HydrophobicContact CE2-SD 4.23Å; F438-M485 HydrophobicContact CZ-CE 3.72Å; F438-M485 HydrophobicContact CZ-SD 3.47Å; F438-M485 WeakPolarHBondContact CZ-SD 3.43Å; G462-M485 VanDerWaalsContact C-SD 3.54Å; G462-M485 WeakPolarHBondContact CA-SD 3.4Å; G462-M485 PolarHBondContact O-N 3.48Å; D483-M485 PolarHBondContact O-N 3.12Å; M485-M487 HydrophobicContact CB-CB 4.19Å; M485-M487 HydrophobicContact CB-CG 4.29Å; M485-M487 PolarHBondContact O-N 3.23Å; M485-F495 HydrophobicContact CG-CE2 4.4Å; M485-Y498 HydrophobicContact CB-CE1 4.18Å; M485-Y498 HydrophobicContact CE-CE1 3.8Å; M485-Y498 WeakPolarHBondContact CE-OH 3.43Å; M485-Y498 HydrophobicContact CG-CE1 3.81Å; M485-W502 HydrophobicContact CE-CD2 3.3Å; M485-W502 HydrophobicContact CE-CE3 3.85Å; M485-W502 HydrophobicContact CE-CG 3.67Å; M485-W502 HydrophobicContact CE-CH2 4Å; M485-W502 HydrophobicContact CE-CZ2 3.46Å; M485-W502 VanDerWaalsContact CE-CZ2 3.46Å; M485-W502 HydrophobicContact CE-CZ3 4.17Å |
| 486 | A | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | 55 | 22.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H267 A286 F287 P288 D483 P484 | H267-A486 PolarHBondContact ND1-O 3.24Å; A286-A486 HydrophobicContact CB-CB 4.12Å; F287-A486 VanDerWaalsContact C-CB 3.44Å; P288-A486 HydrophobicContact CG-CB 4.18Å; D483-A486 WeakPolarHBondContact O-CA 3.3Å; D483-A486 PolarHBondContact O-N 3.48Å; D483-A486 VanDerWaalsContact OD1-C 3.31Å; D483-A486 WeakPolarHBondContact OD1-CA 3.3Å; P484-A486 PolarHBondContact O-N 3.3Å |
| 487 | M | 98.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | trans | -113.5 | -0.3 | -171.2 | -78.9 | -68.3 | -76.7 | 0 | 0 | 113.4 | L251 H267 D483 P484 M485 P489 F490 V491 Y498 | L251-M487 HydrophobicContact CB-CE 4.44Å; L251-M487 HydrophobicContact CD1-SD 4.47Å; L251-M487 HydrophobicContact CD2-CE 4.48Å; L251-M487 HydrophobicContact CD2-SD 4.16Å; H267-M487 HydrophobicContact CB-CG 4.42Å; H267-M487 HydrophobicContact CB-SD 3.66Å; D483-M487 PolarHBondContact OD1-N 2.92Å; P484-M487 PolarHBondContact O-N 3.31Å; M485-M487 HydrophobicContact CB-CB 4.19Å; M485-M487 HydrophobicContact CB-CG 4.29Å; M485-M487 PolarHBondContact O-N 3.23Å; M487-P489 VanDerWaalsContact C-N 3.29Å; M487-F490 HydrophobicContact CE-CB 4.01Å; M487-F490 CarbonylContact O-C 3.44Å; M487-F490 WeakPolarHBondContact O-CA 3.33Å; M487-F490 PolarHBondContact O-N 3.38Å; M487-F490 HydrophobicContact SD-CB 3.79Å; M487-F490 HydrophobicContact SD-CD2 4.31Å; M487-V491 HydrophobicContact CB-CG2 3.98Å; M487-V491 WeakPolarHBondContact O-CG2 3.44Å; M487-V491 PolarHBondContact O-N 3.32Å; M487-Y498 HydrophobicContact CE-CE2 4.41Å | ||
| 488 | R | 96.2 | Very high | 95.5 | Very high | 18 Ų | 18 | 27.1 Ų | 27.1 | 7% | 0.068 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45 | -44.6 | -177 | 179.9 | -166.8 | 68.1 | 109.1 | 15.6 | 114.3 | E90 V114 L115 H482 D483 F490 | E90-R488 VanDerWaalsContact CD-NH2 3.32Å; E90-R488 IonicContact OE1-NH2 2.65Å; E90-R488 PolarHBondContact OE1-NH2 3.14Å; E90-R488 VanDerWaalsContact OE1-NH2 3.16Å; E90-R488 IonicContact OE2-CZ 3.5Å; E90-R488 IonicContact OE2-NH1 3.37Å; E90-R488 PolarHBondContact OE2-NH1 3.26Å; E90-R488 IonicContact OE2-NH2 3.55Å; E90-R488 PolarHBondContact OE2-NH2 2.68Å; V114-R488 WeakPolarHBondContact O-CG 3.42Å; L115-R488 HydrophobicContact CD2-CG 4.21Å; H482-R488 VanDerWaalsContact O-CD 3.26Å; H482-R488 WeakPolarHBondContact O-CD 3.45Å; D483-R488 HydrophobicContact CB-CB 4.46Å; D483-R488 WeakPolarHBondContact OD1-CB 3.29Å; D483-R488 PolarHBondContact OD1-N 3.02Å; R488-F490 VanDerWaalsContact C-N 3.34Å |
| 489 | P | 94.3 | Very high | 96.6 | Very high | 18 Ų | 18 | 19.1 Ų | 19.1 | 12% | 0.117 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 6.7 | -179.3 | 37.8 | -35.9 | 0 | 0 | 0 | 114.3 | E90 R252 M487 | E90-P489 VanDerWaalsContact CD-CB 3.46Å; E90-P489 HydrophobicContact CG-CB 4Å; E90-P489 WeakPolarHBondContact OE1-CB 3.39Å; R252-P489 PolarHBondContact NE-O 3.17Å; R252-P489 PolarHBondContact NH2-O 3.28Å; M487-P489 VanDerWaalsContact C-N 3.29Å |
| 490 | F | 97.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.3 | -10.5 | -166.9 | -50.5 | -56.4 | 0 | 0 | 0 | 114.8 | K247 L251 R252 H267 M487 R488 G492 | K247-F490 HydrophobicContact CB-CD1 4.3Å; K247-F490 HydrophobicContact CB-CE1 4.15Å; K247-F490 HydrophobicContact CD-CD1 4.15Å; K247-F490 HydrophobicContact CD-CE1 3.63Å; K247-F490 HydrophobicContact CD-CZ 4.02Å; K247-F490 HydrophobicContact CG-CD1 4.48Å; K247-F490 HydrophobicContact CG-CE1 3.89Å; L251-F490 HydrophobicContact CB-CB 3.96Å; L251-F490 HydrophobicContact CD1-CB 3.81Å; L251-F490 HydrophobicContact CD1-CD1 3.9Å; L251-F490 HydrophobicContact CD1-CD2 3.85Å; L251-F490 HydrophobicContact CD1-CE1 4.42Å; L251-F490 HydrophobicContact CD1-CE2 4.39Å; L251-F490 HydrophobicContact CD1-CG 3.59Å; R252-F490 WeakPolarHBondContact CG-O 3.47Å; H267-F490 HydrophobicContact CB-CD2 4.28Å; H267-F490 AromaticContact CE1-CE2 3.5Å; H267-F490 VanDerWaalsContact CE1-CE2 3.5Å; H267-F490 WeakPolarHBondContact CE1-CE2 3.47Å; H267-F490 AromaticContact CG-CE2 3.91Å; H267-F490 AromaticContact ND1-CD2 3.89Å; H267-F490 AromaticContact ND1-CE2 3.47Å; H267-F490 WeakPolarHBondContact ND1-CE2 3.37Å; H267-F490 AromaticContact NE2-CE2 3.94Å; M487-F490 HydrophobicContact CE-CB 4.01Å; M487-F490 CarbonylContact O-C 3.44Å; M487-F490 WeakPolarHBondContact O-CA 3.33Å; M487-F490 PolarHBondContact O-N 3.38Å; M487-F490 HydrophobicContact SD-CB 3.79Å; M487-F490 HydrophobicContact SD-CD2 4.31Å; R488-F490 VanDerWaalsContact C-N 3.34Å; F490-G492 PolarHBondContact O-N 2.92Å |
| 491 | V | 97.1 | Very high | 97.5 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 3% | 0.03 | 7% | 0.067 | C | C | . | . | trans | -59.3 | 127.7 | 174 | -160.2 | 0 | 0 | 0 | 0 | 108.8 | I95 M487 Y493 F495 Y498 | I95-V491 VanDerWaalsContact CD1-O 3.24Å; I95-V491 WeakPolarHBondContact CD1-O 3.48Å; M487-V491 HydrophobicContact CB-CG2 3.98Å; M487-V491 WeakPolarHBondContact O-CG2 3.44Å; M487-V491 PolarHBondContact O-N 3.32Å; V491-Y493 WeakPolarHBondContact CG1-O 3.45Å; V491-F495 HydrophobicContact CG2-CD2 3.94Å; V491-Y498 HydrophobicContact CG1-CD2 4Å; V491-Y498 HydrophobicContact CG1-CG 4.1Å | ||
| 492 | G | 97.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 11.4 Ų | 11.4 | 3% | 0.031 | 6% | 0.058 | C | C | . | . | trans | -87.9 | -7.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R252 C256 F490 | R252-G492 WeakPolarHBondContact O-CA 3.37Å; C256-G492 VanDerWaalsContact SG-C 3.51Å; C256-G492 PolarHBondContact SG-O 2.87Å; F490-G492 PolarHBondContact O-N 2.92Å | ||
| 493 | Y | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 11.9 Ų | 11.9 | 2% | 0.02 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -153.4 | 176.8 | -173.8 | 61.1 | -81.8 | 0 | 0 | 0 | 109.5 | D102 T103 G255 R259 V491 F495 H497 Y498 | D102-Y493 WeakPolarHBondContact O-CA 3.44Å; D102-Y493 WeakPolarHBondContact O-CB 3.43Å; T103-Y493 CarbonylContact O-C 3.56Å; G255-Y493 VanDerWaalsContact O-CE1 3.3Å; G255-Y493 WeakPolarHBondContact O-CE1 3.3Å; R259-Y493 HydrophobicContact CB-CE1 4.08Å; R259-Y493 HydrophobicContact CB-CE2 4.32Å; R259-Y493 HydrophobicContact CG-CE2 4.1Å; V491-Y493 WeakPolarHBondContact CG1-O 3.45Å; Y493-F495 PolarHBondContact O-N 2.84Å; Y493-H497 HydrophobicContact CD2-CB 3.99Å; Y493-H497 HydrophobicContact CE2-CB 4.05Å; Y493-Y498 HydrophobicContact CE1-CD2 4.18Å; Y493-Y498 VanDerWaalsContact CE2-CA 3.4Å; Y493-Y498 VanDerWaalsContact CE2-N 3.32Å; Y493-Y498 AromaticContact CZ-CD2 3.89Å; Y493-Y498 WeakPolarHBondContact OH-CA 3.27Å; Y493-Y498 WeakPolarHBondContact OH-CD2 3.43Å |
| 494 | N | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -47.6 | 124.6 | -178.6 | -177.8 | -43 | 0 | 0 | 0 | 112.7 | H101 D102 T103 V104 P105 G496 H497 Y498 D606 | H101-N494 PolarHBondContact CD2-ND2 3.18Å; H101-N494 PolarHBondContact NE2-ND2 3.1Å; H101-N494 WeakPolarHBondContact O-CB 3.39Å; H101-N494 PolarHBondContact O-ND2 2.88Å; D102-N494 PolarHBondContact O-N 3.45Å; T103-N494 WeakPolarHBondContact O-CA 3.44Å; T103-N494 PolarHBondContact O-N 3.23Å; T103-N494 VanDerWaalsContact O-N 3.13Å; V104-N494 PolarHBondContact O-ND2 2.83Å; P105-N494 WeakPolarHBondContact CA-ND2 3.29Å; N494-G496 VanDerWaalsContact C-N 3.34Å; N494-G496 PolarHBondContact O-N 2.97Å; N494-G496 WeakPolarHBondContact OD1-CA 3.41Å; N494-G496 PolarHBondContact OD1-N 2.89Å; N494-H497 HydrophobicContact CB-CB 4.18Å; N494-H497 WeakPolarHBondContact O-CB 3.37Å; N494-H497 PolarHBondContact O-N 3.23Å; N494-H497 VanDerWaalsContact O-N 3.14Å; N494-H497 PolarHBondContact OD1-N 3.37Å; N494-Y498 PolarHBondContact O-N 3.42Å; N494-D606 PolarHBondContact ND2-OD2 2.84Å | ||
| 495 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.4 | -32.8 | -175.6 | 180 | -110.5 | 0 | 0 | 0 | 113.7 | P105 L115 P484 M485 V491 Y493 Y498 L499 L599 V603 | P105-F495 HydrophobicContact CG-CB 4.04Å; L115-F495 HydrophobicContact CB-CB 4.25Å; L115-F495 HydrophobicContact CD1-CB 4.09Å; L115-F495 HydrophobicContact CD1-CD1 3.63Å; L115-F495 HydrophobicContact CD1-CE1 4.41Å; L115-F495 HydrophobicContact CD1-CG 4.06Å; L115-F495 HydrophobicContact CD2-CD1 4.3Å; L115-F495 HydrophobicContact CD2-CG 4.28Å; P484-F495 HydrophobicContact CB-CE1 4Å; P484-F495 HydrophobicContact CB-CE2 3.85Å; P484-F495 HydrophobicContact CB-CZ 3.32Å; P484-F495 HydrophobicContact CG-CE1 4.1Å; P484-F495 HydrophobicContact CG-CE2 4.1Å; P484-F495 HydrophobicContact CG-CZ 3.75Å; M485-F495 HydrophobicContact CG-CE2 4.4Å; V491-F495 HydrophobicContact CG2-CD2 3.94Å; Y493-F495 PolarHBondContact O-N 2.84Å; F495-Y498 AromaticContact CD2-CD1 3.88Å; F495-Y498 HydrophobicContact CD2-CD1 3.88Å; F495-Y498 HydrophobicContact CD2-CG 4.37Å; F495-Y498 AromaticContact CE2-CD1 3.75Å; F495-Y498 HydrophobicContact CE2-CD1 3.75Å; F495-Y498 HydrophobicContact CE2-CE1 4.1Å; F495-Y498 WeakPolarHBondContact O-CB 3.29Å; F495-Y498 PolarHBondContact O-N 3.13Å; F495-L499 HydrophobicContact CD1-CD1 4.19Å; F495-L499 HydrophobicContact CD1-CG 4.43Å; F495-L499 HydrophobicContact CE1-CD1 3.58Å; F495-L499 HydrophobicContact CE1-CD2 4.27Å; F495-L499 HydrophobicContact CE1-CG 3.92Å; F495-L499 HydrophobicContact CE2-CD2 4.11Å; F495-L499 HydrophobicContact CE2-CG 4.2Å; F495-L499 HydrophobicContact CZ-CD1 3.87Å; F495-L499 HydrophobicContact CZ-CD2 3.66Å; F495-L499 HydrophobicContact CZ-CG 3.75Å; F495-L499 WeakPolarHBondContact O-CG 3.34Å; F495-L499 PolarHBondContact O-N 3.46Å; F495-L599 HydrophobicContact CE1-CD2 4.45Å; F495-V603 HydrophobicContact CD1-CG2 3.83Å; F495-V603 HydrophobicContact CE1-CG2 4.25Å |
| 496 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | N494 Y498 L499 N500 D606 | N494-G496 VanDerWaalsContact C-N 3.34Å; N494-G496 PolarHBondContact O-N 2.97Å; N494-G496 WeakPolarHBondContact OD1-CA 3.41Å; N494-G496 PolarHBondContact OD1-N 2.89Å; G496-Y498 VanDerWaalsContact C-N 3.28Å; G496-Y498 PolarHBondContact O-N 2.62Å; G496-L499 PolarHBondContact O-N 2.93Å; G496-N500 PolarHBondContact O-N 3.44Å; G496-N500 PolarHBondContact O-ND2 3.49Å; G496-D606 WeakPolarHBondContact CA-O 3.33Å |
| 497 | H | 98.2 | Very high | 97.8 | Very high | 63 Ų | 63 | 22.9 Ų | 22.9 | 29% | 0.292 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -64 | -34.9 | 171.7 | -61.2 | 166.3 | 0 | 0 | 0 | 111.9 | H101 Y493 N494 N500 H501 | H101-H497 AromaticContact CE1-CE1 3.84Å; H101-H497 AromaticContact CE1-NE2 3.87Å; Y493-H497 HydrophobicContact CD2-CB 3.99Å; Y493-H497 HydrophobicContact CE2-CB 4.05Å; N494-H497 HydrophobicContact CB-CB 4.18Å; N494-H497 WeakPolarHBondContact O-CB 3.37Å; N494-H497 PolarHBondContact O-N 3.23Å; N494-H497 VanDerWaalsContact O-N 3.14Å; N494-H497 PolarHBondContact OD1-N 3.37Å; H497-N500 PolarHBondContact O-N 3.04Å; H497-H501 PolarHBondContact O-N 3.46Å |
| 498 | Y | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 175 | 168.8 | -78.3 | 0 | 0 | 0 | 111.8 | E266 M485 M487 V491 Y493 N494 F495 G496 H501 W502 | E266-Y498 PolarHBondContact OE1-OH 3.42Å; E266-Y498 PolarHBondContact OE2-OH 2.65Å; M485-Y498 HydrophobicContact CB-CE1 4.18Å; M485-Y498 HydrophobicContact CE-CE1 3.8Å; M485-Y498 WeakPolarHBondContact CE-OH 3.43Å; M485-Y498 HydrophobicContact CG-CE1 3.81Å; M487-Y498 HydrophobicContact CE-CE2 4.41Å; V491-Y498 HydrophobicContact CG1-CD2 4Å; V491-Y498 HydrophobicContact CG1-CG 4.1Å; Y493-Y498 HydrophobicContact CE1-CD2 4.18Å; Y493-Y498 VanDerWaalsContact CE2-CA 3.4Å; Y493-Y498 VanDerWaalsContact CE2-N 3.32Å; Y493-Y498 AromaticContact CZ-CD2 3.89Å; Y493-Y498 WeakPolarHBondContact OH-CA 3.27Å; Y493-Y498 WeakPolarHBondContact OH-CD2 3.43Å; N494-Y498 PolarHBondContact O-N 3.42Å; F495-Y498 AromaticContact CD2-CD1 3.88Å; F495-Y498 HydrophobicContact CD2-CD1 3.88Å; F495-Y498 HydrophobicContact CD2-CG 4.37Å; F495-Y498 AromaticContact CE2-CD1 3.75Å; F495-Y498 HydrophobicContact CE2-CD1 3.75Å; F495-Y498 HydrophobicContact CE2-CE1 4.1Å; F495-Y498 WeakPolarHBondContact O-CB 3.29Å; F495-Y498 PolarHBondContact O-N 3.13Å; G496-Y498 VanDerWaalsContact C-N 3.28Å; G496-Y498 PolarHBondContact O-N 2.62Å; Y498-H501 WeakPolarHBondContact O-CB 3.37Å; Y498-H501 PolarHBondContact O-N 3.45Å; Y498-W502 AromaticContact CE1-CD1 3.45Å; Y498-W502 VanDerWaalsContact CE1-CD1 3.45Å; Y498-W502 HydrophobicContact CE1-CG 4.43Å; Y498-W502 AromaticContact CE1-NE1 3.65Å; Y498-W502 AromaticContact CE2-NE1 3.8Å; Y498-W502 AromaticContact CZ-CD1 3.45Å; Y498-W502 VanDerWaalsContact CZ-CD1 3.45Å; Y498-W502 AromaticContact CZ-NE1 3.19Å; Y498-W502 PolarHBondContact O-N 3.02Å; Y498-W502 PolarHBondContact OH-NE1 2.9Å |
| 499 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 174.3 | -68.1 | 178 | 0 | 0 | 0 | 111.5 | V459 A463 F495 G496 H501 W502 L503 L607 P608 I611 | V459-L499 HydrophobicContact CG1-CD2 4.07Å; A463-L499 HydrophobicContact CB-CD1 4.11Å; A463-L499 HydrophobicContact CB-CD2 3.79Å; F495-L499 HydrophobicContact CD1-CD1 4.19Å; F495-L499 HydrophobicContact CD1-CG 4.43Å; F495-L499 HydrophobicContact CE1-CD1 3.58Å; F495-L499 HydrophobicContact CE1-CD2 4.27Å; F495-L499 HydrophobicContact CE1-CG 3.92Å; F495-L499 HydrophobicContact CE2-CD2 4.11Å; F495-L499 HydrophobicContact CE2-CG 4.2Å; F495-L499 HydrophobicContact CZ-CD1 3.87Å; F495-L499 HydrophobicContact CZ-CD2 3.66Å; F495-L499 HydrophobicContact CZ-CG 3.75Å; F495-L499 WeakPolarHBondContact O-CG 3.34Å; F495-L499 PolarHBondContact O-N 3.46Å; G496-L499 PolarHBondContact O-N 2.93Å; L499-H501 VanDerWaalsContact C-N 3.27Å; L499-H501 PolarHBondContact O-N 3.4Å; L499-W502 PolarHBondContact O-N 2.67Å; L499-L503 VanDerWaalsContact O-CG 3.31Å; L499-L503 WeakPolarHBondContact O-CG 3.17Å; L499-L503 PolarHBondContact O-N 3.02Å; L499-L607 HydrophobicContact CD1-CD1 4.38Å; L499-P608 HydrophobicContact CB-CG 3.83Å; L499-I611 HydrophobicContact CD1-CG1 4.43Å |
| 500 | N | 98.5 | Very high | 97.9 | Very high | 75 Ų | 75 | 33.6 Ų | 33.6 | 40% | 0.401 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.1 | -38.5 | 173.1 | -81.5 | -39.3 | 0 | 0 | 0 | 112.4 | G496 H497 L503 S504 P608 | G496-N500 PolarHBondContact O-N 3.44Å; G496-N500 PolarHBondContact O-ND2 3.49Å; H497-N500 PolarHBondContact O-N 3.04Å; N500-L503 PolarHBondContact O-N 2.98Å; N500-S504 WeakPolarHBondContact O-CB 3.43Å; N500-S504 PolarHBondContact O-N 2.99Å; N500-P608 WeakPolarHBondContact OD1-CB 3.24Å; N500-P608 VanDerWaalsContact OD1-CG 3.28Å; N500-P608 WeakPolarHBondContact OD1-CG 3.23Å |
| 501 | H | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 40 Ų | 40 | 9% | 0.088 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 175.7 | -174.7 | 45.3 | 0 | 0 | 0 | 111.7 | A258 W263 H497 Y498 L499 L503 S504 M505 | A258-H501 PolarHBondContact O-NE2 3.34Å; W263-H501 PolarHBondContact O-NE2 2.64Å; H497-H501 PolarHBondContact O-N 3.46Å; Y498-H501 WeakPolarHBondContact O-CB 3.37Å; Y498-H501 PolarHBondContact O-N 3.45Å; L499-H501 VanDerWaalsContact C-N 3.27Å; L499-H501 PolarHBondContact O-N 3.4Å; H501-L503 PolarHBondContact O-N 3.46Å; H501-S504 WeakPolarHBondContact O-CB 3.35Å; H501-S504 PolarHBondContact O-N 3.33Å; H501-S504 PolarHBondContact O-OG 3.47Å; H501-M505 WeakPolarHBondContact CE1-CE 3.27Å; H501-M505 WeakPolarHBondContact NE2-CE 3.14Å; H501-M505 PolarHBondContact O-N 2.99Å |
| 502 | W | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 173 | -93.8 | 83.9 | 0 | 0 | 0 | 112.9 | L264 E266 M268 I436 F438 W455 V459 M485 Y498 L499 S504 M505 | L264-W502 HydrophobicContact CD1-CD2 4.39Å; L264-W502 HydrophobicContact CD1-CH2 4.17Å; L264-W502 HydrophobicContact CD1-CZ2 4.02Å; L264-W502 HydrophobicContact CD1-CZ3 4.42Å; L264-W502 HydrophobicContact CD2-CD2 4.35Å; L264-W502 HydrophobicContact CD2-CG 4.37Å; E266-W502 VanDerWaalsContact CD-CZ2 3.5Å; E266-W502 HydrophobicContact CG-CZ2 3.87Å; E266-W502 PolarHBondContact OE1-NE1 3.45Å; M268-W502 HydrophobicContact CE-CH2 3.82Å; M268-W502 HydrophobicContact CE-CZ2 4Å; I436-W502 HydrophobicContact CD1-CH2 3.98Å; I436-W502 HydrophobicContact CD1-CZ3 4.06Å; F438-W502 HydrophobicContact CZ-CH2 4.37Å; W455-W502 HydrophobicContact CH2-CE3 4.1Å; W455-W502 AromaticContact CH2-CZ3 3.83Å; W455-W502 HydrophobicContact CH2-CZ3 3.83Å; W455-W502 AromaticContact CZ2-CE3 3.68Å; W455-W502 HydrophobicContact CZ2-CE3 3.68Å; W455-W502 AromaticContact CZ2-CZ3 3.91Å; W455-W502 HydrophobicContact CZ2-CZ3 3.91Å; W455-W502 PolarHBondContact NE1-O 2.82Å; V459-W502 HydrophobicContact CG1-CB 4.03Å; V459-W502 HydrophobicContact CG2-CB 4.12Å; V459-W502 HydrophobicContact CG2-CE3 4.21Å; M485-W502 HydrophobicContact CE-CD2 3.3Å; M485-W502 HydrophobicContact CE-CE3 3.85Å; M485-W502 HydrophobicContact CE-CG 3.67Å; M485-W502 HydrophobicContact CE-CH2 4Å; M485-W502 HydrophobicContact CE-CZ2 3.46Å; M485-W502 VanDerWaalsContact CE-CZ2 3.46Å; M485-W502 HydrophobicContact CE-CZ3 4.17Å; Y498-W502 AromaticContact CE1-CD1 3.45Å; Y498-W502 VanDerWaalsContact CE1-CD1 3.45Å; Y498-W502 HydrophobicContact CE1-CG 4.43Å; Y498-W502 AromaticContact CE1-NE1 3.65Å; Y498-W502 AromaticContact CE2-NE1 3.8Å; Y498-W502 AromaticContact CZ-CD1 3.45Å; Y498-W502 VanDerWaalsContact CZ-CD1 3.45Å; Y498-W502 AromaticContact CZ-NE1 3.19Å; Y498-W502 PolarHBondContact O-N 3.02Å; Y498-W502 PolarHBondContact OH-NE1 2.9Å; L499-W502 PolarHBondContact O-N 2.67Å; W502-S504 VanDerWaalsContact C-N 3.29Å; W502-S504 PolarHBondContact O-N 3.44Å; W502-M505 WeakPolarHBondContact O-CB 3.29Å; W502-M505 PolarHBondContact O-N 3.44Å |
| 503 | L | 98.6 | Very high | 98 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 12% | 0.12 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -35.8 | 175.7 | -69.9 | 168.6 | 0 | 0 | 0 | 111.9 | K456 V459 L499 N500 H501 M505 D506 P608 V610 I611 | K456-L503 HydrophobicContact CB-CD2 4.41Å; K456-L503 HydrophobicContact CG-CD2 4.17Å; V459-L503 HydrophobicContact CB-CD2 4.06Å; V459-L503 HydrophobicContact CG1-CD2 4.19Å; V459-L503 HydrophobicContact CG1-CG 4.2Å; V459-L503 HydrophobicContact CG2-CD2 4.19Å; L499-L503 VanDerWaalsContact O-CG 3.31Å; L499-L503 WeakPolarHBondContact O-CG 3.17Å; L499-L503 PolarHBondContact O-N 3.02Å; N500-L503 PolarHBondContact O-N 2.98Å; H501-L503 PolarHBondContact O-N 3.46Å; L503-M505 PolarHBondContact O-N 3.24Å; L503-M505 VanDerWaalsContact O-N 3.15Å; L503-D506 WeakPolarHBondContact O-CB 3.45Å; L503-D506 PolarHBondContact O-N 2.71Å; L503-D506 VanDerWaalsContact O-N 3.13Å; L503-P608 HydrophobicContact CD1-CB 3.76Å; L503-P608 HydrophobicContact CD1-CG 4.09Å; L503-V610 HydrophobicContact CD1-CB 4.06Å; L503-V610 HydrophobicContact CD1-CG1 4.39Å; L503-V610 HydrophobicContact CD2-CG1 3.96Å; L503-I611 HydrophobicContact CD1-CD1 4.24Å; L503-I611 HydrophobicContact CD1-CG1 4.2Å; L503-I611 HydrophobicContact CD2-CD1 4.26Å |
| 504 | S | 98.2 | Very high | 98 | Very high | 57 Ų | 57 | 46.3 Ų | 46.3 | 40% | 0.399 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -12.6 | 179.2 | 84.5 | 0 | 0 | 0 | 0 | 114.2 | N500 H501 W502 D506 K507 | N500-S504 WeakPolarHBondContact O-CB 3.43Å; N500-S504 PolarHBondContact O-N 2.99Å; H501-S504 WeakPolarHBondContact O-CB 3.35Å; H501-S504 PolarHBondContact O-N 3.33Å; H501-S504 PolarHBondContact O-OG 3.47Å; W502-S504 VanDerWaalsContact C-N 3.29Å; W502-S504 PolarHBondContact O-N 3.44Å; S504-D506 PolarHBondContact O-N 2.92Å; S504-K507 VanDerWaalsContact O-CE 3.25Å; S504-K507 WeakPolarHBondContact O-CE 3.38Å |
| 505 | M | 98 | Very high | 98.1 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -17 | 173.8 | -62.3 | -60.6 | 166 | 0 | 0 | 112.6 | L264 F320 W455 H501 W502 L503 K507 H510 L512 | L264-M505 HydrophobicContact CD1-CG 4.47Å; L264-M505 HydrophobicContact CD2-CE 3.75Å; L264-M505 HydrophobicContact CG-CE 3.98Å; F320-M505 HydrophobicContact CD2-SD 4.16Å; F320-M505 HydrophobicContact CE2-CB 4.03Å; F320-M505 HydrophobicContact CE2-CG 4.31Å; F320-M505 HydrophobicContact CE2-SD 3.99Å; W455-M505 HydrophobicContact CZ2-CB 3.89Å; H501-M505 WeakPolarHBondContact CE1-CE 3.27Å; H501-M505 WeakPolarHBondContact NE2-CE 3.14Å; H501-M505 PolarHBondContact O-N 2.99Å; W502-M505 WeakPolarHBondContact O-CB 3.29Å; W502-M505 PolarHBondContact O-N 3.44Å; L503-M505 PolarHBondContact O-N 3.24Å; L503-M505 VanDerWaalsContact O-N 3.15Å; M505-K507 VanDerWaalsContact C-N 3.3Å; M505-K507 PolarHBondContact O-N 2.98Å; M505-H510 PolarHBondContact O-ND1 3.23Å; M505-L512 WeakPolarHBondContact O-CD2 3.27Å |
| 506 | D | 97.5 | Very high | 98.1 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | trans | -73.3 | 81.4 | 175.7 | -170.8 | 7.5 | 0 | 0 | 0 | 110.9 | W455 L503 S504 L512 | W455-D506 HydrophobicContact CG-CB 4.37Å; L503-D506 WeakPolarHBondContact O-CB 3.45Å; L503-D506 PolarHBondContact O-N 2.71Å; L503-D506 VanDerWaalsContact O-N 3.13Å; S504-D506 PolarHBondContact O-N 2.92Å; D506-L512 HydrophobicContact CB-CD1 4.28Å | ||
| 507 | K | 96.8 | Very high | 98.1 | Very high | 104 Ų | 104 | 47 Ų | 47 | 45% | 0.452 | 25% | 0.25 | S | C | . | . | trans | -116.2 | 143.7 | 178.2 | -59.9 | -174.5 | -174.3 | 173.1 | 0 | 110 | S504 M505 S509 H510 | S504-K507 VanDerWaalsContact O-CE 3.25Å; S504-K507 WeakPolarHBondContact O-CE 3.38Å; M505-K507 VanDerWaalsContact C-N 3.3Å; M505-K507 PolarHBondContact O-N 2.98Å; K507-S509 PolarHBondContact O-N 2.7Å; K507-H510 WeakPolarHBondContact O-CB 3.37Å; K507-H510 PolarHBondContact O-N 3.42Å | ||
| 508 | P | 95.9 | Very high | 98.1 | Very high | 144 Ų | 144 | 44 Ų | 44 | 94% | 0.935 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.3 | 179.8 | -28 | 35.1 | 0 | 0 | 0 | 115.1 | H510 | P508-H510 VanDerWaalsContact C-N 3.31Š|
| 509 | S | 96.3 | Very high | 98.1 | Very high | 82 Ų | 82 | 44 Ų | 44 | 57% | 0.573 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -13.3 | 177.6 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | G324 K507 | G324-S509 VanDerWaalsContact CA-O 3.28Å; G324-S509 WeakPolarHBondContact CA-O 3.4Å; K507-S509 PolarHBondContact O-N 2.7Å |
| 510 | H | 98 | Very high | 98.1 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 17% | 0.171 | 24% | 0.239 | C | C | . | . | trans | -91.7 | 133.8 | -175.3 | -66.5 | 177.4 | 0 | 0 | 0 | 111.6 | F320 M505 K507 P508 L512 | F320-H510 HydrophobicContact CD1-CB 3.9Å; F320-H510 AromaticContact CD1-CD2 3.98Å; F320-H510 AromaticContact CD1-CG 3.73Å; F320-H510 AromaticContact CD2-CE1 3.44Å; F320-H510 VanDerWaalsContact CD2-CE1 3.44Å; F320-H510 WeakPolarHBondContact CD2-CE1 3.29Å; F320-H510 AromaticContact CD2-CG 3.98Å; F320-H510 AromaticContact CD2-ND1 3.46Å; F320-H510 WeakPolarHBondContact CD2-ND1 3.29Å; F320-H510 AromaticContact CD2-NE2 3.98Å; F320-H510 HydrophobicContact CE1-CB 3.7Å; F320-H510 AromaticContact CE1-CG 3.9Å; F320-H510 AromaticContact CE2-CE1 3.95Å; F320-H510 AromaticContact CE2-ND1 3.54Å; F320-H510 HydrophobicContact CG-CB 4.43Å; F320-H510 AromaticContact CG-CD2 3.78Å; F320-H510 AromaticContact CG-CE1 3.72Å; F320-H510 AromaticContact CG-CG 3.76Å; F320-H510 AromaticContact CG-ND1 3.72Å; F320-H510 AromaticContact CG-NE2 3.8Å; F320-H510 HydrophobicContact CZ-CB 4.09Å; F320-H510 AromaticContact CZ-ND1 3.87Å; M505-H510 PolarHBondContact O-ND1 3.23Å; K507-H510 WeakPolarHBondContact O-CB 3.37Å; K507-H510 PolarHBondContact O-N 3.42Å; P508-H510 VanDerWaalsContact C-N 3.31Å; H510-L512 HydrophobicContact CB-CD2 3.98Å; H510-L512 HydrophobicContact CB-CG 4.44Å; H510-L512 PolarHBondContact O-N 2.76Å | ||
| 511 | K | 97.7 | Very high | 98 | Very high | 137 Ų | 137 | 42.5 Ų | 42.5 | 60% | 0.596 | 23% | 0.226 | S | C | * | . | B | Isolated β-bridge | trans | -88.8 | 84 | 167.4 | -61.7 | 175.7 | -174.4 | 169.5 | 0 | 107.5 | G324 V325 | G324-K511 WeakPolarHBondContact O-CB 3.4Å; G324-K511 PolarHBondContact O-N 2.85Å; V325-K511 HydrophobicContact CG2-CD 3.98Å |
| 512 | L | 98.2 | Very high | 97.9 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -62.8 | 132.2 | -177.4 | -60.4 | 176.4 | 0 | 0 | 0 | 110.6 | F320 W455 M505 D506 H510 | F320-L512 HydrophobicContact CE1-CD2 4.29Å; F320-L512 HydrophobicContact CZ-CD2 3.72Å; W455-L512 HydrophobicContact CB-CD1 3.77Å; W455-L512 HydrophobicContact CD2-CD1 3.91Å; W455-L512 HydrophobicContact CD2-CD2 4.11Å; W455-L512 HydrophobicContact CD2-CG 4.41Å; W455-L512 HydrophobicContact CE3-CB 3.84Å; W455-L512 HydrophobicContact CE3-CD1 4.05Å; W455-L512 HydrophobicContact CE3-CD2 4.04Å; W455-L512 HydrophobicContact CE3-CG 4.2Å; W455-L512 HydrophobicContact CG-CD1 3.81Å; W455-L512 HydrophobicContact CH2-CD2 4.38Å; W455-L512 HydrophobicContact CZ2-CD2 4.44Å; W455-L512 HydrophobicContact CZ3-CB 4.17Å; W455-L512 HydrophobicContact CZ3-CD2 4.18Å; M505-L512 WeakPolarHBondContact O-CD2 3.27Å; D506-L512 HydrophobicContact CB-CD1 4.28Å; H510-L512 HydrophobicContact CB-CD2 3.98Å; H510-L512 HydrophobicContact CB-CG 4.44Å; H510-L512 PolarHBondContact O-N 2.76Å |
| 513 | P | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 5% | 0.045 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 148.7 | 170.6 | 28.7 | -33.7 | 0 | 0 | 0 | 110.1 | L326 I433 I436 W455 | L326-P513 HydrophobicContact CD2-CG 3.9Å; I433-P513 HydrophobicContact CG2-CB 4.12Å; I433-P513 HydrophobicContact CG2-CG 4.37Å; I436-P513 HydrophobicContact CD1-CG 3.59Å; I436-P513 HydrophobicContact CG1-CB 4.24Å; I436-P513 HydrophobicContact CG1-CG 3.79Å; W455-P513 HydrophobicContact CH2-CG 4.48Å; W455-P513 HydrophobicContact CZ3-CG 3.98Å |
| 514 | F | 98.5 | Very high | 97.6 | Very high | 89 Ų | 89 | 46 Ų | 46 | 39% | 0.39 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 139.6 | 171.9 | -68.6 | -79.2 | 0 | 0 | 0 | 110.2 | S434 A435 I436 Y516 V548 | S434-F514 PolarHBondContact O-N 3Å; A435-F514 CarbonylContact C-O 3.56Å; A435-F514 VanDerWaalsContact CA-O 3.28Å; A435-F514 WeakPolarHBondContact CA-O 3.49Å; I436-F514 PolarHBondContact N-O 2.92Å; F514-Y516 HydrophobicContact CB-CD2 4.41Å; F514-Y516 HydrophobicContact CB-CE2 3.49Å; F514-Y516 VanDerWaalsContact CB-CE2 3.49Å; F514-V548 HydrophobicContact CD2-CB 4.32Å; F514-V548 HydrophobicContact CD2-CG2 3.94Å |
| 515 | I | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.3 | 178.5 | -62.9 | 171.2 | 0 | 0 | 0 | 109.5 | I436 F438 S452 W455 | I436-I515 HydrophobicContact CB-CG1 4.3Å; I436-I515 CarbonylContact O-C 3.6Å; I436-I515 WeakPolarHBondContact O-CA 3.49Å; F438-I515 HydrophobicContact CD2-CG2 3.79Å; F438-I515 HydrophobicContact CE2-CG2 3.88Å; S452-I515 PolarHBondContact N-O 3.49Å; S452-I515 PolarHBondContact OG-O 2.61Å; W455-I515 HydrophobicContact CD2-CD1 4.11Å; W455-I515 HydrophobicContact CE3-CD1 3.59Å; W455-I515 HydrophobicContact CE3-CG1 4.23Å; W455-I515 HydrophobicContact CH2-CD1 4.31Å; W455-I515 HydrophobicContact CZ3-CD1 3.7Å; W455-I515 HydrophobicContact CZ3-CG1 4.12Å |
| 516 | Y | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 157.2 | 177.4 | -59.4 | -95.6 | 0 | 0 | 0 | 110.2 | A435 I436 I437 F438 L450 Q451 F514 W543 I544 R547 V548 | A435-Y516 HydrophobicContact CB-CD2 4.05Å; A435-Y516 HydrophobicContact CB-CE2 3.81Å; I436-Y516 PolarHBondContact O-N 2.85Å; I437-Y516 CarbonylContact C-O 3.43Å; I437-Y516 WeakPolarHBondContact CA-O 3.38Å; F438-Y516 PolarHBondContact N-O 3.2Å; L450-Y516 CarbonylContact O-C 3.41Å; L450-Y516 VanDerWaalsContact O-CA 3.24Å; L450-Y516 WeakPolarHBondContact O-CA 3.42Å; L450-Y516 WeakPolarHBondContact O-CB 3.27Å; Q451-Y516 HydrophobicContact CB-CD1 3.6Å; Q451-Y516 HydrophobicContact CB-CE1 3.51Å; Q451-Y516 HydrophobicContact CG-CD1 3.95Å; Q451-Y516 HydrophobicContact CG-CE1 3.55Å; F514-Y516 HydrophobicContact CB-CD2 4.41Å; F514-Y516 HydrophobicContact CB-CE2 3.49Å; F514-Y516 VanDerWaalsContact CB-CE2 3.49Å; Y516-W543 AromaticContact CD1-CZ3 3.89Å; Y516-W543 HydrophobicContact CD1-CZ3 3.89Å; Y516-W543 HydrophobicContact CE1-CE3 4.41Å; Y516-W543 HydrophobicContact CE1-CH2 4.43Å; Y516-W543 AromaticContact CE1-CZ3 3.71Å; Y516-W543 HydrophobicContact CE1-CZ3 3.71Å; Y516-I544 HydrophobicContact CD1-CD1 4.18Å; Y516-I544 HydrophobicContact CD1-CG1 3.76Å; Y516-I544 HydrophobicContact CD2-CD1 4.41Å; Y516-I544 HydrophobicContact CD2-CG1 4.41Å; Y516-I544 HydrophobicContact CD2-CG2 3.94Å; Y516-I544 HydrophobicContact CE1-CB 4.32Å; Y516-I544 HydrophobicContact CE1-CG1 3.9Å; Y516-I544 HydrophobicContact CE1-CG2 4.25Å; Y516-I544 HydrophobicContact CE2-CG2 3.62Å; Y516-I544 HydrophobicContact CG-CD1 4Å; Y516-I544 HydrophobicContact CG-CG1 4.03Å; Y516-I544 HydrophobicContact CG-CG2 4.41Å; Y516-I544 PolarHBondContact OH-O 3.42Å; Y516-R547 HydrophobicContact CE1-CB 4.35Å; Y516-R547 VanDerWaalsContact OH-CB 3.3Å; Y516-R547 WeakPolarHBondContact OH-CB 3.36Å; Y516-V548 HydrophobicContact CE2-CG2 4.43Å |
| 517 | H | 98.8 | Very high | 96.8 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 7% | 0.065 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 131.1 | 167.3 | -173.9 | -69.3 | 0 | 0 | 0 | 109.2 | F438 V449 L450 | F438-H517 CarbonylContact O-C 3.54Å; F438-H517 VanDerWaalsContact O-CA 3.26Å; F438-H517 WeakPolarHBondContact O-CA 3.43Å; V449-H517 CarbonylContact C-O 3.48Å; V449-H517 WeakPolarHBondContact CA-O 3.44Å; L450-H517 HydrophobicContact CD1-CB 3.94Å; L450-H517 HydrophobicContact CD2-CB 4.47Å; L450-H517 HydrophobicContact CG-CB 3.98Å; L450-H517 PolarHBondContact N-O 3.21Å; L450-H517 PolarHBondContact O-N 3.13Å |
| 518 | V | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 153.6 | -179.7 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | F287 I437 F438 G439 L448 V449 W520 V540 | F287-V518 HydrophobicContact CE1-CG2 3.64Å; F287-V518 HydrophobicContact CZ-CG2 3.83Å; I437-V518 HydrophobicContact CG2-CB 4.2Å; I437-V518 HydrophobicContact CG2-CG1 3.63Å; I437-V518 HydrophobicContact CG2-CG2 3.59Å; F438-V518 PolarHBondContact O-N 3.01Å; G439-V518 VanDerWaalsContact CA-O 3.25Å; G439-V518 WeakPolarHBondContact CA-O 3.44Å; L448-V518 CarbonylContact O-C 3.25Å; L448-V518 VanDerWaalsContact O-CA 3.28Å; L448-V518 WeakPolarHBondContact O-CA 3.3Å; V449-V518 HydrophobicContact CB-CG1 4.19Å; V449-V518 HydrophobicContact CG2-CG1 3.9Å; V518-W520 HydrophobicContact CB-CD2 4.44Å; V518-W520 HydrophobicContact CB-CH2 3.73Å; V518-W520 HydrophobicContact CB-CZ2 3.62Å; V518-W520 HydrophobicContact CB-CZ3 4.18Å; V518-W520 HydrophobicContact CG1-CH2 3.67Å; V518-W520 HydrophobicContact CG1-CZ2 3.83Å; V518-W520 HydrophobicContact CG1-CZ3 4.38Å; V518-W520 HydrophobicContact CG2-CD2 4.38Å; V518-W520 HydrophobicContact CG2-CH2 4.09Å; V518-W520 HydrophobicContact CG2-CZ2 3.43Å; V518-W520 VanDerWaalsContact CG2-CZ2 3.43Å; V518-V540 HydrophobicContact CG1-CG1 4.32Å |
| 519 | N | 98.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.011 | 29% | 0.291 | C | S | . | . | trans | -138.4 | 102.7 | 171.7 | -179.6 | 20.1 | 0 | 0 | 0 | 110.9 | G440 R442 I446 P447 L448 F521 | G440-N519 PolarHBondContact O-OD1 2.89Å; R442-N519 PolarHBondContact N-OD1 2.92Å; R442-N519 PolarHBondContact O-ND2 3.23Å; R442-N519 PolarHBondContact O-OD1 3.39Å; I446-N519 HydrophobicContact CB-CB 4.43Å; I446-N519 HydrophobicContact CG2-CB 4.02Å; I446-N519 PolarHBondContact O-ND2 2.91Å; P447-N519 WeakPolarHBondContact O-CB 3.45Å; L448-N519 PolarHBondContact O-N 3.44Å; N519-F521 VanDerWaalsContact C-N 3.27Å; N519-F521 PolarHBondContact O-N 3.42Å; N519-F521 PolarHBondContact OD1-N 2.71Å | ||
| 520 | W | 97.8 | Very high | 96.7 | Very high | 18 Ų | 18 | 56.4 Ų | 56.4 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -80.6 | -7.8 | 176.8 | -44.4 | 128.3 | 0 | 0 | 0 | 113.6 | L448 V518 W531 N537 V540 | L448-W520 HydrophobicContact CD1-CE3 3.62Å; L448-W520 HydrophobicContact CD1-CZ3 3.71Å; L448-W520 HydrophobicContact CG-CZ3 4.49Å; V518-W520 HydrophobicContact CB-CD2 4.44Å; V518-W520 HydrophobicContact CB-CH2 3.73Å; V518-W520 HydrophobicContact CB-CZ2 3.62Å; V518-W520 HydrophobicContact CB-CZ3 4.18Å; V518-W520 HydrophobicContact CG1-CH2 3.67Å; V518-W520 HydrophobicContact CG1-CZ2 3.83Å; V518-W520 HydrophobicContact CG1-CZ3 4.38Å; V518-W520 HydrophobicContact CG2-CD2 4.38Å; V518-W520 HydrophobicContact CG2-CH2 4.09Å; V518-W520 HydrophobicContact CG2-CZ2 3.43Å; V518-W520 VanDerWaalsContact CG2-CZ2 3.43Å; W520-W531 AromaticContact CE3-CD1 3.96Å; W520-N537 HydrophobicContact CH2-CB 4.21Å; W520-N537 HydrophobicContact CZ2-CB 4.42Å; W520-N537 HydrophobicContact CZ3-CB 4.38Å; W520-V540 HydrophobicContact CH2-CB 3.96Å; W520-V540 HydrophobicContact CH2-CG1 3.73Å; W520-V540 HydrophobicContact CH2-CG2 4.43Å; W520-V540 HydrophobicContact CZ3-CB 3.99Å; W520-V540 HydrophobicContact CZ3-CG1 3.97Å; W520-V540 HydrophobicContact CZ3-CG2 3.94Å |
| 521 | F | 96.8 | Very high | 96.7 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | trans | -118.6 | 11 | -157.9 | -58.2 | -78.3 | 0 | 0 | 0 | 113.8 | R441 R442 N519 L523 Y529 | R441-F521 HydrophobicContact CB-CB 4.24Å; R441-F521 HydrophobicContact CB-CD2 4.15Å; R441-F521 HydrophobicContact CB-CG 4.15Å; R441-F521 HydrophobicContact CG-CB 4.25Å; R441-F521 HydrophobicContact CG-CD1 3.92Å; R441-F521 HydrophobicContact CG-CD2 3.59Å; R441-F521 HydrophobicContact CG-CE1 4.11Å; R441-F521 HydrophobicContact CG-CE2 3.78Å; R441-F521 HydrophobicContact CG-CG 3.64Å; R441-F521 HydrophobicContact CG-CZ 4.04Å; R441-F521 VanDerWaalsContact CZ-CE1 3.47Å; R441-F521 VanDerWaalsContact NH1-CE1 3.27Å; R442-F521 CarbonylContact O-C 3.19Å; N519-F521 VanDerWaalsContact C-N 3.27Å; N519-F521 PolarHBondContact O-N 3.42Å; N519-F521 PolarHBondContact OD1-N 2.71Å; F521-L523 PolarHBondContact O-N 2.92Å; F521-Y529 HydrophobicContact CB-CE1 4.1Å; F521-Y529 AromaticContact CD1-CE1 3.94Å; F521-Y529 HydrophobicContact CD1-CE1 3.94Å | ||
| 522 | R | 97.2 | Very high | 96.7 | Very high | 22 Ų | 22 | 51.2 Ų | 51.2 | 8% | 0.083 | 25% | 0.25 | C | C | . | . | trans | -60.9 | 135.8 | 174.4 | -174.7 | 172.2 | -173.8 | 168.4 | 0.5 | 110.1 | R442 Y529 V530 E579 S582 | R442-R522 WeakPolarHBondContact O-CA 3.29Å; R442-R522 PolarHBondContact O-N 2.87Å; R522-Y529 WeakPolarHBondContact O-CA 3.2Å; R522-V530 HydrophobicContact CB-CG2 3.65Å; R522-V530 HydrophobicContact CG-CG1 4.36Å; R522-V530 HydrophobicContact CG-CG2 3.91Å; R522-V530 PolarHBondContact O-N 2.86Å; R522-E579 PolarHBondContact NE-O 3.04Å; R522-E579 PolarHBondContact NH1-O 3.27Å; R522-S582 PolarHBondContact NH1-O 3.27Å; R522-S582 PolarHBondContact NH2-O 3.11Å; R522-S582 PolarHBondContact NH2-OG 3.49Å | ||
| 523 | L | 95.9 | Very high | 96.6 | Very high | 56 Ų | 56 | 49.3 Ų | 49.3 | 29% | 0.293 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -108.1 | 148 | 179.4 | -58.3 | 179.2 | 0 | 0 | 0 | 110.2 | P443 F521 K528 Y529 | P443-L523 HydrophobicContact CB-CD1 3.88Å; P443-L523 HydrophobicContact CB-CG 4.03Å; P443-L523 PolarHBondContact O-N 3.22Å; F521-L523 PolarHBondContact O-N 2.92Å; L523-K528 CarbonylContact C-O 3.6Å; L523-K528 VanDerWaalsContact CA-O 3.24Å; L523-K528 WeakPolarHBondContact CA-O 3.34Å; L523-Y529 HydrophobicContact CD2-CD1 3.42Å; L523-Y529 VanDerWaalsContact CD2-CD1 3.42Å; L523-Y529 HydrophobicContact CD2-CE1 3.61Å; L523-Y529 HydrophobicContact CD2-CG 3.97Å |
| 524 | N | 94 | Very high | 96.5 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 20% | 0.198 | 26% | 0.259 | C | S | . | . | trans | -82.6 | 179.5 | 166.4 | 68 | 14.8 | 0 | 0 | 0 | 111.2 | Q526 G527 K528 V530 | N524-Q526 VanDerWaalsContact CG-OE1 3.26Å; N524-Q526 PolarHBondContact ND2-OE1 2.85Å; N524-Q526 PolarHBondContact O-N 3.41Å; N524-Q526 VanDerWaalsContact O-N 3.07Å; N524-Q526 WeakPolarHBondContact OD1-CA 3.46Å; N524-Q526 WeakPolarHBondContact OD1-CB 3.44Å; N524-Q526 PolarHBondContact OD1-N 3.46Å; N524-Q526 PolarHBondContact OD1-OE1 2.68Å; N524-G527 PolarHBondContact O-N 2.92Å; N524-G527 PolarHBondContact OD1-N 2.84Å; N524-K528 PolarHBondContact N-O 3.39Å; N524-K528 PolarHBondContact OD1-N 2.82Å; N524-K528 PolarHBondContact OD1-O 3.46Å; N524-V530 HydrophobicContact CB-CG1 4.01Å | ||
| 525 | K | 92 | Very high | 96.4 | Very high | 211 Ų | 211 | 49.9 Ų | 49.9 | 92% | 0.917 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.2 | 179.7 | -64.5 | -177.8 | 180 | 177.8 | 0 | 113.9 | ||
| 526 | Q | 93 | Very high | 96.3 | Very high | 139 Ų | 139 | 52 Ų | 52 | 65% | 0.65 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 4.5 | 176 | -61.9 | 76.1 | 22.6 | 0 | 0 | 112.8 | N524 K528 | N524-Q526 VanDerWaalsContact CG-OE1 3.26Å; N524-Q526 PolarHBondContact ND2-OE1 2.85Å; N524-Q526 PolarHBondContact O-N 3.41Å; N524-Q526 VanDerWaalsContact O-N 3.07Å; N524-Q526 WeakPolarHBondContact OD1-CA 3.46Å; N524-Q526 WeakPolarHBondContact OD1-CB 3.44Å; N524-Q526 PolarHBondContact OD1-N 3.46Å; N524-Q526 PolarHBondContact OD1-OE1 2.68Å; Q526-K528 VanDerWaalsContact C-N 3.31Å; Q526-K528 PolarHBondContact O-N 2.88Å |
| 527 | G | 92.5 | Very high | 96.3 | Very high | 50 Ų | 50 | 52.5 Ų | 52.5 | 52% | 0.515 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 73.8 | 18.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N524 | N524-G527 PolarHBondContact O-N 2.92Å; N524-G527 PolarHBondContact OD1-N 2.84Å |
| 528 | K | 94.7 | Very high | 96.3 | Very high | 146 Ų | 146 | 51.9 Ų | 51.9 | 64% | 0.635 | 26% | 0.258 | S | S | * | . | trans | -96.6 | 146.9 | 174.5 | -62 | -175.6 | 178.2 | -178.3 | 0 | 110.3 | L523 N524 Q526 V530 | L523-K528 CarbonylContact C-O 3.6Å; L523-K528 VanDerWaalsContact CA-O 3.24Å; L523-K528 WeakPolarHBondContact CA-O 3.34Å; N524-K528 PolarHBondContact N-O 3.39Å; N524-K528 PolarHBondContact OD1-N 2.82Å; N524-K528 PolarHBondContact OD1-O 3.46Å; Q526-K528 VanDerWaalsContact C-N 3.31Å; Q526-K528 PolarHBondContact O-N 2.88Å; K528-V530 PolarHBondContact O-N 3.01Å | ||
| 529 | Y | 96.2 | Very high | 96.3 | Very high | 130 Ų | 130 | 52.5 Ų | 52.5 | 51% | 0.51 | 26% | 0.26 | S | S | . | . | B | Isolated β-bridge | trans | -62.2 | 130.8 | 174.2 | -65.1 | -67.7 | 0 | 0 | 0 | 111.1 | F521 R522 L523 | F521-Y529 HydrophobicContact CB-CE1 4.1Å; F521-Y529 AromaticContact CD1-CE1 3.94Å; F521-Y529 HydrophobicContact CD1-CE1 3.94Å; R522-Y529 WeakPolarHBondContact O-CA 3.2Å; L523-Y529 HydrophobicContact CD2-CD1 3.42Å; L523-Y529 VanDerWaalsContact CD2-CD1 3.42Å; L523-Y529 HydrophobicContact CD2-CE1 3.61Å; L523-Y529 HydrophobicContact CD2-CG 3.97Å |
| 530 | V | 96.7 | Very high | 96.3 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -74.8 | -18.9 | 176.3 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | R522 N524 K528 V575 E579 N580 | R522-V530 HydrophobicContact CB-CG2 3.65Å; R522-V530 HydrophobicContact CG-CG1 4.36Å; R522-V530 HydrophobicContact CG-CG2 3.91Å; R522-V530 PolarHBondContact O-N 2.86Å; N524-V530 HydrophobicContact CB-CG1 4.01Å; K528-V530 PolarHBondContact O-N 3.01Å; V530-V575 WeakPolarHBondContact O-CG1 3.42Å; V530-E579 HydrophobicContact CG1-CB 4.33Å; V530-N580 PolarHBondContact O-ND2 3Å |
| 531 | W | 98 | Very high | 96.3 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -122.6 | 131.7 | 178.8 | -174.5 | -112.7 | 0 | 0 | 0 | 110.1 | L448 W520 G533 Q536 N537 R539 V540 F570 L573 V575 | L448-W531 HydrophobicContact CD1-CB 4Å; L448-W531 HydrophobicContact CD1-CD2 3.89Å; L448-W531 HydrophobicContact CD1-CG 3.57Å; L448-W531 HydrophobicContact CD2-CD2 3.79Å; L448-W531 HydrophobicContact CD2-CE3 3.74Å; L448-W531 HydrophobicContact CD2-CG 4.32Å; L448-W531 HydrophobicContact CD2-CH2 4.38Å; L448-W531 HydrophobicContact CD2-CZ2 4.4Å; L448-W531 HydrophobicContact CD2-CZ3 4.06Å; W520-W531 AromaticContact CE3-CD1 3.96Å; W531-G533 VanDerWaalsContact C-N 3.28Å; W531-G533 VanDerWaalsContact CD1-N 3.29Å; W531-G533 PolarHBondContact O-N 2.76Å; W531-Q536 HydrophobicContact CZ2-CB 4.04Å; W531-Q536 WeakPolarHBondContact CZ2-O 3.37Å; W531-N537 PolarHBondContact NE1-OD1 2.96Å; W531-R539 HydrophobicContact CH2-CB 4.27Å; W531-R539 HydrophobicContact CZ2-CB 4.37Å; W531-V540 HydrophobicContact CZ2-CG2 4.17Å; W531-F570 HydrophobicContact CH2-CD1 4.37Å; W531-F570 HydrophobicContact CH2-CE1 4.07Å; W531-F570 HydrophobicContact CZ3-CD1 4.06Å; W531-F570 AromaticContact CZ3-CE1 3.6Å; W531-F570 HydrophobicContact CZ3-CE1 3.6Å; W531-F570 AromaticContact CZ3-CZ 3.94Å; W531-F570 HydrophobicContact CZ3-CZ 3.94Å; W531-L573 HydrophobicContact CH2-CD1 3.69Å; W531-L573 HydrophobicContact CZ3-CD1 3.81Å; W531-V575 HydrophobicContact CE3-CG1 4.37Å; W531-V575 HydrophobicContact CZ3-CG2 4.26Å |
| 532 | P | 96.4 | Very high | 96.4 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | trans | -68.2 | -21.1 | -177.9 | 24.6 | -35.8 | 0 | 0 | 0 | 114.5 | F534 Q536 L573 | P532-F534 WeakPolarHBondContact O-CD2 3.29Å; P532-Q536 HydrophobicContact CB-CG 4.07Å; P532-Q536 HydrophobicContact CG-CB 3.89Å; P532-Q536 HydrophobicContact CG-CG 3.69Å; P532-L573 HydrophobicContact CG-CD1 4.28Å; P532-L573 HydrophobicContact CG-CD2 4.33Å | ||
| 533 | G | 96.3 | Very high | 96.5 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 8% | 0.082 | 25% | 0.254 | C | S | . | . | trans | 70.6 | -158.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | W531 G535 Q536 N537 | W531-G533 VanDerWaalsContact C-N 3.28Å; W531-G533 VanDerWaalsContact CD1-N 3.29Å; W531-G533 PolarHBondContact O-N 2.76Å; G533-G535 PolarHBondContact O-N 2.86Å; G533-Q536 VanDerWaalsContact O-CB 3.25Å; G533-Q536 WeakPolarHBondContact O-CB 3.41Å; G533-Q536 PolarHBondContact O-N 2.65Å; G533-N537 WeakPolarHBondContact CA-OD1 3.14Å | ||
| 534 | F | 95.7 | Very high | 96.6 | Very high | 92 Ų | 92 | 47.9 Ų | 47.9 | 40% | 0.404 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | 49 | -127.8 | 175.9 | -52.4 | -69.7 | 0 | 0 | 0 | 112.6 | L299 T346 P532 Q536 N537 | L299-F534 VanDerWaalsContact CD1-O 3.24Å; L299-F534 WeakPolarHBondContact CD1-O 3.34Å; T346-F534 VanDerWaalsContact CB-CE1 3.4Å; T346-F534 HydrophobicContact CG2-CD1 4.04Å; T346-F534 HydrophobicContact CG2-CD2 4.43Å; T346-F534 HydrophobicContact CG2-CE1 3.51Å; T346-F534 HydrophobicContact CG2-CE2 3.94Å; T346-F534 HydrophobicContact CG2-CG 4.47Å; T346-F534 HydrophobicContact CG2-CZ 3.44Å; T346-F534 VanDerWaalsContact CG2-CZ 3.44Å; T346-F534 WeakPolarHBondContact O-CD1 3.46Å; P532-F534 WeakPolarHBondContact O-CD2 3.29Å; F534-Q536 PolarHBondContact O-N 3.3Å; F534-Q536 VanDerWaalsContact O-N 3.09Å; F534-N537 VanDerWaalsContact O-CB 3.27Å; F534-N537 WeakPolarHBondContact O-CB 3.5Å; F534-N537 PolarHBondContact O-N 2.97Å |
| 535 | G | 97.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 18% | 0.175 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -57.7 | -23.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E300 S302 G533 N537 I538 | E300-G535 WeakPolarHBondContact O-CA 3.42Å; S302-G535 PolarHBondContact N-O 3.03Å; S302-G535 VanDerWaalsContact N-O 3.14Å; S302-G535 PolarHBondContact OG-O 2.97Å; S302-G535 VanDerWaalsContact OG-O 3.13Å; G533-G535 PolarHBondContact O-N 2.86Å; G535-N537 PolarHBondContact O-N 3.13Å; G535-I538 WeakPolarHBondContact O-CG2 3.34Å; G535-I538 PolarHBondContact O-N 3.19Å |
| 536 | Q | 97.8 | Very high | 97.1 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -70.5 | -20.7 | 176.4 | -53.5 | -61.3 | -15.6 | 0 | 0 | 112.7 | S302 W531 P532 G533 F534 I538 R539 L573 | S302-Q536 WeakPolarHBondContact OG-CA 3.28Å; S302-Q536 VanDerWaalsContact OG-CD 3.23Å; S302-Q536 PolarHBondContact OG-OE1 2.76Å; W531-Q536 HydrophobicContact CZ2-CB 4.04Å; W531-Q536 WeakPolarHBondContact CZ2-O 3.37Å; P532-Q536 HydrophobicContact CB-CG 4.07Å; P532-Q536 HydrophobicContact CG-CB 3.89Å; P532-Q536 HydrophobicContact CG-CG 3.69Å; G533-Q536 VanDerWaalsContact O-CB 3.25Å; G533-Q536 WeakPolarHBondContact O-CB 3.41Å; G533-Q536 PolarHBondContact O-N 2.65Å; F534-Q536 PolarHBondContact O-N 3.3Å; F534-Q536 VanDerWaalsContact O-N 3.09Å; Q536-I538 PolarHBondContact O-N 3.39Å; Q536-R539 WeakPolarHBondContact O-CB 3.41Å; Q536-R539 WeakPolarHBondContact O-CG 3.36Å; Q536-R539 PolarHBondContact O-N 2.78Å; Q536-L573 HydrophobicContact CG-CD2 4.2Å |
| 537 | N | 98.4 | Very high | 97.4 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 5% | 0.053 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -59.5 | -19.3 | 176.3 | -68.4 | -11.3 | 0 | 0 | 0 | 112.6 | M296 L299 W520 W531 G533 F534 G535 R539 V540 I541 | M296-N537 HydrophobicContact SD-CB 4.16Å; L299-N537 HydrophobicContact CD1-CB 3.8Å; W520-N537 HydrophobicContact CH2-CB 4.21Å; W520-N537 HydrophobicContact CZ2-CB 4.42Å; W520-N537 HydrophobicContact CZ3-CB 4.38Å; W531-N537 PolarHBondContact NE1-OD1 2.96Å; G533-N537 WeakPolarHBondContact CA-OD1 3.14Å; F534-N537 VanDerWaalsContact O-CB 3.27Å; F534-N537 WeakPolarHBondContact O-CB 3.5Å; F534-N537 PolarHBondContact O-N 2.97Å; G535-N537 PolarHBondContact O-N 3.13Å; N537-R539 PolarHBondContact O-N 2.9Å; N537-R539 VanDerWaalsContact O-N 3.14Å; N537-V540 PolarHBondContact O-N 2.76Å; N537-I541 WeakPolarHBondContact O-CG1 3.12Å; N537-I541 PolarHBondContact O-N 3.02Å |
| 538 | I | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.8 | -30.6 | 172.1 | -164.1 | 67.5 | 0 | 0 | 0 | 112.7 | V273 L299 P301 L303 W306 V308 G535 Q536 V540 I541 D542 | V273-I538 HydrophobicContact CG1-CD1 3.96Å; L299-I538 HydrophobicContact CD2-CB 4.2Å; L299-I538 HydrophobicContact CD2-CD1 4.4Å; P301-I538 HydrophobicContact CB-CB 4.26Å; P301-I538 HydrophobicContact CB-CD1 4.35Å; P301-I538 HydrophobicContact CB-CG1 4.01Å; P301-I538 HydrophobicContact CB-CG2 4.37Å; P301-I538 HydrophobicContact CG-CD1 4.29Å; P301-I538 HydrophobicContact CG-CG1 4.48Å; L303-I538 HydrophobicContact CB-CG2 4.02Å; L303-I538 HydrophobicContact CD1-CG2 4.12Å; L303-I538 HydrophobicContact CG-CG2 3.86Å; W306-I538 HydrophobicContact CB-CD1 4.16Å; W306-I538 HydrophobicContact CB-CG1 3.9Å; W306-I538 HydrophobicContact CD2-CD1 4.02Å; W306-I538 HydrophobicContact CD2-CG1 3.75Å; W306-I538 HydrophobicContact CE3-CD1 3.69Å; W306-I538 HydrophobicContact CE3-CG1 3.95Å; W306-I538 HydrophobicContact CG-CD1 4.24Å; W306-I538 HydrophobicContact CG-CG1 3.73Å; W306-I538 HydrophobicContact CZ3-CD1 4.44Å; V308-I538 HydrophobicContact CG2-CD1 3.99Å; G535-I538 WeakPolarHBondContact O-CG2 3.34Å; G535-I538 PolarHBondContact O-N 3.19Å; Q536-I538 PolarHBondContact O-N 3.39Å; I538-V540 VanDerWaalsContact C-N 3.34Å; I538-V540 PolarHBondContact O-N 2.96Å; I538-I541 HydrophobicContact CD1-CB 4.47Å; I538-I541 PolarHBondContact O-N 3.4Å; I538-D542 PolarHBondContact O-N 3.1Å |
| 539 | R | 98.5 | Very high | 97.7 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 6% | 0.057 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.6 | -36.6 | 177.3 | -64.7 | 159 | -178.6 | -84.2 | 7.5 | 112.2 | L303 W531 Q536 N537 W543 I568 N569 D571 | L303-R539 HydrophobicContact CD1-CG 3.79Å; L303-R539 HydrophobicContact CG-CG 4.17Å; W531-R539 HydrophobicContact CH2-CB 4.27Å; W531-R539 HydrophobicContact CZ2-CB 4.37Å; Q536-R539 WeakPolarHBondContact O-CB 3.41Å; Q536-R539 WeakPolarHBondContact O-CG 3.36Å; Q536-R539 PolarHBondContact O-N 2.78Å; N537-R539 PolarHBondContact O-N 2.9Å; N537-R539 VanDerWaalsContact O-N 3.14Å; R539-W543 PolarHBondContact O-N 3.42Å; R539-I568 HydrophobicContact CB-CG2 3.95Å; R539-N569 WeakPolarHBondContact CD-O 3.4Å; R539-N569 WeakPolarHBondContact CG-O 3.36Å; R539-N569 VanDerWaalsContact NH1-CG 3.26Å; R539-N569 PolarHBondContact NH1-O 3.28Å; R539-N569 PolarHBondContact NH1-OD1 2.95Å; R539-D571 PolarHBondContact NH1-O 2.49Å; R539-D571 VanDerWaalsContact NH1-O 3.13Å; R539-D571 PolarHBondContact NH2-O 3.23Å |
| 540 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -75.6 | -38.3 | 175.3 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | L448 V449 V518 W520 W531 N537 I538 D542 W543 I544 I568 | L448-V540 HydrophobicContact CD1-CG2 4.28Å; L448-V540 HydrophobicContact CD2-CG2 3.65Å; L448-V540 HydrophobicContact CG-CG2 3.86Å; V449-V540 HydrophobicContact CB-CG1 3.67Å; V449-V540 HydrophobicContact CG1-CG1 3.89Å; V449-V540 HydrophobicContact CG2-CG1 3.88Å; V518-V540 HydrophobicContact CG1-CG1 4.32Å; W520-V540 HydrophobicContact CH2-CB 3.96Å; W520-V540 HydrophobicContact CH2-CG1 3.73Å; W520-V540 HydrophobicContact CH2-CG2 4.43Å; W520-V540 HydrophobicContact CZ3-CB 3.99Å; W520-V540 HydrophobicContact CZ3-CG1 3.97Å; W520-V540 HydrophobicContact CZ3-CG2 3.94Å; W531-V540 HydrophobicContact CZ2-CG2 4.17Å; N537-V540 PolarHBondContact O-N 2.76Å; I538-V540 VanDerWaalsContact C-N 3.34Å; I538-V540 PolarHBondContact O-N 2.96Å; V540-D542 VanDerWaalsContact C-N 3.34Å; V540-D542 PolarHBondContact O-N 3.37Å; V540-W543 PolarHBondContact O-N 3.48Å; V540-I544 HydrophobicContact CG1-CD1 4.41Å; V540-I544 WeakPolarHBondContact O-CG1 3.42Å; V540-I544 PolarHBondContact O-N 3.47Å; V540-I568 HydrophobicContact CG2-CD1 4.46Å |
| 541 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 174.1 | -61.3 | -48.2 | 0 | 0 | 0 | 111.8 | V273 I283 M296 I437 N537 I538 W543 I544 L545 | V273-I541 HydrophobicContact CB-CG2 4.34Å; V273-I541 HydrophobicContact CG1-CG2 3.94Å; V273-I541 HydrophobicContact CG2-CG2 3.98Å; I283-I541 HydrophobicContact CD1-CD1 4.32Å; I283-I541 HydrophobicContact CD1-CG2 3.72Å; M296-I541 HydrophobicContact CE-CD1 3.63Å; M296-I541 HydrophobicContact CE-CG1 3.39Å; I437-I541 HydrophobicContact CD1-CD1 3.81Å; N537-I541 WeakPolarHBondContact O-CG1 3.12Å; N537-I541 PolarHBondContact O-N 3.02Å; I538-I541 HydrophobicContact CD1-CB 4.47Å; I538-I541 PolarHBondContact O-N 3.4Å; I541-W543 VanDerWaalsContact C-N 3.31Å; I541-W543 PolarHBondContact O-N 3.14Å; I541-I544 HydrophobicContact CD1-CD1 4.1Å; I541-I544 WeakPolarHBondContact O-CB 3.47Å; I541-I544 PolarHBondContact O-N 3.3Å; I541-I544 VanDerWaalsContact O-N 3.14Å; I541-L545 HydrophobicContact CG2-CD1 4.32Å; I541-L545 HydrophobicContact CG2-CG 4.15Å; I541-L545 WeakPolarHBondContact O-CG 3.17Å; I541-L545 PolarHBondContact O-N 2.96Å |
| 542 | D | 98.4 | Very high | 97.8 | Very high | 28 Ų | 28 | 35.2 Ų | 35.2 | 15% | 0.15 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.3 | -51.2 | 172.3 | 170.9 | 55.7 | 0 | 0 | 0 | 111.2 | W306 I538 V540 I544 L545 R546 | W306-D542 HydrophobicContact CH2-CB 3.63Å; W306-D542 VanDerWaalsContact CH2-OD1 3.3Å; W306-D542 WeakPolarHBondContact CH2-OD1 3.41Å; W306-D542 HydrophobicContact CZ2-CB 3.52Å; W306-D542 WeakPolarHBondContact CZ2-OD1 3.5Å; I538-D542 PolarHBondContact O-N 3.1Å; V540-D542 VanDerWaalsContact C-N 3.34Å; V540-D542 PolarHBondContact O-N 3.37Å; D542-I544 VanDerWaalsContact C-N 3.34Å; D542-I544 PolarHBondContact O-N 3.02Å; D542-L545 PolarHBondContact O-N 3.28Å; D542-R546 WeakPolarHBondContact O-CB 3.48Å; D542-R546 WeakPolarHBondContact O-CG 3.16Å; D542-R546 PolarHBondContact O-N 3.3Å; D542-R546 WeakPolarHBondContact OD1-CD 3.31Å; D542-R546 WeakPolarHBondContact OD2-CD 3.32Å; D542-R546 IonicContact OD2-NH1 2.78Å; D542-R546 PolarHBondContact OD2-NH1 2.98Å |
| 543 | W | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 177.4 | -178 | 91.2 | 0 | 0 | 0 | 112.2 | V449 Q451 Y516 R539 V540 I541 L545 R546 R547 I553 P563 S567 I568 | V449-W543 HydrophobicContact CG1-CE3 4.17Å; V449-W543 HydrophobicContact CG1-CZ3 4.3Å; V449-W543 HydrophobicContact CG2-CE3 4.15Å; V449-W543 HydrophobicContact CG2-CZ3 3.92Å; Q451-W543 HydrophobicContact CB-CH2 4.12Å; Q451-W543 HydrophobicContact CB-CZ3 4.43Å; Y516-W543 AromaticContact CD1-CZ3 3.89Å; Y516-W543 HydrophobicContact CD1-CZ3 3.89Å; Y516-W543 HydrophobicContact CE1-CE3 4.41Å; Y516-W543 HydrophobicContact CE1-CH2 4.43Å; Y516-W543 AromaticContact CE1-CZ3 3.71Å; Y516-W543 HydrophobicContact CE1-CZ3 3.71Å; R539-W543 PolarHBondContact O-N 3.42Å; V540-W543 PolarHBondContact O-N 3.48Å; I541-W543 VanDerWaalsContact C-N 3.31Å; I541-W543 PolarHBondContact O-N 3.14Å; W543-L545 PolarHBondContact O-N 3.31Å; W543-R546 PolarHBondContact O-N 3.1Å; W543-R547 HydrophobicContact CD2-CG 3.98Å; W543-R547 HydrophobicContact CE3-CG 4.13Å; W543-R547 HydrophobicContact CH2-CG 3.91Å; W543-R547 HydrophobicContact CZ2-CG 3.72Å; W543-R547 HydrophobicContact CZ3-CG 4.1Å; W543-R547 WeakPolarHBondContact O-CG 3.44Å; W543-R547 PolarHBondContact O-N 2.87Å; W543-I553 VanDerWaalsContact CD1-CD1 3.47Å; W543-I553 HydrophobicContact CG-CD1 4.12Å; W543-I553 PolarHBondContact NE1-O 2.91Å; W543-I553 VanDerWaalsContact NE1-O 3.08Å; W543-P563 HydrophobicContact CD2-CB 4.39Å; W543-P563 HydrophobicContact CD2-CG 4Å; W543-P563 HydrophobicContact CE3-CG 4.43Å; W543-P563 HydrophobicContact CG-CG 4.46Å; W543-P563 HydrophobicContact CH2-CG 4.28Å; W543-P563 HydrophobicContact CZ2-CB 4.12Å; W543-P563 HydrophobicContact CZ2-CG 3.83Å; W543-S567 PolarHBondContact NE1-OG 3.37Å; W543-I568 HydrophobicContact CB-CD1 4.38Å; W543-I568 HydrophobicContact CB-CG1 3.7Å; W543-I568 HydrophobicContact CG-CD1 4.34Å; W543-I568 HydrophobicContact CG-CG1 3.82Å |
| 544 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.9 | -48.6 | 174.7 | -71.4 | 179 | 0 | 0 | 0 | 111 | A435 I437 V449 Y516 V540 I541 D542 R546 R547 V548 | A435-I544 HydrophobicContact CB-CG2 3.98Å; I437-I544 HydrophobicContact CD1-CD1 3.53Å; I437-I544 HydrophobicContact CG1-CD1 4.13Å; V449-I544 HydrophobicContact CG2-CD1 4.32Å; V449-I544 HydrophobicContact CG2-CG1 4.37Å; Y516-I544 HydrophobicContact CD1-CD1 4.18Å; Y516-I544 HydrophobicContact CD1-CG1 3.76Å; Y516-I544 HydrophobicContact CD2-CD1 4.41Å; Y516-I544 HydrophobicContact CD2-CG1 4.41Å; Y516-I544 HydrophobicContact CD2-CG2 3.94Å; Y516-I544 HydrophobicContact CE1-CB 4.32Å; Y516-I544 HydrophobicContact CE1-CG1 3.9Å; Y516-I544 HydrophobicContact CE1-CG2 4.25Å; Y516-I544 HydrophobicContact CE2-CG2 3.62Å; Y516-I544 HydrophobicContact CG-CD1 4Å; Y516-I544 HydrophobicContact CG-CG1 4.03Å; Y516-I544 HydrophobicContact CG-CG2 4.41Å; Y516-I544 PolarHBondContact OH-O 3.42Å; V540-I544 HydrophobicContact CG1-CD1 4.41Å; V540-I544 WeakPolarHBondContact O-CG1 3.42Å; V540-I544 PolarHBondContact O-N 3.47Å; I541-I544 HydrophobicContact CD1-CD1 4.1Å; I541-I544 WeakPolarHBondContact O-CB 3.47Å; I541-I544 PolarHBondContact O-N 3.3Å; I541-I544 VanDerWaalsContact O-N 3.14Å; D542-I544 VanDerWaalsContact C-N 3.34Å; D542-I544 PolarHBondContact O-N 3.02Å; I544-R546 VanDerWaalsContact C-N 3.35Å; I544-R546 PolarHBondContact O-N 3.22Å; I544-R547 WeakPolarHBondContact O-CB 3.49Å; I544-R547 PolarHBondContact O-N 3.33Å; I544-V548 HydrophobicContact CG2-CG2 4.5Å; I544-V548 VanDerWaalsContact O-CG2 3.3Å; I544-V548 WeakPolarHBondContact O-CG2 3.47Å; I544-V548 PolarHBondContact O-N 3.27Å |
| 545 | L | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.8 | -36.8 | -178.2 | -64.9 | -171.2 | 0 | 0 | 0 | 112.5 | V273 K281 I283 W306 I541 D542 W543 V548 N549 | V273-L545 HydrophobicContact CB-CD1 3.96Å; V273-L545 HydrophobicContact CG1-CD1 3.84Å; K281-L545 HydrophobicContact CB-CD2 3.63Å; K281-L545 HydrophobicContact CG-CD2 4Å; I283-L545 HydrophobicContact CD1-CD2 3.95Å; I283-L545 HydrophobicContact CG1-CD2 4.37Å; W306-L545 HydrophobicContact CH2-CD1 4.37Å; W306-L545 HydrophobicContact CZ3-CD1 3.87Å; I541-L545 HydrophobicContact CG2-CD1 4.32Å; I541-L545 HydrophobicContact CG2-CG 4.15Å; I541-L545 WeakPolarHBondContact O-CG 3.17Å; I541-L545 PolarHBondContact O-N 2.96Å; D542-L545 PolarHBondContact O-N 3.28Å; W543-L545 PolarHBondContact O-N 3.31Å; L545-V548 WeakPolarHBondContact O-CB 3.43Å; L545-V548 PolarHBondContact O-N 3.46Å; L545-N549 PolarHBondContact O-N 2.87Å |
| 546 | R | 98.3 | Very high | 98.1 | Very high | 60 Ų | 60 | 37.1 Ų | 37.1 | 23% | 0.226 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 174.4 | -73.1 | 166.1 | 62.5 | -159.2 | -1.1 | 111.8 | D542 W543 I544 N549 G550 E551 I553 S567 | D542-R546 WeakPolarHBondContact O-CB 3.48Å; D542-R546 WeakPolarHBondContact O-CG 3.16Å; D542-R546 PolarHBondContact O-N 3.3Å; D542-R546 WeakPolarHBondContact OD1-CD 3.31Å; D542-R546 WeakPolarHBondContact OD2-CD 3.32Å; D542-R546 IonicContact OD2-NH1 2.78Å; D542-R546 PolarHBondContact OD2-NH1 2.98Å; W543-R546 PolarHBondContact O-N 3.1Å; I544-R546 VanDerWaalsContact C-N 3.35Å; I544-R546 PolarHBondContact O-N 3.22Å; R546-N549 CarbonylContact O-C 3.41Å; R546-N549 PolarHBondContact O-N 3.19Å; R546-G550 PolarHBondContact O-N 2.88Å; R546-E551 HydrophobicContact CB-CB 4.26Å; R546-E551 WeakPolarHBondContact CB-OE2 3.49Å; R546-E551 WeakPolarHBondContact CG-OE2 3.26Å; R546-E551 IonicContact CZ-OE1 2.73Å; R546-E551 IonicContact CZ-OE2 3.67Å; R546-E551 IonicContact NE-OE1 3.23Å; R546-E551 PolarHBondContact NE-OE1 3.03Å; R546-E551 IonicContact NE-OE2 3.5Å; R546-E551 PolarHBondContact NE-OE2 2.83Å; R546-E551 IonicContact NH2-OE1 2.85Å; R546-E551 PolarHBondContact NH2-OE1 3.02Å; R546-E551 IonicContact NH2-OE2 3.42Å; R546-E551 VanDerWaalsContact O-CB 3.3Å; R546-E551 WeakPolarHBondContact O-CB 3.5Å; R546-E551 PolarHBondContact O-N 2.84Å; R546-I553 HydrophobicContact CB-CD1 3.48Å; R546-I553 VanDerWaalsContact CB-CD1 3.48Å; R546-I553 HydrophobicContact CG-CD1 4.49Å; R546-S567 PolarHBondContact NH1-O 2.83Å |
| 547 | R | 98.4 | Very high | 98.2 | Very high | 39 Ų | 39 | 35.4 Ų | 35.4 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -43 | 171 | -71.4 | -62.5 | -60 | 145.8 | -3.7 | 112.4 | Q451 Y516 W543 I544 N549 G550 E551 I553 | Q451-R547 VanDerWaalsContact OE1-CZ 3.3Å; Y516-R547 HydrophobicContact CE1-CB 4.35Å; Y516-R547 VanDerWaalsContact OH-CB 3.3Å; Y516-R547 WeakPolarHBondContact OH-CB 3.36Å; W543-R547 HydrophobicContact CD2-CG 3.98Å; W543-R547 HydrophobicContact CE3-CG 4.13Å; W543-R547 HydrophobicContact CH2-CG 3.91Å; W543-R547 HydrophobicContact CZ2-CG 3.72Å; W543-R547 HydrophobicContact CZ3-CG 4.1Å; W543-R547 WeakPolarHBondContact O-CG 3.44Å; W543-R547 PolarHBondContact O-N 2.87Å; I544-R547 WeakPolarHBondContact O-CB 3.49Å; I544-R547 PolarHBondContact O-N 3.33Å; R547-N549 PolarHBondContact O-N 3.39Å; R547-G550 PolarHBondContact O-N 2.9Å; R547-E551 PolarHBondContact NH1-O 2.9Å; R547-I553 VanDerWaalsContact CD-CG1 3.48Å; R547-I553 HydrophobicContact CG-CD1 4.3Å; R547-I553 HydrophobicContact CG-CG1 3.98Å |
| 548 | V | 97.7 | Very high | 98.2 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 14% | 0.139 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.4 | -35.8 | 172.7 | 167.5 | 0 | 0 | 0 | 0 | 111.6 | A435 F514 Y516 I544 L545 G550 | A435-V548 HydrophobicContact CB-CG2 4.16Å; F514-V548 HydrophobicContact CD2-CB 4.32Å; F514-V548 HydrophobicContact CD2-CG2 3.94Å; Y516-V548 HydrophobicContact CE2-CG2 4.43Å; I544-V548 HydrophobicContact CG2-CG2 4.5Å; I544-V548 VanDerWaalsContact O-CG2 3.3Å; I544-V548 WeakPolarHBondContact O-CG2 3.47Å; I544-V548 PolarHBondContact O-N 3.27Å; L545-V548 WeakPolarHBondContact O-CB 3.43Å; L545-V548 PolarHBondContact O-N 3.46Å; V548-G550 VanDerWaalsContact C-N 3.25Å; V548-G550 PolarHBondContact O-N 2.92Å |
| 549 | N | 96.8 | Very high | 98.2 | Very high | 78 Ų | 78 | 35.5 Ų | 35.5 | 42% | 0.417 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 4.6 | 176.6 | -71.8 | -18 | 0 | 0 | 0 | 113.9 | K281 L545 R546 R547 | K281-N549 VanDerWaalsContact CE-OD1 3.29Å; K281-N549 WeakPolarHBondContact CE-OD1 3.24Å; K281-N549 PolarHBondContact NZ-OD1 3.38Å; L545-N549 PolarHBondContact O-N 2.87Å; R546-N549 CarbonylContact O-C 3.41Å; R546-N549 PolarHBondContact O-N 3.19Å; R547-N549 PolarHBondContact O-N 3.39Å |
| 550 | G | 96.9 | Very high | 98.2 | Very high | 61 Ų | 61 | 34.8 Ų | 34.8 | 63% | 0.629 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86 | 12.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R546 R547 V548 | R546-G550 PolarHBondContact O-N 2.88Å; R547-G550 PolarHBondContact O-N 2.9Å; V548-G550 VanDerWaalsContact C-N 3.25Å; V548-G550 PolarHBondContact O-N 2.92Å |
| 551 | E | 98.2 | Very high | 98.2 | Very high | 82 Ų | 82 | 35.7 Ų | 35.7 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | trans | -69.4 | 132.9 | 179.2 | -158 | -176.2 | 145.3 | 0 | 0 | 111.5 | R546 R547 I553 | R546-E551 HydrophobicContact CB-CB 4.26Å; R546-E551 WeakPolarHBondContact CB-OE2 3.49Å; R546-E551 WeakPolarHBondContact CG-OE2 3.26Å; R546-E551 IonicContact CZ-OE1 2.73Å; R546-E551 IonicContact CZ-OE2 3.67Å; R546-E551 IonicContact NE-OE1 3.23Å; R546-E551 PolarHBondContact NE-OE1 3.03Å; R546-E551 IonicContact NE-OE2 3.5Å; R546-E551 PolarHBondContact NE-OE2 2.83Å; R546-E551 IonicContact NH2-OE1 2.85Å; R546-E551 PolarHBondContact NH2-OE1 3.02Å; R546-E551 IonicContact NH2-OE2 3.42Å; R546-E551 VanDerWaalsContact O-CB 3.3Å; R546-E551 WeakPolarHBondContact O-CB 3.5Å; R546-E551 PolarHBondContact O-N 2.84Å; R547-E551 PolarHBondContact NH1-O 2.9Å; E551-I553 VanDerWaalsContact C-N 3.28Å; E551-I553 HydrophobicContact CB-CD1 4.43Å; E551-I553 HydrophobicContact CB-CG1 4.37Å; E551-I553 HydrophobicContact CG-CG2 3.89Å; E551-I553 PolarHBondContact O-N 3.27Å; E551-I553 VanDerWaalsContact OE1-CG2 3.25Å; E551-I553 WeakPolarHBondContact OE1-CG2 3.49Å | ||
| 552 | D | 97.7 | Very high | 98.2 | Very high | 116 Ų | 116 | 36.3 Ų | 36.3 | 62% | 0.62 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -79.8 | 71.2 | 179.4 | -179.6 | 25.7 | 0 | 0 | 0 | 112.4 | K564 | D552-K564 WeakPolarHBondContact O-CE 3.34Å; D552-K564 PolarHBondContact O-NZ 3.04Å; D552-K564 IonicContact OD1-NZ 2.81Å; D552-K564 PolarHBondContact OD1-NZ 3.01Å; D552-K564 IonicContact OD2-NZ 3.67Å; D552-K564 PolarHBondContact OD2-NZ 2.98Å |
| 553 | I | 98.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | trans | -119.3 | 13.9 | 179.9 | 58.5 | 177.5 | 0 | 0 | 0 | 113.4 | W543 R546 R547 E551 K564 S567 | W543-I553 VanDerWaalsContact CD1-CD1 3.47Å; W543-I553 HydrophobicContact CG-CD1 4.12Å; W543-I553 PolarHBondContact NE1-O 2.91Å; W543-I553 VanDerWaalsContact NE1-O 3.08Å; R546-I553 HydrophobicContact CB-CD1 3.48Å; R546-I553 VanDerWaalsContact CB-CD1 3.48Å; R546-I553 HydrophobicContact CG-CD1 4.49Å; R547-I553 VanDerWaalsContact CD-CG1 3.48Å; R547-I553 HydrophobicContact CG-CD1 4.3Å; R547-I553 HydrophobicContact CG-CG1 3.98Å; E551-I553 VanDerWaalsContact C-N 3.28Å; E551-I553 HydrophobicContact CB-CD1 4.43Å; E551-I553 HydrophobicContact CB-CG1 4.37Å; E551-I553 HydrophobicContact CG-CG2 3.89Å; E551-I553 PolarHBondContact O-N 3.27Å; E551-I553 VanDerWaalsContact OE1-CG2 3.25Å; E551-I553 WeakPolarHBondContact OE1-CG2 3.49Å; I553-K564 PolarHBondContact O-N 3.37Å; I553-S567 PolarHBondContact O-OG 2.99Å | ||
| 554 | G | 98.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 151 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L562 K564 | G554-L562 CarbonylContact C-O 3.5Å; G554-L562 WeakPolarHBondContact CA-O 3.45Å; G554-K564 WeakPolarHBondContact O-CE 3.44Å |
| 555 | V | 98.1 | Very high | 98.1 | Very high | 72 Ų | 72 | 45.7 Ų | 45.7 | 44% | 0.436 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.5 | 171.4 | 60.8 | 0 | 0 | 0 | 0 | 109.1 | I561 L562 K564 | V555-I561 CarbonylContact O-C 3.55Å; V555-I561 WeakPolarHBondContact O-CA 3.4Å; V555-L562 HydrophobicContact CG1-CB 4.14Å; V555-L562 PolarHBondContact N-O 2.95Å; V555-L562 PolarHBondContact O-N 3.38Å; V555-K564 HydrophobicContact CB-CG 4.21Å |
| 556 | N | 97.8 | Very high | 98 | Very high | 124 Ų | 124 | 48.4 Ų | 48.4 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 140.1 | 177 | -73.6 | -20.8 | 0 | 0 | 0 | 110.4 | ||
| 557 | S | 98.3 | Very high | 97.9 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 170.6 | 172.8 | 80.7 | 0 | 0 | 0 | 0 | 109.1 | F453 I559 G560 | F453-S557 VanDerWaalsContact CZ-O 3.29Å; F453-S557 WeakPolarHBondContact CZ-O 3.45Å; S557-I559 PolarHBondContact O-N 2.93Å; S557-I559 VanDerWaalsContact O-N 3.13Å; S557-I559 PolarHBondContact OG-N 3.49Å; S557-G560 CarbonylContact C-O 3.57Å; S557-G560 WeakPolarHBondContact CA-O 3.3Å; S557-G560 WeakPolarHBondContact CB-O 3.37Å; S557-G560 PolarHBondContact N-O 3.48Å; S557-G560 PolarHBondContact O-N 3.41Å; S557-G560 PolarHBondContact OG-N 3.3Å; S557-G560 PolarHBondContact OG-O 3.15Å |
| 558 | P | 98 | Very high | 97.9 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.7 | 178.5 | -24.2 | 31.8 | 0 | 0 | 0 | 115.5 | R621 I622 Q625 L626 | P558-R621 HydrophobicContact CB-CB 3.87Å; P558-R621 PolarHBondContact O-NE 2.75Å; P558-I622 HydrophobicContact CB-CB 4.48Å; P558-I622 HydrophobicContact CB-CG1 3.82Å; P558-Q625 HydrophobicContact CG-CB 4.01Å; P558-L626 HydrophobicContact CG-CD1 4.04Å; P558-L626 HydrophobicContact CG-CD2 3.94Å; P558-L626 HydrophobicContact CG-CG 3.69Å |
| 559 | I | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 8.2 | -172.2 | 64.3 | 166.9 | 0 | 0 | 0 | 113.6 | P447 L450 H457 S557 L583 L588 Q618 I622 | P447-I559 HydrophobicContact CG-CD1 3.99Å; L450-I559 HydrophobicContact CD2-CD1 3.75Å; L450-I559 HydrophobicContact CD2-CG1 4.13Å; H457-I559 PolarHBondContact CE1-O 3.37Å; S557-I559 PolarHBondContact O-N 2.93Å; S557-I559 VanDerWaalsContact O-N 3.13Å; S557-I559 PolarHBondContact OG-N 3.49Å; I559-L583 HydrophobicContact CD1-CD2 3.54Å; I559-L583 HydrophobicContact CG1-CD1 4.31Å; I559-L583 HydrophobicContact CG1-CD2 4.2Å; I559-L588 HydrophobicContact CG2-CD1 4.31Å; I559-L588 HydrophobicContact CG2-CD2 4.47Å; I559-Q618 HydrophobicContact CG2-CG 4.26Å; I559-I622 HydrophobicContact CG2-CD1 4.12Å; I559-I622 HydrophobicContact CG2-CG1 4.16Å |
| 560 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.5 | -165.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q451 S557 | Q451-G560 WeakPolarHBondContact O-CA 3.38Å; S557-G560 CarbonylContact C-O 3.57Å; S557-G560 WeakPolarHBondContact CA-O 3.3Å; S557-G560 WeakPolarHBondContact CB-O 3.37Å; S557-G560 PolarHBondContact N-O 3.48Å; S557-G560 PolarHBondContact O-N 3.41Å; S557-G560 PolarHBondContact OG-N 3.3Å; S557-G560 PolarHBondContact OG-O 3.15Å |
| 561 | I | 98.8 | Very high | 97.8 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 117.7 | 177.7 | -60.4 | 162.5 | 0 | 0 | 0 | 108.8 | L450 Q451 F453 V555 | L450-I561 WeakPolarHBondContact CA-O 3.4Å; Q451-I561 HydrophobicContact CB-CB 4.14Å; Q451-I561 PolarHBondContact N-O 3.48Å; Q451-I561 PolarHBondContact O-N 2.92Å; F453-I561 HydrophobicContact CD1-CD1 4.31Å; F453-I561 HydrophobicContact CD1-CG1 3.94Å; F453-I561 HydrophobicContact CE1-CG1 4.02Å; V555-I561 CarbonylContact O-C 3.55Å; V555-I561 WeakPolarHBondContact O-CA 3.4Å |
| 562 | L | 98.7 | Very high | 97.6 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 161.4 | 176 | -61.6 | -177.1 | 0 | 0 | 0 | 111.4 | P447 L450 G554 V555 L583 | P447-L562 HydrophobicContact CB-CD2 4.25Å; P447-L562 HydrophobicContact CG-CD2 3.83Å; L450-L562 HydrophobicContact CB-CD2 3.75Å; G554-L562 CarbonylContact C-O 3.5Å; G554-L562 WeakPolarHBondContact CA-O 3.45Å; V555-L562 HydrophobicContact CG1-CB 4.14Å; V555-L562 PolarHBondContact N-O 2.95Å; V555-L562 PolarHBondContact O-N 3.38Å; L562-L583 HydrophobicContact CD1-CD1 3.97Å; L562-L583 HydrophobicContact CD1-CD2 4.38Å; L562-L583 HydrophobicContact CD1-CG 4.24Å |
| 563 | P | 98.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 137.3 | 168 | -22.7 | 34.6 | 0 | 0 | 0 | 112.2 | V449 W543 S567 I568 W577 F581 | V449-P563 HydrophobicContact CG1-CG 3.57Å; W543-P563 HydrophobicContact CD2-CB 4.39Å; W543-P563 HydrophobicContact CD2-CG 4Å; W543-P563 HydrophobicContact CE3-CG 4.43Å; W543-P563 HydrophobicContact CG-CG 4.46Å; W543-P563 HydrophobicContact CH2-CG 4.28Å; W543-P563 HydrophobicContact CZ2-CB 4.12Å; W543-P563 HydrophobicContact CZ2-CG 3.83Å; P563-S567 WeakPolarHBondContact CB-OG 3.4Å; P563-I568 HydrophobicContact CB-CD1 3.81Å; P563-I568 HydrophobicContact CB-CG1 4.13Å; P563-I568 HydrophobicContact CG-CD1 3.45Å; P563-I568 VanDerWaalsContact CG-CD1 3.45Å; P563-I568 HydrophobicContact CG-CG1 4.22Å; P563-W577 HydrophobicContact CB-CH2 3.95Å; P563-W577 HydrophobicContact CB-CZ2 3.99Å; P563-F581 HydrophobicContact CB-CE1 4.47Å; P563-F581 HydrophobicContact CB-CZ 4.35Å; P563-F581 VanDerWaalsContact CD-CE1 3.47Å; P563-F581 HydrophobicContact CG-CD1 4.44Å; P563-F581 HydrophobicContact CG-CE1 3.59Å; P563-F581 HydrophobicContact CG-CZ 3.71Å |
| 564 | K | 98.4 | Very high | 97.3 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 33% | 0.33 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 145.3 | 164.8 | -69.8 | -179.6 | -173.5 | 170.2 | 0 | 109.3 | D552 I553 G554 V555 G566 S567 W577 | D552-K564 WeakPolarHBondContact O-CE 3.34Å; D552-K564 PolarHBondContact O-NZ 3.04Å; D552-K564 IonicContact OD1-NZ 2.81Å; D552-K564 PolarHBondContact OD1-NZ 3.01Å; D552-K564 IonicContact OD2-NZ 3.67Å; D552-K564 PolarHBondContact OD2-NZ 2.98Å; I553-K564 PolarHBondContact O-N 3.37Å; G554-K564 WeakPolarHBondContact O-CE 3.44Å; V555-K564 HydrophobicContact CB-CG 4.21Å; K564-G566 PolarHBondContact O-N 3.46Å; K564-S567 PolarHBondContact N-OG 3.43Å; K564-S567 VanDerWaalsContact O-CB 3.22Å; K564-S567 WeakPolarHBondContact O-CB 3.5Å; K564-S567 PolarHBondContact O-N 3.02Å; K564-S567 PolarHBondContact O-OG 3.28Å; K564-W577 WeakPolarHBondContact O-CH2 3.21Å; K564-W577 WeakPolarHBondContact O-CZ2 3.41Å |
| 565 | K | 96.9 | Very high | 97.1 | Very high | 144 Ų | 144 | 51.6 Ų | 51.6 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 125.5 | 179.3 | -166.9 | 158.4 | -173.1 | 156.4 | 0 | 111.2 | S567 W577 D578 | K565-S567 VanDerWaalsContact C-N 3.35Å; K565-W577 VanDerWaalsContact CA-CZ2 3.4Å; K565-W577 HydrophobicContact CB-CZ2 4.42Å; K565-W577 HydrophobicContact CD-CG 4.28Å; K565-W577 HydrophobicContact CG-CD2 3.99Å; K565-W577 HydrophobicContact CG-CG 3.98Å; K565-D578 IonicContact NZ-OD1 2.88Å; K565-D578 PolarHBondContact NZ-OD1 3.36Å; K565-D578 IonicContact NZ-OD2 3.25Å; K565-D578 PolarHBondContact NZ-OD2 3.47Å |
| 566 | G | 95.9 | Very high | 96.9 | Very high | 60 Ų | 60 | 51.8 Ų | 51.8 | 62% | 0.619 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 0.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.8 | K564 I568 W577 | K564-G566 PolarHBondContact O-N 3.46Å; G566-I568 VanDerWaalsContact C-N 3.35Å; G566-W577 VanDerWaalsContact N-CZ3 3.32Å |
| 567 | S | 97.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | trans | -77.5 | -19.7 | 178.9 | 63 | 0 | 0 | 0 | 0 | 114.3 | W543 R546 I553 P563 K564 K565 | W543-S567 PolarHBondContact NE1-OG 3.37Å; R546-S567 PolarHBondContact NH1-O 2.83Å; I553-S567 PolarHBondContact O-OG 2.99Å; P563-S567 WeakPolarHBondContact CB-OG 3.4Å; K564-S567 PolarHBondContact N-OG 3.43Å; K564-S567 VanDerWaalsContact O-CB 3.22Å; K564-S567 WeakPolarHBondContact O-CB 3.5Å; K564-S567 PolarHBondContact O-N 3.02Å; K564-S567 PolarHBondContact O-OG 3.28Å; K565-S567 VanDerWaalsContact C-N 3.35Å | ||
| 568 | I | 98.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -97.1 | 131 | 167.1 | -64.7 | 166.9 | 0 | 0 | 0 | 107.9 | V449 R539 V540 W543 P563 G566 F570 W577 F581 | V449-I568 HydrophobicContact CG1-CD1 3.9Å; R539-I568 HydrophobicContact CB-CG2 3.95Å; V540-I568 HydrophobicContact CG2-CD1 4.46Å; W543-I568 HydrophobicContact CB-CD1 4.38Å; W543-I568 HydrophobicContact CB-CG1 3.7Å; W543-I568 HydrophobicContact CG-CD1 4.34Å; W543-I568 HydrophobicContact CG-CG1 3.82Å; P563-I568 HydrophobicContact CB-CD1 3.81Å; P563-I568 HydrophobicContact CB-CG1 4.13Å; P563-I568 HydrophobicContact CG-CD1 3.45Å; P563-I568 VanDerWaalsContact CG-CD1 3.45Å; P563-I568 HydrophobicContact CG-CG1 4.22Å; G566-I568 VanDerWaalsContact C-N 3.35Å; I568-F570 HydrophobicContact CB-CD1 4.21Å; I568-F570 HydrophobicContact CB-CE1 3.96Å; I568-F570 HydrophobicContact CG2-CD1 3.77Å; I568-F570 HydrophobicContact CG2-CE1 3.58Å; I568-F570 PolarHBondContact O-N 2.8Å; I568-F570 VanDerWaalsContact O-N 3.11Å; I568-W577 HydrophobicContact CB-CH2 4.28Å; I568-W577 HydrophobicContact CB-CZ3 4.13Å; I568-F581 HydrophobicContact CD1-CE2 4.28Å; I568-F581 HydrophobicContact CD1-CZ 3.63Å |
| 569 | N | 96.2 | Very high | 96.6 | Very high | 51 Ų | 51 | 54.9 Ų | 54.9 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | trans | -66.4 | 108.6 | 176.8 | 180 | -13.4 | 0 | 0 | 0 | 110.3 | R539 D571 | R539-N569 WeakPolarHBondContact CD-O 3.4Å; R539-N569 WeakPolarHBondContact CG-O 3.36Å; R539-N569 VanDerWaalsContact NH1-CG 3.26Å; R539-N569 PolarHBondContact NH1-O 3.28Å; R539-N569 PolarHBondContact NH1-OD1 2.95Å; N569-D571 WeakPolarHBondContact OD1-CA 3.44Å; N569-D571 WeakPolarHBondContact OD1-CB 3.27Å; N569-D571 VanDerWaalsContact OD1-CG 3.29Å; N569-D571 PolarHBondContact OD1-N 2.8Å; N569-D571 PolarHBondContact OD1-OD2 2.94Å | ||
| 570 | F | 96.5 | Very high | 96.5 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 13% | 0.132 | 31% | 0.312 | C | S | . | . | trans | -99.5 | 4.2 | 173.4 | -80.5 | 19.4 | 0 | 0 | 0 | 112.5 | W531 I568 G572 L573 V575 W577 N580 F581 | W531-F570 HydrophobicContact CH2-CD1 4.37Å; W531-F570 HydrophobicContact CH2-CE1 4.07Å; W531-F570 HydrophobicContact CZ3-CD1 4.06Å; W531-F570 AromaticContact CZ3-CE1 3.6Å; W531-F570 HydrophobicContact CZ3-CE1 3.6Å; W531-F570 AromaticContact CZ3-CZ 3.94Å; W531-F570 HydrophobicContact CZ3-CZ 3.94Å; I568-F570 HydrophobicContact CB-CD1 4.21Å; I568-F570 HydrophobicContact CB-CE1 3.96Å; I568-F570 HydrophobicContact CG2-CD1 3.77Å; I568-F570 HydrophobicContact CG2-CE1 3.58Å; I568-F570 PolarHBondContact O-N 2.8Å; I568-F570 VanDerWaalsContact O-N 3.11Å; F570-G572 PolarHBondContact O-N 3.28Å; F570-L573 WeakPolarHBondContact O-CB 3.37Å; F570-L573 PolarHBondContact O-N 2.86Å; F570-V575 HydrophobicContact CB-CG2 4.25Å; F570-V575 HydrophobicContact CD2-CG2 3.38Å; F570-V575 HydrophobicContact CE2-CB 4.48Å; F570-V575 HydrophobicContact CE2-CG2 3.67Å; F570-V575 HydrophobicContact CG-CG2 3.83Å; F570-V575 HydrophobicContact CZ-CG2 4.38Å; F570-W577 HydrophobicContact CD1-CZ3 4.48Å; F570-W577 HydrophobicContact CD2-CE3 4.06Å; F570-W577 HydrophobicContact CE1-CE3 4.34Å; F570-W577 HydrophobicContact CE1-CZ3 4.23Å; F570-W577 HydrophobicContact CE2-CB 4.36Å; F570-W577 AromaticContact CE2-CE3 3.82Å; F570-W577 HydrophobicContact CE2-CE3 3.82Å; F570-W577 HydrophobicContact CG-CE3 4.47Å; F570-W577 AromaticContact CZ-CE3 3.97Å; F570-W577 HydrophobicContact CZ-CE3 3.97Å; F570-W577 HydrophobicContact CZ-CZ3 4.26Å; F570-N580 HydrophobicContact CZ-CB 4.46Å; F570-F581 HydrophobicContact CZ-CE2 4.07Å | ||
| 571 | D | 95 | Very high | 96.5 | Very high | 123 Ų | 123 | 55.3 Ų | 55.3 | 66% | 0.658 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 130.8 | -176.2 | -60.1 | -19.3 | 0 | 0 | 0 | 111.3 | R539 N569 L573 | R539-D571 PolarHBondContact NH1-O 2.49Å; R539-D571 VanDerWaalsContact NH1-O 3.13Å; R539-D571 PolarHBondContact NH2-O 3.23Å; N569-D571 WeakPolarHBondContact OD1-CA 3.44Å; N569-D571 WeakPolarHBondContact OD1-CB 3.27Å; N569-D571 VanDerWaalsContact OD1-CG 3.29Å; N569-D571 PolarHBondContact OD1-N 2.8Å; N569-D571 PolarHBondContact OD1-OD2 2.94Å; D571-L573 VanDerWaalsContact C-N 3.31Å |
| 572 | G | 94.7 | Very high | 96.4 | Very high | 86 Ų | 86 | 56.7 Ų | 56.7 | 89% | 0.887 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 8.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F570 | F570-G572 PolarHBondContact O-N 3.28Š|
| 573 | L | 95.9 | Very high | 96.3 | Very high | 34 Ų | 34 | 57.4 Ų | 57.4 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | trans | -113 | 135.8 | 177.2 | -55.2 | -176.9 | 0 | 0 | 0 | 111 | W531 P532 Q536 F570 D571 V575 | W531-L573 HydrophobicContact CH2-CD1 3.69Å; W531-L573 HydrophobicContact CZ3-CD1 3.81Å; P532-L573 HydrophobicContact CG-CD1 4.28Å; P532-L573 HydrophobicContact CG-CD2 4.33Å; Q536-L573 HydrophobicContact CG-CD2 4.2Å; F570-L573 WeakPolarHBondContact O-CB 3.37Å; F570-L573 PolarHBondContact O-N 2.86Å; D571-L573 VanDerWaalsContact C-N 3.31Å; L573-V575 VanDerWaalsContact C-N 3.32Å; L573-V575 HydrophobicContact CB-CG1 4.14Å; L573-V575 HydrophobicContact CB-CG2 3.67Å; L573-V575 HydrophobicContact CD1-CG2 4.38Å; L573-V575 PolarHBondContact O-N 3.03Å | ||
| 574 | D | 93.4 | Very high | 96.3 | Very high | 177 Ų | 177 | 59.3 Ų | 59.3 | 95% | 0.947 | 34% | 0.342 | S | S | * | . | trans | -87 | 74.6 | 169.3 | -173.6 | 26.5 | 0 | 0 | 0 | 109.2 | ||||
| 575 | V | 94.9 | Very high | 96.3 | Very high | 33 Ų | 33 | 59.1 Ų | 59.1 | 20% | 0.2 | 34% | 0.341 | C | S | . | . | trans | -135.3 | 142.3 | -176.6 | -64.5 | 0 | 0 | 0 | 0 | 110.4 | V530 W531 F570 L573 | V530-V575 WeakPolarHBondContact O-CG1 3.42Å; W531-V575 HydrophobicContact CE3-CG1 4.37Å; W531-V575 HydrophobicContact CZ3-CG2 4.26Å; F570-V575 HydrophobicContact CB-CG2 4.25Å; F570-V575 HydrophobicContact CD2-CG2 3.38Å; F570-V575 HydrophobicContact CE2-CB 4.48Å; F570-V575 HydrophobicContact CE2-CG2 3.67Å; F570-V575 HydrophobicContact CG-CG2 3.83Å; F570-V575 HydrophobicContact CZ-CG2 4.38Å; L573-V575 VanDerWaalsContact C-N 3.32Å; L573-V575 HydrophobicContact CB-CG1 4.14Å; L573-V575 HydrophobicContact CB-CG2 3.67Å; L573-V575 HydrophobicContact CD1-CG2 4.38Å; L573-V575 PolarHBondContact O-N 3.03Å | ||
| 576 | D | 94.4 | Very high | 96.3 | Very high | 76 Ų | 76 | 58.6 Ų | 58.6 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | trans | -95.2 | 132 | 178.2 | -177 | -94.9 | 0 | 0 | 0 | 111.5 | D578 E579 N580 | D576-D578 WeakPolarHBondContact OD1-CA 3.37Å; D576-D578 WeakPolarHBondContact OD1-CB 3.34Å; D576-D578 PolarHBondContact OD1-N 2.81Å; D576-E579 HydrophobicContact CB-CB 4.04Å; D576-E579 HydrophobicContact CB-CG 3.95Å; D576-E579 PolarHBondContact OD1-N 2.94Å; D576-N580 PolarHBondContact O-N 2.77Å; D576-N580 PolarHBondContact O-ND2 3.48Å | ||
| 577 | W | 96.5 | Very high | 96.4 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 12% | 0.121 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.9 | -43.2 | -179.8 | -175.3 | -80.5 | 0 | 0 | 0 | 111.7 | P563 K564 K565 G566 I568 F570 N580 F581 | P563-W577 HydrophobicContact CB-CH2 3.95Å; P563-W577 HydrophobicContact CB-CZ2 3.99Å; K564-W577 WeakPolarHBondContact O-CH2 3.21Å; K564-W577 WeakPolarHBondContact O-CZ2 3.41Å; K565-W577 VanDerWaalsContact CA-CZ2 3.4Å; K565-W577 HydrophobicContact CB-CZ2 4.42Å; K565-W577 HydrophobicContact CD-CG 4.28Å; K565-W577 HydrophobicContact CG-CD2 3.99Å; K565-W577 HydrophobicContact CG-CG 3.98Å; G566-W577 VanDerWaalsContact N-CZ3 3.32Å; I568-W577 HydrophobicContact CB-CH2 4.28Å; I568-W577 HydrophobicContact CB-CZ3 4.13Å; F570-W577 HydrophobicContact CD1-CZ3 4.48Å; F570-W577 HydrophobicContact CD2-CE3 4.06Å; F570-W577 HydrophobicContact CE1-CE3 4.34Å; F570-W577 HydrophobicContact CE1-CZ3 4.23Å; F570-W577 HydrophobicContact CE2-CB 4.36Å; F570-W577 AromaticContact CE2-CE3 3.82Å; F570-W577 HydrophobicContact CE2-CE3 3.82Å; F570-W577 HydrophobicContact CG-CE3 4.47Å; F570-W577 AromaticContact CZ-CE3 3.97Å; F570-W577 HydrophobicContact CZ-CE3 3.97Å; F570-W577 HydrophobicContact CZ-CZ3 4.26Å; W577-N580 PolarHBondContact O-N 3.29Å; W577-F581 AromaticContact CD2-CD2 3.92Å; W577-F581 HydrophobicContact CD2-CD2 3.92Å; W577-F581 HydrophobicContact CD2-CE2 4.18Å; W577-F581 AromaticContact CE2-CD2 3.53Å; W577-F581 AromaticContact CE2-CE2 3.91Å; W577-F581 HydrophobicContact CE3-CE2 4.35Å; W577-F581 HydrophobicContact CG-CD2 4.22Å; W577-F581 HydrophobicContact CH2-CD2 4.46Å; W577-F581 HydrophobicContact CH2-CE2 4.03Å; W577-F581 AromaticContact CZ2-CD2 3.81Å; W577-F581 HydrophobicContact CZ2-CD2 3.81Å; W577-F581 AromaticContact CZ2-CE2 3.81Å; W577-F581 HydrophobicContact CZ2-CE2 3.81Å; W577-F581 HydrophobicContact CZ3-CE2 4.29Å; W577-F581 AromaticContact NE1-CD2 3.67Å; W577-F581 WeakPolarHBondContact O-CD2 3.38Å; W577-F581 PolarHBondContact O-N 2.86Å |
| 578 | D | 95.3 | Very high | 96.4 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 47% | 0.471 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -76 | -31 | -172.9 | -57.9 | -24.2 | 0 | 0 | 0 | 110.1 | K565 D576 S582 | K565-D578 IonicContact NZ-OD1 2.88Å; K565-D578 PolarHBondContact NZ-OD1 3.36Å; K565-D578 IonicContact NZ-OD2 3.25Å; K565-D578 PolarHBondContact NZ-OD2 3.47Å; D576-D578 WeakPolarHBondContact OD1-CA 3.37Å; D576-D578 WeakPolarHBondContact OD1-CB 3.34Å; D576-D578 PolarHBondContact OD1-N 2.81Å; D578-S582 WeakPolarHBondContact O-CA 3.49Å; D578-S582 WeakPolarHBondContact O-CB 3.35Å; D578-S582 PolarHBondContact O-N 3.09Å; D578-S582 PolarHBondContact O-OG 3.31Å |
| 579 | E | 95 | Very high | 96.4 | Very high | 84 Ų | 84 | 58.8 Ų | 58.8 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 168.5 | -71 | -163.7 | 174.4 | 0 | 0 | 112.5 | R522 V530 D576 | R522-E579 PolarHBondContact NE-O 3.04Å; R522-E579 PolarHBondContact NH1-O 3.27Å; V530-E579 HydrophobicContact CG1-CB 4.33Å; D576-E579 HydrophobicContact CB-CB 4.04Å; D576-E579 HydrophobicContact CB-CG 3.95Å; D576-E579 PolarHBondContact OD1-N 2.94Å |
| 580 | N | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -74.4 | -29.8 | 179.8 | -84.1 | -87 | 0 | 0 | 0 | 113.2 | P447 L448 V530 F570 D576 W577 | P447-N580 VanDerWaalsContact CA-O 3.27Å; P447-N580 WeakPolarHBondContact CA-O 3.27Å; L448-N580 HydrophobicContact CB-CB 4.29Å; L448-N580 PolarHBondContact N-O 2.93Å; V530-N580 PolarHBondContact O-ND2 3Å; F570-N580 HydrophobicContact CZ-CB 4.46Å; D576-N580 PolarHBondContact O-N 2.77Å; D576-N580 PolarHBondContact O-ND2 3.48Å; W577-N580 PolarHBondContact O-N 3.29Å |
| 581 | F | 98 | Very high | 96.6 | Very high | 15 Ų | 15 | 62.9 Ų | 62.9 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -122 | 0.9 | -171.2 | -67.1 | -71.4 | 0 | 0 | 0 | 115.8 | P447 L448 V449 P563 I568 F570 W577 | P447-F581 HydrophobicContact CB-CD1 3.99Å; L448-F581 HydrophobicContact CB-CE1 4Å; L448-F581 HydrophobicContact CB-CZ 3.9Å; L448-F581 HydrophobicContact CD2-CZ 4.12Å; L448-F581 HydrophobicContact CG-CZ 4.43Å; V449-F581 HydrophobicContact CG1-CE1 3.99Å; V449-F581 HydrophobicContact CG1-CZ 4.22Å; P563-F581 HydrophobicContact CB-CE1 4.47Å; P563-F581 HydrophobicContact CB-CZ 4.35Å; P563-F581 VanDerWaalsContact CD-CE1 3.47Å; P563-F581 HydrophobicContact CG-CD1 4.44Å; P563-F581 HydrophobicContact CG-CE1 3.59Å; P563-F581 HydrophobicContact CG-CZ 3.71Å; I568-F581 HydrophobicContact CD1-CE2 4.28Å; I568-F581 HydrophobicContact CD1-CZ 3.63Å; F570-F581 HydrophobicContact CZ-CE2 4.07Å; W577-F581 AromaticContact CD2-CD2 3.92Å; W577-F581 HydrophobicContact CD2-CD2 3.92Å; W577-F581 HydrophobicContact CD2-CE2 4.18Å; W577-F581 AromaticContact CE2-CD2 3.53Å; W577-F581 AromaticContact CE2-CE2 3.91Å; W577-F581 HydrophobicContact CE3-CE2 4.35Å; W577-F581 HydrophobicContact CG-CD2 4.22Å; W577-F581 HydrophobicContact CH2-CD2 4.46Å; W577-F581 HydrophobicContact CH2-CE2 4.03Å; W577-F581 AromaticContact CZ2-CD2 3.81Å; W577-F581 HydrophobicContact CZ2-CD2 3.81Å; W577-F581 AromaticContact CZ2-CE2 3.81Å; W577-F581 HydrophobicContact CZ2-CE2 3.81Å; W577-F581 HydrophobicContact CZ3-CE2 4.29Å; W577-F581 AromaticContact NE1-CD2 3.67Å; W577-F581 WeakPolarHBondContact O-CD2 3.38Å; W577-F581 PolarHBondContact O-N 2.86Å |
| 582 | S | 96.6 | Very high | 96.7 | Very high | 47 Ų | 47 | 57.1 Ų | 57.1 | 33% | 0.329 | 32% | 0.316 | S | S | . | . | trans | -60.8 | 140.5 | 175.5 | 46.6 | 0 | 0 | 0 | 0 | 112 | R522 D578 P584 | R522-S582 PolarHBondContact NH1-O 3.27Å; R522-S582 PolarHBondContact NH2-O 3.11Å; R522-S582 PolarHBondContact NH2-OG 3.49Å; D578-S582 WeakPolarHBondContact O-CA 3.49Å; D578-S582 WeakPolarHBondContact O-CB 3.35Å; D578-S582 PolarHBondContact O-N 3.09Å; D578-S582 PolarHBondContact O-OG 3.31Å; S582-P584 WeakPolarHBondContact O-CD 3.27Å | ||
| 583 | L | 97.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | trans | -116.2 | 82 | -179.5 | -63.2 | -170.9 | 0 | 0 | 0 | 109.9 | P447 I559 L562 K585 L588 L626 | P447-L583 HydrophobicContact CG-CD2 4.2Å; I559-L583 HydrophobicContact CD1-CD2 3.54Å; I559-L583 HydrophobicContact CG1-CD1 4.31Å; I559-L583 HydrophobicContact CG1-CD2 4.2Å; L562-L583 HydrophobicContact CD1-CD1 3.97Å; L562-L583 HydrophobicContact CD1-CD2 4.38Å; L562-L583 HydrophobicContact CD1-CG 4.24Å; L583-K585 PolarHBondContact O-N 3.3Å; L583-K585 VanDerWaalsContact O-N 3.14Å; L583-L588 HydrophobicContact CB-CD1 3.73Å; L583-L588 HydrophobicContact CD2-CD1 4.25Å; L583-L588 HydrophobicContact CG-CD1 4.43Å; L583-L626 HydrophobicContact CB-CD1 4.02Å; L583-L626 HydrophobicContact CB-CD2 4.28Å | ||
| 584 | P | 97.1 | Very high | 97 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 29% | 0.292 | 30% | 0.3 | S | S | . | . | trans | -65.1 | 112.8 | 179.4 | 22.8 | -29.5 | 0 | 0 | 0 | 111 | S582 D586 Y587 L588 | S582-P584 WeakPolarHBondContact O-CD 3.27Å; P584-D586 PolarHBondContact O-N 2.74Å; P584-Y587 HydrophobicContact CG-CG 4.39Å; P584-Y587 PolarHBondContact O-N 3.36Å; P584-L588 WeakPolarHBondContact O-CG 3.34Å; P584-L588 PolarHBondContact O-N 3.27Å | ||
| 585 | K | 98 | Very high | 97.2 | Very high | 71 Ų | 71 | 50 Ų | 50 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -52.7 | -52 | -174.1 | -175.3 | -179.9 | -170.5 | 163.7 | 0 | 113.1 | L583 Y587 L588 L589 I622 Q623 L626 | L583-K585 PolarHBondContact O-N 3.3Å; L583-K585 VanDerWaalsContact O-N 3.14Å; K585-Y587 VanDerWaalsContact C-N 3.34Å; K585-Y587 PolarHBondContact O-N 2.97Å; K585-L588 PolarHBondContact O-N 3.01Å; K585-L588 VanDerWaalsContact O-N 3.15Å; K585-L589 HydrophobicContact CG-CD1 4.03Å; K585-L589 HydrophobicContact CG-CG 4.41Å; K585-L589 WeakPolarHBondContact O-CG 3.26Å; K585-L589 PolarHBondContact O-N 2.87Å; K585-I622 HydrophobicContact CG-CG2 4.4Å; K585-Q623 PolarHBondContact NZ-O 2.81Å; K585-L626 HydrophobicContact CB-CB 3.91Å; K585-L626 HydrophobicContact CB-CD1 4.44Å; K585-L626 HydrophobicContact CD-CB 4.09Å; K585-L626 WeakPolarHBondContact CD-OXT 3.07Å; K585-L626 WeakPolarHBondContact CE-OXT 3.42Å; K585-L626 HydrophobicContact CG-CB 3.92Å; K585-L626 PolarHBondContact NZ-OXT 2.84Å |
| 586 | D | 97.8 | Very high | 97.4 | Very high | 133 Ų | 133 | 49.8 Ų | 49.8 | 71% | 0.711 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.4 | -43.7 | -175.4 | -64.2 | -18.5 | 0 | 0 | 0 | 111.6 | P584 L588 L589 E590 | P584-D586 PolarHBondContact O-N 2.74Å; D586-L588 PolarHBondContact O-N 2.84Å; D586-L589 PolarHBondContact O-N 2.86Å; D586-E590 PolarHBondContact O-N 3Å |
| 587 | Y | 97.6 | Very high | 97.5 | Very high | 43 Ų | 43 | 52 Ų | 52 | 17% | 0.169 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 174.8 | -178 | -84.6 | 0 | 0 | 0 | 111.8 | R442 E444 I446 P584 K585 L589 E590 D591 | R442-Y587 PolarHBondContact NH2-OH 2.93Å; E444-Y587 HydrophobicContact CB-CD2 4.41Å; E444-Y587 HydrophobicContact CB-CE2 3.76Å; E444-Y587 HydrophobicContact CG-CD2 3.83Å; E444-Y587 HydrophobicContact CG-CE2 3.7Å; E444-Y587 PolarHBondContact O-OH 3.47Å; I446-Y587 HydrophobicContact CD1-CE1 4.44Å; P584-Y587 HydrophobicContact CG-CG 4.39Å; P584-Y587 PolarHBondContact O-N 3.36Å; K585-Y587 VanDerWaalsContact C-N 3.34Å; K585-Y587 PolarHBondContact O-N 2.97Å; Y587-L589 VanDerWaalsContact C-N 3.34Å; Y587-L589 PolarHBondContact O-N 2.94Å; Y587-E590 PolarHBondContact O-N 3.18Å; Y587-D591 HydrophobicContact CD1-CB 4.4Å; Y587-D591 HydrophobicContact CE1-CB 4.23Å; Y587-D591 VanDerWaalsContact O-CB 3.27Å; Y587-D591 WeakPolarHBondContact O-CB 3.49Å; Y587-D591 PolarHBondContact O-N 2.78Å |
| 588 | L | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.8 | -33.3 | -177.6 | -68.5 | 176.3 | 0 | 0 | 0 | 112.1 | I446 I559 L583 P584 K585 D586 I592 I622 L626 | I446-L588 HydrophobicContact CD1-CD2 4.4Å; I559-L588 HydrophobicContact CG2-CD1 4.31Å; I559-L588 HydrophobicContact CG2-CD2 4.47Å; L583-L588 HydrophobicContact CB-CD1 3.73Å; L583-L588 HydrophobicContact CD2-CD1 4.25Å; L583-L588 HydrophobicContact CG-CD1 4.43Å; P584-L588 WeakPolarHBondContact O-CG 3.34Å; P584-L588 PolarHBondContact O-N 3.27Å; K585-L588 PolarHBondContact O-N 3.01Å; K585-L588 VanDerWaalsContact O-N 3.15Å; D586-L588 PolarHBondContact O-N 2.84Å; L588-I592 WeakPolarHBondContact O-CB 3.2Å; L588-I592 VanDerWaalsContact O-CG2 3.27Å; L588-I592 WeakPolarHBondContact O-CG2 3.33Å; L588-I592 PolarHBondContact O-N 3.46Å; L588-I622 HydrophobicContact CB-CD1 4Å; L588-I622 HydrophobicContact CB-CG1 4.36Å; L588-I622 HydrophobicContact CB-CG2 3.94Å; L588-L626 HydrophobicContact CD1-CD1 3.73Å |
| 589 | L | 98.5 | Very high | 97.7 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.7 | -44.6 | 172 | -71.3 | 175.3 | 0 | 0 | 0 | 111.7 | K585 D586 Y587 I592 D593 I622 Q623 | K585-L589 HydrophobicContact CG-CD1 4.03Å; K585-L589 HydrophobicContact CG-CG 4.41Å; K585-L589 WeakPolarHBondContact O-CG 3.26Å; K585-L589 PolarHBondContact O-N 2.87Å; D586-L589 PolarHBondContact O-N 2.86Å; Y587-L589 VanDerWaalsContact C-N 3.34Å; Y587-L589 PolarHBondContact O-N 2.94Å; L589-I592 WeakPolarHBondContact O-CG2 3.49Å; L589-D593 VanDerWaalsContact O-CB 3.29Å; L589-D593 WeakPolarHBondContact O-CB 3.33Å; L589-D593 VanDerWaalsContact O-CG 3.26Å; L589-D593 PolarHBondContact O-N 3.5Å; L589-I622 HydrophobicContact CD2-CB 4.12Å; L589-I622 HydrophobicContact CD2-CG2 3.5Å; L589-I622 HydrophobicContact CG-CG2 3.67Å; L589-Q623 HydrophobicContact CD2-CG 3.46Å; L589-Q623 VanDerWaalsContact CD2-CG 3.46Å |
| 590 | E | 97.9 | Very high | 97.9 | Very high | 144 Ų | 144 | 46.6 Ų | 46.6 | 67% | 0.673 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -62.7 | -44.5 | 174.8 | -174.1 | -178.7 | 171.7 | 0 | 0 | 111.5 | D586 Y587 I592 D593 E594 | D586-E590 PolarHBondContact O-N 3Å; Y587-E590 PolarHBondContact O-N 3.18Å; E590-I592 PolarHBondContact O-N 3.37Å; E590-D593 PolarHBondContact O-N 3.02Å; E590-E594 VanDerWaalsContact O-CB 3.3Å; E590-E594 WeakPolarHBondContact O-CB 3.32Å; E590-E594 PolarHBondContact O-N 3.02Å |
| 591 | D | 97.7 | Very high | 97.9 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -42.3 | -178.7 | -172.2 | 67.7 | 0 | 0 | 0 | 112.3 | R442 K466 Y587 T595 | R442-D591 IonicContact CZ-OD1 3.62Å; R442-D591 IonicContact NH1-OD1 3.01Å; R442-D591 PolarHBondContact NH1-OD1 2.93Å; R442-D591 IonicContact NH1-OD2 3.52Å; R442-D591 IonicContact NH2-OD1 3.3Å; R442-D591 PolarHBondContact NH2-OD1 3.08Å; R442-D591 IonicContact NH2-OD2 3.42Å; K466-D591 WeakPolarHBondContact CE-OD1 3.46Å; K466-D591 PolarHBondContact NZ-O 2.82Å; K466-D591 IonicContact NZ-OD1 3.84Å; K466-D591 PolarHBondContact NZ-OD1 3.14Å; K466-D591 IonicContact NZ-OD2 3.37Å; Y587-D591 HydrophobicContact CD1-CB 4.4Å; Y587-D591 HydrophobicContact CE1-CB 4.23Å; Y587-D591 VanDerWaalsContact O-CB 3.27Å; Y587-D591 WeakPolarHBondContact O-CB 3.49Å; Y587-D591 PolarHBondContact O-N 2.78Å; D591-T595 WeakPolarHBondContact O-CB 3.35Å; D591-T595 PolarHBondContact O-N 3.03Å; D591-T595 PolarHBondContact O-OG1 2.94Å |
| 592 | I | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.1 | -40.4 | 178.3 | -166 | 59.5 | 0 | 0 | 0 | 111.7 | L588 L589 E590 E594 T595 M596 L615 R619 I622 | L588-I592 WeakPolarHBondContact O-CB 3.2Å; L588-I592 VanDerWaalsContact O-CG2 3.27Å; L588-I592 WeakPolarHBondContact O-CG2 3.33Å; L588-I592 PolarHBondContact O-N 3.46Å; L589-I592 WeakPolarHBondContact O-CG2 3.49Å; E590-I592 PolarHBondContact O-N 3.37Å; I592-E594 PolarHBondContact O-N 3.48Å; I592-T595 PolarHBondContact O-N 3.27Å; I592-M596 HydrophobicContact CG1-CG 4.48Å; I592-M596 HydrophobicContact CG1-SD 4.26Å; I592-M596 WeakPolarHBondContact O-CB 3.09Å; I592-M596 VanDerWaalsContact O-CG 3.29Å; I592-M596 WeakPolarHBondContact O-CG 3.27Å; I592-M596 PolarHBondContact O-N 3.39Å; I592-L615 HydrophobicContact CD1-CB 4.33Å; I592-L615 HydrophobicContact CD1-CD2 3.49Å; I592-L615 VanDerWaalsContact CD1-CD2 3.49Å; I592-R619 HydrophobicContact CG1-CB 4.12Å; I592-R619 HydrophobicContact CG2-CB 4.08Å; I592-R619 HydrophobicContact CG2-CG 3.95Å; I592-I622 HydrophobicContact CB-CD1 4.39Å; I592-I622 HydrophobicContact CG2-CD1 4.2Å |
| 593 | D | 98.4 | Very high | 97.9 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 35% | 0.353 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 177.8 | -76.9 | -11.4 | 0 | 0 | 0 | 111.1 | L589 E590 K597 R619 | L589-D593 VanDerWaalsContact O-CB 3.29Å; L589-D593 WeakPolarHBondContact O-CB 3.33Å; L589-D593 VanDerWaalsContact O-CG 3.26Å; L589-D593 PolarHBondContact O-N 3.5Å; E590-D593 PolarHBondContact O-N 3.02Å; D593-K597 WeakPolarHBondContact O-CB 3.25Å; D593-K597 PolarHBondContact O-N 3.29Å; D593-R619 WeakPolarHBondContact OD1-CD 3.47Å; D593-R619 IonicContact OD1-CZ 3.25Å; D593-R619 IonicContact OD1-NE 2.94Å; D593-R619 PolarHBondContact OD1-NE 3.13Å; D593-R619 IonicContact OD1-NH2 2.69Å; D593-R619 PolarHBondContact OD1-NH2 2.88Å; D593-R619 IonicContact OD2-NE 2.7Å; D593-R619 IonicContact OD2-NH2 2.72Å; D593-R619 PolarHBondContact OD2-NH2 2.84Å |
| 594 | E | 97.7 | Very high | 97.8 | Very high | 81 Ų | 81 | 46.9 Ų | 46.9 | 38% | 0.379 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.6 | -39.6 | 173.9 | -170.5 | -79.1 | 148.2 | 0 | 0 | 111.7 | K466 H482 E590 I592 K597 Y598 | K466-E594 VanDerWaalsContact CE-OE2 3.29Å; K466-E594 WeakPolarHBondContact CE-OE2 3.38Å; K466-E594 IonicContact NZ-OE2 3.51Å; K466-E594 PolarHBondContact NZ-OE2 3.14Å; H482-E594 IonicContact CD2-OE1 3.83Å; H482-E594 IonicContact CE1-OE2 3.93Å; H482-E594 VanDerWaalsContact NE2-CD 3.27Å; H482-E594 IonicContact NE2-OE1 3.9Å; H482-E594 PolarHBondContact NE2-OE1 3.45Å; H482-E594 IonicContact NE2-OE2 2.67Å; H482-E594 PolarHBondContact NE2-OE2 2.99Å; E590-E594 VanDerWaalsContact O-CB 3.3Å; E590-E594 WeakPolarHBondContact O-CB 3.32Å; E590-E594 PolarHBondContact O-N 3.02Å; I592-E594 PolarHBondContact O-N 3.48Å; E594-K597 PolarHBondContact O-N 2.97Å; E594-Y598 WeakPolarHBondContact O-CB 3.37Å; E594-Y598 PolarHBondContact O-N 3.23Å |
| 595 | T | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.6 | -45.3 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | A464 K466 D591 I592 K597 Y598 L599 L615 | A464-T595 HydrophobicContact CB-CG2 3.78Å; K466-T595 WeakPolarHBondContact CE-OG1 3.4Å; K466-T595 PolarHBondContact NZ-OG1 2.94Å; D591-T595 WeakPolarHBondContact O-CB 3.35Å; D591-T595 PolarHBondContact O-N 3.03Å; D591-T595 PolarHBondContact O-OG1 2.94Å; I592-T595 PolarHBondContact O-N 3.27Å; T595-K597 VanDerWaalsContact C-N 3.32Å; T595-K597 PolarHBondContact O-N 3.09Å; T595-Y598 PolarHBondContact O-N 3.17Å; T595-L599 HydrophobicContact CG2-CD1 4.01Å; T595-L599 HydrophobicContact CG2-CG 4.45Å; T595-L599 WeakPolarHBondContact O-CG 3.44Å; T595-L599 PolarHBondContact O-N 2.81Å; T595-L615 HydrophobicContact CG2-CD2 4.09Å |
| 596 | M | 98.3 | Very high | 97.8 | Very high | 28 Ų | 28 | 49.2 Ų | 49.2 | 14% | 0.138 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -46.2 | 176.1 | -72.5 | 173.6 | 65.9 | 0 | 0 | 110.4 | I592 L599 H600 L615 N616 | I592-M596 HydrophobicContact CG1-CG 4.48Å; I592-M596 HydrophobicContact CG1-SD 4.26Å; I592-M596 WeakPolarHBondContact O-CB 3.09Å; I592-M596 VanDerWaalsContact O-CG 3.29Å; I592-M596 WeakPolarHBondContact O-CG 3.27Å; I592-M596 PolarHBondContact O-N 3.39Å; M596-L599 PolarHBondContact O-N 3.38Å; M596-H600 WeakPolarHBondContact O-CB 3.25Å; M596-H600 PolarHBondContact O-CD2 3.23Å; M596-H600 PolarHBondContact O-N 3.42Å; M596-L615 HydrophobicContact CG-CB 3.85Å; M596-L615 HydrophobicContact CG-CD1 4.21Å; M596-L615 HydrophobicContact CG-CG 4.44Å; M596-L615 HydrophobicContact SD-CB 4.36Å; M596-N616 WeakPolarHBondContact CE-OD1 3.22Å |
| 597 | K | 97.9 | Very high | 97.8 | Very high | 123 Ų | 123 | 43.4 Ų | 43.4 | 54% | 0.535 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.5 | -50.1 | 174.9 | -178.8 | -178.3 | 175 | -175 | 0 | 111.6 | D593 E594 T595 L599 H600 E601 | D593-K597 WeakPolarHBondContact O-CB 3.25Å; D593-K597 PolarHBondContact O-N 3.29Å; E594-K597 PolarHBondContact O-N 2.97Å; T595-K597 VanDerWaalsContact C-N 3.32Å; T595-K597 PolarHBondContact O-N 3.09Å; K597-L599 PolarHBondContact O-N 3.13Å; K597-H600 PolarHBondContact O-N 3.14Å; K597-E601 WeakPolarHBondContact CE-OE1 3.46Å; K597-E601 HydrophobicContact CG-CG 4.32Å; K597-E601 IonicContact NZ-OE1 3.47Å; K597-E601 WeakPolarHBondContact O-CB 3.38Å; K597-E601 WeakPolarHBondContact O-CG 3.32Å; K597-E601 PolarHBondContact O-N 2.81Å |
| 598 | Y | 98.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 41.7 Ų | 41.7 | 8% | 0.075 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.2 | -49.8 | 178.9 | 168.5 | -94.9 | 0 | 0 | 0 | 112 | V114 H482 E594 T595 E601 Q602 | V114-Y598 HydrophobicContact CG2-CE2 4.17Å; H482-Y598 HydrophobicContact CB-CD1 4.09Å; H482-Y598 HydrophobicContact CB-CD2 4.07Å; H482-Y598 HydrophobicContact CB-CE1 3.6Å; H482-Y598 HydrophobicContact CB-CE2 3.54Å; H482-Y598 HydrophobicContact CB-CG 4.32Å; H482-Y598 AromaticContact CD2-CD1 3.9Å; H482-Y598 AromaticContact CD2-CD2 3.35Å; H482-Y598 WeakPolarHBondContact CD2-CD2 3.04Å; H482-Y598 AromaticContact CD2-CE2 3.75Å; H482-Y598 AromaticContact CD2-CG 3.43Å; H482-Y598 VanDerWaalsContact CD2-CG 3.43Å; H482-Y598 AromaticContact CE1-CD1 3.5Å; H482-Y598 VanDerWaalsContact CE1-CD1 3.5Å; H482-Y598 WeakPolarHBondContact CE1-CD1 3.2Å; H482-Y598 AromaticContact CE1-CG 3.5Å; H482-Y598 AromaticContact CG-CD1 3.52Å; H482-Y598 AromaticContact CG-CD2 3.63Å; H482-Y598 AromaticContact CG-CE1 3.58Å; H482-Y598 AromaticContact CG-CE2 3.65Å; H482-Y598 AromaticContact CG-CG 3.56Å; H482-Y598 AromaticContact CG-CZ 3.65Å; H482-Y598 AromaticContact ND1-CD1 3.31Å; H482-Y598 VanDerWaalsContact ND1-CD1 3.31Å; H482-Y598 WeakPolarHBondContact ND1-CD1 3.49Å; H482-Y598 AromaticContact ND1-CE1 3.61Å; H482-Y598 AromaticContact ND1-CG 3.67Å; H482-Y598 WeakPolarHBondContact NE2-CB 3.49Å; H482-Y598 AromaticContact NE2-CD1 3.89Å; H482-Y598 AromaticContact NE2-CD2 3.79Å; H482-Y598 AromaticContact NE2-CG 3.41Å; E594-Y598 WeakPolarHBondContact O-CB 3.37Å; E594-Y598 PolarHBondContact O-N 3.23Å; T595-Y598 PolarHBondContact O-N 3.17Å; Y598-E601 PolarHBondContact O-N 3.44Å; Y598-Q602 HydrophobicContact CD2-CG 3.74Å; Y598-Q602 HydrophobicContact CE2-CB 4.31Å; Y598-Q602 HydrophobicContact CE2-CG 3.53Å; Y598-Q602 HydrophobicContact CG-CG 4.36Å; Y598-Q602 VanDerWaalsContact O-CB 3.26Å; Y598-Q602 WeakPolarHBondContact O-CB 3.38Å; Y598-Q602 WeakPolarHBondContact O-CG 3.21Å; Y598-Q602 PolarHBondContact O-N 3.27Å |
| 599 | L | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -39.1 | -178.4 | -70.5 | 173.8 | 0 | 0 | 0 | 111.6 | F495 T595 M596 K597 E601 V603 G604 L607 I611 L615 | F495-L599 HydrophobicContact CE1-CD2 4.45Å; T595-L599 HydrophobicContact CG2-CD1 4.01Å; T595-L599 HydrophobicContact CG2-CG 4.45Å; T595-L599 WeakPolarHBondContact O-CG 3.44Å; T595-L599 PolarHBondContact O-N 2.81Å; M596-L599 PolarHBondContact O-N 3.38Å; K597-L599 PolarHBondContact O-N 3.13Å; L599-E601 VanDerWaalsContact C-N 3.35Å; L599-V603 HydrophobicContact CD2-CG2 3.97Å; L599-V603 WeakPolarHBondContact O-CA 3.14Å; L599-V603 VanDerWaalsContact O-CB 3.24Å; L599-V603 WeakPolarHBondContact O-CB 3.3Å; L599-V603 WeakPolarHBondContact O-CG2 3.01Å; L599-V603 PolarHBondContact O-N 3.37Å; L599-G604 PolarHBondContact O-N 3.14Å; L599-L607 HydrophobicContact CB-CD1 4.11Å; L599-L607 HydrophobicContact CB-CD2 4.02Å; L599-L607 HydrophobicContact CD1-CD1 4.39Å; L599-I611 HydrophobicContact CD1-CG2 4.44Å; L599-L615 HydrophobicContact CD1-CD1 3.61Å |
| 600 | H | 97.3 | Very high | 97.8 | Very high | 70 Ų | 70 | 48 Ų | 48 | 32% | 0.324 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 172.5 | -81.7 | -50.5 | 0 | 0 | 0 | 112.8 | M596 K597 G604 Q612 | M596-H600 WeakPolarHBondContact O-CB 3.25Å; M596-H600 PolarHBondContact O-CD2 3.23Å; M596-H600 PolarHBondContact O-N 3.42Å; K597-H600 PolarHBondContact O-N 3.14Å; H600-G604 WeakPolarHBondContact O-CA 3.4Å; H600-G604 PolarHBondContact O-N 2.73Å; H600-G604 VanDerWaalsContact O-N 3.15Å; H600-Q612 PolarHBondContact CE1-NE2 3.25Å; H600-Q612 PolarHBondContact NE2-NE2 2.83Å |
| 601 | E | 97.7 | Very high | 97.9 | Very high | 64 Ų | 64 | 41.1 Ų | 41.1 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -75.1 | -38.4 | -179.1 | -76.4 | -178.8 | 174.3 | 0 | 0 | 112.9 | V107 A108 V111 K597 Y598 L599 | V107-E601 WeakPolarHBondContact CG1-O 3.5Å; A108-E601 HydrophobicContact CB-CB 4.41Å; A108-E601 HydrophobicContact CB-CG 4.45Å; A108-E601 PolarHBondContact N-O 3.12Å; V111-E601 HydrophobicContact CG1-CB 4.21Å; V111-E601 HydrophobicContact CG2-CB 4.05Å; V111-E601 HydrophobicContact CG2-CG 4.06Å; K597-E601 WeakPolarHBondContact CE-OE1 3.46Å; K597-E601 HydrophobicContact CG-CG 4.32Å; K597-E601 IonicContact NZ-OE1 3.47Å; K597-E601 WeakPolarHBondContact O-CB 3.38Å; K597-E601 WeakPolarHBondContact O-CG 3.32Å; K597-E601 PolarHBondContact O-N 2.81Å; Y598-E601 PolarHBondContact O-N 3.44Å; L599-E601 VanDerWaalsContact C-N 3.35Å |
| 602 | Q | 98 | Very high | 97.9 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -95.4 | -25.7 | -172.4 | -66.5 | -71.1 | -31.3 | 0 | 0 | 114.3 | P105 K112 V114 L115 Y598 | P105-Q602 WeakPolarHBondContact CB-O 3.15Å; K112-Q602 PolarHBondContact O-NE2 2.62Å; V114-Q602 HydrophobicContact CG2-CG 4.44Å; L115-Q602 HydrophobicContact CD1-CB 3.84Å; Y598-Q602 HydrophobicContact CD2-CG 3.74Å; Y598-Q602 HydrophobicContact CE2-CB 4.31Å; Y598-Q602 HydrophobicContact CE2-CG 3.53Å; Y598-Q602 HydrophobicContact CG-CG 4.36Å; Y598-Q602 VanDerWaalsContact O-CB 3.26Å; Y598-Q602 WeakPolarHBondContact O-CB 3.38Å; Y598-Q602 WeakPolarHBondContact O-CG 3.21Å; Y598-Q602 PolarHBondContact O-N 3.27Å |
| 603 | V | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -109.6 | -27.8 | -179.5 | -161.4 | 0 | 0 | 0 | 0 | 111.2 | P105 L115 F495 L599 K605 D606 L607 | P105-V603 HydrophobicContact CB-CG1 4.22Å; P105-V603 HydrophobicContact CG-CG1 4.35Å; L115-V603 HydrophobicContact CD1-CG2 3.87Å; F495-V603 HydrophobicContact CD1-CG2 3.83Å; F495-V603 HydrophobicContact CE1-CG2 4.25Å; L599-V603 HydrophobicContact CD2-CG2 3.97Å; L599-V603 WeakPolarHBondContact O-CA 3.14Å; L599-V603 VanDerWaalsContact O-CB 3.24Å; L599-V603 WeakPolarHBondContact O-CB 3.3Å; L599-V603 WeakPolarHBondContact O-CG2 3.01Å; L599-V603 PolarHBondContact O-N 3.37Å; V603-K605 PolarHBondContact O-N 2.81Å; V603-D606 HydrophobicContact CG1-CB 4.06Å; V603-D606 WeakPolarHBondContact O-CB 3.4Å; V603-D606 PolarHBondContact O-N 2.79Å; V603-D606 VanDerWaalsContact O-N 3.09Å; V603-L607 HydrophobicContact CB-CB 4.12Å; V603-L607 HydrophobicContact CB-CD1 4.48Å; V603-L607 HydrophobicContact CG1-CB 4.08Å |
| 604 | G | 96 | Very high | 97.9 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 22% | 0.216 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | 59.5 | -130.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D106 L599 H600 D606 L607 | D106-G604 WeakPolarHBondContact O-CA 3.33Å; L599-G604 PolarHBondContact O-N 3.14Å; H600-G604 WeakPolarHBondContact O-CA 3.4Å; H600-G604 PolarHBondContact O-N 2.73Å; H600-G604 VanDerWaalsContact O-N 3.15Å; G604-D606 PolarHBondContact O-N 2.84Å; G604-L607 WeakPolarHBondContact O-CB 3.41Å; G604-L607 PolarHBondContact O-N 3.36Å |
| 605 | K | 96 | Very high | 97.9 | Very high | 149 Ų | 149 | 41.1 Ų | 41.1 | 65% | 0.648 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -70.4 | -14.9 | 179.7 | 76.4 | -171 | -178.5 | -152.7 | 0 | 113.8 | D106 V603 L607 | D106-K605 HydrophobicContact CB-CD 4.21Å; D106-K605 HydrophobicContact CB-CG 4.07Å; D106-K605 VanDerWaalsContact OD2-CD 3.27Å; D106-K605 WeakPolarHBondContact OD2-CD 3.18Å; D106-K605 WeakPolarHBondContact OD2-CE 3.46Å; D106-K605 IonicContact OD2-NZ 3.74Å; D106-K605 PolarHBondContact OD2-NZ 3.34Å; V603-K605 PolarHBondContact O-N 2.81Å; K605-L607 VanDerWaalsContact C-N 3.27Å |
| 606 | D | 97.6 | Very high | 97.9 | Very high | 16 Ų | 16 | 43.5 Ų | 43.5 | 9% | 0.086 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -84.2 | -6.1 | -179.7 | -56.9 | -38.9 | 0 | 0 | 0 | 112 | H101 P105 D106 N494 G496 V603 G604 P608 | H101-D606 IonicContact CD2-OD1 2.68Å; H101-D606 IonicContact CD2-OD2 3.49Å; H101-D606 PolarHBondContact CD2-OD2 2.8Å; H101-D606 IonicContact CE1-OD1 2.71Å; H101-D606 PolarHBondContact CE1-OD1 3.48Å; H101-D606 IonicContact NE2-OD1 2.82Å; H101-D606 PolarHBondContact NE2-OD1 2.95Å; H101-D606 IonicContact NE2-OD2 3.89Å; H101-D606 PolarHBondContact NE2-OD2 3.2Å; P105-D606 VanDerWaalsContact CA-OD2 3.27Å; P105-D606 WeakPolarHBondContact CA-OD2 3Å; P105-D606 HydrophobicContact CB-CB 4.46Å; D106-D606 PolarHBondContact N-OD2 3.2Å; N494-D606 PolarHBondContact ND2-OD2 2.84Å; G496-D606 WeakPolarHBondContact CA-O 3.33Å; V603-D606 HydrophobicContact CG1-CB 4.06Å; V603-D606 WeakPolarHBondContact O-CB 3.4Å; V603-D606 PolarHBondContact O-N 2.79Å; V603-D606 VanDerWaalsContact O-N 3.09Å; G604-D606 PolarHBondContact O-N 2.84Å; D606-P608 VanDerWaalsContact O-CD 3.28Å; D606-P608 WeakPolarHBondContact O-CD 3.37Å |
| 607 | L | 98.2 | Very high | 97.9 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -65.4 | 118.8 | 175.4 | -177.5 | 63.4 | 0 | 0 | 0 | 108.6 | L499 L599 V603 G604 K605 D609 I611 Q612 | L499-L607 HydrophobicContact CD1-CD1 4.38Å; L599-L607 HydrophobicContact CB-CD1 4.11Å; L599-L607 HydrophobicContact CB-CD2 4.02Å; L599-L607 HydrophobicContact CD1-CD1 4.39Å; V603-L607 HydrophobicContact CB-CB 4.12Å; V603-L607 HydrophobicContact CB-CD1 4.48Å; V603-L607 HydrophobicContact CG1-CB 4.08Å; G604-L607 WeakPolarHBondContact O-CB 3.41Å; G604-L607 PolarHBondContact O-N 3.36Å; K605-L607 VanDerWaalsContact C-N 3.27Å; L607-D609 PolarHBondContact O-N 3.41Å; L607-I611 HydrophobicContact CD1-CB 4.16Å; L607-I611 HydrophobicContact CD1-CG2 3.96Å; L607-Q612 HydrophobicContact CD2-CB 4.37Å |
| 608 | P | 98.3 | Very high | 98 | Very high | 8 Ų | 8 | 40 Ų | 40 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | trans | -62.4 | 134.4 | -179.2 | -23 | 34.2 | 0 | 0 | 0 | 111.4 | L499 N500 L503 D606 V610 I611 Q612 | L499-P608 HydrophobicContact CB-CG 3.83Å; N500-P608 WeakPolarHBondContact OD1-CB 3.24Å; N500-P608 VanDerWaalsContact OD1-CG 3.28Å; N500-P608 WeakPolarHBondContact OD1-CG 3.23Å; L503-P608 HydrophobicContact CD1-CB 3.76Å; L503-P608 HydrophobicContact CD1-CG 4.09Å; D606-P608 VanDerWaalsContact O-CD 3.28Å; D606-P608 WeakPolarHBondContact O-CD 3.37Å; P608-V610 PolarHBondContact O-N 2.98Å; P608-I611 HydrophobicContact CB-CG1 4.15Å; P608-I611 HydrophobicContact CG-CG1 4.25Å; P608-I611 WeakPolarHBondContact O-CB 3.37Å; P608-I611 PolarHBondContact O-N 2.96Å; P608-Q612 PolarHBondContact O-N 2.85Å; P608-Q612 VanDerWaalsContact O-N 3.17Å | ||
| 609 | D | 98.3 | Very high | 98 | Very high | 117 Ų | 117 | 42.7 Ų | 42.7 | 63% | 0.626 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -51.6 | -34.4 | 177.7 | -65.8 | -15.1 | 0 | 0 | 0 | 112.3 | L607 I611 Q612 N613 | L607-D609 PolarHBondContact O-N 3.41Å; D609-I611 VanDerWaalsContact C-N 3.33Å; D609-I611 PolarHBondContact O-N 3.34Å; D609-Q612 PolarHBondContact O-N 3.06Å; D609-N613 WeakPolarHBondContact O-CB 3.49Å; D609-N613 PolarHBondContact O-N 2.76Å; D609-N613 PolarHBondContact O-ND2 2.93Å; D609-N613 VanDerWaalsContact O-ND2 3.12Å |
| 610 | V | 98.4 | Very high | 98 | Very high | 51 Ų | 51 | 48.2 Ų | 48.2 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.5 | -44.4 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | K456 L503 P608 N613 E614 | K456-V610 HydrophobicContact CB-CG1 3.86Å; K456-V610 HydrophobicContact CD-CG1 3.8Å; K456-V610 HydrophobicContact CG-CG1 3.83Å; L503-V610 HydrophobicContact CD1-CB 4.06Å; L503-V610 HydrophobicContact CD1-CG1 4.39Å; L503-V610 HydrophobicContact CD2-CG1 3.96Å; P608-V610 PolarHBondContact O-N 2.98Å; V610-N613 PolarHBondContact O-N 3.3Å; V610-E614 WeakPolarHBondContact O-CG 3.39Å; V610-E614 PolarHBondContact O-N 2.76Å |
| 611 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.3 | -41.6 | 178.8 | -57 | -59.8 | 0 | 0 | 0 | 110.1 | V459 M460 A463 L499 L503 L599 L607 P608 D609 N613 E614 L615 | V459-I611 HydrophobicContact CB-CD1 4.21Å; V459-I611 HydrophobicContact CG1-CD1 3.86Å; M460-I611 HydrophobicContact CB-CD1 4.06Å; M460-I611 HydrophobicContact CB-CG2 4.38Å; M460-I611 HydrophobicContact CG-CG2 4.18Å; A463-I611 HydrophobicContact CB-CG2 4.44Å; L499-I611 HydrophobicContact CD1-CG1 4.43Å; L503-I611 HydrophobicContact CD1-CD1 4.24Å; L503-I611 HydrophobicContact CD1-CG1 4.2Å; L503-I611 HydrophobicContact CD2-CD1 4.26Å; L599-I611 HydrophobicContact CD1-CG2 4.44Å; L607-I611 HydrophobicContact CD1-CB 4.16Å; L607-I611 HydrophobicContact CD1-CG2 3.96Å; P608-I611 HydrophobicContact CB-CG1 4.15Å; P608-I611 HydrophobicContact CG-CG1 4.25Å; P608-I611 WeakPolarHBondContact O-CB 3.37Å; P608-I611 PolarHBondContact O-N 2.96Å; D609-I611 VanDerWaalsContact C-N 3.33Å; D609-I611 PolarHBondContact O-N 3.34Å; I611-N613 VanDerWaalsContact C-N 3.32Å; I611-N613 PolarHBondContact O-N 3.32Å; I611-E614 PolarHBondContact O-N 3.02Å; I611-L615 HydrophobicContact CG2-CD1 4.15Å; I611-L615 VanDerWaalsContact O-CG 3.31Å; I611-L615 WeakPolarHBondContact O-CG 3.22Å; I611-L615 PolarHBondContact O-N 3.08Å |
| 612 | Q | 98.1 | Very high | 98.1 | Very high | 61 Ų | 61 | 44 Ų | 44 | 29% | 0.285 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 176.5 | -166.1 | -176.6 | 19.6 | 0 | 0 | 111.7 | H600 L607 P608 D609 L615 N616 | H600-Q612 PolarHBondContact CE1-NE2 3.25Å; H600-Q612 PolarHBondContact NE2-NE2 2.83Å; L607-Q612 HydrophobicContact CD2-CB 4.37Å; P608-Q612 PolarHBondContact O-N 2.85Å; P608-Q612 VanDerWaalsContact O-N 3.17Å; D609-Q612 PolarHBondContact O-N 3.06Å; Q612-L615 PolarHBondContact O-N 3.19Å; Q612-N616 PolarHBondContact O-N 3.26Å; Q612-N616 PolarHBondContact O-ND2 3.11Å |
| 613 | N | 98.4 | Very high | 98.1 | Very high | 83 Ų | 83 | 47.3 Ų | 47.3 | 44% | 0.444 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 177.2 | -70 | -29.2 | 0 | 0 | 0 | 112 | D609 V610 I611 L615 N616 N617 | D609-N613 WeakPolarHBondContact O-CB 3.49Å; D609-N613 PolarHBondContact O-N 2.76Å; D609-N613 PolarHBondContact O-ND2 2.93Å; D609-N613 VanDerWaalsContact O-ND2 3.12Å; V610-N613 PolarHBondContact O-N 3.3Å; I611-N613 VanDerWaalsContact C-N 3.32Å; I611-N613 PolarHBondContact O-N 3.32Å; N613-L615 VanDerWaalsContact C-N 3.33Å; N613-L615 PolarHBondContact O-N 2.94Å; N613-N616 PolarHBondContact O-N 3.47Å; N613-N617 WeakPolarHBondContact O-CB 3.18Å; N613-N617 PolarHBondContact O-N 3.04Å; N613-N617 PolarHBondContact O-ND2 2.8Å; N613-N617 PolarHBondContact O-OD1 3.22Å |
| 614 | E | 98.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 51.6 Ų | 51.6 | 12% | 0.121 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 175.8 | -75.1 | -53.4 | 132.5 | 0 | 0 | 112.8 | K456 H457 M460 V610 I611 Q618 | K456-E614 HydrophobicContact CB-CG 4.47Å; H457-E614 IonicContact CD2-OE2 3.5Å; H457-E614 PolarHBondContact CD2-OE2 3.15Å; M460-E614 HydrophobicContact CB-CB 3.83Å; M460-E614 HydrophobicContact CB-CG 4.4Å; M460-E614 HydrophobicContact CE-CB 4.25Å; M460-E614 HydrophobicContact CG-CB 3.76Å; V610-E614 WeakPolarHBondContact O-CG 3.39Å; V610-E614 PolarHBondContact O-N 2.76Å; I611-E614 PolarHBondContact O-N 3.02Å; E614-Q618 WeakPolarHBondContact O-CB 3.44Å; E614-Q618 PolarHBondContact O-N 2.9Å |
| 615 | L | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 175.3 | -67 | 163.5 | 0 | 0 | 0 | 111.7 | M460 I592 T595 M596 L599 I611 Q612 N613 Q618 R619 | M460-L615 HydrophobicContact CG-CD2 3.9Å; M460-L615 HydrophobicContact CG-CG 3.95Å; M460-L615 HydrophobicContact SD-CD2 3.72Å; M460-L615 HydrophobicContact SD-CG 4.38Å; I592-L615 HydrophobicContact CD1-CB 4.33Å; I592-L615 HydrophobicContact CD1-CD2 3.49Å; I592-L615 VanDerWaalsContact CD1-CD2 3.49Å; T595-L615 HydrophobicContact CG2-CD2 4.09Å; M596-L615 HydrophobicContact CG-CB 3.85Å; M596-L615 HydrophobicContact CG-CD1 4.21Å; M596-L615 HydrophobicContact CG-CG 4.44Å; M596-L615 HydrophobicContact SD-CB 4.36Å; L599-L615 HydrophobicContact CD1-CD1 3.61Å; I611-L615 HydrophobicContact CG2-CD1 4.15Å; I611-L615 VanDerWaalsContact O-CG 3.31Å; I611-L615 WeakPolarHBondContact O-CG 3.22Å; I611-L615 PolarHBondContact O-N 3.08Å; Q612-L615 PolarHBondContact O-N 3.19Å; N613-L615 VanDerWaalsContact C-N 3.33Å; N613-L615 PolarHBondContact O-N 2.94Å; L615-Q618 PolarHBondContact O-N 2.79Å; L615-R619 WeakPolarHBondContact O-CB 3.41Å; L615-R619 PolarHBondContact O-N 2.8Å |
| 616 | N | 98.5 | Very high | 98.1 | Very high | 51 Ų | 51 | 52.7 Ų | 52.7 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 175.8 | -73 | -29.8 | 0 | 0 | 0 | 111.1 | M596 Q612 N613 Q618 R619 E620 | M596-N616 WeakPolarHBondContact CE-OD1 3.22Å; Q612-N616 PolarHBondContact O-N 3.26Å; Q612-N616 PolarHBondContact O-ND2 3.11Å; N613-N616 PolarHBondContact O-N 3.47Å; N616-Q618 VanDerWaalsContact C-N 3.34Å; N616-Q618 PolarHBondContact O-N 2.62Å; N616-R619 WeakPolarHBondContact O-CB 3.47Å; N616-R619 PolarHBondContact O-N 2.92Å; N616-E620 WeakPolarHBondContact O-CG 3.5Å; N616-E620 PolarHBondContact O-N 3.23Å |
| 617 | N | 98.4 | Very high | 98.1 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 34% | 0.337 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 177.8 | -67.9 | -20.7 | 0 | 0 | 0 | 111.4 | N613 E620 R621 | N613-N617 WeakPolarHBondContact O-CB 3.18Å; N613-N617 PolarHBondContact O-N 3.04Å; N613-N617 PolarHBondContact O-ND2 2.8Å; N613-N617 PolarHBondContact O-OD1 3.22Å; N617-E620 PolarHBondContact O-N 2.93Å; N617-R621 VanDerWaalsContact O-CG 3.29Å; N617-R621 WeakPolarHBondContact O-CG 3.2Å; N617-R621 PolarHBondContact O-N 3.32Å |
| 618 | Q | 98.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 176.1 | -179.4 | 167.1 | -67.9 | 0 | 0 | 111.5 | I559 E614 L615 N616 E620 R621 I622 | I559-Q618 HydrophobicContact CG2-CG 4.26Å; E614-Q618 WeakPolarHBondContact O-CB 3.44Å; E614-Q618 PolarHBondContact O-N 2.9Å; L615-Q618 PolarHBondContact O-N 2.79Å; N616-Q618 VanDerWaalsContact C-N 3.34Å; N616-Q618 PolarHBondContact O-N 2.62Å; Q618-E620 PolarHBondContact O-N 3.21Å; Q618-R621 VanDerWaalsContact CA-NH2 3.34Å; Q618-R621 PolarHBondContact O-N 2.97Å; Q618-I622 HydrophobicContact CG-CD1 3.84Å; Q618-I622 HydrophobicContact CG-CG1 4.41Å; Q618-I622 VanDerWaalsContact O-CG1 3.29Å; Q618-I622 WeakPolarHBondContact O-CG1 3.15Å; Q618-I622 PolarHBondContact O-N 2.87Å |
| 619 | R | 98.4 | Very high | 98.1 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.6 | -47.7 | 176.4 | -174.2 | -177.1 | -171.5 | -89 | -2.1 | 111.6 | I592 D593 L615 N616 R621 I622 Q623 | I592-R619 HydrophobicContact CG1-CB 4.12Å; I592-R619 HydrophobicContact CG2-CB 4.08Å; I592-R619 HydrophobicContact CG2-CG 3.95Å; D593-R619 WeakPolarHBondContact OD1-CD 3.47Å; D593-R619 IonicContact OD1-CZ 3.25Å; D593-R619 IonicContact OD1-NE 2.94Å; D593-R619 PolarHBondContact OD1-NE 3.13Å; D593-R619 IonicContact OD1-NH2 2.69Å; D593-R619 PolarHBondContact OD1-NH2 2.88Å; D593-R619 IonicContact OD2-NE 2.7Å; D593-R619 IonicContact OD2-NH2 2.72Å; D593-R619 PolarHBondContact OD2-NH2 2.84Å; L615-R619 WeakPolarHBondContact O-CB 3.41Å; L615-R619 PolarHBondContact O-N 2.8Å; N616-R619 WeakPolarHBondContact O-CB 3.47Å; N616-R619 PolarHBondContact O-N 2.92Å; R619-R621 PolarHBondContact O-N 3.35Å; R619-I622 PolarHBondContact O-N 3.21Å; R619-Q623 VanDerWaalsContact NH1-NE2 3.19Å; R619-Q623 WeakPolarHBondContact O-CG 3.48Å; R619-Q623 PolarHBondContact O-N 2.7Å |
| 620 | E | 98.5 | Very high | 98 | Very high | 117 Ų | 117 | 56.2 Ų | 56.2 | 55% | 0.547 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 176.7 | -73.1 | 178.7 | -176.7 | 0 | 0 | 112.3 | N616 N617 Q618 Q623 S624 | N616-E620 WeakPolarHBondContact O-CG 3.5Å; N616-E620 PolarHBondContact O-N 3.23Å; N617-E620 PolarHBondContact O-N 2.93Å; Q618-E620 PolarHBondContact O-N 3.21Å; E620-Q623 PolarHBondContact O-N 3.07Å; E620-S624 WeakPolarHBondContact O-CB 3.36Å; E620-S624 PolarHBondContact O-N 2.99Å; E620-S624 PolarHBondContact O-OG 3.47Å |
| 621 | R | 98.6 | Very high | 98 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 174.4 | -70.3 | -174.4 | -62.4 | -97.4 | 6.1 | 111.5 | P558 N617 Q618 R619 Q623 S624 Q625 | P558-R621 HydrophobicContact CB-CB 3.87Å; P558-R621 PolarHBondContact O-NE 2.75Å; N617-R621 VanDerWaalsContact O-CG 3.29Å; N617-R621 WeakPolarHBondContact O-CG 3.2Å; N617-R621 PolarHBondContact O-N 3.32Å; Q618-R621 VanDerWaalsContact CA-NH2 3.34Å; Q618-R621 PolarHBondContact O-N 2.97Å; R619-R621 PolarHBondContact O-N 3.35Å; R621-Q623 VanDerWaalsContact C-N 3.31Å; R621-Q623 PolarHBondContact O-N 2.88Å; R621-S624 PolarHBondContact O-N 3.06Å; R621-S624 PolarHBondContact O-OG 3.46Å; R621-Q625 WeakPolarHBondContact O-CB 3.38Å; R621-Q625 WeakPolarHBondContact O-CG 3.36Å; R621-Q625 PolarHBondContact O-N 3.25Å |
| 622 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 178 | -67.4 | 161.1 | 0 | 0 | 0 | 110.3 | P558 I559 K585 L588 L589 I592 Q618 R619 L626 | P558-I622 HydrophobicContact CB-CB 4.48Å; P558-I622 HydrophobicContact CB-CG1 3.82Å; I559-I622 HydrophobicContact CG2-CD1 4.12Å; I559-I622 HydrophobicContact CG2-CG1 4.16Å; K585-I622 HydrophobicContact CG-CG2 4.4Å; L588-I622 HydrophobicContact CB-CD1 4Å; L588-I622 HydrophobicContact CB-CG1 4.36Å; L588-I622 HydrophobicContact CB-CG2 3.94Å; L589-I622 HydrophobicContact CD2-CB 4.12Å; L589-I622 HydrophobicContact CD2-CG2 3.5Å; L589-I622 HydrophobicContact CG-CG2 3.67Å; I592-I622 HydrophobicContact CB-CD1 4.39Å; I592-I622 HydrophobicContact CG2-CD1 4.2Å; Q618-I622 HydrophobicContact CG-CD1 3.84Å; Q618-I622 HydrophobicContact CG-CG1 4.41Å; Q618-I622 VanDerWaalsContact O-CG1 3.29Å; Q618-I622 WeakPolarHBondContact O-CG1 3.15Å; Q618-I622 PolarHBondContact O-N 2.87Å; R619-I622 PolarHBondContact O-N 3.21Å; I622-L626 HydrophobicContact CG2-CD1 4.25Å; I622-L626 PolarHBondContact O-N 3.34Å |
| 623 | Q | 97.9 | Very high | 98 | Very high | 83 Ų | 83 | 60.2 Ų | 60.2 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | -179.9 | -72.4 | -176.3 | -39 | 0 | 0 | 113.4 | K585 L589 R619 E620 R621 | K585-Q623 PolarHBondContact NZ-O 2.81Å; L589-Q623 HydrophobicContact CD2-CG 3.46Å; L589-Q623 VanDerWaalsContact CD2-CG 3.46Å; R619-Q623 VanDerWaalsContact NH1-NE2 3.19Å; R619-Q623 WeakPolarHBondContact O-CG 3.48Å; R619-Q623 PolarHBondContact O-N 2.7Å; E620-Q623 PolarHBondContact O-N 3.07Å; R621-Q623 VanDerWaalsContact C-N 3.31Å; R621-Q623 PolarHBondContact O-N 2.88Å |
| 624 | S | 97.5 | Very high | 97.9 | Very high | 91 Ų | 91 | 58.5 Ų | 58.5 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -93.6 | -23.3 | -170.9 | 58 | 0 | 0 | 0 | 0 | 115 | E620 R621 | E620-S624 WeakPolarHBondContact O-CB 3.36Å; E620-S624 PolarHBondContact O-N 2.99Å; E620-S624 PolarHBondContact O-OG 3.47Å; R621-S624 PolarHBondContact O-N 3.06Å; R621-S624 PolarHBondContact O-OG 3.46Å |
| 625 | Q | 96.6 | Very high | 97.9 | Very high | 112 Ų | 112 | 61.2 Ų | 61.2 | 52% | 0.523 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -113.6 | -14.5 | -171.5 | -57.1 | 174.8 | 11.9 | 0 | 0 | 114.5 | P558 R621 | P558-Q625 HydrophobicContact CG-CB 4.01Å; R621-Q625 WeakPolarHBondContact O-CB 3.38Å; R621-Q625 WeakPolarHBondContact O-CG 3.36Å; R621-Q625 PolarHBondContact O-N 3.25Å |
| 626 | L | 94.7 | Very high | 97.8 | Very high | 80 Ų | 80 | 66.5 Ų | 66.5 | 42% | 0.419 | 33% | 0.332 | S | S | . | . | trans | -108.4 | 0 | 167.4 | -55.3 | 176.5 | 0 | 0 | 0 | 108.8 | P558 L583 K585 L588 I622 | P558-L626 HydrophobicContact CG-CD1 4.04Å; P558-L626 HydrophobicContact CG-CD2 3.94Å; P558-L626 HydrophobicContact CG-CG 3.69Å; L583-L626 HydrophobicContact CB-CD1 4.02Å; L583-L626 HydrophobicContact CB-CD2 4.28Å; K585-L626 HydrophobicContact CB-CB 3.91Å; K585-L626 HydrophobicContact CB-CD1 4.44Å; K585-L626 HydrophobicContact CD-CB 4.09Å; K585-L626 WeakPolarHBondContact CD-OXT 3.07Å; K585-L626 WeakPolarHBondContact CE-OXT 3.42Å; K585-L626 HydrophobicContact CG-CB 3.92Å; K585-L626 PolarHBondContact NZ-OXT 2.84Å; L588-L626 HydrophobicContact CD1-CD1 3.73Å; I622-L626 HydrophobicContact CG2-CD1 4.25Å; I622-L626 PolarHBondContact O-N 3.34Å |
Retrieved 626 of 626 residues in 2317.1 ms
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