| 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 | 34.4 | Very low | 34.4 | Very low | 249 Ų | 249 | 164.9 Ų | 164.9 | 100% | 1.227 | 88% | 0.877 | S | S | * | * | 0 | 110.2 | 0 | -76.9 | 171.3 | 174.2 | 0 | 0 | 107.4 | |||||
| 2 | M | 36.8 | Very low | 34.3 | Very low | 180 Ų | 180 | 161.3 Ų | 161.3 | 89% | 0.887 | 87% | 0.867 | S | S | * | * | trans | -83.5 | 158.2 | 177.7 | -69.3 | -169.7 | 164.1 | 0 | 0 | 110.5 | ||||
| 3 | P | 36.1 | Very low | 34.3 | Very low | 114 Ų | 114 | 157.2 Ų | 157.2 | 74% | 0.74 | 86% | 0.857 | S | S | * | * | -140.8 | 128.2 | 79.9 | 32.9 | -12.6 | 0 | 0 | 0 | 114.6 | |||||
| 4 | T | 36.2 | Very low | 34.7 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | 82.7 | 118.8 | 100.3 | 62.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 5 | A | 39 | Very low | 35.5 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77 | 143.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 6 | R | 37.4 | Very low | 36.1 | Very low | 246 Ų | 246 | 137.1 Ų | 137.1 | 93% | 0.928 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 117.7 | 165.8 | -94.1 | 172.9 | 160.1 | 177.9 | -5.4 | 109.5 | ||
| 7 | E | 36.6 | Very low | 37.2 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 118.4 | 159.6 | -90.2 | 169.3 | 152.7 | 0 | 0 | 109.6 | L9 | E7-L9 PolarHBondContact O-N 2.9Š|
| 8 | L | 33.9 | Very low | 38.8 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 85% | 0.853 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -67 | 117.3 | 167.4 | -88.5 | 121.3 | 0 | 0 | 0 | 109.3 | I10 | L8-I10 PolarHBondContact O-N 3.31Š|
| 9 | L | 31.2 | Very low | 41.1 | Very low | 165 Ų | 165 | 120.5 Ų | 120.5 | 86% | 0.864 | 66% | 0.658 | S | S | * | * | trans | -69.1 | 112.6 | 161.8 | -98.8 | 86.7 | 0 | 0 | 0 | 109 | E7 C11 | E7-L9 PolarHBondContact O-N 2.9Å; L9-C11 PolarHBondContact O-N 2.71Å | ||
| 10 | I | 31.2 | Very low | 43.6 | Very low | 149 Ų | 149 | 115 Ų | 115 | 76% | 0.764 | 63% | 0.628 | S | S | * | * | trans | -73.4 | 114.6 | 165.3 | -64.4 | 168.3 | 0 | 0 | 0 | 107.1 | L8 T12 | L8-I10 PolarHBondContact O-N 3.31Å; I10-T12 PolarHBondContact O-N 3.26Å | ||
| 11 | C | 25.5 | Very low | 45.6 | Very low | 129 Ų | 129 | 109.7 Ų | 109.7 | 87% | 0.872 | 60% | 0.6 | S | S | * | * | trans | -66.9 | 95.3 | 167.8 | -81.3 | 0 | 0 | 0 | 0 | 109.1 | L9 S13 | L9-C11 PolarHBondContact O-N 2.71Å; C11-S13 PolarHBondContact O-N 2.98Å | ||
| 12 | T | 32.7 | Very low | 48.4 | Very low | 122 Ų | 122 | 99.4 Ų | 99.4 | 75% | 0.748 | 55% | 0.551 | S | S | * | * | trans | -64.4 | 131.2 | 160.1 | 51 | 0 | 0 | 0 | 0 | 107.8 | I10 S14 | I10-T12 PolarHBondContact O-N 3.26Å; T12-S14 PolarHBondContact O-N 3.47Å | ||
| 13 | S | 35.2 | Very low | 51.3 | Low | 107 Ų | 107 | 90.8 Ų | 90.8 | 75% | 0.748 | 51% | 0.508 | S | S | * | . | trans | -52.2 | 113 | 178.5 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | C11 E15 | C11-S13 PolarHBondContact O-N 2.98Å; S13-E15 PolarHBondContact O-N 3.35Å | ||
| 14 | S | 40 | Very low | 54.2 | Low | 51 Ų | 51 | 85.4 Ų | 85.4 | 36% | 0.357 | 47% | 0.473 | S | S | . | . | trans | -65 | 102.8 | 172.9 | 58 | 0 | 0 | 0 | 0 | 108.4 | T12 R279 | T12-S14 PolarHBondContact O-N 3.47Å; S14-R279 PolarHBondContact OG-NE 3.47Å; S14-R279 VanDerWaalsContact OG-NE 3.14Å; S14-R279 PolarHBondContact OG-NH2 2.99Å | ||
| 15 | E | 45.8 | Very low | 57.1 | Low | 77 Ų | 77 | 82.6 Ų | 82.6 | 36% | 0.36 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 142.8 | 170.8 | -71.4 | 179.1 | 171 | 0 | 0 | 110.1 | S13 H17 S21 K121 | S13-E15 PolarHBondContact O-N 3.35Å; E15-H17 PolarHBondContact O-N 3.4Å; E15-S21 VanDerWaalsContact OE2-CA 3.25Å; E15-S21 WeakPolarHBondContact OE2-CA 3.25Å; E15-S21 VanDerWaalsContact OE2-CB 3.22Å; E15-S21 WeakPolarHBondContact OE2-CB 3.32Å; E15-K121 WeakPolarHBondContact OE2-CE 3.33Å; E15-K121 IonicContact OE2-NZ 3.96Å; E15-K121 PolarHBondContact OE2-NZ 2.77Å |
| 16 | P | 45.8 | Very low | 59.7 | Low | 23 Ų | 23 | 81.5 Ų | 81.5 | 15% | 0.149 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 135 | 179.6 | 18.9 | -29.3 | 0 | 0 | 0 | 111.2 | G18 C19 | P16-G18 PolarHBondContact O-N 3.37Å; P16-C19 HydrophobicContact CG-CB 4.17Å; P16-C19 PolarHBondContact O-N 2.78Å |
| 17 | H | 55.2 | Low | 62.5 | Low | 79 Ų | 79 | 70.4 Ų | 70.4 | 37% | 0.366 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 126.1 | -178.9 | -69.1 | -96.5 | 0 | 0 | 0 | 110.4 | E15 Q280 | E15-H17 PolarHBondContact O-N 3.4Å; H17-Q280 HydrophobicContact CB-CG 4.31Å; H17-Q280 PolarHBondContact CD2-O 2.86Å; H17-Q280 PolarHBondContact O-OE1 2.88Å |
| 18 | G | 65.5 | Low | 65.1 | Low | 6 Ų | 6 | 66.8 Ų | 66.8 | 6% | 0.062 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 103.3 | -1.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P16 W100 | P16-G18 PolarHBondContact O-N 3.37Å; G18-W100 WeakPolarHBondContact O-CH2 3.25Å |
| 19 | C | 83.1 | Confident | 67.8 | Low | 10 Ų | 10 | 63.4 Ų | 63.4 | 7% | 0.068 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -109.9 | 140.9 | 171.6 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | P16 W100 K121 C165 | P16-C19 HydrophobicContact CG-CB 4.17Å; P16-C19 PolarHBondContact O-N 2.78Å; C19-W100 WeakPolarHBondContact O-CZ2 3.45Å; C19-K121 WeakPolarHBondContact O-CE 3.15Å; C19-K121 PolarHBondContact O-NZ 3.39Å; C19-C165 WeakPolarHBondContact CA-SG 3.36Å; C19-C165 HydrophobicContact CB-CB 3.42Å; C19-C165 VanDerWaalsContact CB-CB 3.42Å; C19-C165 WeakPolarHBondContact CB-SG 3.21Å; C19-C165 WeakPolarHBondContact SG-CB 3.24Å; C19-C165 PolarHBondContact SG-O 3.3Å; C19-C165 VanDerWaalsContact SG-O 3.39Å; C19-C165 CovalentContact SG-SG 2.03Å; C19-C165 PolarHBondContact SG-SG 3.34Å |
| 20 | I | 89.7 | Confident | 70.9 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 5% | 0.051 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 135.2 | -176.5 | -65.7 | 170.7 | 0 | 0 | 0 | 109.4 | I23 P71 W100 F147 L149 H161 L162 | I20-I23 HydrophobicContact CG2-CD1 3.83Å; I20-I23 HydrophobicContact CG2-CG1 3.91Å; I20-P71 HydrophobicContact CB-CB 4.42Å; I20-P71 HydrophobicContact CG1-CB 4.35Å; I20-P71 HydrophobicContact CG2-CB 3.41Å; I20-P71 VanDerWaalsContact CG2-CB 3.41Å; I20-W100 HydrophobicContact CG1-CH2 3.64Å; I20-W100 HydrophobicContact CG1-CZ3 4.04Å; I20-F147 HydrophobicContact CD1-CE1 3.81Å; I20-F147 HydrophobicContact CD1-CZ 3.68Å; I20-L149 HydrophobicContact CD1-CD2 4.14Å; I20-H161 WeakPolarHBondContact CB-O 3.39Å; I20-H161 HydrophobicContact CD1-CB 3.59Å; I20-H161 HydrophobicContact CG1-CB 4.07Å; I20-H161 PolarHBondContact N-O 3.18Å; I20-L162 HydrophobicContact CB-CD2 4.12Å; I20-L162 HydrophobicContact CD1-CD2 3.98Å; I20-L162 HydrophobicContact CD1-CG 4.2Å; I20-L162 HydrophobicContact CG2-CD2 3.67Å |
| 21 | S | 86.5 | Confident | 73.9 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 172.9 | 173.6 | 46.7 | 0 | 0 | 0 | 0 | 112.1 | E15 I23 N30 A70 P71 | E15-S21 VanDerWaalsContact OE2-CA 3.25Å; E15-S21 WeakPolarHBondContact OE2-CA 3.25Å; E15-S21 VanDerWaalsContact OE2-CB 3.22Å; E15-S21 WeakPolarHBondContact OE2-CB 3.32Å; S21-I23 PolarHBondContact O-N 3.43Å; S21-N30 PolarHBondContact O-ND2 3.4Å; S21-A70 PolarHBondContact OG-O 2.97Å; S21-P71 PolarHBondContact N-O 3.45Å; S21-P71 PolarHBondContact OG-O 2.87Å |
| 22 | T | 93.5 | Very high | 77.2 | Confident | 32 Ų | 32 | 46.2 Ų | 46.2 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -47.8 | 128.1 | 158.5 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | C24 N27 T28 | T22-C24 VanDerWaalsContact CG2-O 3.31Å; T22-C24 WeakPolarHBondContact CG2-O 3.11Å; T22-N27 WeakPolarHBondContact CG2-O 3.33Å; T22-T28 PolarHBondContact OG1-O 2.88Å |
| 23 | I | 96.9 | Very high | 80 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -96.8 | -34.7 | 179.4 | -60.2 | -169.2 | 0 | 0 | 0 | 111.7 | I20 S21 N30 I60 V68 Y69 P71 I107 I145 F147 L162 | I20-I23 HydrophobicContact CG2-CD1 3.83Å; I20-I23 HydrophobicContact CG2-CG1 3.91Å; S21-I23 PolarHBondContact O-N 3.43Å; I23-N30 PolarHBondContact N-OD1 2.98Å; I23-I60 HydrophobicContact CB-CD1 4.34Å; I23-I60 HydrophobicContact CD1-CD1 3.64Å; I23-I60 HydrophobicContact CG1-CD1 4.37Å; I23-V68 HydrophobicContact CG2-CG1 3.97Å; I23-V68 CarbonylContact O-C 3.57Å; I23-V68 VanDerWaalsContact O-CA 3.28Å; I23-V68 WeakPolarHBondContact O-CA 3.47Å; I23-Y69 PolarHBondContact O-N 3.38Å; I23-P71 HydrophobicContact CD1-CB 4.17Å; I23-P71 HydrophobicContact CG1-CB 4.44Å; I23-I107 HydrophobicContact CG2-CD1 4.41Å; I23-I145 HydrophobicContact CG2-CD1 3.51Å; I23-F147 HydrophobicContact CD1-CD2 3.4Å; I23-F147 HydrophobicContact CD1-CE2 3.39Å; I23-F147 HydrophobicContact CD1-CG 4.09Å; I23-F147 HydrophobicContact CD1-CZ 4.05Å; I23-L162 HydrophobicContact CD1-CD2 3.58Å; I23-L162 HydrophobicContact CG1-CD2 4.28Å | ||
| 24 | C | 97.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -121.4 | 137.1 | -176.7 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | T22 G26 N27 C62 | T22-C24 VanDerWaalsContact CG2-O 3.31Å; T22-C24 WeakPolarHBondContact CG2-O 3.11Å; C24-G26 PolarHBondContact O-N 2.85Å; C24-N27 HydrophobicContact CB-CB 4.27Å; C24-N27 PolarHBondContact O-N 3.31Å; C24-C62 HydrophobicContact CB-CB 3.69Å; C24-C62 WeakPolarHBondContact CB-SG 3.23Å; C24-C62 WeakPolarHBondContact SG-CA 3.36Å; C24-C62 WeakPolarHBondContact SG-CB 3.03Å; C24-C62 CovalentContact SG-SG 2.02Å; C24-C62 PolarHBondContact SG-SG 2.79Å |
| 25 | E | 97 | Very high | 84.6 | Confident | 69 Ų | 69 | 43.4 Ų | 43.4 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 130 | 171.8 | -175.2 | 175.3 | -129 | 0 | 0 | 110.9 | N27 K67 Y69 | E25-N27 VanDerWaalsContact C-N 3.28Å; E25-N27 PolarHBondContact O-N 2.78Å; E25-K67 HydrophobicContact CB-CB 3.99Å; E25-K67 WeakPolarHBondContact CB-O 3.47Å; E25-K67 PolarHBondContact N-O 3.43Å; E25-K67 WeakPolarHBondContact OE1-CD 3.36Å; E25-K67 WeakPolarHBondContact OE1-CE 3.17Å; E25-K67 IonicContact OE1-NZ 3.98Å; E25-K67 PolarHBondContact OE1-NZ 3.25Å; E25-K67 WeakPolarHBondContact OE2-CG 3.37Å; E25-K67 PolarHBondContact OE2-N 2.79Å; E25-Y69 HydrophobicContact CB-CE2 4.11Å |
| 26 | G | 94.6 | Very high | 86.1 | Confident | 80 Ų | 80 | 46.3 Ų | 46.3 | 83% | 0.825 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -8.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | C24 | C24-G26 PolarHBondContact O-N 2.85Š|
| 27 | N | 95.3 | Very high | 87.3 | Confident | 14 Ų | 14 | 46.6 Ų | 46.6 | 8% | 0.075 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -116.6 | 69.1 | 176.7 | -174.2 | 6.6 | 0 | 0 | 0 | 111.3 | T22 C24 E25 D29 N30 T31 I60 V61 | T22-N27 WeakPolarHBondContact CG2-O 3.33Å; C24-N27 HydrophobicContact CB-CB 4.27Å; C24-N27 PolarHBondContact O-N 3.31Å; E25-N27 VanDerWaalsContact C-N 3.28Å; E25-N27 PolarHBondContact O-N 2.78Å; N27-D29 VanDerWaalsContact C-N 3.26Å; N27-D29 PolarHBondContact O-N 3.45Å; N27-D29 PolarHBondContact OD1-OD1 3Å; N27-N30 PolarHBondContact O-N 3.05Å; N27-N30 PolarHBondContact OD1-N 3.4Å; N27-T31 PolarHBondContact ND2-N 2.96Å; N27-T31 PolarHBondContact ND2-O 3.48Å; N27-T31 WeakPolarHBondContact OD1-CB 3.46Å; N27-T31 PolarHBondContact OD1-N 2.67Å; N27-I60 WeakPolarHBondContact ND2-CG2 3.12Å; N27-V61 PolarHBondContact ND2-O 3.39Å |
| 28 | T | 91.8 | Very high | 87.8 | Confident | 112 Ų | 112 | 50 Ų | 50 | 69% | 0.687 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24.2 | -169.9 | 52.1 | 0 | 0 | 0 | 0 | 114.7 | T22 | T22-T28 PolarHBondContact OG1-O 2.88Š|
| 29 | D | 90.9 | Very high | 88 | Confident | 92 Ų | 92 | 51.4 Ų | 51.4 | 49% | 0.492 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 10.3 | -178.9 | 72 | -18.2 | 0 | 0 | 0 | 113.4 | N27 T31 | N27-D29 VanDerWaalsContact C-N 3.26Å; N27-D29 PolarHBondContact O-N 3.45Å; N27-D29 PolarHBondContact OD1-OD1 3Å; D29-T31 PolarHBondContact O-N 3.21Å; D29-T31 WeakPolarHBondContact OD1-CB 3.3Å; D29-T31 PolarHBondContact OD1-N 3.3Å; D29-T31 VanDerWaalsContact OD1-N 3.14Å; D29-T31 PolarHBondContact OD1-OG1 3.38Å; D29-T31 PolarHBondContact OD2-OG1 3.12Å |
| 30 | N | 94.8 | Very high | 87.8 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | trans | 51.5 | 43.2 | -175.8 | -63.8 | -44.7 | 0 | 0 | 0 | 111.9 | S21 I23 N27 L32 L162 K163 | S21-N30 PolarHBondContact O-ND2 3.4Å; I23-N30 PolarHBondContact N-OD1 2.98Å; N27-N30 PolarHBondContact O-N 3.05Å; N27-N30 PolarHBondContact OD1-N 3.4Å; N30-L32 PolarHBondContact O-N 2.04Å; N30-L162 HydrophobicContact CB-CB 4.13Å; N30-L162 HydrophobicContact CB-CD2 4.23Å; N30-L162 PolarHBondContact ND2-O 2.85Å; N30-K163 WeakPolarHBondContact O-CE 3.46Å | ||
| 31 | T | 94.9 | Very high | 87.6 | Confident | 53 Ų | 53 | 52.3 Ų | 52.3 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -49.2 | 131.4 | 173.5 | -73.7 | 0 | 0 | 0 | 0 | 110.6 | N27 D29 V61 | N27-T31 PolarHBondContact ND2-N 2.96Å; N27-T31 PolarHBondContact ND2-O 3.48Å; N27-T31 WeakPolarHBondContact OD1-CB 3.46Å; N27-T31 PolarHBondContact OD1-N 2.67Å; D29-T31 PolarHBondContact O-N 3.21Å; D29-T31 WeakPolarHBondContact OD1-CB 3.3Å; D29-T31 PolarHBondContact OD1-N 3.3Å; D29-T31 VanDerWaalsContact OD1-N 3.14Å; D29-T31 PolarHBondContact OD1-OG1 3.38Å; D29-T31 PolarHBondContact OD2-OG1 3.12Å; T31-V61 HydrophobicContact CG2-CG2 4.24Å; T31-V61 PolarHBondContact O-N 3.43Å |
| 32 | L | 94.3 | Very high | 87.8 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 13% | 0.131 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -89.5 | 148.3 | 179.2 | -56.8 | -174 | 0 | 0 | 0 | 108.6 | N30 V58 D59 I60 T159 L162 | N30-L32 PolarHBondContact O-N 2.04Å; L32-V58 HydrophobicContact CD1-CB 4.23Å; L32-V58 HydrophobicContact CD1-CG1 4.14Å; L32-V58 HydrophobicContact CD2-CB 3.88Å; L32-V58 HydrophobicContact CD2-CG2 3.82Å; L32-D59 CarbonylContact C-O 3.55Å; L32-D59 VanDerWaalsContact CA-O 3.3Å; L32-D59 WeakPolarHBondContact CA-O 3.34Å; L32-I60 HydrophobicContact CD2-CG1 4.04Å; L32-T159 HydrophobicContact CD1-CG2 4.4Å; L32-L162 HydrophobicContact CD2-CD1 4.36Å |
| 33 | R | 92.3 | Very high | 87.7 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 143.7 | 169.7 | 178.8 | 172.9 | 82.6 | 114.7 | 0.8 | 109.9 | D37 D39 T41 G43 D59 V61 E142 | R33-D37 WeakPolarHBondContact CD-OD2 3.42Å; R33-D37 WeakPolarHBondContact CG-OD2 3.44Å; R33-D37 IonicContact CZ-OD2 3.04Å; R33-D37 IonicContact NE-OD2 3.79Å; R33-D37 PolarHBondContact NE-OD2 2.96Å; R33-D37 IonicContact NH1-OD2 3.76Å; R33-D37 PolarHBondContact NH1-OD2 2.83Å; R33-D39 IonicContact NH1-OD2 3.62Å; R33-T41 VanDerWaalsContact CZ-OG1 3.26Å; R33-T41 PolarHBondContact NH1-OG1 2.83Å; R33-T41 PolarHBondContact NH2-OG1 2.79Å; R33-G43 WeakPolarHBondContact O-CA 3.48Å; R33-D59 HydrophobicContact CB-CB 3.82Å; R33-D59 IonicContact CZ-OD2 3.45Å; R33-D59 PolarHBondContact N-O 3.43Å; R33-D59 IonicContact NE-OD2 3.53Å; R33-D59 PolarHBondContact NE-OD2 3.25Å; R33-D59 IonicContact NH2-OD2 2.7Å; R33-D59 PolarHBondContact NH2-OD2 3.17Å; R33-V61 HydrophobicContact CB-CG2 4.32Å; R33-E142 WeakPolarHBondContact CA-OE2 3.22Å; R33-E142 HydrophobicContact CG-CB 4.15Å; R33-E142 WeakPolarHBondContact CG-OE2 3.25Å |
| 34 | K | 87.8 | Confident | 87.6 | Confident | 143 Ų | 143 | 53.5 Ų | 53.5 | 62% | 0.622 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 173.5 | -171.6 | -63.6 | 175.7 | -174.1 | 169.1 | 0 | 112.8 | G43 | K34-G43 PolarHBondContact O-N 2.98Å; K34-G43 VanDerWaalsContact O-N 3.07Å |
| 35 | C | 83.9 | Confident | 87.3 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 47% | 0.466 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -140.8 | 137.8 | 176 | -60.5 | 0 | 0 | 0 | 0 | 109.1 | C42 G43 | C35-C42 HydrophobicContact CB-CB 3.67Å; C35-C42 WeakPolarHBondContact CB-SG 3.29Å; C35-C42 VanDerWaalsContact SG-CA 3.5Å; C35-C42 WeakPolarHBondContact SG-CB 3.19Å; C35-C42 CovalentContact SG-SG 2.02Å; C35-C42 PolarHBondContact SG-SG 2.68Å; C35-G43 PolarHBondContact SG-N 2.62Å; C35-G43 VanDerWaalsContact SG-N 3.43Å |
| 36 | L | 77.2 | Confident | 87.1 | Confident | 139 Ų | 139 | 56.9 Ų | 56.9 | 73% | 0.728 | 33% | 0.331 | S | S | * | . | S | Bend | cis | -73 | 132.2 | -25.6 | -76.6 | 148.4 | 0 | 0 | 0 | 108.9 | G40 | L36-G40 VanDerWaalsContact CD2-O 3.25Å; L36-G40 WeakPolarHBondContact CD2-O 3.5Å |
| 37 | D | 70.7 | Confident | 86.8 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 15% | 0.15 | 29% | 0.292 | C | S | . | . | trans | -71.6 | 170.6 | 173.3 | -82.1 | -13.3 | 0 | 0 | 0 | 111.5 | R33 D39 G40 T41 | R33-D37 WeakPolarHBondContact CD-OD2 3.42Å; R33-D37 WeakPolarHBondContact CG-OD2 3.44Å; R33-D37 IonicContact CZ-OD2 3.04Å; R33-D37 IonicContact NE-OD2 3.79Å; R33-D37 PolarHBondContact NE-OD2 2.96Å; R33-D37 IonicContact NH1-OD2 3.76Å; R33-D37 PolarHBondContact NH1-OD2 2.83Å; D37-D39 VanDerWaalsContact CB-OD1 3.28Å; D37-D39 WeakPolarHBondContact CB-OD1 3.31Å; D37-D39 PolarHBondContact O-N 3.02Å; D37-G40 PolarHBondContact O-N 3.32Å; D37-T41 PolarHBondContact N-O 2.94Å | ||
| 38 | L | 65.5 | Low | 86.4 | Confident | 152 Ų | 152 | 56.1 Ų | 56.1 | 80% | 0.796 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -24.6 | 178 | -67.3 | 170.6 | 0 | 0 | 0 | 113.1 | P140 | L38-P140 HydrophobicContact CD1-CG 4.31Š|
| 39 | D | 70.8 | Confident | 86.1 | Confident | 34 Ų | 34 | 52 Ų | 52 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 3.1 | 179.4 | 69.4 | -7.1 | 0 | 0 | 0 | 114 | R33 D37 T41 F141 | R33-D39 IonicContact NH1-OD2 3.62Å; D37-D39 VanDerWaalsContact CB-OD1 3.28Å; D37-D39 WeakPolarHBondContact CB-OD1 3.31Å; D37-D39 PolarHBondContact O-N 3.02Å; D39-T41 VanDerWaalsContact C-N 3.28Å; D39-T41 PolarHBondContact O-N 2.75Å; D39-T41 WeakPolarHBondContact OD1-CB 3.26Å; D39-T41 PolarHBondContact OD1-N 2.96Å; D39-T41 PolarHBondContact OD1-OG1 2.77Å; D39-T41 WeakPolarHBondContact OD2-CG2 3.38Å; D39-T41 PolarHBondContact OD2-OG1 3.27Å; D39-F141 WeakPolarHBondContact OD2-CD1 3.49Å; D39-F141 WeakPolarHBondContact OD2-CE1 3.33Å |
| 40 | G | 78 | Confident | 85.5 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 76.6 | 8.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | L36 D37 | L36-G40 VanDerWaalsContact CD2-O 3.25Å; L36-G40 WeakPolarHBondContact CD2-O 3.5Å; D37-G40 PolarHBondContact O-N 3.32Å |
| 41 | T | 86.3 | Confident | 84.7 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | trans | -93.5 | 172.6 | 175.5 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | R33 D37 D39 K48 F50 | R33-T41 VanDerWaalsContact CZ-OG1 3.26Å; R33-T41 PolarHBondContact NH1-OG1 2.83Å; R33-T41 PolarHBondContact NH2-OG1 2.79Å; D37-T41 PolarHBondContact N-O 2.94Å; D39-T41 VanDerWaalsContact C-N 3.28Å; D39-T41 PolarHBondContact O-N 2.75Å; D39-T41 WeakPolarHBondContact OD1-CB 3.26Å; D39-T41 PolarHBondContact OD1-N 2.96Å; D39-T41 PolarHBondContact OD1-OG1 2.77Å; D39-T41 WeakPolarHBondContact OD2-CG2 3.38Å; D39-T41 PolarHBondContact OD2-OG1 3.27Å; T41-K48 VanDerWaalsContact CA-O 3.3Å; T41-K48 WeakPolarHBondContact CA-O 3.46Å; T41-K48 VanDerWaalsContact CB-O 3.28Å; T41-K48 WeakPolarHBondContact CB-O 3.28Å; T41-F50 HydrophobicContact CG2-CB 4.42Å | ||
| 42 | C | 90 | Very high | 84 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 12% | 0.115 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -144.6 | 132.2 | -175.4 | 166 | 0 | 0 | 0 | 0 | 110.9 | C35 S44 G47 K48 R49 | C35-C42 HydrophobicContact CB-CB 3.67Å; C35-C42 WeakPolarHBondContact CB-SG 3.29Å; C35-C42 VanDerWaalsContact SG-CA 3.5Å; C35-C42 WeakPolarHBondContact SG-CB 3.19Å; C35-C42 CovalentContact SG-SG 2.02Å; C35-C42 PolarHBondContact SG-SG 2.68Å; C42-S44 VanDerWaalsContact C-N 3.35Å; C42-S44 PolarHBondContact SG-OG 2.97Å; C42-G47 WeakPolarHBondContact O-CA 3.23Å; C42-K48 PolarHBondContact N-O 3.04Å; C42-R49 PolarHBondContact O-NH1 3.45Å |
| 43 | G | 91.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -80.4 | -6.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | R33 K34 C35 V58 D59 | R33-G43 WeakPolarHBondContact O-CA 3.48Å; K34-G43 PolarHBondContact O-N 2.98Å; K34-G43 VanDerWaalsContact O-N 3.07Å; C35-G43 PolarHBondContact SG-N 2.62Å; C35-G43 VanDerWaalsContact SG-N 3.43Å; G43-V58 WeakPolarHBondContact O-CA 3.4Å; G43-D59 WeakPolarHBondContact CA-OD2 3.35Å; G43-D59 PolarHBondContact O-N 3.26Å | ||
| 44 | S | 93.6 | Very high | 83.5 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 32% | 0.315 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -73.7 | 168.8 | -179.8 | 74.3 | 0 | 0 | 0 | 0 | 112.8 | C42 F46 G47 | C42-S44 VanDerWaalsContact C-N 3.35Å; C42-S44 PolarHBondContact SG-OG 2.97Å; S44-F46 PolarHBondContact O-N 2.82Å; S44-G47 WeakPolarHBondContact O-CA 3.31Å; S44-G47 PolarHBondContact O-N 2.82Å |
| 45 | Y | 92.3 | Very high | 83.5 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 15% | 0.153 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 136.9 | 170 | -172.9 | -110.7 | 0 | 0 | 0 | 109.8 | G47 K56 G57 I156 D157 | Y45-G47 PolarHBondContact O-N 2.92Å; Y45-K56 HydrophobicContact CE2-CB 4.02Å; Y45-G57 WeakPolarHBondContact CA-O 3.25Å; Y45-I156 WeakPolarHBondContact CE2-O 3.25Å; Y45-D157 WeakPolarHBondContact CB-OD1 3.38Å; Y45-D157 HydrophobicContact CD1-CB 3.57Å; Y45-D157 WeakPolarHBondContact CD1-OD2 3.28Å; Y45-D157 HydrophobicContact CD2-CB 4.22Å; Y45-D157 HydrophobicContact CE1-CB 3.74Å; Y45-D157 HydrophobicContact CE2-CB 4.36Å; Y45-D157 HydrophobicContact CG-CB 3.84Å |
| 46 | F | 92 | Very high | 83.9 | Confident | 100 Ų | 100 | 67.2 Ų | 67.2 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 31.3 | -167.3 | -78.5 | -80.5 | 0 | 0 | 0 | 113.6 | S44 F54 V55 K56 | S44-F46 PolarHBondContact O-N 2.82Å; F46-F54 HydrophobicContact CD1-CB 4.08Å; F46-F54 VanDerWaalsContact O-CD1 3.24Å; F46-F54 WeakPolarHBondContact O-CD1 3.07Å; F46-V55 VanDerWaalsContact CA-O 3.25Å; F46-V55 WeakPolarHBondContact CA-O 3.28Å; F46-V55 PolarHBondContact N-O 2.8Å; F46-K56 HydrophobicContact CD1-CG 4.31Å; F46-K56 HydrophobicContact CE1-CD 4.37Å; F46-K56 HydrophobicContact CE1-CG 3.82Å; F46-K56 HydrophobicContact CE2-CG 4.26Å; F46-K56 HydrophobicContact CZ-CD 4.11Å; F46-K56 VanDerWaalsContact CZ-CE 3.42Å; F46-K56 HydrophobicContact CZ-CG 3.81Å |
| 47 | G | 88.7 | Confident | 84.7 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 139 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C42 S44 Y45 R49 V55 | C42-G47 WeakPolarHBondContact O-CA 3.23Å; S44-G47 WeakPolarHBondContact O-CA 3.31Å; S44-G47 PolarHBondContact O-N 2.82Å; Y45-G47 PolarHBondContact O-N 2.92Å; G47-R49 PolarHBondContact O-NH1 3.47Å; G47-R49 VanDerWaalsContact O-NH1 3.15Å; G47-V55 PolarHBondContact O-N 2.82Å |
| 48 | K | 86.9 | Confident | 85.9 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 34% | 0.335 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 136.2 | 174.5 | -168.9 | 178.1 | -179 | -179.4 | 0 | 109.7 | T41 C42 E52 F54 | T41-K48 VanDerWaalsContact CA-O 3.3Å; T41-K48 WeakPolarHBondContact CA-O 3.46Å; T41-K48 VanDerWaalsContact CB-O 3.28Å; T41-K48 WeakPolarHBondContact CB-O 3.28Å; C42-K48 PolarHBondContact N-O 3.04Å; K48-E52 IonicContact NZ-OE1 2.85Å; K48-E52 PolarHBondContact NZ-OE1 3.35Å; K48-F54 HydrophobicContact CB-CD1 4.23Å; K48-F54 HydrophobicContact CB-CE1 3.89Å; K48-F54 HydrophobicContact CG-CE1 4.31Å |
| 49 | R | 84.9 | Confident | 87.3 | Confident | 26 Ų | 26 | 52 Ų | 52 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -103.5 | 171.9 | 170.9 | -61.9 | -64.1 | 178.7 | -95.5 | 8.3 | 110.5 | C42 G47 D51 E52 R53 V55 D59 | C42-R49 PolarHBondContact O-NH1 3.45Å; G47-R49 PolarHBondContact O-NH1 3.47Å; G47-R49 VanDerWaalsContact O-NH1 3.15Å; R49-D51 PolarHBondContact O-N 3.45Å; R49-E52 PolarHBondContact O-N 3.14Å; R49-R53 WeakPolarHBondContact CB-O 3.44Å; R49-R53 PolarHBondContact N-O 2.87Å; R49-V55 HydrophobicContact CG-CB 4.35Å; R49-V55 HydrophobicContact CG-CG2 3.43Å; R49-V55 VanDerWaalsContact CG-CG2 3.43Å; R49-D59 IonicContact CZ-OD1 3.39Å; R49-D59 IonicContact CZ-OD2 3.43Å; R49-D59 IonicContact NH1-OD2 3.39Å; R49-D59 IonicContact NH2-OD1 2.9Å; R49-D59 PolarHBondContact NH2-OD1 3.12Å; R49-D59 IonicContact NH2-OD2 3.14Å; R49-D59 PolarHBondContact NH2-OD2 2.88Å; R49-D59 VanDerWaalsContact NH2-OD2 3.14Å |
| 50 | F | 78.1 | Confident | 88.6 | Confident | 110 Ų | 110 | 50.4 Ų | 50.4 | 48% | 0.482 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.3 | -174.3 | 69.9 | -92.3 | 0 | 0 | 0 | 114.2 | T41 E52 | T41-F50 HydrophobicContact CG2-CB 4.42Å; F50-E52 VanDerWaalsContact C-N 3.27Å |
| 51 | D | 79.1 | Confident | 89.4 | Confident | 57 Ų | 57 | 49.7 Ų | 49.7 | 31% | 0.305 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 17.4 | 178.6 | 59.2 | 7.6 | 0 | 0 | 0 | 112.4 | R49 R53 | R49-D51 PolarHBondContact O-N 3.45Å; D51-R53 VanDerWaalsContact CG-NE 3.32Å; D51-R53 PolarHBondContact O-N 3.42Å; D51-R53 VanDerWaalsContact O-N 3.09Å; D51-R53 VanDerWaalsContact OD1-CB 3.28Å; D51-R53 WeakPolarHBondContact OD1-CB 3.05Å; D51-R53 WeakPolarHBondContact OD1-CG 3.43Å; D51-R53 PolarHBondContact OD1-N 2.99Å; D51-R53 VanDerWaalsContact OD1-N 3.09Å; D51-R53 IonicContact OD1-NE 3.49Å; D51-R53 PolarHBondContact OD1-NE 2.99Å; D51-R53 IonicContact OD2-CZ 3.05Å; D51-R53 IonicContact OD2-NE 2.67Å; D51-R53 PolarHBondContact OD2-NE 3.29Å; D51-R53 IonicContact OD2-NH2 2.66Å; D51-R53 PolarHBondContact OD2-NH2 3.14Å |
| 52 | E | 80.6 | Confident | 89.9 | Confident | 134 Ų | 134 | 49.7 Ų | 49.7 | 63% | 0.626 | 23% | 0.228 | S | C | * | . | S | Bend | trans | 65.2 | 6.6 | -179.7 | -42.2 | -155 | 111.5 | 0 | 0 | 115.3 | K48 R49 F50 | K48-E52 IonicContact NZ-OE1 2.85Å; K48-E52 PolarHBondContact NZ-OE1 3.35Å; R49-E52 PolarHBondContact O-N 3.14Å; F50-E52 VanDerWaalsContact C-N 3.27Å |
| 53 | R | 86.6 | Confident | 90.1 | Very high | 158 Ų | 158 | 54 Ų | 54 | 60% | 0.596 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -74.2 | 148.7 | 170.6 | -63.2 | -172.1 | -68.1 | 176.3 | -7 | 110.5 | R49 D51 | R49-R53 WeakPolarHBondContact CB-O 3.44Å; R49-R53 PolarHBondContact N-O 2.87Å; D51-R53 VanDerWaalsContact CG-NE 3.32Å; D51-R53 PolarHBondContact O-N 3.42Å; D51-R53 VanDerWaalsContact O-N 3.09Å; D51-R53 VanDerWaalsContact OD1-CB 3.28Å; D51-R53 WeakPolarHBondContact OD1-CB 3.05Å; D51-R53 WeakPolarHBondContact OD1-CG 3.43Å; D51-R53 PolarHBondContact OD1-N 2.99Å; D51-R53 VanDerWaalsContact OD1-N 3.09Å; D51-R53 IonicContact OD1-NE 3.49Å; D51-R53 PolarHBondContact OD1-NE 2.99Å; D51-R53 IonicContact OD2-CZ 3.05Å; D51-R53 IonicContact OD2-NE 2.67Å; D51-R53 PolarHBondContact OD2-NE 3.29Å; D51-R53 IonicContact OD2-NH2 2.66Å; D51-R53 PolarHBondContact OD2-NH2 3.14Å |
| 54 | F | 88 | Confident | 90.2 | Very high | 128 Ų | 128 | 56.3 Ų | 56.3 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.2 | 171.1 | -63.7 | -84.4 | 0 | 0 | 0 | 109.4 | F46 K48 | F46-F54 HydrophobicContact CD1-CB 4.08Å; F46-F54 VanDerWaalsContact O-CD1 3.24Å; F46-F54 WeakPolarHBondContact O-CD1 3.07Å; K48-F54 HydrophobicContact CB-CD1 4.23Å; K48-F54 HydrophobicContact CB-CE1 3.89Å; K48-F54 HydrophobicContact CG-CE1 4.31Å |
| 55 | V | 89.2 | Confident | 90.3 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.9 | -177.1 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | F46 G47 R49 G57 L146 | F46-V55 VanDerWaalsContact CA-O 3.25Å; F46-V55 WeakPolarHBondContact CA-O 3.28Å; F46-V55 PolarHBondContact N-O 2.8Å; G47-V55 PolarHBondContact O-N 2.82Å; R49-V55 HydrophobicContact CG-CB 4.35Å; R49-V55 HydrophobicContact CG-CG2 3.43Å; R49-V55 VanDerWaalsContact CG-CG2 3.43Å; V55-G57 PolarHBondContact O-N 2.87Å; V55-L146 HydrophobicContact CG1-CD1 3.78Å; V55-L146 HydrophobicContact CG1-CD2 4.36Å |
| 56 | K | 92.6 | Very high | 90.5 | Very high | 98 Ų | 98 | 57.2 Ų | 57.2 | 43% | 0.426 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -82.4 | 71.8 | 170.9 | -70.3 | -176.8 | -175.8 | -173 | 0 | 109.5 | Y45 F46 Q148 L155 | Y45-K56 HydrophobicContact CE2-CB 4.02Å; F46-K56 HydrophobicContact CD1-CG 4.31Å; F46-K56 HydrophobicContact CE1-CD 4.37Å; F46-K56 HydrophobicContact CE1-CG 3.82Å; F46-K56 HydrophobicContact CE2-CG 4.26Å; F46-K56 HydrophobicContact CZ-CD 4.11Å; F46-K56 VanDerWaalsContact CZ-CE 3.42Å; F46-K56 HydrophobicContact CZ-CG 3.81Å; K56-Q148 PolarHBondContact O-NE2 3.35Å; K56-L155 HydrophobicContact CB-CB 4.27Å; K56-L155 HydrophobicContact CB-CD1 3.73Å; K56-L155 HydrophobicContact CB-CG 4.43Å; K56-L155 HydrophobicContact CD-CB 4.29Å; K56-L155 HydrophobicContact CD-CD1 4.02Å |
| 57 | G | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -177 | 170.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y45 V55 F147 | Y45-G57 WeakPolarHBondContact CA-O 3.25Å; V55-G57 PolarHBondContact O-N 2.87Å; G57-F147 CarbonylContact C-O 3.34Å; G57-F147 VanDerWaalsContact CA-O 3.27Å; G57-F147 WeakPolarHBondContact CA-O 2.96Å |
| 58 | V | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.9 | 178.3 | -60.3 | 0 | 0 | 0 | 0 | 110.1 | L32 G43 I60 F147 P158 L162 | L32-V58 HydrophobicContact CD1-CB 4.23Å; L32-V58 HydrophobicContact CD1-CG1 4.14Å; L32-V58 HydrophobicContact CD2-CB 3.88Å; L32-V58 HydrophobicContact CD2-CG2 3.82Å; G43-V58 WeakPolarHBondContact O-CA 3.4Å; V58-I60 HydrophobicContact CG2-CG1 4.12Å; V58-F147 HydrophobicContact CG2-CB 4.08Å; V58-F147 HydrophobicContact CG2-CD1 4.3Å; V58-F147 PolarHBondContact N-O 3.29Å; V58-F147 PolarHBondContact O-N 3.24Å; V58-P158 HydrophobicContact CB-CG 4.36Å; V58-P158 HydrophobicContact CG1-CG 3.77Å; V58-P158 HydrophobicContact CG2-CG 3.69Å; V58-L162 HydrophobicContact CG2-CD1 3.53Å |
| 59 | D | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 113.9 | 173.3 | -62.4 | -19.1 | 0 | 0 | 0 | 107.8 | L32 R33 G43 R49 H144 I145 | L32-D59 CarbonylContact C-O 3.55Å; L32-D59 VanDerWaalsContact CA-O 3.3Å; L32-D59 WeakPolarHBondContact CA-O 3.34Å; R33-D59 HydrophobicContact CB-CB 3.82Å; R33-D59 IonicContact CZ-OD2 3.45Å; R33-D59 PolarHBondContact N-O 3.43Å; R33-D59 IonicContact NE-OD2 3.53Å; R33-D59 PolarHBondContact NE-OD2 3.25Å; R33-D59 IonicContact NH2-OD2 2.7Å; R33-D59 PolarHBondContact NH2-OD2 3.17Å; G43-D59 WeakPolarHBondContact CA-OD2 3.35Å; G43-D59 PolarHBondContact O-N 3.26Å; R49-D59 IonicContact CZ-OD1 3.39Å; R49-D59 IonicContact CZ-OD2 3.43Å; R49-D59 IonicContact NH1-OD2 3.39Å; R49-D59 IonicContact NH2-OD1 2.9Å; R49-D59 PolarHBondContact NH2-OD1 3.12Å; R49-D59 IonicContact NH2-OD2 3.14Å; R49-D59 PolarHBondContact NH2-OD2 2.88Å; R49-D59 VanDerWaalsContact NH2-OD2 3.14Å; D59-H144 HydrophobicContact CB-CB 4.15Å; D59-H144 VanDerWaalsContact CG-CD2 3.47Å; D59-H144 IonicContact OD1-CD2 3.32Å; D59-H144 IonicContact OD1-NE2 3.88Å; D59-H144 IonicContact OD2-CD2 3.74Å; D59-H144 IonicContact OD2-NE2 2.86Å; D59-I145 CarbonylContact C-O 3.4Å; D59-I145 WeakPolarHBondContact CA-O 3.45Å |
| 60 | I | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.4 | 177.9 | -59.4 | 176.3 | 0 | 0 | 0 | 108.1 | I23 N27 L32 V58 C62 H144 I145 F147 L162 | I23-I60 HydrophobicContact CB-CD1 4.34Å; I23-I60 HydrophobicContact CD1-CD1 3.64Å; I23-I60 HydrophobicContact CG1-CD1 4.37Å; N27-I60 WeakPolarHBondContact ND2-CG2 3.12Å; L32-I60 HydrophobicContact CD2-CG1 4.04Å; V58-I60 HydrophobicContact CG2-CG1 4.12Å; I60-C62 PolarHBondContact O-N 3.28Å; I60-H144 CarbonylContact O-C 3.5Å; I60-H144 WeakPolarHBondContact O-CA 3.36Å; I60-H144 VanDerWaalsContact O-CB 3.27Å; I60-H144 WeakPolarHBondContact O-CB 3.25Å; I60-I145 HydrophobicContact CB-CD1 4.47Å; I60-I145 HydrophobicContact CB-CG1 3.97Å; I60-I145 PolarHBondContact N-O 3.47Å; I60-I145 PolarHBondContact O-N 2.86Å; I60-F147 HydrophobicContact CD1-CB 3.62Å; I60-F147 HydrophobicContact CD1-CD2 4.37Å; I60-F147 HydrophobicContact CD1-CG 3.94Å; I60-F147 HydrophobicContact CG1-CB 4.12Å; I60-L162 HydrophobicContact CD1-CD1 3.94Å; I60-L162 HydrophobicContact CD1-CD2 3.88Å; I60-L162 HydrophobicContact CG1-CD1 4.4Å |
| 61 | V | 95.5 | Very high | 93.2 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 13% | 0.127 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 127.5 | 179.4 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | N27 T31 R33 E142 | N27-V61 PolarHBondContact ND2-O 3.39Å; T31-V61 HydrophobicContact CG2-CG2 4.24Å; T31-V61 PolarHBondContact O-N 3.43Å; R33-V61 HydrophobicContact CB-CG2 4.32Å; V61-E142 HydrophobicContact CG1-CG 4.33Å; V61-E142 HydrophobicContact CG2-CG 4.3Å |
| 62 | C | 96.6 | Very high | 93.9 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | trans | -157.4 | 113 | -176.5 | -164.1 | 0 | 0 | 0 | 0 | 110.1 | C24 I60 S128 P143 I145 | C24-C62 HydrophobicContact CB-CB 3.69Å; C24-C62 WeakPolarHBondContact CB-SG 3.23Å; C24-C62 WeakPolarHBondContact SG-CA 3.36Å; C24-C62 WeakPolarHBondContact SG-CB 3.03Å; C24-C62 CovalentContact SG-SG 2.02Å; C24-C62 PolarHBondContact SG-SG 2.79Å; I60-C62 PolarHBondContact O-N 3.28Å; C62-S128 VanDerWaalsContact SG-CB 3.56Å; C62-P143 PolarHBondContact N-O 3.25Å; C62-P143 CarbonylContact O-C 3.4Å; C62-P143 WeakPolarHBondContact O-CB 3.02Å; C62-I145 HydrophobicContact CB-CG1 4.35Å; C62-I145 HydrophobicContact CB-CG2 4.06Å | ||
| 63 | Q | 95.1 | Very high | 94.4 | Very high | 107 Ų | 107 | 41.2 Ų | 41.2 | 50% | 0.5 | 20% | 0.199 | S | C | . | . | trans | -62.6 | 147.9 | -179.3 | -62.4 | -57.8 | -42.2 | 0 | 0 | 110.3 | D65 S66 S128 | Q63-D65 PolarHBondContact O-N 2.95Å; Q63-S66 WeakPolarHBondContact CB-OG 3.46Å; Q63-S66 WeakPolarHBondContact O-CB 3.5Å; Q63-S66 PolarHBondContact O-N 2.84Å; Q63-S66 PolarHBondContact O-OG 2.94Å; Q63-S128 PolarHBondContact O-OG 3.08Å | ||
| 64 | A | 93 | Very high | 94.8 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 41% | 0.413 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 140.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S66 | A64-S66 PolarHBondContact O-N 3.49Š|
| 65 | D | 95 | Very high | 95.3 | Very high | 84 Ų | 84 | 30.5 Ų | 30.5 | 45% | 0.449 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 6.9 | -178.1 | -154.4 | 53.8 | 0 | 0 | 0 | 116.2 | Q63 R111 R127 S128 | Q63-D65 PolarHBondContact O-N 2.95Å; D65-R111 IonicContact OD1-NH1 3.36Å; D65-R127 PolarHBondContact O-NH1 2.99Å; D65-R127 VanDerWaalsContact OD1-CD 3.26Å; D65-R127 WeakPolarHBondContact OD1-CD 3.08Å; D65-R127 IonicContact OD2-NH1 2.64Å; D65-S128 WeakPolarHBondContact CA-O 3.41Å; D65-S128 PolarHBondContact N-O 3.21Å; D65-S128 PolarHBondContact N-OG 2.77Å; D65-S128 VanDerWaalsContact N-OG 3.16Å |
| 66 | S | 97.5 | Very high | 95.7 | Very high | 18 Ų | 18 | 29.4 Ų | 29.4 | 13% | 0.126 | 15% | 0.154 | C | C | . | . | trans | -67.5 | 145.8 | 172.4 | -64 | 0 | 0 | 0 | 0 | 111.1 | Q63 A64 R127 S128 | Q63-S66 WeakPolarHBondContact CB-OG 3.46Å; Q63-S66 WeakPolarHBondContact O-CB 3.5Å; Q63-S66 PolarHBondContact O-N 2.84Å; Q63-S66 PolarHBondContact O-OG 2.94Å; A64-S66 PolarHBondContact O-N 3.49Å; S66-R127 CarbonylContact O-C 3.19Å; S66-R127 VanDerWaalsContact O-CA 3.26Å; S66-R127 WeakPolarHBondContact O-CA 3.3Å; S66-S128 PolarHBondContact N-OG 2.92Å; S66-S128 VanDerWaalsContact N-OG 3.11Å; S66-S128 PolarHBondContact O-N 2.84Å; S66-S128 PolarHBondContact O-OG 3.2Å | ||
| 67 | K | 98.2 | Very high | 95.9 | Very high | 57 Ų | 57 | 26.8 Ų | 26.8 | 25% | 0.248 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 141.6 | 175.2 | -61.6 | 171.4 | -166.3 | 136 | 0 | 110.7 | E25 Y69 E124 | E25-K67 HydrophobicContact CB-CB 3.99Å; E25-K67 WeakPolarHBondContact CB-O 3.47Å; E25-K67 PolarHBondContact N-O 3.43Å; E25-K67 WeakPolarHBondContact OE1-CD 3.36Å; E25-K67 WeakPolarHBondContact OE1-CE 3.17Å; E25-K67 IonicContact OE1-NZ 3.98Å; E25-K67 PolarHBondContact OE1-NZ 3.25Å; E25-K67 WeakPolarHBondContact OE2-CG 3.37Å; E25-K67 PolarHBondContact OE2-N 2.79Å; K67-Y69 HydrophobicContact CB-CE1 4.29Å; K67-Y69 HydrophobicContact CB-CE2 4.45Å; K67-E124 HydrophobicContact CB-CG 4.21Å; K67-E124 HydrophobicContact CD-CG 4.47Å; K67-E124 WeakPolarHBondContact CD-OE2 3.45Å; K67-E124 HydrophobicContact CG-CG 4.31Å |
| 68 | V | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.8 | 174.2 | -178 | 0 | 0 | 0 | 0 | 108.5 | I23 I107 I110 I125 G126 I145 | I23-V68 HydrophobicContact CG2-CG1 3.97Å; I23-V68 CarbonylContact O-C 3.57Å; I23-V68 VanDerWaalsContact O-CA 3.28Å; I23-V68 WeakPolarHBondContact O-CA 3.47Å; V68-I107 HydrophobicContact CG1-CG2 4.22Å; V68-I110 HydrophobicContact CB-CG2 4.36Å; V68-I110 HydrophobicContact CG1-CG2 4.24Å; V68-I110 HydrophobicContact CG2-CG2 3.84Å; V68-I125 HydrophobicContact CB-CG1 4.34Å; V68-I125 HydrophobicContact CG1-CD1 4.07Å; V68-I125 HydrophobicContact CG1-CG1 4.05Å; V68-I125 VanDerWaalsContact O-CG1 3.28Å; V68-I125 WeakPolarHBondContact O-CG1 3.21Å; V68-I125 PolarHBondContact O-N 3.21Å; V68-G126 PolarHBondContact N-O 2.98Å; V68-G126 PolarHBondContact O-N 3.14Å; V68-I145 HydrophobicContact CG1-CD1 4.24Å |
| 69 | Y | 98 | Very high | 95.9 | Very high | 53 Ų | 53 | 32.3 Ų | 32.3 | 21% | 0.208 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 152.3 | -174.9 | -54.6 | -73.3 | 0 | 0 | 0 | 112.2 | I23 E25 K67 G122 A123 E124 | I23-Y69 PolarHBondContact O-N 3.38Å; E25-Y69 HydrophobicContact CB-CE2 4.11Å; K67-Y69 HydrophobicContact CB-CE1 4.29Å; K67-Y69 HydrophobicContact CB-CE2 4.45Å; Y69-G122 VanDerWaalsContact CD1-O 3.31Å; Y69-G122 WeakPolarHBondContact CD1-O 3.44Å; Y69-A123 CarbonylContact C-O 3.55Å; Y69-A123 VanDerWaalsContact CA-O 3.24Å; Y69-A123 WeakPolarHBondContact CA-O 3.32Å; Y69-E124 HydrophobicContact CD1-CB 4.38Å; Y69-E124 HydrophobicContact CE1-CB 4.41Å |
| 70 | A | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -66.4 | 129.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S21 F72 I94 V119 R120 G122 A123 I125 | S21-A70 PolarHBondContact OG-O 2.97Å; A70-F72 VanDerWaalsContact C-N 3.25Å; A70-F72 PolarHBondContact O-N 2.69Å; A70-I94 HydrophobicContact CB-CD1 4.42Å; A70-V119 HydrophobicContact CB-CB 4.19Å; A70-V119 HydrophobicContact CB-CG2 4.01Å; A70-R120 WeakPolarHBondContact CB-O 3.46Å; A70-G122 PolarHBondContact O-N 3.5Å; A70-A123 PolarHBondContact N-O 2.86Å; A70-I125 HydrophobicContact CB-CG2 3.73Å | ||
| 71 | P | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -70.1 | -25.5 | -178.2 | 29.2 | -34.5 | 0 | 0 | 0 | 112.6 | I20 S21 I23 I94 A105 I107 F147 | I20-P71 HydrophobicContact CB-CB 4.42Å; I20-P71 HydrophobicContact CG1-CB 4.35Å; I20-P71 HydrophobicContact CG2-CB 3.41Å; I20-P71 VanDerWaalsContact CG2-CB 3.41Å; S21-P71 PolarHBondContact N-O 3.45Å; S21-P71 PolarHBondContact OG-O 2.87Å; I23-P71 HydrophobicContact CD1-CB 4.17Å; I23-P71 HydrophobicContact CG1-CB 4.44Å; P71-I94 HydrophobicContact CG-CD1 4.36Å; P71-A105 HydrophobicContact CG-CB 3.68Å; P71-I107 HydrophobicContact CG-CD1 4.28Å; P71-F147 HydrophobicContact CB-CE2 4.16Å; P71-F147 HydrophobicContact CB-CZ 4.36Å; P71-F147 HydrophobicContact CG-CE2 4.15Å |
| 72 | F | 93 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -162.9 | 170 | -177.8 | 47.8 | -112.5 | 0 | 0 | 0 | 112.1 | A70 I94 G96 W100 A105 L149 | A70-F72 VanDerWaalsContact C-N 3.25Å; A70-F72 PolarHBondContact O-N 2.69Å; F72-I94 HydrophobicContact CD2-CG2 4.2Å; F72-I94 HydrophobicContact CE2-CB 4.32Å; F72-I94 HydrophobicContact CE2-CG2 3.88Å; F72-G96 VanDerWaalsContact CE2-CA 3.49Å; F72-W100 HydrophobicContact CB-CB 4.25Å; F72-W100 VanDerWaalsContact CB-CD1 3.42Å; F72-W100 HydrophobicContact CB-CD2 3.41Å; F72-W100 VanDerWaalsContact CB-CD2 3.41Å; F72-W100 HydrophobicContact CB-CE3 4.13Å; F72-W100 HydrophobicContact CB-CG 3.45Å; F72-W100 VanDerWaalsContact CB-CG 3.45Å; F72-W100 HydrophobicContact CB-CZ2 3.97Å; F72-W100 VanDerWaalsContact CB-NE1 3.33Å; F72-W100 AromaticContact CD1-CD2 3.59Å; F72-W100 HydrophobicContact CD1-CD2 3.59Å; F72-W100 AromaticContact CD1-CE3 3.37Å; F72-W100 HydrophobicContact CD1-CE3 3.37Å; F72-W100 HydrophobicContact CD1-CG 4.17Å; F72-W100 HydrophobicContact CD1-CH2 4.17Å; F72-W100 HydrophobicContact CD1-CZ2 4.35Å; F72-W100 AromaticContact CD1-CZ3 3.69Å; F72-W100 HydrophobicContact CD1-CZ3 3.69Å; F72-W100 HydrophobicContact CD2-CB 4.01Å; F72-W100 HydrophobicContact CD2-CD2 4.39Å; F72-W100 HydrophobicContact CD2-CG 4.1Å; F72-W100 HydrophobicContact CE1-CD2 4.4Å; F72-W100 AromaticContact CE1-CE3 3.84Å; F72-W100 HydrophobicContact CE1-CE3 3.84Å; F72-W100 HydrophobicContact CE1-CZ3 4.18Å; F72-W100 HydrophobicContact CE2-CB 4.46Å; F72-W100 HydrophobicContact CG-CB 4.07Å; F72-W100 AromaticContact CG-CD2 3.57Å; F72-W100 HydrophobicContact CG-CD2 3.57Å; F72-W100 AromaticContact CG-CE3 3.86Å; F72-W100 HydrophobicContact CG-CE3 3.86Å; F72-W100 AromaticContact CG-CG 3.68Å; F72-W100 HydrophobicContact CG-CG 3.68Å; F72-W100 HydrophobicContact CG-CZ3 4.5Å; F72-A105 HydrophobicContact CE1-CB 3.75Å; F72-A105 HydrophobicContact CE2-CB 4.43Å; F72-A105 HydrophobicContact CZ-CB 3.55Å; F72-L149 HydrophobicContact CE1-CD1 3.93Å; F72-L149 HydrophobicContact CZ-CD1 4.47Å |
| 73 | D | 92.5 | Very high | 94.4 | Very high | 60 Ų | 60 | 45.7 Ų | 45.7 | 32% | 0.321 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -65.6 | 135.9 | 173.5 | -58.6 | -27.6 | 0 | 0 | 0 | 110.7 | G96 D97 V119 R120 K121 | D73-G96 WeakPolarHBondContact O-CA 3.43Å; D73-D97 WeakPolarHBondContact CB-OD1 3.42Å; D73-D97 PolarHBondContact O-N 2.87Å; D73-V119 WeakPolarHBondContact CA-O 3.4Å; D73-R120 WeakPolarHBondContact OD1-CA 3.44Å; D73-K121 PolarHBondContact OD1-N 2.62Å |
| 74 | G | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.6 | -173.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | T95 D97 K118 V119 | G74-T95 CarbonylContact C-O 3.53Å; G74-T95 WeakPolarHBondContact CA-O 3.46Å; G74-D97 PolarHBondContact N-OD1 2.7Å; G74-K118 WeakPolarHBondContact O-CA 3.38Å; G74-K118 WeakPolarHBondContact O-CD 3.05Å; G74-V119 PolarHBondContact N-O 2.86Å; G74-V119 PolarHBondContact O-N 3.49Å |
| 75 | T | 97.7 | Very high | 93.4 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 37% | 0.368 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 128.2 | 173.2 | -52.3 | 0 | 0 | 0 | 0 | 109.9 | I94 T95 G117 K118 | T75-I94 WeakPolarHBondContact O-CA 3.47Å; T75-T95 PolarHBondContact N-O 3.32Å; T75-T95 PolarHBondContact O-N 3.17Å; T75-G117 CarbonylContact C-O 3.46Å; T75-G117 WeakPolarHBondContact CA-O 3.4Å; T75-K118 WeakPolarHBondContact OG1-CD 3.45Å; T75-K118 VanDerWaalsContact OG1-CE 3.28Å; T75-K118 WeakPolarHBondContact OG1-CE 3.42Å; T75-K118 PolarHBondContact OG1-NZ 3.39Å |
| 76 | V | 97.7 | Very high | 92.9 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 141.7 | 179.6 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | L92 K93 I94 F114 G116 G117 V119 | V76-L92 HydrophobicContact CG1-CB 4.23Å; V76-L92 HydrophobicContact CG1-CD1 3.92Å; V76-L92 HydrophobicContact CG1-CD2 3.52Å; V76-L92 HydrophobicContact CG1-CG 4.09Å; V76-K93 CarbonylContact C-O 3.59Å; V76-K93 WeakPolarHBondContact CA-O 3.34Å; V76-I94 HydrophobicContact CG2-CG1 4.14Å; V76-F114 HydrophobicContact CB-CE2 4.12Å; V76-F114 HydrophobicContact CG1-CD2 4.39Å; V76-F114 HydrophobicContact CG1-CE2 4.11Å; V76-F114 HydrophobicContact CG2-CE2 3.91Å; V76-G116 VanDerWaalsContact O-CA 3.31Å; V76-G116 WeakPolarHBondContact O-CA 3.39Å; V76-G117 PolarHBondContact N-O 2.85Å; V76-V119 HydrophobicContact CG2-CB 4.06Å; V76-V119 HydrophobicContact CG2-CG1 3.38Å; V76-V119 HydrophobicContact CG2-CG2 3.52Å |
| 77 | A | 97.2 | Very high | 92.4 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | K93 | A77-K93 PolarHBondContact N-O 2.62Å; A77-K93 PolarHBondContact O-N 2.84Å |
| 78 | Y | 95.4 | Very high | 91.8 | Very high | 66 Ų | 66 | 43.8 Ų | 43.8 | 26% | 0.259 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 141 | 175.2 | -178.1 | -128.1 | 0 | 0 | 0 | 112 | R80 D89 H90 G91 P112 Y115 | Y78-R80 HydrophobicContact CE1-CG 3.74Å; Y78-R80 PolarHBondContact OH-NE 3.35Å; Y78-D89 PolarHBondContact OH-O 3.38Å; Y78-H90 HydrophobicContact CE2-CB 4.41Å; Y78-H90 AromaticContact CZ-ND1 3.81Å; Y78-H90 PolarHBondContact OH-CE1 3.49Å; Y78-H90 PolarHBondContact OH-ND1 2.78Å; Y78-G91 VanDerWaalsContact CD2-O 3.23Å; Y78-G91 WeakPolarHBondContact CD2-O 3.43Å; Y78-P112 HydrophobicContact CD2-CG 4.16Å; Y78-P112 HydrophobicContact CE2-CG 4.2Å; Y78-Y115 HydrophobicContact CD1-CD1 4.19Å; Y78-Y115 AromaticContact CD2-CD1 3.6Å; Y78-Y115 HydrophobicContact CD2-CD1 3.6Å; Y78-Y115 AromaticContact CD2-CE1 3.91Å; Y78-Y115 HydrophobicContact CD2-CE1 3.91Å; Y78-Y115 HydrophobicContact CE2-CD1 4.15Å; Y78-Y115 AromaticContact CE2-CE1 3.98Å; Y78-Y115 HydrophobicContact CE2-CE1 3.98Å; Y78-Y115 AromaticContact CG-CD1 3.64Å; Y78-Y115 HydrophobicContact CG-CD1 3.64Å; Y78-Y115 HydrophobicContact CG-CE1 4.27Å; Y78-Y115 PolarHBondContact N-O 3.05Å; Y78-Y115 VanDerWaalsContact N-O 3.1Å |
| 79 | H | 94.6 | Very high | 91.5 | Very high | 49 Ų | 49 | 43.8 Ų | 43.8 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138 | -179.6 | 177.7 | 65.7 | 0 | 0 | 0 | 110.9 | G91 K93 V106 | H79-G91 PolarHBondContact N-O 2.98Å; H79-G91 CarbonylContact O-C 3.48Å; H79-G91 WeakPolarHBondContact O-CA 3.31Å; H79-G91 PolarHBondContact O-N 3.31Å; H79-G91 VanDerWaalsContact O-O 3.09Å; H79-K93 HydrophobicContact CB-CB 4.2Å; H79-V106 WeakPolarHBondContact CD2-CG1 3.04Å; H79-V106 WeakPolarHBondContact NE2-CG1 3.46Å |
| 80 | R | 92.8 | Very high | 91.3 | Very high | 127 Ų | 127 | 43.9 Ų | 43.9 | 48% | 0.479 | 25% | 0.249 | S | C | . | . | trans | -116 | 108.2 | 173.6 | -72 | -166.7 | 175.9 | 168.2 | 2.7 | 109 | Y78 F82 D89 | Y78-R80 HydrophobicContact CE1-CG 3.74Å; Y78-R80 PolarHBondContact OH-NE 3.35Å; R80-F82 VanDerWaalsContact C-N 3.3Å; R80-F82 PolarHBondContact O-N 2.86Å; R80-D89 VanDerWaalsContact C-OD1 3.26Å; R80-D89 WeakPolarHBondContact CA-OD1 3.39Å; R80-D89 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 81 | P | 86.2 | Confident | 91.3 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 24% | 0.24 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -64.7 | -30 | -177 | 24 | -34 | 0 | 0 | 0 | 114 | D89 | P81-D89 WeakPolarHBondContact CD-OD1 3.48Å; P81-D89 VanDerWaalsContact N-OD1 3.13Å |
| 82 | F | 85.4 | Confident | 91.4 | Very high | 91 Ų | 91 | 43.9 Ų | 43.9 | 40% | 0.399 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -114.9 | -31.3 | -176.5 | -56.3 | -66.5 | 0 | 0 | 0 | 112.7 | R80 D84 V88 D89 Y109 | R80-F82 VanDerWaalsContact C-N 3.3Å; R80-F82 PolarHBondContact O-N 2.86Å; F82-D84 HydrophobicContact CB-CB 4.4Å; F82-D84 WeakPolarHBondContact CB-OD1 3.03Å; F82-D84 PolarHBondContact O-N 3.03Å; F82-V88 HydrophobicContact CD2-CG2 4.24Å; F82-V88 HydrophobicContact CE2-CG2 3.69Å; F82-D89 WeakPolarHBondContact CA-OD1 3.48Å; F82-D89 HydrophobicContact CD2-CB 4.43Å; F82-D89 PolarHBondContact N-OD1 3.47Å; F82-Y109 AromaticContact CE2-CE1 3.86Å; F82-Y109 HydrophobicContact CE2-CE1 3.86Å; F82-Y109 HydrophobicContact CZ-CE1 4.12Å |
| 83 | G | 87.2 | Confident | 91.6 | Very high | 51 Ų | 51 | 48.2 Ų | 48.2 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 72.4 | 11.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D89 | G83-D89 VanDerWaalsContact C-OD2 3.29Å; G83-D89 WeakPolarHBondContact CA-OD2 3.23Å; G83-D89 VanDerWaalsContact N-CG 3.28Å; G83-D89 PolarHBondContact N-OD1 2.76Å; G83-D89 PolarHBondContact N-OD2 2.85Å |
| 84 | D | 85.1 | Confident | 91.9 | Very high | 99 Ų | 99 | 45.3 Ų | 45.3 | 53% | 0.529 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -99.6 | 1.4 | -176.1 | 67.9 | -1.2 | 0 | 0 | 0 | 113.6 | F82 S86 D89 | F82-D84 HydrophobicContact CB-CB 4.4Å; F82-D84 WeakPolarHBondContact CB-OD1 3.03Å; F82-D84 PolarHBondContact O-N 3.03Å; D84-S86 PolarHBondContact O-N 3.48Å; D84-S86 WeakPolarHBondContact OD1-CB 3.46Å; D84-S86 PolarHBondContact OD1-N 3.01Å; D84-S86 PolarHBondContact OD1-OG 2.87Å; D84-D89 PolarHBondContact N-OD2 2.83Å |
| 85 | S | 82.5 | Confident | 92 | Very high | 87 Ų | 87 | 48.4 Ų | 48.4 | 61% | 0.608 | 27% | 0.271 | S | S | * | . | trans | 58.4 | 22.5 | -175.5 | -48.5 | 0 | 0 | 0 | 0 | 114 | D89 | S85-D89 PolarHBondContact N-OD2 2.96Š| ||
| 86 | S | 84.6 | Confident | 91.7 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | trans | -62.3 | 159.8 | 169.6 | 62.8 | 0 | 0 | 0 | 0 | 110.9 | D84 V88 D89 | D84-S86 PolarHBondContact O-N 3.48Å; D84-S86 WeakPolarHBondContact OD1-CB 3.46Å; D84-S86 PolarHBondContact OD1-N 3.01Å; D84-S86 PolarHBondContact OD1-OG 2.87Å; S86-V88 PolarHBondContact O-N 3.27Å; S86-D89 VanDerWaalsContact O-CB 3.27Å; S86-D89 WeakPolarHBondContact O-CB 3.22Å; S86-D89 PolarHBondContact O-N 3Å | ||
| 87 | C | 86 | Confident | 91.2 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -24.1 | 176.9 | 54.2 | 0 | 0 | 0 | 0 | 115.3 | L129 C133 | C87-L129 WeakPolarHBondContact O-CD1 3.22Å; C87-C133 HydrophobicContact CB-CB 3.67Å; C87-C133 WeakPolarHBondContact CB-SG 3.47Å; C87-C133 WeakPolarHBondContact SG-CB 3.12Å; C87-C133 CovalentContact SG-SG 1.97Å; C87-C133 PolarHBondContact SG-SG 2.7Å |
| 88 | V | 86.7 | Confident | 90.3 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 3.3 | -179.2 | -71.6 | 0 | 0 | 0 | 0 | 112.2 | F82 S86 H90 Y109 L131 L134 | F82-V88 HydrophobicContact CD2-CG2 4.24Å; F82-V88 HydrophobicContact CE2-CG2 3.69Å; S86-V88 PolarHBondContact O-N 3.27Å; V88-H90 PolarHBondContact O-N 2.79Å; V88-Y109 HydrophobicContact CB-CD1 3.78Å; V88-Y109 HydrophobicContact CB-CE1 4.15Å; V88-Y109 HydrophobicContact CG1-CD1 4.37Å; V88-Y109 WeakPolarHBondContact O-CD1 3.3Å; V88-L131 HydrophobicContact CG1-CD2 3.83Å; V88-L134 HydrophobicContact CG2-CD2 3.8Å |
| 89 | D | 91 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -79 | 41 | 179.5 | -164.7 | 31.5 | 0 | 0 | 0 | 112.7 | Y78 R80 P81 F82 G83 D84 S85 S86 | Y78-D89 PolarHBondContact OH-O 3.38Å; R80-D89 VanDerWaalsContact C-OD1 3.26Å; R80-D89 WeakPolarHBondContact CA-OD1 3.39Å; R80-D89 WeakPolarHBondContact CB-OD1 3.34Å; P81-D89 WeakPolarHBondContact CD-OD1 3.48Å; P81-D89 VanDerWaalsContact N-OD1 3.13Å; F82-D89 WeakPolarHBondContact CA-OD1 3.48Å; F82-D89 HydrophobicContact CD2-CB 4.43Å; F82-D89 PolarHBondContact N-OD1 3.47Å; G83-D89 VanDerWaalsContact C-OD2 3.29Å; G83-D89 WeakPolarHBondContact CA-OD2 3.23Å; G83-D89 VanDerWaalsContact N-CG 3.28Å; G83-D89 PolarHBondContact N-OD1 2.76Å; G83-D89 PolarHBondContact N-OD2 2.85Å; D84-D89 PolarHBondContact N-OD2 2.83Å; S85-D89 PolarHBondContact N-OD2 2.96Å; S86-D89 VanDerWaalsContact O-CB 3.27Å; S86-D89 WeakPolarHBondContact O-CB 3.22Å; S86-D89 PolarHBondContact O-N 3Å | ||
| 90 | H | 94.5 | Very high | 88.6 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 26% | 0.259 | 25% | 0.254 | S | S | . | . | trans | -133.2 | 130.8 | -179.3 | -58.5 | -92.3 | 0 | 0 | 0 | 110.6 | Y78 V88 Y109 I110 L129 | Y78-H90 HydrophobicContact CE2-CB 4.41Å; Y78-H90 AromaticContact CZ-ND1 3.81Å; Y78-H90 PolarHBondContact OH-CE1 3.49Å; Y78-H90 PolarHBondContact OH-ND1 2.78Å; V88-H90 PolarHBondContact O-N 2.79Å; H90-Y109 PolarHBondContact O-N 2.66Å; H90-I110 CarbonylContact C-O 3.38Å; H90-I110 WeakPolarHBondContact CB-O 3.39Å; H90-I110 PolarHBondContact O-N 3.3Å; H90-I110 VanDerWaalsContact O-N 3.1Å; H90-L129 HydrophobicContact CB-CD1 4.11Å | ||
| 91 | G | 96.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 178 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y78 H79 I107 | Y78-G91 VanDerWaalsContact CD2-O 3.23Å; Y78-G91 WeakPolarHBondContact CD2-O 3.43Å; H79-G91 PolarHBondContact N-O 2.98Å; H79-G91 CarbonylContact O-C 3.48Å; H79-G91 WeakPolarHBondContact O-CA 3.31Å; H79-G91 PolarHBondContact O-N 3.31Å; H79-G91 VanDerWaalsContact O-O 3.09Å; G91-I107 CarbonylContact C-O 3.49Å; G91-I107 WeakPolarHBondContact CA-O 3.41Å |
| 92 | L | 97.8 | Very high | 88 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.4 | 173.7 | -70.5 | 179.5 | 0 | 0 | 0 | 110.1 | V76 V106 I107 I110 P112 I125 | V76-L92 HydrophobicContact CG1-CB 4.23Å; V76-L92 HydrophobicContact CG1-CD1 3.92Å; V76-L92 HydrophobicContact CG1-CD2 3.52Å; V76-L92 HydrophobicContact CG1-CG 4.09Å; L92-V106 WeakPolarHBondContact O-CA 3.37Å; L92-I107 PolarHBondContact N-O 2.8Å; L92-I107 PolarHBondContact O-N 2.74Å; L92-I110 HydrophobicContact CB-CD1 4.12Å; L92-I110 HydrophobicContact CD1-CD1 3.99Å; L92-I110 HydrophobicContact CG-CD1 3.89Å; L92-P112 HydrophobicContact CD1-CB 4.05Å; L92-P112 HydrophobicContact CD2-CB 3.77Å; L92-P112 HydrophobicContact CD2-CG 3.87Å; L92-P112 HydrophobicContact CG-CB 3.94Å; L92-P112 HydrophobicContact CG-CG 3.98Å; L92-I125 HydrophobicContact CD1-CB 3.85Å; L92-I125 HydrophobicContact CD1-CD1 4.14Å; L92-I125 HydrophobicContact CD1-CG1 4.28Å |
| 93 | K | 97.9 | Very high | 88.3 | Confident | 90 Ų | 90 | 37.7 Ų | 37.7 | 39% | 0.391 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.5 | 166.9 | 180 | -178.7 | -177.3 | -175.7 | 0 | 108.1 | V76 A77 H79 T104 A105 V106 | V76-K93 CarbonylContact C-O 3.59Å; V76-K93 WeakPolarHBondContact CA-O 3.34Å; A77-K93 PolarHBondContact N-O 2.62Å; A77-K93 PolarHBondContact O-N 2.84Å; H79-K93 HydrophobicContact CB-CB 4.2Å; K93-T104 HydrophobicContact CD-CG2 4.13Å; K93-T104 VanDerWaalsContact CE-CG2 3.4Å; K93-T104 HydrophobicContact CG-CG2 3.57Å; K93-A105 CarbonylContact C-O 3.43Å; K93-A105 WeakPolarHBondContact CA-O 3.41Å; K93-V106 HydrophobicContact CB-CG2 4.44Å; K93-V106 HydrophobicContact CG-CG2 4.18Å |
| 94 | I | 97.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 108.8 | -178.7 | -49.9 | -179.6 | 0 | 0 | 0 | 107.7 | A70 P71 F72 T75 V76 T104 A105 I107 V119 I125 | A70-I94 HydrophobicContact CB-CD1 4.42Å; P71-I94 HydrophobicContact CG-CD1 4.36Å; F72-I94 HydrophobicContact CD2-CG2 4.2Å; F72-I94 HydrophobicContact CE2-CB 4.32Å; F72-I94 HydrophobicContact CE2-CG2 3.88Å; T75-I94 WeakPolarHBondContact O-CA 3.47Å; V76-I94 HydrophobicContact CG2-CG1 4.14Å; I94-T104 CarbonylContact O-C 3.59Å; I94-T104 VanDerWaalsContact O-CA 3.27Å; I94-T104 WeakPolarHBondContact O-CA 3.47Å; I94-A105 HydrophobicContact CB-CB 4.45Å; I94-A105 PolarHBondContact N-O 2.89Å; I94-A105 PolarHBondContact O-N 2.82Å; I94-I107 HydrophobicContact CD1-CD1 4.22Å; I94-V119 HydrophobicContact CG2-CG2 3.94Å; I94-I125 HydrophobicContact CD1-CD1 3.91Å |
| 95 | T | 96.6 | Very high | 89.3 | Confident | 65 Ų | 65 | 31.6 Ų | 31.6 | 40% | 0.399 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 117.4 | 174.5 | -55.7 | 0 | 0 | 0 | 0 | 108.3 | G74 T75 | G74-T95 CarbonylContact C-O 3.53Å; G74-T95 WeakPolarHBondContact CA-O 3.46Å; T75-T95 PolarHBondContact N-O 3.32Å; T75-T95 PolarHBondContact O-N 3.17Å |
| 96 | G | 92.5 | Very high | 90 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 148.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F72 D73 W100 Y103 | F72-G96 VanDerWaalsContact CE2-CA 3.49Å; D73-G96 WeakPolarHBondContact O-CA 3.43Å; G96-W100 WeakPolarHBondContact CA-O 3.43Å; G96-Y103 PolarHBondContact N-O 3.39Å |
| 97 | D | 86.3 | Confident | 90.7 | Very high | 40 Ų | 40 | 26.2 Ų | 26.2 | 21% | 0.214 | 16% | 0.157 | C | C | . | . | trans | -122.6 | 175.9 | 169.6 | 62.9 | 24.4 | 0 | 0 | 0 | 111.6 | D73 G74 Q99 W100 K118 | D73-D97 WeakPolarHBondContact CB-OD1 3.42Å; D73-D97 PolarHBondContact O-N 2.87Å; G74-D97 PolarHBondContact N-OD1 2.7Å; D97-Q99 PolarHBondContact O-N 2.88Å; D97-Q99 VanDerWaalsContact O-N 3.14Å; D97-W100 WeakPolarHBondContact O-CB 3.34Å; D97-W100 PolarHBondContact O-N 2.83Å; D97-K118 IonicContact OD2-NZ 3.93Å; D97-K118 PolarHBondContact OD2-NZ 2.69Å | ||
| 98 | G | 78.4 | Confident | 91.1 | Very high | 43 Ų | 43 | 23.5 Ų | 23.5 | 44% | 0.443 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | 54.2 | -121.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112 | W100 L101 | G98-W100 PolarHBondContact O-N 3.19Å; G98-L101 WeakPolarHBondContact O-CB 3.36Å; G98-L101 VanDerWaalsContact O-CD1 3.32Å; G98-L101 WeakPolarHBondContact O-CD1 3.08Å; G98-L101 WeakPolarHBondContact O-CG 3.42Å; G98-L101 PolarHBondContact O-N 2.89Å |
| 99 | Q | 73.5 | Confident | 91.5 | Very high | 35 Ų | 35 | 24.7 Ų | 24.7 | 16% | 0.164 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -73.3 | -10.7 | -180 | -63.4 | 178.2 | 35 | 0 | 0 | 114.2 | D97 Q170 | D97-Q99 PolarHBondContact O-N 2.88Å; D97-Q99 VanDerWaalsContact O-N 3.14Å; Q99-Q170 HydrophobicContact CG-CB 4.29Å |
| 100 | W | 81.9 | Confident | 91.7 | Very high | 8 Ų | 8 | 24.7 Ų | 24.7 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -97.6 | 7.5 | 176.5 | -63.9 | 93.9 | 0 | 0 | 0 | 112.8 | G18 C19 I20 F72 G96 D97 G98 G102 Y103 | G18-W100 WeakPolarHBondContact O-CH2 3.25Å; C19-W100 WeakPolarHBondContact O-CZ2 3.45Å; I20-W100 HydrophobicContact CG1-CH2 3.64Å; I20-W100 HydrophobicContact CG1-CZ3 4.04Å; F72-W100 HydrophobicContact CB-CB 4.25Å; F72-W100 VanDerWaalsContact CB-CD1 3.42Å; F72-W100 HydrophobicContact CB-CD2 3.41Å; F72-W100 VanDerWaalsContact CB-CD2 3.41Å; F72-W100 HydrophobicContact CB-CE3 4.13Å; F72-W100 HydrophobicContact CB-CG 3.45Å; F72-W100 VanDerWaalsContact CB-CG 3.45Å; F72-W100 HydrophobicContact CB-CZ2 3.97Å; F72-W100 VanDerWaalsContact CB-NE1 3.33Å; F72-W100 AromaticContact CD1-CD2 3.59Å; F72-W100 HydrophobicContact CD1-CD2 3.59Å; F72-W100 AromaticContact CD1-CE3 3.37Å; F72-W100 HydrophobicContact CD1-CE3 3.37Å; F72-W100 HydrophobicContact CD1-CG 4.17Å; F72-W100 HydrophobicContact CD1-CH2 4.17Å; F72-W100 HydrophobicContact CD1-CZ2 4.35Å; F72-W100 AromaticContact CD1-CZ3 3.69Å; F72-W100 HydrophobicContact CD1-CZ3 3.69Å; F72-W100 HydrophobicContact CD2-CB 4.01Å; F72-W100 HydrophobicContact CD2-CD2 4.39Å; F72-W100 HydrophobicContact CD2-CG 4.1Å; F72-W100 HydrophobicContact CE1-CD2 4.4Å; F72-W100 AromaticContact CE1-CE3 3.84Å; F72-W100 HydrophobicContact CE1-CE3 3.84Å; F72-W100 HydrophobicContact CE1-CZ3 4.18Å; F72-W100 HydrophobicContact CE2-CB 4.46Å; F72-W100 HydrophobicContact CG-CB 4.07Å; F72-W100 AromaticContact CG-CD2 3.57Å; F72-W100 HydrophobicContact CG-CD2 3.57Å; F72-W100 AromaticContact CG-CE3 3.86Å; F72-W100 HydrophobicContact CG-CE3 3.86Å; F72-W100 AromaticContact CG-CG 3.68Å; F72-W100 HydrophobicContact CG-CG 3.68Å; F72-W100 HydrophobicContact CG-CZ3 4.5Å; G96-W100 WeakPolarHBondContact CA-O 3.43Å; D97-W100 WeakPolarHBondContact O-CB 3.34Å; D97-W100 PolarHBondContact O-N 2.83Å; G98-W100 PolarHBondContact O-N 3.19Å; W100-G102 PolarHBondContact O-N 3.33Å; W100-Y103 HydrophobicContact CE3-CD1 4.41Å; W100-Y103 HydrophobicContact CE3-CD2 4.01Å; W100-Y103 HydrophobicContact CE3-CE2 4.47Å; W100-Y103 AromaticContact CE3-CG 3.95Å; W100-Y103 HydrophobicContact CE3-CG 3.95Å; W100-Y103 WeakPolarHBondContact O-CA 3.39Å; W100-Y103 VanDerWaalsContact O-CB 3.29Å; W100-Y103 WeakPolarHBondContact O-CB 3.19Å; W100-Y103 PolarHBondContact O-N 3.15Å |
| 101 | L | 82.2 | Confident | 91.8 | Very high | 70 Ų | 70 | 29 Ų | 29 | 37% | 0.366 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 134 | 173.9 | -77 | 167.9 | 0 | 0 | 0 | 110.7 | G98 Y103 I176 | G98-L101 WeakPolarHBondContact O-CB 3.36Å; G98-L101 VanDerWaalsContact O-CD1 3.32Å; G98-L101 WeakPolarHBondContact O-CD1 3.08Å; G98-L101 WeakPolarHBondContact O-CG 3.42Å; G98-L101 PolarHBondContact O-N 2.89Å; L101-Y103 VanDerWaalsContact C-N 3.26Å; L101-Y103 PolarHBondContact O-N 2.97Å; L101-I176 HydrophobicContact CB-CG2 3.28Å; L101-I176 HydrophobicContact CD1-CD1 3.66Å; L101-I176 HydrophobicContact CD1-CG1 3.84Å; L101-I176 HydrophobicContact CD1-CG2 4Å; L101-I176 HydrophobicContact CG-CG2 4.28Å |
| 102 | G | 84.7 | Confident | 91.8 | Very high | 35 Ų | 35 | 29.5 Ų | 29.5 | 36% | 0.361 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -18.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W100 R151 E152 | W100-G102 PolarHBondContact O-N 3.33Å; G102-R151 CarbonylContact O-C 3.54Å; G102-R151 WeakPolarHBondContact O-CA 3.05Å; G102-E152 PolarHBondContact O-N 3.37Å |
| 103 | Y | 91 | Very high | 91.7 | Very high | 20 Ų | 20 | 34.1 Ų | 34.1 | 8% | 0.078 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 149.7 | 169.8 | -68.3 | -93.7 | 0 | 0 | 0 | 111.7 | G96 W100 L101 L149 Y150 R151 I156 H161 G317 | G96-Y103 PolarHBondContact N-O 3.39Å; W100-Y103 HydrophobicContact CE3-CD1 4.41Å; W100-Y103 HydrophobicContact CE3-CD2 4.01Å; W100-Y103 HydrophobicContact CE3-CE2 4.47Å; W100-Y103 AromaticContact CE3-CG 3.95Å; W100-Y103 HydrophobicContact CE3-CG 3.95Å; W100-Y103 WeakPolarHBondContact O-CA 3.39Å; W100-Y103 VanDerWaalsContact O-CB 3.29Å; W100-Y103 WeakPolarHBondContact O-CB 3.19Å; W100-Y103 PolarHBondContact O-N 3.15Å; L101-Y103 VanDerWaalsContact C-N 3.26Å; L101-Y103 PolarHBondContact O-N 2.97Å; Y103-L149 HydrophobicContact CD1-CD1 3.94Å; Y103-L149 HydrophobicContact CD1-CD2 4.12Å; Y103-L149 HydrophobicContact CD1-CG 4.06Å; Y103-L149 HydrophobicContact CE1-CD2 4.26Å; Y103-Y150 CarbonylContact C-O 3.5Å; Y103-Y150 VanDerWaalsContact CA-O 3.23Å; Y103-Y150 WeakPolarHBondContact CA-O 3.37Å; Y103-R151 HydrophobicContact CD1-CB 4.28Å; Y103-R151 HydrophobicContact CE1-CB 4.23Å; Y103-R151 HydrophobicContact CE1-CG 4.3Å; Y103-I156 HydrophobicContact CD1-CD1 4.45Å; Y103-I156 HydrophobicContact CE1-CD1 3.92Å; Y103-H161 AromaticContact CE1-CD2 3.98Å; Y103-H161 AromaticContact CE1-NE2 3.6Å; Y103-H161 AromaticContact CZ-NE2 3.96Å; Y103-H161 PolarHBondContact OH-NE2 2.86Å; Y103-G317 WeakPolarHBondContact OH-CA 3.15Å; Y103-G317 PolarHBondContact OH-O 2.95Å |
| 104 | T | 95.8 | Very high | 91.6 | Very high | 22 Ų | 22 | 32.8 Ų | 32.8 | 14% | 0.135 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 122.4 | 168.7 | -60.3 | 0 | 0 | 0 | 0 | 109.1 | K93 I94 Y150 | K93-T104 HydrophobicContact CD-CG2 4.13Å; K93-T104 VanDerWaalsContact CE-CG2 3.4Å; K93-T104 HydrophobicContact CG-CG2 3.57Å; I94-T104 CarbonylContact O-C 3.59Å; I94-T104 VanDerWaalsContact O-CA 3.27Å; I94-T104 WeakPolarHBondContact O-CA 3.47Å; T104-Y150 PolarHBondContact N-O 3.45Å; T104-Y150 PolarHBondContact O-N 3.42Å |
| 105 | A | 97.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 136.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109 | P71 F72 K93 I94 F147 Q148 L149 | P71-A105 HydrophobicContact CG-CB 3.68Å; F72-A105 HydrophobicContact CE1-CB 3.75Å; F72-A105 HydrophobicContact CE2-CB 4.43Å; F72-A105 HydrophobicContact CZ-CB 3.55Å; K93-A105 CarbonylContact C-O 3.43Å; K93-A105 WeakPolarHBondContact CA-O 3.41Å; I94-A105 HydrophobicContact CB-CB 4.45Å; I94-A105 PolarHBondContact N-O 2.89Å; I94-A105 PolarHBondContact O-N 2.82Å; A105-F147 HydrophobicContact CB-CE2 3.81Å; A105-F147 HydrophobicContact CB-CZ 3.91Å; A105-Q148 CarbonylContact C-O 3.59Å; A105-Q148 WeakPolarHBondContact CA-O 3.01Å; A105-L149 HydrophobicContact CB-CD1 4.48Å |
| 106 | V | 97.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 120.8 | 169.9 | 179.4 | 0 | 0 | 0 | 0 | 107.2 | H79 L92 K93 Q148 Y150 | H79-V106 WeakPolarHBondContact CD2-CG1 3.04Å; H79-V106 WeakPolarHBondContact NE2-CG1 3.46Å; L92-V106 WeakPolarHBondContact O-CA 3.37Å; K93-V106 HydrophobicContact CB-CG2 4.44Å; K93-V106 HydrophobicContact CG-CG2 4.18Å; V106-Q148 HydrophobicContact CB-CB 4.25Å; V106-Q148 PolarHBondContact N-O 3.39Å; V106-Q148 PolarHBondContact O-N 3.21Å; V106-Y150 HydrophobicContact CB-CE2 4.44Å; V106-Y150 HydrophobicContact CG2-CD2 4.18Å; V106-Y150 HydrophobicContact CG2-CE2 3.72Å |
| 107 | I | 97.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 112.2 | -177.7 | -50.5 | -178.6 | 0 | 0 | 0 | 107.4 | I23 V68 P71 G91 L92 I94 I110 I125 I145 L146 F147 | I23-I107 HydrophobicContact CG2-CD1 4.41Å; V68-I107 HydrophobicContact CG1-CG2 4.22Å; P71-I107 HydrophobicContact CG-CD1 4.28Å; G91-I107 CarbonylContact C-O 3.49Å; G91-I107 WeakPolarHBondContact CA-O 3.41Å; L92-I107 PolarHBondContact N-O 2.8Å; L92-I107 PolarHBondContact O-N 2.74Å; I94-I107 HydrophobicContact CD1-CD1 4.22Å; I107-I110 HydrophobicContact CB-CD1 4.35Å; I107-I110 HydrophobicContact CG2-CD1 4.14Å; I107-I110 HydrophobicContact CG2-CG2 4Å; I107-I125 HydrophobicContact CD1-CD1 3.74Å; I107-I145 HydrophobicContact CG2-CD1 3.97Å; I107-L146 WeakPolarHBondContact CA-O 3.33Å; I107-F147 HydrophobicContact CD1-CD2 4.33Å; I107-F147 HydrophobicContact CD1-CE2 4.27Å; I107-F147 HydrophobicContact CG1-CD2 3.86Å; I107-F147 HydrophobicContact CG1-CE2 4.06Å |
| 108 | S | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 162.4 | -178.1 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | I145 L146 | S108-I145 WeakPolarHBondContact O-CB 3.17Å; S108-L146 PolarHBondContact N-O 3.47Å; S108-L146 PolarHBondContact O-N 2.86Å |
| 109 | Y | 94.5 | Very high | 92.8 | Very high | 26 Ų | 26 | 43 Ų | 43 | 10% | 0.102 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 70.9 | 40.3 | -176.9 | -41.4 | -32.8 | 0 | 0 | 0 | 112.8 | F82 V88 H90 L129 L131 L146 | F82-Y109 AromaticContact CE2-CE1 3.86Å; F82-Y109 HydrophobicContact CE2-CE1 3.86Å; F82-Y109 HydrophobicContact CZ-CE1 4.12Å; V88-Y109 HydrophobicContact CB-CD1 3.78Å; V88-Y109 HydrophobicContact CB-CE1 4.15Å; V88-Y109 HydrophobicContact CG1-CD1 4.37Å; V88-Y109 WeakPolarHBondContact O-CD1 3.3Å; H90-Y109 PolarHBondContact O-N 2.66Å; Y109-L129 WeakPolarHBondContact O-CB 3.45Å; Y109-L129 PolarHBondContact O-N 2.93Å; Y109-L131 HydrophobicContact CD2-CD2 4Å; Y109-L131 HydrophobicContact CG-CD2 4.01Å; Y109-L146 HydrophobicContact CD2-CB 4.04Å; Y109-L146 HydrophobicContact CE2-CB 3.66Å |
| 110 | I | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146.7 | 177.6 | 64.9 | 165.6 | 0 | 0 | 0 | 110.9 | V68 H90 L92 I107 P112 I125 R127 I145 | V68-I110 HydrophobicContact CB-CG2 4.36Å; V68-I110 HydrophobicContact CG1-CG2 4.24Å; V68-I110 HydrophobicContact CG2-CG2 3.84Å; H90-I110 CarbonylContact C-O 3.38Å; H90-I110 WeakPolarHBondContact CB-O 3.39Å; H90-I110 PolarHBondContact O-N 3.3Å; H90-I110 VanDerWaalsContact O-N 3.1Å; L92-I110 HydrophobicContact CB-CD1 4.12Å; L92-I110 HydrophobicContact CD1-CD1 3.99Å; L92-I110 HydrophobicContact CG-CD1 3.89Å; I107-I110 HydrophobicContact CB-CD1 4.35Å; I107-I110 HydrophobicContact CG2-CD1 4.14Å; I107-I110 HydrophobicContact CG2-CG2 4Å; I110-P112 VanDerWaalsContact O-CD 3.29Å; I110-P112 WeakPolarHBondContact O-CD 3.48Å; I110-I125 HydrophobicContact CD1-CD1 4.35Å; I110-R127 CarbonylContact C-O 3.07Å; I110-R127 VanDerWaalsContact CA-O 3.25Å; I110-R127 WeakPolarHBondContact CA-O 3.25Å; I110-I145 HydrophobicContact CG2-CG2 3.82Å |
| 111 | R | 95.4 | Very high | 94.3 | Very high | 147 Ų | 147 | 52.8 Ų | 52.8 | 56% | 0.555 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 106.1 | 163.8 | -172.6 | -177 | -63.8 | 138.3 | 0.8 | 107.9 | D65 G126 R127 L129 | D65-R111 IonicContact OD1-NH1 3.36Å; R111-G126 CarbonylContact O-C 3.54Å; R111-G126 WeakPolarHBondContact O-CA 3.21Å; R111-R127 PolarHBondContact N-O 3.46Å; R111-R127 PolarHBondContact O-N 3.15Å; R111-L129 HydrophobicContact CB-CD2 3.86Å |
| 112 | P | 96 | Very high | 94.8 | Very high | 10 Ų | 10 | 51.2 Ų | 51.2 | 7% | 0.065 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 144.7 | -178.7 | -20.5 | 35.1 | 0 | 0 | 0 | 111.7 | Y78 L92 I110 F114 Y115 | Y78-P112 HydrophobicContact CD2-CG 4.16Å; Y78-P112 HydrophobicContact CE2-CG 4.2Å; L92-P112 HydrophobicContact CD1-CB 4.05Å; L92-P112 HydrophobicContact CD2-CB 3.77Å; L92-P112 HydrophobicContact CD2-CG 3.87Å; L92-P112 HydrophobicContact CG-CB 3.94Å; L92-P112 HydrophobicContact CG-CG 3.98Å; I110-P112 VanDerWaalsContact O-CD 3.29Å; I110-P112 WeakPolarHBondContact O-CD 3.48Å; P112-F114 VanDerWaalsContact C-N 3.33Å; P112-F114 WeakPolarHBondContact CB-O 3.23Å; P112-Y115 HydrophobicContact CG-CE1 4.47Å |
| 113 | L | 96.4 | Very high | 95.4 | Very high | 97 Ų | 97 | 51.3 Ų | 51.3 | 51% | 0.508 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -74.7 | -28.5 | 168.3 | -69.1 | -179.2 | 0 | 0 | 0 | 112 | E124 I125 | L113-E124 HydrophobicContact CD1-CB 4.27Å; L113-E124 HydrophobicContact CD1-CG 3.71Å; L113-I125 PolarHBondContact N-O 2.72Å |
| 114 | F | 95.9 | Very high | 95.7 | Very high | 61 Ų | 61 | 53.5 Ų | 53.5 | 27% | 0.268 | 27% | 0.269 | S | S | . | . | trans | -151.2 | 158.2 | -179.8 | 48.8 | -91.6 | 0 | 0 | 0 | 109.6 | V76 P112 V119 I125 | V76-F114 HydrophobicContact CB-CE2 4.12Å; V76-F114 HydrophobicContact CG1-CD2 4.39Å; V76-F114 HydrophobicContact CG1-CE2 4.11Å; V76-F114 HydrophobicContact CG2-CE2 3.91Å; P112-F114 VanDerWaalsContact C-N 3.33Å; P112-F114 WeakPolarHBondContact CB-O 3.23Å; F114-V119 HydrophobicContact CE2-CG1 3.56Å; F114-V119 HydrophobicContact CZ-CG1 3.4Å; F114-I125 HydrophobicContact CZ-CB 4.36Å; F114-I125 HydrophobicContact CZ-CG2 4.07Å | ||
| 115 | Y | 92.7 | Very high | 95.8 | Very high | 142 Ų | 142 | 52.4 Ų | 52.4 | 56% | 0.557 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -103.4 | -4.5 | -172.3 | -62.5 | -81.9 | 0 | 0 | 0 | 113.9 | Y78 P112 | Y78-Y115 HydrophobicContact CD1-CD1 4.19Å; Y78-Y115 AromaticContact CD2-CD1 3.6Å; Y78-Y115 HydrophobicContact CD2-CD1 3.6Å; Y78-Y115 AromaticContact CD2-CE1 3.91Å; Y78-Y115 HydrophobicContact CD2-CE1 3.91Å; Y78-Y115 HydrophobicContact CE2-CD1 4.15Å; Y78-Y115 AromaticContact CE2-CE1 3.98Å; Y78-Y115 HydrophobicContact CE2-CE1 3.98Å; Y78-Y115 AromaticContact CG-CD1 3.64Å; Y78-Y115 HydrophobicContact CG-CD1 3.64Å; Y78-Y115 HydrophobicContact CG-CE1 4.27Å; Y78-Y115 PolarHBondContact N-O 3.05Å; Y78-Y115 VanDerWaalsContact N-O 3.1Å; P112-Y115 HydrophobicContact CG-CE1 4.47Å |
| 116 | G | 95.3 | Very high | 95.8 | Very high | 40 Ų | 40 | 52.4 Ų | 52.4 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 169.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V76 | V76-G116 VanDerWaalsContact O-CA 3.31Å; V76-G116 WeakPolarHBondContact O-CA 3.39Å |
| 117 | G | 96.1 | Very high | 95.8 | Very high | 39 Ų | 39 | 55.9 Ų | 55.9 | 40% | 0.402 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.7 | -172.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T75 V76 | T75-G117 CarbonylContact C-O 3.46Å; T75-G117 WeakPolarHBondContact CA-O 3.4Å; V76-G117 PolarHBondContact N-O 2.85Å |
| 118 | K | 96.7 | Very high | 95.7 | Very high | 135 Ų | 135 | 56.1 Ų | 56.1 | 59% | 0.587 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 141.7 | 175.8 | -76 | -67.5 | -166 | 175.8 | 0 | 110.7 | G74 T75 D97 | G74-K118 WeakPolarHBondContact O-CA 3.38Å; G74-K118 WeakPolarHBondContact O-CD 3.05Å; T75-K118 WeakPolarHBondContact OG1-CD 3.45Å; T75-K118 VanDerWaalsContact OG1-CE 3.28Å; T75-K118 WeakPolarHBondContact OG1-CE 3.42Å; T75-K118 PolarHBondContact OG1-NZ 3.39Å; D97-K118 IonicContact OD2-NZ 3.93Å; D97-K118 PolarHBondContact OD2-NZ 2.69Å |
| 119 | V | 96.1 | Very high | 95.6 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 151.8 | 173.4 | -68.2 | 0 | 0 | 0 | 0 | 110.5 | A70 D73 G74 V76 I94 F114 I125 | A70-V119 HydrophobicContact CB-CB 4.19Å; A70-V119 HydrophobicContact CB-CG2 4.01Å; D73-V119 WeakPolarHBondContact CA-O 3.4Å; G74-V119 PolarHBondContact N-O 2.86Å; G74-V119 PolarHBondContact O-N 3.49Å; V76-V119 HydrophobicContact CG2-CB 4.06Å; V76-V119 HydrophobicContact CG2-CG1 3.38Å; V76-V119 HydrophobicContact CG2-CG2 3.52Å; I94-V119 HydrophobicContact CG2-CG2 3.94Å; F114-V119 HydrophobicContact CE2-CG1 3.56Å; F114-V119 HydrophobicContact CZ-CG1 3.4Å; V119-I125 HydrophobicContact CG1-CG2 4.1Å |
| 120 | R | 93.6 | Very high | 95.3 | Very high | 199 Ų | 199 | 59.5 Ų | 59.5 | 75% | 0.751 | 30% | 0.299 | S | S | * | . | trans | -102.7 | 151.1 | 168.7 | -65.9 | -176.9 | 179.5 | 176.9 | -0.3 | 109.6 | A70 D73 G122 A123 | A70-R120 WeakPolarHBondContact CB-O 3.46Å; D73-R120 WeakPolarHBondContact OD1-CA 3.44Å; R120-G122 PolarHBondContact O-N 3.39Å; R120-A123 WeakPolarHBondContact O-CB 3.23Å; R120-A123 PolarHBondContact O-N 2.97Å | ||
| 121 | K | 92.3 | Very high | 94.8 | Very high | 50 Ų | 50 | 60.1 Ų | 60.1 | 22% | 0.217 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | 131.4 | 170.2 | -172.8 | 178 | -176.9 | -162.1 | 0 | 110 | E15 C19 D73 A123 | E15-K121 WeakPolarHBondContact OE2-CE 3.33Å; E15-K121 IonicContact OE2-NZ 3.96Å; E15-K121 PolarHBondContact OE2-NZ 2.77Å; C19-K121 WeakPolarHBondContact O-CE 3.15Å; C19-K121 PolarHBondContact O-NZ 3.39Å; D73-K121 PolarHBondContact OD1-N 2.62Å; K121-A123 VanDerWaalsContact C-N 3.26Å; K121-A123 PolarHBondContact O-N 2.74Å |
| 122 | G | 94.1 | Very high | 94.1 | Very high | 37 Ų | 37 | 57.1 Ų | 57.1 | 38% | 0.381 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -1.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y69 A70 R120 | Y69-G122 VanDerWaalsContact CD1-O 3.31Å; Y69-G122 WeakPolarHBondContact CD1-O 3.44Å; A70-G122 PolarHBondContact O-N 3.5Å; R120-G122 PolarHBondContact O-N 3.39Å |
| 123 | A | 96 | Very high | 93.3 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 31% | 0.306 | 32% | 0.32 | S | S | . | . | trans | -69.5 | 142.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y69 A70 R120 K121 I125 | Y69-A123 CarbonylContact C-O 3.55Å; Y69-A123 VanDerWaalsContact CA-O 3.24Å; Y69-A123 WeakPolarHBondContact CA-O 3.32Å; A70-A123 PolarHBondContact N-O 2.86Å; R120-A123 WeakPolarHBondContact O-CB 3.23Å; R120-A123 PolarHBondContact O-N 2.97Å; K121-A123 VanDerWaalsContact C-N 3.26Å; K121-A123 PolarHBondContact O-N 2.74Å; A123-I125 PolarHBondContact O-N 2.83Å | ||
| 124 | E | 97.8 | Very high | 92.4 | Very high | 66 Ų | 66 | 56.9 Ų | 56.9 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 126.4 | 173.4 | -170.6 | -178.4 | 155.3 | 0 | 0 | 110.2 | K67 Y69 L113 | K67-E124 HydrophobicContact CB-CG 4.21Å; K67-E124 HydrophobicContact CD-CG 4.47Å; K67-E124 WeakPolarHBondContact CD-OE2 3.45Å; K67-E124 HydrophobicContact CG-CG 4.31Å; Y69-E124 HydrophobicContact CD1-CB 4.38Å; Y69-E124 HydrophobicContact CE1-CB 4.41Å; L113-E124 HydrophobicContact CD1-CB 4.27Å; L113-E124 HydrophobicContact CD1-CG 3.71Å |
| 125 | I | 97.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -14.8 | -177.5 | 60.8 | 171.5 | 0 | 0 | 0 | 113.3 | V68 A70 L92 I94 I107 I110 L113 F114 V119 A123 | V68-I125 HydrophobicContact CB-CG1 4.34Å; V68-I125 HydrophobicContact CG1-CD1 4.07Å; V68-I125 HydrophobicContact CG1-CG1 4.05Å; V68-I125 VanDerWaalsContact O-CG1 3.28Å; V68-I125 WeakPolarHBondContact O-CG1 3.21Å; V68-I125 PolarHBondContact O-N 3.21Å; A70-I125 HydrophobicContact CB-CG2 3.73Å; L92-I125 HydrophobicContact CD1-CB 3.85Å; L92-I125 HydrophobicContact CD1-CD1 4.14Å; L92-I125 HydrophobicContact CD1-CG1 4.28Å; I94-I125 HydrophobicContact CD1-CD1 3.91Å; I107-I125 HydrophobicContact CD1-CD1 3.74Å; I110-I125 HydrophobicContact CD1-CD1 4.35Å; L113-I125 PolarHBondContact N-O 2.72Å; F114-I125 HydrophobicContact CZ-CB 4.36Å; F114-I125 HydrophobicContact CZ-CG2 4.07Å; V119-I125 HydrophobicContact CG1-CG2 4.1Å; A123-I125 PolarHBondContact O-N 2.83Å |
| 126 | G | 97.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | -174.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113 | V68 R111 | V68-G126 PolarHBondContact N-O 2.98Å; V68-G126 PolarHBondContact O-N 3.14Å; R111-G126 CarbonylContact O-C 3.54Å; R111-G126 WeakPolarHBondContact O-CA 3.21Å |
| 127 | R | 97.7 | Very high | 87.4 | Confident | 78 Ų | 78 | 68.3 Ų | 68.3 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.4 | 169.5 | -66.4 | -176.8 | 174.8 | -94.7 | -4.8 | 110.3 | D65 S66 I110 R111 | D65-R127 PolarHBondContact O-NH1 2.99Å; D65-R127 VanDerWaalsContact OD1-CD 3.26Å; D65-R127 WeakPolarHBondContact OD1-CD 3.08Å; D65-R127 IonicContact OD2-NH1 2.64Å; S66-R127 CarbonylContact O-C 3.19Å; S66-R127 VanDerWaalsContact O-CA 3.26Å; S66-R127 WeakPolarHBondContact O-CA 3.3Å; I110-R127 CarbonylContact C-O 3.07Å; I110-R127 VanDerWaalsContact CA-O 3.25Å; I110-R127 WeakPolarHBondContact CA-O 3.25Å; R111-R127 PolarHBondContact N-O 3.46Å; R111-R127 PolarHBondContact O-N 3.15Å |
| 128 | S | 96.1 | Very high | 85.5 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 3% | 0.028 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 143.6 | 174.2 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | C62 Q63 D65 S66 | C62-S128 VanDerWaalsContact SG-CB 3.56Å; Q63-S128 PolarHBondContact O-OG 3.08Å; D65-S128 WeakPolarHBondContact CA-O 3.41Å; D65-S128 PolarHBondContact N-O 3.21Å; D65-S128 PolarHBondContact N-OG 2.77Å; D65-S128 VanDerWaalsContact N-OG 3.16Å; S66-S128 PolarHBondContact N-OG 2.92Å; S66-S128 VanDerWaalsContact N-OG 3.11Å; S66-S128 PolarHBondContact O-N 2.84Å; S66-S128 PolarHBondContact O-OG 3.2Å |
| 129 | L | 93.9 | Very high | 83.7 | Confident | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 157.9 | 176.8 | -66.3 | 170.3 | 0 | 0 | 0 | 110.9 | C87 H90 Y109 R111 | C87-L129 WeakPolarHBondContact O-CD1 3.22Å; H90-L129 HydrophobicContact CB-CD1 4.11Å; Y109-L129 WeakPolarHBondContact O-CB 3.45Å; Y109-L129 PolarHBondContact O-N 2.93Å; R111-L129 HydrophobicContact CB-CD2 3.86Å |
| 130 | T | 88.4 | Confident | 82.2 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 137.1 | 162.8 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | S132 | T130-S132 VanDerWaalsContact C-N 3.27Å; T130-S132 WeakPolarHBondContact CG2-OG 3.31Å; T130-S132 VanDerWaalsContact OG1-CB 3.31Å; T130-S132 WeakPolarHBondContact OG1-CB 2.72Å; T130-S132 PolarHBondContact OG1-N 2.02Å; T130-S132 PolarHBondContact OG1-OG 3.23Å |
| 131 | L | 85.7 | Confident | 81.2 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 7% | 0.068 | 36% | 0.36 | C | S | . | . | trans | -87.2 | 3.8 | 175.9 | -57.6 | -178.8 | 0 | 0 | 0 | 112.6 | V88 Y109 C133 L134 H144 | V88-L131 HydrophobicContact CG1-CD2 3.83Å; Y109-L131 HydrophobicContact CD2-CD2 4Å; Y109-L131 HydrophobicContact CG-CD2 4.01Å; L131-C133 PolarHBondContact O-N 2.65Å; L131-L134 HydrophobicContact CB-CD1 4.14Å; L131-L134 HydrophobicContact CD2-CD1 4.43Å; L131-L134 WeakPolarHBondContact O-CB 3.43Å; L131-L134 PolarHBondContact O-N 3.09Å; L131-H144 WeakPolarHBondContact CD1-CE1 3.3Å | ||
| 132 | S | 80.9 | Confident | 80.9 | Confident | 84 Ų | 84 | 67.3 Ų | 67.3 | 59% | 0.587 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.2 | -173.4 | 58.7 | 0 | 0 | 0 | 0 | 115.6 | T130 | T130-S132 VanDerWaalsContact C-N 3.27Å; T130-S132 WeakPolarHBondContact CG2-OG 3.31Å; T130-S132 VanDerWaalsContact OG1-CB 3.31Å; T130-S132 WeakPolarHBondContact OG1-CB 2.72Å; T130-S132 PolarHBondContact OG1-N 2.02Å; T130-S132 PolarHBondContact OG1-OG 3.23Å |
| 133 | C | 78 | Confident | 80.7 | Confident | 60 Ų | 60 | 67.4 Ų | 67.4 | 41% | 0.405 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -5.9 | 178.7 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | C87 L131 | C87-C133 HydrophobicContact CB-CB 3.67Å; C87-C133 WeakPolarHBondContact CB-SG 3.47Å; C87-C133 WeakPolarHBondContact SG-CB 3.12Å; C87-C133 CovalentContact SG-SG 1.97Å; C87-C133 PolarHBondContact SG-SG 2.7Å; L131-C133 PolarHBondContact O-N 2.65Å |
| 134 | L | 77.2 | Confident | 80.6 | Confident | 43 Ų | 43 | 66.3 Ų | 66.3 | 23% | 0.225 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -65.7 | 143.4 | 169.7 | -69.4 | 176.8 | 0 | 0 | 0 | 109.7 | V88 L131 R136 | V88-L134 HydrophobicContact CG2-CD2 3.8Å; L131-L134 HydrophobicContact CB-CD1 4.14Å; L131-L134 HydrophobicContact CD2-CD1 4.43Å; L131-L134 WeakPolarHBondContact O-CB 3.43Å; L131-L134 PolarHBondContact O-N 3.09Å; L134-R136 PolarHBondContact O-N 3.48Å |
| 135 | P | 61.1 | Low | 80.5 | Confident | 122 Ų | 122 | 63.2 Ų | 63.2 | 79% | 0.792 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -67.8 | 9.1 | -166.2 | 22.4 | -31.9 | 0 | 0 | 0 | 116.4 | ||
| 136 | R | 64 | Low | 80.4 | Confident | 133 Ų | 133 | 63.8 Ų | 63.8 | 50% | 0.502 | 33% | 0.334 | S | S | . | . | trans | -118.1 | 99.2 | 175.7 | -73.8 | -172.6 | 178 | -179.5 | 2.7 | 110.4 | L134 D138 F141 | L134-R136 PolarHBondContact O-N 3.48Å; R136-D138 VanDerWaalsContact C-N 3.32Å; R136-F141 HydrophobicContact CB-CZ 4.1Å; R136-F141 VanDerWaalsContact O-CE2 3.29Å; R136-F141 WeakPolarHBondContact O-CE2 3.13Å | ||
| 137 | R | 53.4 | Low | 80.4 | Confident | 228 Ų | 228 | 63.8 Ų | 63.8 | 86% | 0.86 | 33% | 0.334 | S | S | * | . | trans | -80.9 | -13.6 | 176.4 | -67.1 | -178.6 | -177.5 | 179.8 | 1.5 | 113.1 | S139 | R137-S139 PolarHBondContact O-N 2.67Š| ||
| 138 | D | 57.4 | Low | 80.4 | Confident | 154 Ų | 154 | 61.5 Ų | 61.5 | 82% | 0.824 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -91.4 | 5.6 | -165.1 | -52.2 | -32.9 | 0 | 0 | 0 | 114 | R136 | R136-D138 VanDerWaalsContact C-N 3.32Š|
| 139 | S | 58.7 | Low | 80.4 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -140.6 | 122.3 | 172.4 | -64.7 | 0 | 0 | 0 | 0 | 109.8 | R137 F141 | R137-S139 PolarHBondContact O-N 2.67Å; S139-F141 PolarHBondContact O-N 2.89Å |
| 140 | P | 65.3 | Low | 80.3 | Confident | 109 Ų | 109 | 63.4 Ų | 63.4 | 71% | 0.708 | 33% | 0.333 | S | S | * | . | trans | -64.2 | 112.9 | 173.6 | 26.4 | -31.3 | 0 | 0 | 0 | 108.3 | L38 | L38-P140 HydrophobicContact CD1-CG 4.31Š| ||
| 141 | F | 72.2 | Confident | 80.3 | Confident | 50 Ų | 50 | 60.9 Ų | 60.9 | 22% | 0.219 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 134 | 170.1 | -58.1 | -80 | 0 | 0 | 0 | 108.7 | D39 R136 S139 P143 | D39-F141 WeakPolarHBondContact OD2-CD1 3.49Å; D39-F141 WeakPolarHBondContact OD2-CE1 3.33Å; R136-F141 HydrophobicContact CB-CZ 4.1Å; R136-F141 VanDerWaalsContact O-CE2 3.29Å; R136-F141 WeakPolarHBondContact O-CE2 3.13Å; S139-F141 PolarHBondContact O-N 2.89Å; F141-P143 VanDerWaalsContact O-CD 3.23Å; F141-P143 WeakPolarHBondContact O-CD 3.44Å |
| 142 | E | 85.7 | Confident | 80.3 | Confident | 60 Ų | 60 | 66.3 Ų | 66.3 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 120.3 | 163.7 | -175.1 | 166.9 | -119.4 | 0 | 0 | 107.6 | R33 V61 H144 | R33-E142 WeakPolarHBondContact CA-OE2 3.22Å; R33-E142 HydrophobicContact CG-CB 4.15Å; R33-E142 WeakPolarHBondContact CG-OE2 3.25Å; V61-E142 HydrophobicContact CG1-CG 4.33Å; V61-E142 HydrophobicContact CG2-CG 4.3Å; E142-H144 PolarHBondContact O-N 2.98Å; E142-H144 PolarHBondContact O-ND1 2.84Å |
| 143 | P | 90.8 | Very high | 80.8 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 26% | 0.26 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 128.6 | -178.1 | -27.9 | 37.2 | 0 | 0 | 0 | 111.3 | C62 F141 | C62-P143 PolarHBondContact N-O 3.25Å; C62-P143 CarbonylContact O-C 3.4Å; C62-P143 WeakPolarHBondContact O-CB 3.02Å; F141-P143 VanDerWaalsContact O-CD 3.23Å; F141-P143 WeakPolarHBondContact O-CD 3.44Å |
| 144 | H | 93.7 | Very high | 81.4 | Confident | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.065 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 164 | -175.6 | 64.6 | -86.1 | 0 | 0 | 0 | 112.3 | D59 I60 L131 E142 | D59-H144 HydrophobicContact CB-CB 4.15Å; D59-H144 VanDerWaalsContact CG-CD2 3.47Å; D59-H144 IonicContact OD1-CD2 3.32Å; D59-H144 IonicContact OD1-NE2 3.88Å; D59-H144 IonicContact OD2-CD2 3.74Å; D59-H144 IonicContact OD2-NE2 2.86Å; I60-H144 CarbonylContact O-C 3.5Å; I60-H144 WeakPolarHBondContact O-CA 3.36Å; I60-H144 VanDerWaalsContact O-CB 3.27Å; I60-H144 WeakPolarHBondContact O-CB 3.25Å; L131-H144 WeakPolarHBondContact CD1-CE1 3.3Å; E142-H144 PolarHBondContact O-N 2.98Å; E142-H144 PolarHBondContact O-ND1 2.84Å |
| 145 | I | 95.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 152.3 | 165.8 | 60.2 | 177.1 | 0 | 0 | 0 | 109.3 | I23 D59 I60 C62 V68 I107 S108 I110 | I23-I145 HydrophobicContact CG2-CD1 3.51Å; D59-I145 CarbonylContact C-O 3.4Å; D59-I145 WeakPolarHBondContact CA-O 3.45Å; I60-I145 HydrophobicContact CB-CD1 4.47Å; I60-I145 HydrophobicContact CB-CG1 3.97Å; I60-I145 PolarHBondContact N-O 3.47Å; I60-I145 PolarHBondContact O-N 2.86Å; C62-I145 HydrophobicContact CB-CG1 4.35Å; C62-I145 HydrophobicContact CB-CG2 4.06Å; V68-I145 HydrophobicContact CG1-CD1 4.24Å; I107-I145 HydrophobicContact CG2-CD1 3.97Å; S108-I145 WeakPolarHBondContact O-CB 3.17Å; I110-I145 HydrophobicContact CG2-CG2 3.82Å |
| 146 | L | 95.4 | Very high | 83.6 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.6 | 173 | 171.2 | 65.6 | 0 | 0 | 0 | 109.5 | V55 I107 S108 Y109 Q148 | V55-L146 HydrophobicContact CG1-CD1 3.78Å; V55-L146 HydrophobicContact CG1-CD2 4.36Å; I107-L146 WeakPolarHBondContact CA-O 3.33Å; S108-L146 PolarHBondContact N-O 3.47Å; S108-L146 PolarHBondContact O-N 2.86Å; Y109-L146 HydrophobicContact CD2-CB 4.04Å; Y109-L146 HydrophobicContact CE2-CB 3.66Å; L146-Q148 HydrophobicContact CD1-CG 4.34Å; L146-Q148 HydrophobicContact CG-CG 4.25Å |
| 147 | F | 97.6 | Very high | 85 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.5 | 176.3 | -174.5 | -94.9 | 0 | 0 | 0 | 111 | I20 I23 G57 V58 I60 P71 A105 I107 L149 P158 L162 | I20-F147 HydrophobicContact CD1-CE1 3.81Å; I20-F147 HydrophobicContact CD1-CZ 3.68Å; I23-F147 HydrophobicContact CD1-CD2 3.4Å; I23-F147 HydrophobicContact CD1-CE2 3.39Å; I23-F147 HydrophobicContact CD1-CG 4.09Å; I23-F147 HydrophobicContact CD1-CZ 4.05Å; G57-F147 CarbonylContact C-O 3.34Å; G57-F147 VanDerWaalsContact CA-O 3.27Å; G57-F147 WeakPolarHBondContact CA-O 2.96Å; V58-F147 HydrophobicContact CG2-CB 4.08Å; V58-F147 HydrophobicContact CG2-CD1 4.3Å; V58-F147 PolarHBondContact N-O 3.29Å; V58-F147 PolarHBondContact O-N 3.24Å; I60-F147 HydrophobicContact CD1-CB 3.62Å; I60-F147 HydrophobicContact CD1-CD2 4.37Å; I60-F147 HydrophobicContact CD1-CG 3.94Å; I60-F147 HydrophobicContact CG1-CB 4.12Å; P71-F147 HydrophobicContact CB-CE2 4.16Å; P71-F147 HydrophobicContact CB-CZ 4.36Å; P71-F147 HydrophobicContact CG-CE2 4.15Å; A105-F147 HydrophobicContact CB-CE2 3.81Å; A105-F147 HydrophobicContact CB-CZ 3.91Å; I107-F147 HydrophobicContact CD1-CD2 4.33Å; I107-F147 HydrophobicContact CD1-CE2 4.27Å; I107-F147 HydrophobicContact CG1-CD2 3.86Å; I107-F147 HydrophobicContact CG1-CE2 4.06Å; F147-L149 HydrophobicContact CE1-CB 3.96Å; F147-L149 HydrophobicContact CZ-CD1 4.38Å; F147-P158 HydrophobicContact CD1-CB 3.86Å; F147-P158 HydrophobicContact CD1-CG 3.98Å; F147-P158 HydrophobicContact CE1-CB 3.7Å; F147-P158 HydrophobicContact CE1-CG 4.33Å; F147-L162 HydrophobicContact CD1-CD1 4.01Å; F147-L162 HydrophobicContact CD1-CD2 4.37Å; F147-L162 HydrophobicContact CE1-CD1 4.4Å; F147-L162 HydrophobicContact CE1-CD2 4.25Å; F147-L162 HydrophobicContact CE1-CG 4.45Å |
| 148 | Q | 97.2 | Very high | 86.9 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.2 | 173.2 | -51 | -177 | -92.4 | 0 | 0 | 109.9 | K56 A105 V106 L146 Y150 L155 | K56-Q148 PolarHBondContact O-NE2 3.35Å; A105-Q148 CarbonylContact C-O 3.59Å; A105-Q148 WeakPolarHBondContact CA-O 3.01Å; V106-Q148 HydrophobicContact CB-CB 4.25Å; V106-Q148 PolarHBondContact N-O 3.39Å; V106-Q148 PolarHBondContact O-N 3.21Å; L146-Q148 HydrophobicContact CD1-CG 4.34Å; L146-Q148 HydrophobicContact CG-CG 4.25Å; Q148-Y150 HydrophobicContact CB-CE2 4.15Å; Q148-L155 HydrophobicContact CB-CD2 4Å |
| 149 | L | 95.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127.2 | 176.8 | -170.2 | 63.6 | 0 | 0 | 0 | 109.7 | I20 F72 Y103 A105 F147 I156 P158 H161 | I20-L149 HydrophobicContact CD1-CD2 4.14Å; F72-L149 HydrophobicContact CE1-CD1 3.93Å; F72-L149 HydrophobicContact CZ-CD1 4.47Å; Y103-L149 HydrophobicContact CD1-CD1 3.94Å; Y103-L149 HydrophobicContact CD1-CD2 4.12Å; Y103-L149 HydrophobicContact CD1-CG 4.06Å; Y103-L149 HydrophobicContact CE1-CD2 4.26Å; A105-L149 HydrophobicContact CB-CD1 4.48Å; F147-L149 HydrophobicContact CE1-CB 3.96Å; F147-L149 HydrophobicContact CZ-CD1 4.38Å; L149-I156 HydrophobicContact CB-CG1 4.14Å; L149-I156 HydrophobicContact CD2-CD1 3.74Å; L149-I156 HydrophobicContact CD2-CG1 4.08Å; L149-I156 HydrophobicContact CG-CD1 4.02Å; L149-I156 HydrophobicContact CG-CG1 4Å; L149-I156 WeakPolarHBondContact O-CG1 3.02Å; L149-I156 PolarHBondContact O-N 3.13Å; L149-P158 HydrophobicContact CB-CB 3.78Å; L149-P158 HydrophobicContact CD2-CB 4.12Å; L149-H161 HydrophobicContact CD2-CB 4Å |
| 150 | Y | 93.5 | Very high | 90 | Very high | 65 Ų | 65 | 46.8 Ų | 46.8 | 26% | 0.255 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147.2 | 171.8 | -63 | -108.6 | 0 | 0 | 0 | 108.7 | Y103 T104 V106 Q148 K154 L155 | Y103-Y150 CarbonylContact C-O 3.5Å; Y103-Y150 VanDerWaalsContact CA-O 3.23Å; Y103-Y150 WeakPolarHBondContact CA-O 3.37Å; T104-Y150 PolarHBondContact N-O 3.45Å; T104-Y150 PolarHBondContact O-N 3.42Å; V106-Y150 HydrophobicContact CB-CE2 4.44Å; V106-Y150 HydrophobicContact CG2-CD2 4.18Å; V106-Y150 HydrophobicContact CG2-CE2 3.72Å; Q148-Y150 HydrophobicContact CB-CE2 4.15Å; Y150-K154 CarbonylContact C-O 3.57Å; Y150-K154 VanDerWaalsContact CA-O 3.23Å; Y150-K154 WeakPolarHBondContact CA-O 3.31Å; Y150-L155 HydrophobicContact CD1-CD2 3.96Å; Y150-L155 HydrophobicContact CD1-CG 3.85Å; Y150-L155 HydrophobicContact CD2-CD2 3.79Å; Y150-L155 HydrophobicContact CE1-CD1 4.08Å; Y150-L155 HydrophobicContact CE1-CD2 3.64Å; Y150-L155 HydrophobicContact CE1-CG 3.46Å; Y150-L155 VanDerWaalsContact CE1-CG 3.46Å; Y150-L155 HydrophobicContact CE2-CD2 3.42Å; Y150-L155 VanDerWaalsContact CE2-CD2 3.42Å; Y150-L155 HydrophobicContact CE2-CG 4.22Å; Y150-L155 HydrophobicContact CG-CD2 4.02Å; Y150-L155 HydrophobicContact CG-CG 4.39Å |
| 151 | R | 88 | Confident | 91.2 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 9% | 0.087 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 123.1 | 166.5 | -177.5 | 178.6 | 171.1 | -168.7 | -3.3 | 109.2 | G102 Y103 G153 K154 I156 L316 G317 N318 | G102-R151 CarbonylContact O-C 3.54Å; G102-R151 WeakPolarHBondContact O-CA 3.05Å; Y103-R151 HydrophobicContact CD1-CB 4.28Å; Y103-R151 HydrophobicContact CE1-CB 4.23Å; Y103-R151 HydrophobicContact CE1-CG 4.3Å; R151-G153 PolarHBondContact O-N 3.16Å; R151-G153 VanDerWaalsContact O-N 3.14Å; R151-K154 PolarHBondContact N-O 2.57Å; R151-K154 PolarHBondContact O-N 3.15Å; R151-I156 HydrophobicContact CB-CD1 3.97Å; R151-I156 HydrophobicContact CB-CG1 4.46Å; R151-I156 HydrophobicContact CB-CG2 4.07Å; R151-L316 PolarHBondContact NH1-O 2.77Å; R151-L316 PolarHBondContact NH2-O 3.21Å; R151-G317 PolarHBondContact NH1-O 3.06Å; R151-N318 VanDerWaalsContact NH1-CA 3.34Å; R151-N318 VanDerWaalsContact NH1-CG 3.25Å; R151-N318 PolarHBondContact NH1-OD1 3.06Å |
| 152 | E | 86.3 | Confident | 92.1 | Very high | 126 Ų | 126 | 39.8 Ų | 39.8 | 59% | 0.589 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 40.1 | -176.5 | -59.6 | -176 | 149.5 | 0 | 0 | 112 | G102 K154 | G102-E152 PolarHBondContact O-N 3.37Å; E152-K154 VanDerWaalsContact C-N 3.3Å; E152-K154 PolarHBondContact O-N 3.47Å |
| 153 | G | 90.6 | Very high | 92 | Very high | 63 Ų | 63 | 40 Ų | 40 | 65% | 0.649 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -3.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R151 | R151-G153 PolarHBondContact O-N 3.16Å; R151-G153 VanDerWaalsContact O-N 3.14Å |
| 154 | K | 91.5 | Very high | 91.5 | Very high | 160 Ų | 160 | 46 Ų | 46 | 70% | 0.696 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.4 | 177 | -63.8 | -179.4 | -178.7 | 176.3 | 0 | 111.2 | Y150 R151 E152 | Y150-K154 CarbonylContact C-O 3.57Å; Y150-K154 VanDerWaalsContact CA-O 3.23Å; Y150-K154 WeakPolarHBondContact CA-O 3.31Å; R151-K154 PolarHBondContact N-O 2.57Å; R151-K154 PolarHBondContact O-N 3.15Å; E152-K154 VanDerWaalsContact C-N 3.3Å; E152-K154 PolarHBondContact O-N 3.47Å |
| 155 | L | 93 | Very high | 91.1 | Very high | 50 Ų | 50 | 46 Ų | 46 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 132.8 | 172.3 | -78.6 | 162.4 | 0 | 0 | 0 | 110.6 | K56 Q148 Y150 | K56-L155 HydrophobicContact CB-CB 4.27Å; K56-L155 HydrophobicContact CB-CD1 3.73Å; K56-L155 HydrophobicContact CB-CG 4.43Å; K56-L155 HydrophobicContact CD-CB 4.29Å; K56-L155 HydrophobicContact CD-CD1 4.02Å; Q148-L155 HydrophobicContact CB-CD2 4Å; Y150-L155 HydrophobicContact CD1-CD2 3.96Å; Y150-L155 HydrophobicContact CD1-CG 3.85Å; Y150-L155 HydrophobicContact CD2-CD2 3.79Å; Y150-L155 HydrophobicContact CE1-CD1 4.08Å; Y150-L155 HydrophobicContact CE1-CD2 3.64Å; Y150-L155 HydrophobicContact CE1-CG 3.46Å; Y150-L155 VanDerWaalsContact CE1-CG 3.46Å; Y150-L155 HydrophobicContact CE2-CD2 3.42Å; Y150-L155 VanDerWaalsContact CE2-CD2 3.42Å; Y150-L155 HydrophobicContact CE2-CG 4.22Å; Y150-L155 HydrophobicContact CG-CD2 4.02Å; Y150-L155 HydrophobicContact CG-CG 4.39Å |
| 156 | I | 91.3 | Very high | 90.7 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 162.5 | 175.4 | 61.2 | 169 | 0 | 0 | 0 | 110 | Y45 Y103 L149 R151 P158 | Y45-I156 WeakPolarHBondContact CE2-O 3.25Å; Y103-I156 HydrophobicContact CD1-CD1 4.45Å; Y103-I156 HydrophobicContact CE1-CD1 3.92Å; L149-I156 HydrophobicContact CB-CG1 4.14Å; L149-I156 HydrophobicContact CD2-CD1 3.74Å; L149-I156 HydrophobicContact CD2-CG1 4.08Å; L149-I156 HydrophobicContact CG-CD1 4.02Å; L149-I156 HydrophobicContact CG-CG1 4Å; L149-I156 WeakPolarHBondContact O-CG1 3.02Å; L149-I156 PolarHBondContact O-N 3.13Å; R151-I156 HydrophobicContact CB-CD1 3.97Å; R151-I156 HydrophobicContact CB-CG1 4.46Å; R151-I156 HydrophobicContact CB-CG2 4.07Å; I156-P158 VanDerWaalsContact O-CD 3.28Å; I156-P158 WeakPolarHBondContact O-CD 3.48Å |
| 157 | D | 92.5 | Very high | 90.4 | Very high | 60 Ų | 60 | 46.4 Ų | 46.4 | 32% | 0.321 | 23% | 0.233 | S | C | . | . | trans | -74.1 | 113.1 | 171.5 | -172.4 | -17.9 | 0 | 0 | 0 | 109.2 | Y45 T159 | Y45-D157 WeakPolarHBondContact CB-OD1 3.38Å; Y45-D157 HydrophobicContact CD1-CB 3.57Å; Y45-D157 WeakPolarHBondContact CD1-OD2 3.28Å; Y45-D157 HydrophobicContact CD2-CB 4.22Å; Y45-D157 HydrophobicContact CE1-CB 3.74Å; Y45-D157 HydrophobicContact CE2-CB 4.36Å; Y45-D157 HydrophobicContact CG-CB 3.84Å; D157-T159 PolarHBondContact O-N 2.91Å; D157-T159 WeakPolarHBondContact OD1-CB 3.45Å; D157-T159 PolarHBondContact OD1-N 3.5Å; D157-T159 PolarHBondContact OD1-OG1 2.99Å | ||
| 158 | P | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -80.7 | -2.6 | -177.9 | 34.6 | -35.9 | 0 | 0 | 0 | 113.4 | V58 F147 L149 I156 Y160 H161 L162 | V58-P158 HydrophobicContact CB-CG 4.36Å; V58-P158 HydrophobicContact CG1-CG 3.77Å; V58-P158 HydrophobicContact CG2-CG 3.69Å; F147-P158 HydrophobicContact CD1-CB 3.86Å; F147-P158 HydrophobicContact CD1-CG 3.98Å; F147-P158 HydrophobicContact CE1-CB 3.7Å; F147-P158 HydrophobicContact CE1-CG 4.33Å; L149-P158 HydrophobicContact CB-CB 3.78Å; L149-P158 HydrophobicContact CD2-CB 4.12Å; I156-P158 VanDerWaalsContact O-CD 3.28Å; I156-P158 WeakPolarHBondContact O-CD 3.48Å; P158-Y160 VanDerWaalsContact C-N 3.3Å; P158-Y160 PolarHBondContact O-N 2.79Å; P158-H161 PolarHBondContact O-N 3.18Å; P158-L162 HydrophobicContact CB-CD1 4.02Å; P158-L162 HydrophobicContact CB-CG 4.38Å; P158-L162 HydrophobicContact CG-CD1 4.19Å; P158-L162 WeakPolarHBondContact O-CG 3.38Å; P158-L162 PolarHBondContact O-N 2.96Å | ||
| 159 | T | 92.2 | Very high | 89.3 | Confident | 31 Ų | 31 | 45.6 Ų | 45.6 | 19% | 0.19 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.3 | -46.8 | -169.4 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | L32 D157 L162 K163 | L32-T159 HydrophobicContact CD1-CG2 4.4Å; D157-T159 PolarHBondContact O-N 2.91Å; D157-T159 WeakPolarHBondContact OD1-CB 3.45Å; D157-T159 PolarHBondContact OD1-N 3.5Å; D157-T159 PolarHBondContact OD1-OG1 2.99Å; T159-L162 PolarHBondContact O-N 3.1Å; T159-K163 WeakPolarHBondContact O-CB 3.29Å; T159-K163 PolarHBondContact O-N 3.39Å |
| 160 | Y | 89.2 | Confident | 88.9 | Confident | 65 Ų | 65 | 46.2 Ų | 46.2 | 26% | 0.255 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -81.5 | -17.4 | 179.7 | -67.1 | -77.9 | 0 | 0 | 0 | 114.1 | P158 L162 K163 C165 D319 K321 | P158-Y160 VanDerWaalsContact C-N 3.3Å; P158-Y160 PolarHBondContact O-N 2.79Å; Y160-L162 VanDerWaalsContact C-N 3.34Å; Y160-K163 CarbonylContact C-O 3.55Å; Y160-K163 VanDerWaalsContact CA-O 3.24Å; Y160-K163 WeakPolarHBondContact CA-O 3.24Å; Y160-C165 WeakPolarHBondContact O-CA 3.06Å; Y160-C165 WeakPolarHBondContact O-CB 3.19Å; Y160-C165 PolarHBondContact O-N 3.24Å; Y160-D319 WeakPolarHBondContact CD2-OD1 3.48Å; Y160-K321 HydrophobicContact CD1-CB 3.73Å; Y160-K321 HydrophobicContact CD1-CG 3.9Å; Y160-K321 HydrophobicContact CD2-CB 3.78Å; Y160-K321 HydrophobicContact CD2-CG 4.36Å; Y160-K321 HydrophobicContact CE1-CB 3.9Å; Y160-K321 HydrophobicContact CE1-CD 3.88Å; Y160-K321 HydrophobicContact CE1-CG 3.56Å; Y160-K321 HydrophobicContact CE2-CB 3.97Å; Y160-K321 HydrophobicContact CE2-CD 3.83Å; Y160-K321 HydrophobicContact CE2-CG 4.08Å; Y160-K321 HydrophobicContact CG-CB 3.66Å; Y160-K321 HydrophobicContact CG-CG 4.28Å; Y160-K321 VanDerWaalsContact CZ-CD 3.45Å; Y160-K321 WeakPolarHBondContact OH-CD 2.87Å; Y160-K321 WeakPolarHBondContact OH-CE 3.14Å |
| 161 | H | 90.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.6 | -32.2 | 169 | -64.2 | 73.1 | 0 | 0 | 0 | 111.2 | I20 Y103 L149 P158 G317 C320 | I20-H161 WeakPolarHBondContact CB-O 3.39Å; I20-H161 HydrophobicContact CD1-CB 3.59Å; I20-H161 HydrophobicContact CG1-CB 4.07Å; I20-H161 PolarHBondContact N-O 3.18Å; Y103-H161 AromaticContact CE1-CD2 3.98Å; Y103-H161 AromaticContact CE1-NE2 3.6Å; Y103-H161 AromaticContact CZ-NE2 3.96Å; Y103-H161 PolarHBondContact OH-NE2 2.86Å; L149-H161 HydrophobicContact CD2-CB 4Å; P158-H161 PolarHBondContact O-N 3.18Å; H161-G317 PolarHBondContact NE2-O 3.31Å; H161-C320 PolarHBondContact CD2-SG 2.85Å; H161-C320 PolarHBondContact NE2-SG 3.09Å |
| 162 | L | 90.9 | Very high | 89.1 | Confident | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.058 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -82.5 | -34.7 | 177.6 | -68.8 | 166.6 | 0 | 0 | 0 | 112.9 | I20 I23 N30 L32 V58 I60 F147 P158 T159 Y160 | I20-L162 HydrophobicContact CB-CD2 4.12Å; I20-L162 HydrophobicContact CD1-CD2 3.98Å; I20-L162 HydrophobicContact CD1-CG 4.2Å; I20-L162 HydrophobicContact CG2-CD2 3.67Å; I23-L162 HydrophobicContact CD1-CD2 3.58Å; I23-L162 HydrophobicContact CG1-CD2 4.28Å; N30-L162 HydrophobicContact CB-CB 4.13Å; N30-L162 HydrophobicContact CB-CD2 4.23Å; N30-L162 PolarHBondContact ND2-O 2.85Å; L32-L162 HydrophobicContact CD2-CD1 4.36Å; V58-L162 HydrophobicContact CG2-CD1 3.53Å; I60-L162 HydrophobicContact CD1-CD1 3.94Å; I60-L162 HydrophobicContact CD1-CD2 3.88Å; I60-L162 HydrophobicContact CG1-CD1 4.4Å; F147-L162 HydrophobicContact CD1-CD1 4.01Å; F147-L162 HydrophobicContact CD1-CD2 4.37Å; F147-L162 HydrophobicContact CE1-CD1 4.4Å; F147-L162 HydrophobicContact CE1-CD2 4.25Å; F147-L162 HydrophobicContact CE1-CG 4.45Å; P158-L162 HydrophobicContact CB-CD1 4.02Å; P158-L162 HydrophobicContact CB-CG 4.38Å; P158-L162 HydrophobicContact CG-CD1 4.19Å; P158-L162 WeakPolarHBondContact O-CG 3.38Å; P158-L162 PolarHBondContact O-N 2.96Å; T159-L162 PolarHBondContact O-N 3.1Å; Y160-L162 VanDerWaalsContact C-N 3.34Å |
| 163 | K | 84.5 | Confident | 89.3 | Confident | 63 Ų | 63 | 38 Ų | 38 | 27% | 0.274 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -130.1 | 132.9 | -173.1 | -60.5 | -174.8 | 170.2 | -169.5 | 0 | 110.7 | N30 T159 Y160 C165 | N30-K163 WeakPolarHBondContact O-CE 3.46Å; T159-K163 WeakPolarHBondContact O-CB 3.29Å; T159-K163 PolarHBondContact O-N 3.39Å; Y160-K163 CarbonylContact C-O 3.55Å; Y160-K163 VanDerWaalsContact CA-O 3.24Å; Y160-K163 WeakPolarHBondContact CA-O 3.24Å; K163-C165 PolarHBondContact O-N 2.95Å; K163-C165 VanDerWaalsContact O-N 3.15Å |
| 164 | Q | 79.7 | Confident | 89.3 | Confident | 166 Ų | 166 | 36.7 Ų | 36.7 | 78% | 0.776 | 18% | 0.182 | S | C | * | . | S | Bend | trans | 53.7 | 36.8 | 172.9 | -56.8 | 176.6 | -21.7 | 0 | 0 | 113.6 | M166 | Q164-M166 PolarHBondContact O-N 3.46Š|
| 165 | C | 86.3 | Confident | 89.2 | Confident | 16 Ų | 16 | 29.4 Ų | 29.4 | 11% | 0.108 | 15% | 0.15 | C | C | . | . | trans | -67.6 | 130.2 | -175.5 | 165.6 | 0 | 0 | 0 | 0 | 112.7 | C19 Y160 K163 C320 | C19-C165 WeakPolarHBondContact CA-SG 3.36Å; C19-C165 HydrophobicContact CB-CB 3.42Å; C19-C165 VanDerWaalsContact CB-CB 3.42Å; C19-C165 WeakPolarHBondContact CB-SG 3.21Å; C19-C165 WeakPolarHBondContact SG-CB 3.24Å; C19-C165 PolarHBondContact SG-O 3.3Å; C19-C165 VanDerWaalsContact SG-O 3.39Å; C19-C165 CovalentContact SG-SG 2.03Å; C19-C165 PolarHBondContact SG-SG 3.34Å; Y160-C165 WeakPolarHBondContact O-CA 3.06Å; Y160-C165 WeakPolarHBondContact O-CB 3.19Å; Y160-C165 PolarHBondContact O-N 3.24Å; K163-C165 PolarHBondContact O-N 2.95Å; K163-C165 VanDerWaalsContact O-N 3.15Å; C165-C320 HydrophobicContact CB-CB 4.28Å | ||
| 166 | M | 87.3 | Confident | 88.6 | Confident | 15 Ų | 15 | 30.9 Ų | 30.9 | 7% | 0.074 | 16% | 0.158 | C | C | . | . | trans | -128.5 | 39.6 | 177.4 | -63.9 | -66.9 | -68.6 | 0 | 0 | 112.1 | Q164 H256 W257 F260 M314 C320 L322 | Q164-M166 PolarHBondContact O-N 3.46Å; M166-H256 WeakPolarHBondContact CE-O 3.23Å; M166-H256 HydrophobicContact SD-CB 4.25Å; M166-W257 HydrophobicContact CB-CH2 4.35Å; M166-W257 HydrophobicContact CE-CD2 3.79Å; M166-W257 HydrophobicContact CE-CE3 3.67Å; M166-W257 HydrophobicContact CE-CG 4.43Å; M166-W257 HydrophobicContact CE-CH2 4.2Å; M166-W257 HydrophobicContact CE-CZ2 4.26Å; M166-W257 HydrophobicContact CE-CZ3 3.89Å; M166-W257 VanDerWaalsContact O-CH2 3.23Å; M166-W257 WeakPolarHBondContact O-CH2 3.45Å; M166-F260 HydrophobicContact CE-CD2 4.25Å; M166-F260 HydrophobicContact CE-CE2 3.56Å; M166-F260 HydrophobicContact CE-CZ 4.06Å; M166-M314 HydrophobicContact CB-CE 3.92Å; M166-M314 HydrophobicContact CB-CG 4.48Å; M166-M314 HydrophobicContact CB-SD 4.33Å; M166-M314 VanDerWaalsContact O-CB 3.3Å; M166-M314 WeakPolarHBondContact O-CB 3.32Å; M166-M314 WeakPolarHBondContact O-CE 3.44Å; M166-M314 WeakPolarHBondContact O-CG 2.98Å; M166-C320 WeakPolarHBondContact CB-O 3.37Å; M166-C320 PolarHBondContact N-O 2.88Å; M166-L322 HydrophobicContact CG-CB 4.21Å | ||
| 167 | C | 88.5 | Confident | 87.9 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | trans | -80.4 | 145.8 | 176.3 | -88.7 | 0 | 0 | 0 | 0 | 112.1 | Q280 M314 G317 C320 | C167-Q280 PolarHBondContact O-NE2 3.29Å; C167-M314 WeakPolarHBondContact CA-O 3.43Å; C167-G317 VanDerWaalsContact SG-CA 3.5Å; C167-C320 HydrophobicContact CB-CB 3.94Å; C167-C320 WeakPolarHBondContact CB-SG 3.39Å; C167-C320 WeakPolarHBondContact SG-CA 3.29Å; C167-C320 WeakPolarHBondContact SG-CB 3.28Å; C167-C320 CovalentContact SG-SG 2.01Å; C167-C320 PolarHBondContact SG-SG 3.09Å | ||
| 168 | T | 86.7 | Confident | 87.7 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | trans | -80.8 | -16.6 | -176.6 | 62 | 0 | 0 | 0 | 0 | 114.8 | P221 W257 Q280 L302 M314 L315 | T168-P221 CarbonylContact C-O 3.21Å; T168-P221 WeakPolarHBondContact CA-O 3.43Å; T168-P221 VanDerWaalsContact CB-O 3.31Å; T168-P221 WeakPolarHBondContact CB-O 3.46Å; T168-P221 HydrophobicContact CG2-CB 4.21Å; T168-P221 CarbonylContact O-C 3.57Å; T168-P221 WeakPolarHBondContact O-CA 3.09Å; T168-W257 HydrophobicContact CG2-CH2 4.2Å; T168-Q280 VanDerWaalsContact C-NE2 3.31Å; T168-Q280 VanDerWaalsContact CA-NE2 3.28Å; T168-Q280 PolarHBondContact O-NE2 2.72Å; T168-L302 HydrophobicContact CG2-CD2 4.43Å; T168-M314 PolarHBondContact N-O 2.01Å; T168-L315 HydrophobicContact CG2-CD1 4.22Å; T168-L315 WeakPolarHBondContact OG1-CA 3.09Å | ||
| 169 | G | 84.2 | Confident | 87.4 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | trans | 69.2 | -175.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113 | N178 | G169-N178 PolarHBondContact O-ND2 2.03Š| ||
| 170 | Q | 87.1 | Confident | 87.3 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | trans | -66.1 | 132.8 | 175.7 | -180 | -177.2 | 13.1 | 0 | 0 | 110.3 | Q99 C172 E173 Y219 | Q99-Q170 HydrophobicContact CG-CB 4.29Å; Q170-C172 WeakPolarHBondContact CG-O 3.47Å; Q170-C172 PolarHBondContact NE2-O 2.99Å; Q170-E173 VanDerWaalsContact NE2-C 3.32Å; Q170-E173 PolarHBondContact NE2-O 2.79Å; Q170-Y219 HydrophobicContact CB-CD2 4.43Å; Q170-Y219 HydrophobicContact CG-CD2 4.1Å; Q170-Y219 HydrophobicContact CG-CE2 4.19Å; Q170-Y219 VanDerWaalsContact O-CB 3.3Å; Q170-Y219 WeakPolarHBondContact O-CB 3.04Å; Q170-Y219 WeakPolarHBondContact O-CD2 3.26Å | ||
| 171 | I | 92.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -100.5 | -38.5 | 179.6 | -58.2 | 179.9 | 0 | 0 | 0 | 112.1 | N178 I197 I218 Y219 P221 I298 V300 L315 | I171-N178 PolarHBondContact N-OD1 3.31Å; I171-I197 HydrophobicContact CD1-CD1 3.98Å; I171-I218 HydrophobicContact CG2-CG2 4.45Å; I171-I218 CarbonylContact O-C 3.38Å; I171-I218 WeakPolarHBondContact O-CA 2.89Å; I171-Y219 PolarHBondContact O-N 2.84Å; I171-P221 HydrophobicContact CD1-CB 3.9Å; I171-P221 HydrophobicContact CG1-CB 4.06Å; I171-I298 HydrophobicContact CG2-CD1 3.76Å; I171-V300 HydrophobicContact CD1-CG1 4.03Å; I171-V300 HydrophobicContact CD1-CG2 4.04Å; I171-V300 HydrophobicContact CG2-CG2 4.12Å; I171-L315 HydrophobicContact CD1-CD1 3.44Å; I171-L315 VanDerWaalsContact CD1-CD1 3.44Å; I171-L315 HydrophobicContact CD1-CG 4.39Å | ||
| 172 | C | 93.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -116.6 | 131.3 | 178.8 | 173.4 | 0 | 0 | 0 | 0 | 111 | Q170 S174 N175 C199 I218 I298 | Q170-C172 WeakPolarHBondContact CG-O 3.47Å; Q170-C172 PolarHBondContact NE2-O 2.99Å; C172-S174 VanDerWaalsContact C-N 3.27Å; C172-S174 PolarHBondContact O-N 3.49Å; C172-S174 PolarHBondContact SG-OG 2.84Å; C172-N175 HydrophobicContact CB-CB 4.3Å; C172-N175 CarbonylContact O-C 3.59Å; C172-N175 PolarHBondContact O-N 2.77Å; C172-C199 HydrophobicContact CB-CB 3.78Å; C172-C199 WeakPolarHBondContact CB-SG 3.46Å; C172-C199 WeakPolarHBondContact SG-CA 3.49Å; C172-C199 WeakPolarHBondContact SG-CB 3.31Å; C172-C199 CovalentContact SG-SG 2.02Å; C172-C199 PolarHBondContact SG-SG 3.22Å; C172-I218 HydrophobicContact CB-CD1 4.38Å; C172-I298 HydrophobicContact CB-CD1 4.14Å |
| 173 | E | 90.9 | Very high | 86.3 | Confident | 42 Ų | 42 | 37.8 Ų | 37.8 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -39.8 | -179 | -177.9 | 178.6 | -162.8 | 0 | 0 | 114.4 | Q170 N175 R214 P216 N217 Y219 | Q170-E173 VanDerWaalsContact NE2-C 3.32Å; Q170-E173 PolarHBondContact NE2-O 2.79Å; E173-N175 VanDerWaalsContact C-N 3.31Å; E173-R214 VanDerWaalsContact CD-NH2 3.34Å; E173-R214 IonicContact OE1-CZ 2.72Å; E173-R214 IonicContact OE1-NH1 2.62Å; E173-R214 IonicContact OE1-NH2 3.62Å; E173-R214 PolarHBondContact OE1-NH2 3.33Å; E173-R214 IonicContact OE2-CZ 3.59Å; E173-R214 IonicContact OE2-NH1 2.76Å; E173-R214 PolarHBondContact OE2-NH1 3.26Å; E173-R214 IonicContact OE2-NH2 3.58Å; E173-R214 PolarHBondContact OE2-NH2 3.38Å; E173-P216 HydrophobicContact CB-CB 4.03Å; E173-N217 HydrophobicContact CB-CB 4.21Å; E173-N217 WeakPolarHBondContact CB-O 3.2Å; E173-N217 PolarHBondContact N-O 2.93Å; E173-N217 PolarHBondContact OE2-N 3.22Å; E173-N217 PolarHBondContact OE2-ND2 2.99Å; E173-N217 VanDerWaalsContact OE2-ND2 3.17Å; E173-Y219 HydrophobicContact CB-CE2 4.1Å |
| 174 | S | 90.8 | Very high | 86.2 | Confident | 36 Ų | 36 | 38.6 Ų | 38.6 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -1.9 | 179.2 | 53 | 0 | 0 | 0 | 0 | 114.1 | C172 C199 P200 | C172-S174 VanDerWaalsContact C-N 3.27Å; C172-S174 PolarHBondContact O-N 3.49Å; C172-S174 PolarHBondContact SG-OG 2.84Å; S174-C199 VanDerWaalsContact OG-C 3.27Å; S174-P200 WeakPolarHBondContact CB-O 3.2Å; S174-P200 VanDerWaalsContact OG-CD 3.25Å; S174-P200 WeakPolarHBondContact OG-CD 3.34Å; S174-P200 PolarHBondContact OG-O 3.06Å |
| 175 | N | 88.9 | Confident | 86.6 | Confident | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -132.2 | 82 | 179.1 | -171.8 | -0.8 | 0 | 0 | 0 | 112 | C172 E173 G177 N178 K179 I197 H198 | C172-N175 HydrophobicContact CB-CB 4.3Å; C172-N175 CarbonylContact O-C 3.59Å; C172-N175 PolarHBondContact O-N 2.77Å; E173-N175 VanDerWaalsContact C-N 3.31Å; N175-G177 VanDerWaalsContact C-N 3.32Å; N175-G177 PolarHBondContact O-N 2.86Å; N175-N178 PolarHBondContact O-N 2.86Å; N175-N178 PolarHBondContact OD1-N 3.4Å; N175-K179 VanDerWaalsContact CG-N 3.31Å; N175-K179 PolarHBondContact ND2-N 2.91Å; N175-K179 PolarHBondContact ND2-O 3.28Å; N175-K179 WeakPolarHBondContact OD1-CB 3.15Å; N175-K179 PolarHBondContact OD1-N 3.14Å; N175-I197 HydrophobicContact CB-CG2 4.42Å; N175-I197 WeakPolarHBondContact ND2-CG2 3.35Å; N175-H198 WeakPolarHBondContact CB-O 3.16Å; N175-H198 VanDerWaalsContact CG-O 3.29Å; N175-H198 PolarHBondContact ND2-N 3.28Å; N175-H198 PolarHBondContact ND2-O 2.88Å |
| 176 | I | 79.7 | Confident | 86.7 | Confident | 81 Ų | 81 | 33.4 Ų | 33.4 | 42% | 0.415 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -41.9 | -176.3 | -68.1 | 157.9 | 0 | 0 | 0 | 113.4 | L101 | L101-I176 HydrophobicContact CB-CG2 3.28Å; L101-I176 HydrophobicContact CD1-CD1 3.66Å; L101-I176 HydrophobicContact CD1-CG1 3.84Å; L101-I176 HydrophobicContact CD1-CG2 4Å; L101-I176 HydrophobicContact CG-CG2 4.28Å |
| 177 | G | 78 | Confident | 86.6 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 9.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | N175 K179 | N175-G177 VanDerWaalsContact C-N 3.32Å; N175-G177 PolarHBondContact O-N 2.86Å; G177-K179 PolarHBondContact O-N 2.76Å |
| 178 | N | 87.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | trans | 49.4 | 40.4 | -168.8 | -62.4 | -35.3 | 0 | 0 | 0 | 112.1 | G169 I171 N175 M180 I197 L315 | G169-N178 PolarHBondContact O-ND2 2.03Å; I171-N178 PolarHBondContact N-OD1 3.31Å; N175-N178 PolarHBondContact O-N 2.86Å; N175-N178 PolarHBondContact OD1-N 3.4Å; N178-M180 PolarHBondContact O-N 3.35Å; N178-I197 HydrophobicContact CB-CD1 4.28Å; N178-L315 HydrophobicContact CB-CG 4.46Å; N178-L315 PolarHBondContact ND2-O 2.7Å | ||
| 179 | K | 86.7 | Confident | 85.6 | Confident | 132 Ų | 132 | 50.9 Ų | 50.9 | 57% | 0.574 | 28% | 0.275 | S | S | * | . | trans | -55 | 126.7 | -179.7 | -65.6 | -176 | -179.8 | -178.4 | 0 | 110.5 | N175 G177 H198 | N175-K179 VanDerWaalsContact CG-N 3.31Å; N175-K179 PolarHBondContact ND2-N 2.91Å; N175-K179 PolarHBondContact ND2-O 3.28Å; N175-K179 WeakPolarHBondContact OD1-CB 3.15Å; N175-K179 PolarHBondContact OD1-N 3.14Å; G177-K179 PolarHBondContact O-N 2.76Å; K179-H198 PolarHBondContact O-N 2.97Å; K179-H198 VanDerWaalsContact O-N 3.15Å | ||
| 180 | M | 89.2 | Confident | 85 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 21% | 0.207 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -70.4 | 141.6 | 179.9 | -55.6 | -64.7 | 173.6 | 0 | 0 | 110.1 | N178 V184 W195 E196 T312 L315 L316 | N178-M180 PolarHBondContact O-N 3.35Å; M180-V184 HydrophobicContact CE-CG1 4.48Å; M180-V184 HydrophobicContact CG-CG2 4.21Å; M180-W195 HydrophobicContact CE-CB 4.26Å; M180-W195 HydrophobicContact CE-CG 3.97Å; M180-W195 HydrophobicContact SD-CB 3.85Å; M180-W195 HydrophobicContact SD-CG 4.1Å; M180-E196 WeakPolarHBondContact CA-O 3.44Å; M180-T312 HydrophobicContact CE-CG2 4.5Å; M180-L315 HydrophobicContact CE-CD2 3.51Å; M180-L315 HydrophobicContact SD-CD2 4.44Å; M180-L316 HydrophobicContact CE-CD1 4.43Å; M180-L316 HydrophobicContact CE-CD2 3.64Å; M180-L316 HydrophobicContact CE-CG 3.97Å |
| 181 | S | 85.1 | Confident | 84.3 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -90.2 | -8.1 | 175.4 | -170.9 | 0 | 0 | 0 | 0 | 113.6 | E196 K297 | S181-E196 PolarHBondContact N-O 2.65Å; S181-K297 VanDerWaalsContact OG-CD 3.31Å; S181-K297 WeakPolarHBondContact OG-CD 3.43Å; S181-K297 WeakPolarHBondContact OG-CE 3.26Å; S181-K297 PolarHBondContact OG-NZ 2.87Å |
| 182 | G | 81.2 | Confident | 83.8 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 45% | 0.454 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -163.4 | -144 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V184 | G182-V184 PolarHBondContact O-N 3.32Š|
| 183 | A | 82.8 | Confident | 83.7 | Confident | 59 Ų | 59 | 61.5 Ų | 61.5 | 49% | 0.488 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -58.3 | 137.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y185 E186 | A183-Y185 PolarHBondContact O-N 3.31Å; A183-E186 HydrophobicContact CB-CB 4.31Å |
| 184 | V | 84.5 | Confident | 83.8 | Confident | 80 Ų | 80 | 59.5 Ų | 59.5 | 49% | 0.485 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -75 | 121.9 | 176.3 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | M180 G182 T312 | M180-V184 HydrophobicContact CE-CG1 4.48Å; M180-V184 HydrophobicContact CG-CG2 4.21Å; G182-V184 PolarHBondContact O-N 3.32Å; V184-T312 HydrophobicContact CG1-CG2 3.53Å; V184-T312 WeakPolarHBondContact CG1-OG1 3.42Å |
| 185 | Y | 87.3 | Confident | 83.9 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 58.1 | 80.3 | 177.9 | -169 | -121.2 | 0 | 0 | 0 | 114.2 | A183 K193 G194 W195 F308 M309 N310 | A183-Y185 PolarHBondContact O-N 3.31Å; Y185-K193 HydrophobicContact CD1-CD 4.46Å; Y185-K193 HydrophobicContact CD2-CG 4.35Å; Y185-K193 HydrophobicContact CE1-CD 3.69Å; Y185-K193 HydrophobicContact CE1-CG 4.03Å; Y185-K193 HydrophobicContact CE2-CB 4.37Å; Y185-K193 HydrophobicContact CE2-CD 4.25Å; Y185-K193 HydrophobicContact CE2-CG 3.77Å; Y185-K193 WeakPolarHBondContact OH-CD 3.39Å; Y185-G194 CarbonylContact C-O 3.56Å; Y185-G194 VanDerWaalsContact CA-O 3.22Å; Y185-G194 WeakPolarHBondContact CA-O 3.32Å; Y185-W195 HydrophobicContact CD2-CD2 4.25Å; Y185-W195 AromaticContact CD2-CE2 3.66Å; Y185-W195 AromaticContact CD2-CH2 3.84Å; Y185-W195 HydrophobicContact CD2-CH2 3.84Å; Y185-W195 AromaticContact CD2-CZ2 3.43Å; Y185-W195 HydrophobicContact CD2-CZ2 3.43Å; Y185-W195 VanDerWaalsContact CD2-CZ2 3.43Å; Y185-W195 HydrophobicContact CD2-CZ3 4.42Å; Y185-W195 AromaticContact CE2-CH2 3.93Å; Y185-W195 HydrophobicContact CE2-CH2 3.93Å; Y185-W195 AromaticContact CE2-CZ2 3.96Å; Y185-W195 HydrophobicContact CE2-CZ2 3.96Å; Y185-W195 HydrophobicContact CG-CZ2 4.13Å; Y185-F308 VanDerWaalsContact OH-C 3.29Å; Y185-M309 WeakPolarHBondContact CE2-O 3.41Å; Y185-M309 WeakPolarHBondContact OH-CA 3.3Å; Y185-M309 PolarHBondContact OH-N 2.88Å; Y185-M309 VanDerWaalsContact OH-N 3.15Å; Y185-M309 PolarHBondContact OH-O 3.33Å; Y185-N310 HydrophobicContact CD1-CB 3.58Å; Y185-N310 HydrophobicContact CE1-CB 3.58Å; Y185-N310 HydrophobicContact CG-CB 4.11Å |
| 186 | E | 87.4 | Confident | 84.1 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 21% | 0.21 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 157.1 | -174.7 | 65.7 | -175.4 | 167.5 | 0 | 0 | 112.6 | A183 K188 K193 G194 F299 | A183-E186 HydrophobicContact CB-CB 4.31Å; E186-K188 VanDerWaalsContact CD-CE 3.45Å; E186-K188 HydrophobicContact CG-CG 3.97Å; E186-K188 WeakPolarHBondContact OE1-CE 3.31Å; E186-K188 IonicContact OE1-NZ 2.73Å; E186-K193 VanDerWaalsContact O-CA 3.31Å; E186-K193 WeakPolarHBondContact O-CA 3.21Å; E186-G194 PolarHBondContact N-O 3.03Å; E186-G194 PolarHBondContact O-N 2.99Å; E186-F299 HydrophobicContact CG-CE2 4.36Å |
| 187 | N | 86.7 | Confident | 84.8 | Confident | 126 Ų | 126 | 54.8 Ų | 54.8 | 67% | 0.674 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 114.2 | 168.2 | -173.3 | 5.6 | 0 | 0 | 0 | 108.7 | G192 | N187-G192 CarbonylContact C-O 3.46Å; N187-G192 WeakPolarHBondContact CA-O 3.47Å; N187-G192 PolarHBondContact OD1-O 2.82Å |
| 188 | K | 81.4 | Confident | 85.5 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 22% | 0.222 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.6 | 174.2 | -75.5 | -125.2 | 178.6 | -174.9 | 0 | 110.8 | E186 H190 F191 G192 E196 F299 | E186-K188 VanDerWaalsContact CD-CE 3.45Å; E186-K188 HydrophobicContact CG-CG 3.97Å; E186-K188 WeakPolarHBondContact OE1-CE 3.31Å; E186-K188 IonicContact OE1-NZ 2.73Å; K188-H190 PolarHBondContact O-N 2.69Å; K188-F191 HydrophobicContact CB-CB 4.13Å; K188-F191 HydrophobicContact CB-CD2 3.78Å; K188-F191 HydrophobicContact CB-CG 4.44Å; K188-F191 HydrophobicContact CD-CD2 4.24Å; K188-F191 PolarHBondContact O-N 3.03Å; K188-G192 PolarHBondContact N-O 2.76Å; K188-G192 PolarHBondContact O-N 3.41Å; K188-E196 IonicContact NZ-OE1 3.66Å; K188-E196 PolarHBondContact NZ-OE1 3.14Å; K188-E196 IonicContact NZ-OE2 2.82Å; K188-E196 PolarHBondContact NZ-OE2 2.79Å; K188-F299 HydrophobicContact CB-CE2 4.11Å; K188-F299 HydrophobicContact CB-CZ 4.19Å; K188-F299 HydrophobicContact CD-CD2 4.49Å; K188-F299 HydrophobicContact CD-CE2 4.5Å; K188-F299 HydrophobicContact CG-CD2 4.17Å; K188-F299 HydrophobicContact CG-CE2 3.72Å; K188-F299 HydrophobicContact CG-CZ 4.28Å |
| 189 | R | 72.9 | Confident | 85.8 | Confident | 209 Ų | 209 | 57.1 Ų | 57.1 | 79% | 0.789 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 128.3 | 172.9 | -162.8 | -173.2 | 172.6 | 167.2 | -0.5 | 109.5 | F191 | R189-F191 VanDerWaalsContact C-N 3.25Å; R189-F191 PolarHBondContact O-N 2.73Å |
| 190 | H | 70.4 | Confident | 86.1 | Confident | 104 Ų | 104 | 52.4 Ų | 52.4 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | -7.5 | -178.2 | -47.9 | -73.8 | 0 | 0 | 0 | 118.1 | K188 P232 K233 | K188-H190 PolarHBondContact O-N 2.69Å; H190-P232 WeakPolarHBondContact O-CB 3.28Å; H190-K233 HydrophobicContact CB-CD 4.35Å; H190-K233 HydrophobicContact CB-CG 3.76Å |
| 191 | F | 73.1 | Confident | 86.3 | Confident | 48 Ų | 48 | 53.8 Ų | 53.8 | 21% | 0.211 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -49.5 | 173.4 | -58.3 | -51.2 | 0 | 0 | 0 | 110.4 | K188 R189 P232 Y265 F299 | K188-F191 HydrophobicContact CB-CB 4.13Å; K188-F191 HydrophobicContact CB-CD2 3.78Å; K188-F191 HydrophobicContact CB-CG 4.44Å; K188-F191 HydrophobicContact CD-CD2 4.24Å; K188-F191 PolarHBondContact O-N 3.03Å; R189-F191 VanDerWaalsContact C-N 3.25Å; R189-F191 PolarHBondContact O-N 2.73Å; F191-P232 HydrophobicContact CD1-CB 4.35Å; F191-P232 HydrophobicContact CD1-CG 4.44Å; F191-Y265 HydrophobicContact CB-CD1 4.13Å; F191-Y265 HydrophobicContact CB-CE1 3.96Å; F191-Y265 HydrophobicContact CB-CG 4.48Å; F191-Y265 AromaticContact CD1-CD1 3.22Å; F191-Y265 HydrophobicContact CD1-CD1 3.22Å; F191-Y265 AromaticContact CD1-CE1 3.71Å; F191-Y265 HydrophobicContact CD1-CE1 3.71Å; F191-Y265 AromaticContact CD1-CG 3.84Å; F191-Y265 HydrophobicContact CD1-CG 3.84Å; F191-Y265 AromaticContact CE1-CD1 3.89Å; F191-Y265 HydrophobicContact CE1-CD1 3.89Å; F191-Y265 HydrophobicContact CE1-CG 4.39Å; F191-Y265 HydrophobicContact CG-CD1 4Å; F191-Y265 HydrophobicContact CG-CE1 4.29Å; F191-Y265 HydrophobicContact CG-CG 4.36Å; F191-Y265 PolarHBondContact O-OH 3.11Å; F191-F299 HydrophobicContact CB-CD1 3.7Å; F191-F299 HydrophobicContact CB-CE1 3.71Å; F191-F299 HydrophobicContact CB-CG 4.39Å; F191-F299 HydrophobicContact CB-CZ 4.41Å; F191-F299 HydrophobicContact CG-CD1 4.31Å |
| 192 | G | 81.6 | Confident | 86.5 | Confident | 14 Ų | 14 | 53 Ų | 53 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.8 | -149.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | N187 K188 | N187-G192 CarbonylContact C-O 3.46Å; N187-G192 WeakPolarHBondContact CA-O 3.47Å; N187-G192 PolarHBondContact OD1-O 2.82Å; K188-G192 PolarHBondContact N-O 2.76Å; K188-G192 PolarHBondContact O-N 3.41Å |
| 193 | K | 90.5 | Very high | 86.8 | Confident | 84 Ų | 84 | 55.9 Ų | 55.9 | 37% | 0.365 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.1 | -176.4 | -158.2 | 176.7 | -177.1 | -174.2 | 0 | 111.7 | Y185 E186 F308 | Y185-K193 HydrophobicContact CD1-CD 4.46Å; Y185-K193 HydrophobicContact CD2-CG 4.35Å; Y185-K193 HydrophobicContact CE1-CD 3.69Å; Y185-K193 HydrophobicContact CE1-CG 4.03Å; Y185-K193 HydrophobicContact CE2-CB 4.37Å; Y185-K193 HydrophobicContact CE2-CD 4.25Å; Y185-K193 HydrophobicContact CE2-CG 3.77Å; Y185-K193 WeakPolarHBondContact OH-CD 3.39Å; E186-K193 VanDerWaalsContact O-CA 3.31Å; E186-K193 WeakPolarHBondContact O-CA 3.21Å; K193-F308 HydrophobicContact CB-CB 4.23Å; K193-F308 HydrophobicContact CB-CD1 3.73Å; K193-F308 HydrophobicContact CB-CE1 4.27Å; K193-F308 HydrophobicContact CB-CG 4.07Å |
| 194 | G | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178 | -158.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y185 E186 F299 V300 | Y185-G194 CarbonylContact C-O 3.56Å; Y185-G194 VanDerWaalsContact CA-O 3.22Å; Y185-G194 WeakPolarHBondContact CA-O 3.32Å; E186-G194 PolarHBondContact N-O 3.03Å; E186-G194 PolarHBondContact O-N 2.99Å; G194-F299 VanDerWaalsContact C-CE2 3.49Å; G194-F299 VanDerWaalsContact N-CZ 3.26Å; G194-V300 CarbonylContact C-O 3.59Å; G194-V300 VanDerWaalsContact CA-O 3.25Å; G194-V300 WeakPolarHBondContact CA-O 3.06Å |
| 195 | W | 94.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.1 | -172.1 | -59.2 | -89.5 | 0 | 0 | 0 | 111.5 | M180 Y185 I197 F299 V300 L302 M309 F311 T312 L315 | M180-W195 HydrophobicContact CE-CB 4.26Å; M180-W195 HydrophobicContact CE-CG 3.97Å; M180-W195 HydrophobicContact SD-CB 3.85Å; M180-W195 HydrophobicContact SD-CG 4.1Å; Y185-W195 HydrophobicContact CD2-CD2 4.25Å; Y185-W195 AromaticContact CD2-CE2 3.66Å; Y185-W195 AromaticContact CD2-CH2 3.84Å; Y185-W195 HydrophobicContact CD2-CH2 3.84Å; Y185-W195 AromaticContact CD2-CZ2 3.43Å; Y185-W195 HydrophobicContact CD2-CZ2 3.43Å; Y185-W195 VanDerWaalsContact CD2-CZ2 3.43Å; Y185-W195 HydrophobicContact CD2-CZ3 4.42Å; Y185-W195 AromaticContact CE2-CH2 3.93Å; Y185-W195 HydrophobicContact CE2-CH2 3.93Å; Y185-W195 AromaticContact CE2-CZ2 3.96Å; Y185-W195 HydrophobicContact CE2-CZ2 3.96Å; Y185-W195 HydrophobicContact CG-CZ2 4.13Å; W195-I197 HydrophobicContact CB-CG1 4.31Å; W195-F299 CarbonylContact O-C 3.56Å; W195-F299 WeakPolarHBondContact O-CA 3.29Å; W195-V300 PolarHBondContact N-O 3.36Å; W195-V300 PolarHBondContact O-N 2.64Å; W195-L302 HydrophobicContact CZ3-CB 3.99Å; W195-M309 WeakPolarHBondContact CH2-O 3.24Å; W195-F311 HydrophobicContact CH2-CB 3.83Å; W195-F311 HydrophobicContact CH2-CD2 4.28Å; W195-F311 HydrophobicContact CZ2-CB 4.24Å; W195-T312 PolarHBondContact NE1-OG1 2.82Å; W195-L315 HydrophobicContact CB-CD2 3.75Å; W195-L315 HydrophobicContact CD2-CD2 3.79Å; W195-L315 HydrophobicContact CE3-CD2 4.25Å; W195-L315 HydrophobicContact CG-CD2 3.53Å |
| 196 | E | 93.5 | Very high | 86.3 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 12% | 0.117 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 112.1 | 167.5 | -171.4 | 170.2 | -98.8 | 0 | 0 | 109.7 | M180 S181 K188 K297 I298 F299 | M180-E196 WeakPolarHBondContact CA-O 3.44Å; S181-E196 PolarHBondContact N-O 2.65Å; K188-E196 IonicContact NZ-OE1 3.66Å; K188-E196 PolarHBondContact NZ-OE1 3.14Å; K188-E196 IonicContact NZ-OE2 2.82Å; K188-E196 PolarHBondContact NZ-OE2 2.79Å; E196-K297 HydrophobicContact CG-CB 3.94Å; E196-K297 HydrophobicContact CG-CD 3.68Å; E196-K297 HydrophobicContact CG-CG 4.44Å; E196-K297 WeakPolarHBondContact OE2-CD 3.13Å; E196-K297 IonicContact OE2-NZ 2.76Å; E196-K297 PolarHBondContact OE2-NZ 3.29Å; E196-I298 CarbonylContact C-O 3.44Å; E196-I298 WeakPolarHBondContact CA-O 3.46Å; E196-F299 HydrophobicContact CB-CD2 4.26Å |
| 197 | I | 92.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.1 | -176 | -60.6 | 174.9 | 0 | 0 | 0 | 108.5 | I171 N175 N178 W195 K297 I298 V300 L315 | I171-I197 HydrophobicContact CD1-CD1 3.98Å; N175-I197 HydrophobicContact CB-CG2 4.42Å; N175-I197 WeakPolarHBondContact ND2-CG2 3.35Å; N178-I197 HydrophobicContact CB-CD1 4.28Å; W195-I197 HydrophobicContact CB-CG1 4.31Å; I197-K297 WeakPolarHBondContact O-CA 2.97Å; I197-I298 HydrophobicContact CB-CG1 3.96Å; I197-I298 PolarHBondContact N-O 2.94Å; I197-I298 PolarHBondContact O-N 2.83Å; I197-V300 HydrophobicContact CD1-CB 4.24Å; I197-V300 HydrophobicContact CD1-CG2 3.69Å; I197-L315 HydrophobicContact CD1-CD2 3.93Å; I197-L315 HydrophobicContact CD1-CG 4.49Å; I197-L315 HydrophobicContact CG1-CD2 4.43Å |
| 198 | H | 93.4 | Very high | 85.3 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 31% | 0.31 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 139.6 | 173.4 | -172.4 | 59.3 | 0 | 0 | 0 | 110 | N175 K179 P200 D296 | N175-H198 WeakPolarHBondContact CB-O 3.16Å; N175-H198 VanDerWaalsContact CG-O 3.29Å; N175-H198 PolarHBondContact ND2-N 3.28Å; N175-H198 PolarHBondContact ND2-O 2.88Å; K179-H198 PolarHBondContact O-N 2.97Å; K179-H198 VanDerWaalsContact O-N 3.15Å; H198-P200 VanDerWaalsContact CD2-CD 3.45Å; H198-P200 WeakPolarHBondContact CD2-CD 3.49Å; H198-P200 WeakPolarHBondContact NE2-CD 3.43Å; H198-P200 WeakPolarHBondContact NE2-CG 3.01Å; H198-D296 IonicContact CE1-OD2 3.95Å; H198-D296 PolarHBondContact CE1-OD2 2.86Å; H198-D296 IonicContact ND1-OD2 3.72Å; H198-D296 PolarHBondContact ND1-OD2 3.1Å |
| 199 | C | 94.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -156.1 | 61.4 | -173.3 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | C172 S174 P216 R287 D296 I298 | C172-C199 HydrophobicContact CB-CB 3.78Å; C172-C199 WeakPolarHBondContact CB-SG 3.46Å; C172-C199 WeakPolarHBondContact SG-CA 3.49Å; C172-C199 WeakPolarHBondContact SG-CB 3.31Å; C172-C199 CovalentContact SG-SG 2.02Å; C172-C199 PolarHBondContact SG-SG 3.22Å; S174-C199 VanDerWaalsContact OG-C 3.27Å; C199-P216 WeakPolarHBondContact SG-CG 3Å; C199-R287 WeakPolarHBondContact O-CD 3.36Å; C199-R287 PolarHBondContact O-NE 2.75Å; C199-D296 CarbonylContact C-O 3.58Å; C199-D296 VanDerWaalsContact CA-O 3.28Å; C199-D296 WeakPolarHBondContact CA-O 3.47Å; C199-D296 PolarHBondContact N-O 2.8Å; C199-I298 HydrophobicContact CB-CG1 4.35Å; C199-I298 HydrophobicContact CB-CG2 4.18Å | ||
| 200 | P | 93.5 | Very high | 85.8 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 22% | 0.221 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 171.7 | -173.9 | 31.5 | -37.5 | 0 | 0 | 0 | 112.2 | S174 H198 P216 | S174-P200 WeakPolarHBondContact CB-O 3.2Å; S174-P200 VanDerWaalsContact OG-CD 3.25Å; S174-P200 WeakPolarHBondContact OG-CD 3.34Å; S174-P200 PolarHBondContact OG-O 3.06Å; H198-P200 VanDerWaalsContact CD2-CD 3.45Å; H198-P200 WeakPolarHBondContact CD2-CD 3.49Å; H198-P200 WeakPolarHBondContact NE2-CD 3.43Å; H198-P200 WeakPolarHBondContact NE2-CG 3.01Å; P200-P216 WeakPolarHBondContact O-CG 3.37Å |
| 201 | N | 92.8 | Very high | 86.5 | Confident | 70 Ų | 70 | 65.5 Ų | 65.5 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 143 | 173 | -71.3 | -17 | 0 | 0 | 0 | 111.4 | H213 R214 L215 R287 | N201-H213 HydrophobicContact CB-CB 4.26Å; N201-R214 WeakPolarHBondContact CA-O 3.44Å; N201-L215 WeakPolarHBondContact OD1-CD2 3.36Å; N201-R287 PolarHBondContact OD1-NH2 3.1Å |
| 202 | T | 89.1 | Confident | 87.2 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 15% | 0.153 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 139.7 | 177 | -53.8 | 0 | 0 | 0 | 0 | 109.5 | H213 R214 | T202-H213 WeakPolarHBondContact O-CA 3.42Å; T202-R214 PolarHBondContact N-O 3Å; T202-R214 PolarHBondContact O-N 2.89Å |
| 203 | E | 86.4 | Confident | 87.4 | Confident | 105 Ų | 105 | 70.6 Ų | 70.6 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 130.3 | 169.2 | -73.6 | -178 | -162.6 | 0 | 0 | 110.5 | K211 H213 | E203-K211 IonicContact OE2-NZ 3.8Å; E203-K211 PolarHBondContact OE2-NZ 3.01Å; E203-H213 WeakPolarHBondContact CG-CE1 3.23Å; E203-H213 IonicContact OE1-CE1 3.55Å |
| 204 | Q | 82.1 | Confident | 87.5 | Confident | 92 Ų | 92 | 69.5 Ų | 69.5 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.3 | 170.6 | -176.4 | 173.3 | 8.9 | 0 | 0 | 109.4 | V212 R214 | Q204-V212 PolarHBondContact N-O 3.37Å; Q204-V212 PolarHBondContact O-N 3.41Å; Q204-R214 HydrophobicContact CB-CG 4.41Å; Q204-R214 VanDerWaalsContact OE1-CD 3.28Å |
| 205 | L | 82.5 | Confident | 87.5 | Confident | 123 Ų | 123 | 71.8 Ų | 71.8 | 64% | 0.644 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 119.2 | 170.7 | -83.2 | 142 | 0 | 0 | 0 | 109.5 | K211 | L205-K211 HydrophobicContact CD2-CG 4.07Å; L205-K211 HydrophobicContact CG-CG 4.29Å |
| 206 | L | 80.7 | Confident | 87.5 | Confident | 76 Ų | 76 | 71.8 Ų | 71.8 | 40% | 0.398 | 38% | 0.378 | S | S | . | . | trans | -77.7 | 164.1 | 171.7 | -63.5 | -177.5 | 0 | 0 | 0 | 110.7 | G208 G209 E210 V212 | L206-G208 PolarHBondContact O-N 3.06Å; L206-G209 PolarHBondContact O-N 3.41Å; L206-E210 HydrophobicContact CB-CB 4.48Å; L206-E210 HydrophobicContact CD1-CB 4.46Å; L206-E210 PolarHBondContact N-O 3.39Å; L206-V212 HydrophobicContact CD1-CG2 3.51Å; L206-V212 HydrophobicContact CG-CG2 3.94Å | ||
| 207 | K | 73.7 | Confident | 87.5 | Confident | 234 Ų | 234 | 71.7 Ų | 71.7 | 100% | 1.017 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 5.4 | 179.4 | -74.5 | -173.3 | 175.3 | -178.1 | 0 | 115.1 | ||
| 208 | G | 78.8 | Confident | 87.5 | Confident | 75 Ų | 75 | 71.7 Ų | 71.7 | 77% | 0.773 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 11 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L206 E210 | L206-G208 PolarHBondContact O-N 3.06Å; G208-E210 PolarHBondContact O-N 3.22Å |
| 209 | G | 82 | Confident | 87.5 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 55% | 0.546 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 79.6 | -7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L206 K211 | L206-G209 PolarHBondContact O-N 3.41Å; G209-K211 PolarHBondContact O-N 2.77Å |
| 210 | E | 82.9 | Confident | 87.4 | Confident | 128 Ų | 128 | 70.3 Ų | 70.3 | 60% | 0.598 | 37% | 0.371 | S | S | * | . | trans | -64.5 | 130.5 | 173 | -170.2 | 179.1 | -176.8 | 0 | 0 | 110.7 | L206 G208 V212 | L206-E210 HydrophobicContact CB-CB 4.48Å; L206-E210 HydrophobicContact CD1-CB 4.46Å; L206-E210 PolarHBondContact N-O 3.39Å; G208-E210 PolarHBondContact O-N 3.22Å; E210-V212 HydrophobicContact CG-CG2 4.38Å | ||
| 211 | K | 84.8 | Confident | 87.3 | Confident | 123 Ų | 123 | 68.8 Ų | 68.8 | 54% | 0.535 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 119.2 | 175.1 | -69.3 | -177.1 | 167.1 | -152.6 | 0 | 109.4 | E203 L205 G209 | E203-K211 IonicContact OE2-NZ 3.8Å; E203-K211 PolarHBondContact OE2-NZ 3.01Å; L205-K211 HydrophobicContact CD2-CG 4.07Å; L205-K211 HydrophobicContact CG-CG 4.29Å; G209-K211 PolarHBondContact O-N 2.77Å |
| 212 | V | 87.4 | Confident | 87.3 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 33% | 0.333 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.9 | 174.3 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | Q204 L206 E210 | Q204-V212 PolarHBondContact N-O 3.37Å; Q204-V212 PolarHBondContact O-N 3.41Å; L206-V212 HydrophobicContact CD1-CG2 3.51Å; L206-V212 HydrophobicContact CG-CG2 3.94Å; E210-V212 HydrophobicContact CG-CG2 4.38Å |
| 213 | H | 87.6 | Confident | 87.4 | Confident | 114 Ų | 114 | 64.7 Ų | 64.7 | 53% | 0.528 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.1 | 170.8 | -68 | -76.9 | 0 | 0 | 0 | 110 | N201 T202 E203 | N201-H213 HydrophobicContact CB-CB 4.26Å; T202-H213 WeakPolarHBondContact O-CA 3.42Å; E203-H213 WeakPolarHBondContact CG-CE1 3.23Å; E203-H213 IonicContact OE1-CE1 3.55Å |
| 214 | R | 91.6 | Very high | 87.7 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 23% | 0.226 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 164.2 | 174.4 | 65.2 | 162.8 | 176.9 | 83.1 | 0.1 | 111.6 | E173 N201 T202 Q204 | E173-R214 VanDerWaalsContact CD-NH2 3.34Å; E173-R214 IonicContact OE1-CZ 2.72Å; E173-R214 IonicContact OE1-NH1 2.62Å; E173-R214 IonicContact OE1-NH2 3.62Å; E173-R214 PolarHBondContact OE1-NH2 3.33Å; E173-R214 IonicContact OE2-CZ 3.59Å; E173-R214 IonicContact OE2-NH1 2.76Å; E173-R214 PolarHBondContact OE2-NH1 3.26Å; E173-R214 IonicContact OE2-NH2 3.58Å; E173-R214 PolarHBondContact OE2-NH2 3.38Å; N201-R214 WeakPolarHBondContact CA-O 3.44Å; T202-R214 PolarHBondContact N-O 3Å; T202-R214 PolarHBondContact O-N 2.89Å; Q204-R214 HydrophobicContact CB-CG 4.41Å; Q204-R214 VanDerWaalsContact OE1-CD 3.28Å |
| 215 | L | 92.6 | Very high | 88.2 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 137.3 | 173.8 | -60.9 | 169 | 0 | 0 | 0 | 110.4 | N201 N289 | N201-L215 WeakPolarHBondContact OD1-CD2 3.36Å; L215-N289 HydrophobicContact CD1-CB 3.85Å; L215-N289 HydrophobicContact CD2-CB 3.67Å; L215-N289 HydrophobicContact CG-CB 4.36Å |
| 216 | P | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 147 | 178.2 | 30.5 | -36.3 | 0 | 0 | 0 | 110.7 | E173 C199 P200 K286 R287 | E173-P216 HydrophobicContact CB-CB 4.03Å; C199-P216 WeakPolarHBondContact SG-CG 3Å; P200-P216 WeakPolarHBondContact O-CG 3.37Å; P216-K286 WeakPolarHBondContact O-CA 3.36Å; P216-R287 HydrophobicContact CG-CB 3.8Å; P216-R287 PolarHBondContact O-N 2.97Å; P216-R287 VanDerWaalsContact O-N 3.12Å |
| 217 | N | 93.7 | Very high | 88.2 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 13% | 0.128 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 149.1 | 169.1 | -63.5 | -41.5 | 0 | 0 | 0 | 110.7 | E173 Y219 I283 K286 | E173-N217 HydrophobicContact CB-CB 4.21Å; E173-N217 WeakPolarHBondContact CB-O 3.2Å; E173-N217 PolarHBondContact N-O 2.93Å; E173-N217 PolarHBondContact OE2-N 3.22Å; E173-N217 PolarHBondContact OE2-ND2 2.99Å; E173-N217 VanDerWaalsContact OE2-ND2 3.17Å; N217-Y219 HydrophobicContact CB-CE1 4.5Å; N217-I283 HydrophobicContact CB-CD1 4.45Å; N217-I283 HydrophobicContact CB-CG1 4.31Å; N217-I283 HydrophobicContact CB-CG2 4.18Å; N217-K286 WeakPolarHBondContact OD1-CE 3.27Å |
| 218 | I | 94 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.6 | 172.8 | -56.4 | -59.2 | 0 | 0 | 0 | 108 | I171 C172 I264 A267 I284 G285 R287 I298 | I171-I218 HydrophobicContact CG2-CG2 4.45Å; I171-I218 CarbonylContact O-C 3.38Å; I171-I218 WeakPolarHBondContact O-CA 2.89Å; C172-I218 HydrophobicContact CB-CD1 4.38Å; I218-I264 HydrophobicContact CG2-CD1 3.93Å; I218-I264 HydrophobicContact CG2-CG2 4.12Å; I218-A267 HydrophobicContact CG1-CB 4.12Å; I218-I284 HydrophobicContact CG2-CD1 4.19Å; I218-I284 HydrophobicContact CG2-CG1 4.1Å; I218-I284 VanDerWaalsContact O-CG1 3.32Å; I218-I284 WeakPolarHBondContact O-CG1 3.23Å; I218-I284 PolarHBondContact O-N 3.05Å; I218-G285 PolarHBondContact N-O 3.31Å; I218-G285 PolarHBondContact O-N 2.9Å; I218-R287 HydrophobicContact CD1-CB 4.34Å; I218-I298 HydrophobicContact CD1-CD1 4.05Å; I218-I298 HydrophobicContact CD1-CG2 4.08Å |
| 219 | Y | 91.9 | Very high | 88.4 | Confident | 38 Ų | 38 | 43.4 Ų | 43.4 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 149.3 | 178.3 | -55.7 | -63.9 | 0 | 0 | 0 | 110.9 | Q170 I171 E173 N217 P221 G281 Q282 I283 | Q170-Y219 HydrophobicContact CB-CD2 4.43Å; Q170-Y219 HydrophobicContact CG-CD2 4.1Å; Q170-Y219 HydrophobicContact CG-CE2 4.19Å; Q170-Y219 VanDerWaalsContact O-CB 3.3Å; Q170-Y219 WeakPolarHBondContact O-CB 3.04Å; Q170-Y219 WeakPolarHBondContact O-CD2 3.26Å; I171-Y219 PolarHBondContact O-N 2.84Å; E173-Y219 HydrophobicContact CB-CE2 4.1Å; N217-Y219 HydrophobicContact CB-CE1 4.5Å; Y219-P221 WeakPolarHBondContact O-CD 3.46Å; Y219-G281 WeakPolarHBondContact CD1-O 3.43Å; Y219-Q282 CarbonylContact C-O 3.49Å; Y219-Q282 VanDerWaalsContact CA-O 3.25Å; Y219-Q282 WeakPolarHBondContact CA-O 3.38Å; Y219-I283 HydrophobicContact CD1-CG1 3.81Å; Y219-I283 HydrophobicContact CE1-CD1 4.36Å; Y219-I283 HydrophobicContact CE1-CG1 3.54Å |
| 220 | S | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -65.9 | 124.1 | 174.1 | -165.8 | 0 | 0 | 0 | 0 | 110 | I222 R279 Q280 G281 Q282 | S220-I222 PolarHBondContact O-N 3.49Å; S220-I222 PolarHBondContact OG-O 3.31Å; S220-R279 WeakPolarHBondContact CB-O 3.11Å; S220-Q280 CarbonylContact O-C 3.53Å; S220-Q280 WeakPolarHBondContact O-CA 3.48Å; S220-G281 PolarHBondContact O-N 3.04Å; S220-Q282 PolarHBondContact N-O 2.98Å | ||
| 221 | P | 92.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -72.6 | -16.4 | 177.3 | 28.2 | -34.6 | 0 | 0 | 0 | 112.8 | T168 I171 Y219 A262 I264 Q280 | T168-P221 CarbonylContact C-O 3.21Å; T168-P221 WeakPolarHBondContact CA-O 3.43Å; T168-P221 VanDerWaalsContact CB-O 3.31Å; T168-P221 WeakPolarHBondContact CB-O 3.46Å; T168-P221 HydrophobicContact CG2-CB 4.21Å; T168-P221 CarbonylContact O-C 3.57Å; T168-P221 WeakPolarHBondContact O-CA 3.09Å; I171-P221 HydrophobicContact CD1-CB 3.9Å; I171-P221 HydrophobicContact CG1-CB 4.06Å; Y219-P221 WeakPolarHBondContact O-CD 3.46Å; P221-A262 HydrophobicContact CG-CB 3.59Å; P221-I264 HydrophobicContact CG-CD1 4.29Å; P221-Q280 PolarHBondContact O-NE2 2.85Å |
| 222 | I | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -144.1 | 159.8 | -173.8 | 63.9 | 176.2 | 0 | 0 | 0 | 110.3 | S220 V251 W257 F260 A262 Q280 L302 | S220-I222 PolarHBondContact O-N 3.49Å; S220-I222 PolarHBondContact OG-O 3.31Å; I222-V251 HydrophobicContact CD1-CG1 4.28Å; I222-V251 HydrophobicContact CG1-CB 4.46Å; I222-V251 HydrophobicContact CG1-CG1 3.94Å; I222-W257 HydrophobicContact CB-CB 4.19Å; I222-W257 HydrophobicContact CB-CD2 3.66Å; I222-W257 HydrophobicContact CB-CE3 3.95Å; I222-W257 HydrophobicContact CB-CG 3.78Å; I222-W257 HydrophobicContact CG2-CD2 3.46Å; I222-W257 VanDerWaalsContact CG2-CD2 3.46Å; I222-W257 HydrophobicContact CG2-CE3 3.26Å; I222-W257 HydrophobicContact CG2-CG 4.13Å; I222-W257 HydrophobicContact CG2-CH2 3.81Å; I222-W257 HydrophobicContact CG2-CZ2 4.01Å; I222-W257 HydrophobicContact CG2-CZ3 3.45Å; I222-W257 VanDerWaalsContact CG2-CZ3 3.45Å; I222-F260 HydrophobicContact CD1-CB 4.16Å; I222-A262 HydrophobicContact CD1-CB 3.87Å; I222-A262 HydrophobicContact CG1-CB 4.16Å; I222-Q280 PolarHBondContact O-N 2.77Å; I222-L302 HydrophobicContact CD1-CD1 4.46Å; I222-L302 HydrophobicContact CG2-CD1 4.12Å |
| 223 | D | 91.6 | Very high | 87.4 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 5% | 0.053 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -71.7 | 140.4 | 163.8 | -69.4 | -41.4 | 0 | 0 | 0 | 109.6 | G253 A254 R279 Q280 | D223-G253 WeakPolarHBondContact O-CA 3.41Å; D223-A254 PolarHBondContact O-N 2.9Å; D223-R279 WeakPolarHBondContact OD1-CA 3.12Å; D223-R279 WeakPolarHBondContact OD1-CD 3.42Å; D223-Q280 PolarHBondContact OD1-N 3.3Å |
| 224 | G | 93.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.6 | -166.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116 | L252 T277 V278 | G224-L252 CarbonylContact C-O 3.58Å; G224-L252 WeakPolarHBondContact CA-O 3.4Å; G224-T277 CarbonylContact O-C 3.42Å; G224-T277 WeakPolarHBondContact O-CA 3.37Å; G224-V278 PolarHBondContact N-O 3.23Å; G224-V278 PolarHBondContact O-N 2.7Å |
| 225 | H | 91.8 | Very high | 85.3 | Confident | 37 Ų | 37 | 33.9 Ų | 33.9 | 17% | 0.171 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.5 | 167.2 | -60.2 | -64.8 | 0 | 0 | 0 | 109.1 | L227 L252 R275 Q276 | H225-L227 HydrophobicContact CB-CD2 4.37Å; H225-L227 PolarHBondContact O-N 2.67Å; H225-L252 PolarHBondContact N-O 3.18Å; H225-L252 PolarHBondContact O-N 2.92Å; H225-R275 HydrophobicContact CB-CG 4.02Å; H225-R275 PolarHBondContact CD2-NH2 2.89Å; H225-R275 PolarHBondContact NE2-NH2 3.07Å; H225-Q276 CarbonylContact C-O 3.5Å; H225-Q276 VanDerWaalsContact CA-O 3.31Å; H225-Q276 WeakPolarHBondContact CA-O 3.41Å |
| 226 | F | 85.1 | Confident | 84 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 126.8 | 167.6 | 175.8 | -103 | 0 | 0 | 0 | 108.6 | G228 I249 F269 G274 Q276 V278 | F226-G228 VanDerWaalsContact CE1-CA 3.49Å; F226-G228 WeakPolarHBondContact CE2-O 3.38Å; F226-G228 WeakPolarHBondContact CZ-O 3.46Å; F226-I249 HydrophobicContact CD2-CG2 3.93Å; F226-I249 HydrophobicContact CE2-CG2 3.66Å; F226-F269 HydrophobicContact CE1-CB 4.44Å; F226-F269 HydrophobicContact CE1-CD2 4.12Å; F226-F269 HydrophobicContact CE1-CG 4.38Å; F226-F269 HydrophobicContact CE2-CB 3.7Å; F226-F269 HydrophobicContact CE2-CG 4.28Å; F226-F269 HydrophobicContact CZ-CB 3.38Å; F226-F269 HydrophobicContact CZ-CD1 4.22Å; F226-F269 AromaticContact CZ-CD2 3.7Å; F226-F269 HydrophobicContact CZ-CD2 3.7Å; F226-F269 AromaticContact CZ-CG 3.51Å; F226-F269 HydrophobicContact CZ-CG 3.51Å; F226-G274 VanDerWaalsContact O-O 3.07Å; F226-Q276 PolarHBondContact N-O 2.81Å; F226-V278 HydrophobicContact CB-CG1 3.8Å |
| 227 | L | 77.8 | Confident | 82.7 | Confident | 88 Ų | 88 | 47.1 Ų | 47.1 | 46% | 0.461 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -12.2 | 178 | -56.2 | -171 | 0 | 0 | 0 | 113.4 | H225 F250 L252 R275 | H225-L227 HydrophobicContact CB-CD2 4.37Å; H225-L227 PolarHBondContact O-N 2.67Å; L227-F250 HydrophobicContact CB-CD1 3.94Å; L227-F250 HydrophobicContact CB-CE1 4.49Å; L227-F250 HydrophobicContact CD1-CD1 3.73Å; L227-F250 HydrophobicContact CD1-CE1 3.41Å; L227-F250 VanDerWaalsContact CD1-CE1 3.41Å; L227-F250 HydrophobicContact CG-CD1 3.88Å; L227-F250 HydrophobicContact CG-CE1 3.97Å; L227-F250 PolarHBondContact N-O 3.4Å; L227-L252 HydrophobicContact CD1-CB 4.3Å; L227-L252 HydrophobicContact CG-CB 4.36Å; L227-R275 HydrophobicContact CD2-CG 4.44Å |
| 228 | G | 75.3 | Confident | 81.5 | Confident | 4 Ų | 4 | 49 Ų | 49 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 129.3 | -156.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F226 F250 | F226-G228 VanDerWaalsContact CE1-CA 3.49Å; F226-G228 WeakPolarHBondContact CE2-O 3.38Å; F226-G228 WeakPolarHBondContact CZ-O 3.46Å; G228-F250 PolarHBondContact O-N 3.01Å |
| 229 | R | 80.9 | Confident | 80.3 | Confident | 128 Ų | 128 | 53.3 Ų | 53.3 | 48% | 0.483 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 151.1 | 170.2 | 65.1 | 176.1 | -176.6 | -156.2 | -4 | 111.3 | G248 F269 | R229-G248 VanDerWaalsContact CA-O 3.26Å; R229-G248 WeakPolarHBondContact CA-O 3.27Å; R229-F269 HydrophobicContact CB-CD1 3.92Å; R229-F269 HydrophobicContact CB-CE1 3.74Å; R229-F269 HydrophobicContact CG-CE1 4.18Å |
| 230 | F | 84.4 | Confident | 79.2 | Confident | 41 Ų | 41 | 56.1 Ų | 56.1 | 18% | 0.18 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 156.9 | 162.1 | 78 | -80.1 | 0 | 0 | 0 | 110 | P232 G248 I249 F250 H263 Y265 | F230-P232 HydrophobicContact CD2-CG 4.14Å; F230-P232 HydrophobicContact CE2-CB 4.32Å; F230-P232 HydrophobicContact CE2-CG 3.6Å; F230-P232 HydrophobicContact CZ-CG 4.27Å; F230-G248 WeakPolarHBondContact CD1-O 3.17Å; F230-G248 VanDerWaalsContact CE1-C 3.4Å; F230-G248 PolarHBondContact N-O 2.86Å; F230-G248 PolarHBondContact O-N 3.27Å; F230-I249 WeakPolarHBondContact CE1-O 3.28Å; F230-F250 HydrophobicContact CD1-CB 3.97Å; F230-H263 HydrophobicContact CE1-CB 3.98Å; F230-H263 HydrophobicContact CE2-CB 4.49Å; F230-H263 HydrophobicContact CZ-CB 3.73Å; F230-Y265 AromaticContact CE2-CD1 3.92Å; F230-Y265 HydrophobicContact CE2-CD1 3.92Å; F230-Y265 AromaticContact CE2-CE1 3.4Å; F230-Y265 HydrophobicContact CE2-CE1 3.4Å; F230-Y265 AromaticContact CE2-CZ 3.79Å; F230-Y265 AromaticContact CZ-CD1 3.69Å; F230-Y265 HydrophobicContact CZ-CD1 3.69Å; F230-Y265 HydrophobicContact CZ-CD2 4.22Å; F230-Y265 AromaticContact CZ-CE1 3.49Å; F230-Y265 HydrophobicContact CZ-CE1 3.49Å; F230-Y265 VanDerWaalsContact CZ-CE1 3.49Å; F230-Y265 HydrophobicContact CZ-CE2 4.06Å; F230-Y265 HydrophobicContact CZ-CG 4.07Å; F230-Y265 AromaticContact CZ-CZ 3.68Å |
| 231 | R | 82.3 | Confident | 78.3 | Confident | 51 Ų | 51 | 58.1 Ų | 58.1 | 19% | 0.192 | 31% | 0.308 | C | S | . | . | trans | -119.2 | 102.7 | -179.9 | -70.9 | -167 | 177.7 | 129.7 | -10.4 | 110.8 | K233 E240 Y242 N246 D247 | R231-K233 PolarHBondContact O-N 2.89Å; R231-E240 IonicContact CZ-OE2 2.62Å; R231-E240 IonicContact NH1-OE2 2.74Å; R231-E240 PolarHBondContact NH1-OE2 2.88Å; R231-Y242 VanDerWaalsContact NH2-CD1 3.3Å; R231-N246 WeakPolarHBondContact CA-O 3.48Å; R231-N246 WeakPolarHBondContact CG-O 3.05Å; R231-D247 IonicContact NE-OD1 3.8Å | ||
| 232 | P | 75 | Confident | 77.6 | Confident | 37 Ų | 37 | 65.5 Ų | 65.5 | 24% | 0.24 | 34% | 0.337 | C | S | . | . | trans | -61.1 | -40 | -174.3 | -20.4 | 24.7 | 0 | 0 | 0 | 115 | H190 F191 F230 N246 Y265 | H190-P232 WeakPolarHBondContact O-CB 3.28Å; F191-P232 HydrophobicContact CD1-CB 4.35Å; F191-P232 HydrophobicContact CD1-CG 4.44Å; F230-P232 HydrophobicContact CD2-CG 4.14Å; F230-P232 HydrophobicContact CE2-CB 4.32Å; F230-P232 HydrophobicContact CE2-CG 3.6Å; F230-P232 HydrophobicContact CZ-CG 4.27Å; P232-N246 VanDerWaalsContact CD-O 3.28Å; P232-N246 WeakPolarHBondContact CD-O 3.46Å; P232-N246 VanDerWaalsContact CD-OD1 3.23Å; P232-N246 WeakPolarHBondContact CD-OD1 3.36Å; P232-Y265 HydrophobicContact CB-CD1 4.01Å; P232-Y265 HydrophobicContact CB-CE1 3.74Å; P232-Y265 HydrophobicContact CG-CD1 3.33Å; P232-Y265 HydrophobicContact CG-CE1 3.45Å; P232-Y265 VanDerWaalsContact CG-CE1 3.45Å | ||
| 233 | K | 74.8 | Confident | 77 | Confident | 51 Ų | 51 | 66.9 Ų | 66.9 | 22% | 0.222 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -97.9 | 117.3 | -173.8 | -61.6 | 166.1 | -177.5 | 175.1 | 0 | 109.7 | H190 R231 N241 N246 | H190-K233 HydrophobicContact CB-CD 4.35Å; H190-K233 HydrophobicContact CB-CG 3.76Å; R231-K233 PolarHBondContact O-N 2.89Å; K233-N241 HydrophobicContact CB-CB 4.3Å; K233-N241 VanDerWaalsContact O-CB 3.29Å; K233-N241 WeakPolarHBondContact O-CB 3.39Å; K233-N241 PolarHBondContact O-N 3.26Å; K233-N246 WeakPolarHBondContact CA-OD1 3.43Å; K233-N246 WeakPolarHBondContact CB-OD1 3.45Å; K233-N246 WeakPolarHBondContact CG-OD1 3.28Å; K233-N246 PolarHBondContact N-OD1 2.79Å; K233-N246 PolarHBondContact O-ND2 3.05Å |
| 234 | A | 69.4 | Low | 76.6 | Confident | 73 Ų | 73 | 68.8 Ų | 68.8 | 60% | 0.603 | 36% | 0.361 | S | S | * | . | B | Isolated β-bridge | trans | -87.2 | 149.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 235 | L | 65.3 | Low | 76 | Confident | 79 Ų | 79 | 69.3 Ų | 69.3 | 41% | 0.414 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 156.5 | 163.4 | -64.7 | 167.1 | 0 | 0 | 0 | 109 | N237 G238 I239 N241 | L235-N237 WeakPolarHBondContact CB-OD1 3.24Å; L235-N237 PolarHBondContact O-N 3.48Å; L235-G238 PolarHBondContact O-N 2.84Å; L235-I239 HydrophobicContact CB-CB 4.3Å; L235-I239 VanDerWaalsContact CB-O 3.23Å; L235-I239 WeakPolarHBondContact CB-O 3.39Å; L235-I239 HydrophobicContact CD1-CB 3.91Å; L235-I239 HydrophobicContact CD1-CG2 3.92Å; L235-I239 WeakPolarHBondContact CG-O 3.43Å; L235-I239 PolarHBondContact N-O 2.81Å; L235-N241 HydrophobicContact CD2-CB 4.43Å; L235-N241 HydrophobicContact CG-CB 4.25Å |
| 236 | E | 66.4 | Low | 75.7 | Confident | 215 Ų | 215 | 67.6 Ų | 67.6 | 100% | 1.005 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -19.8 | -175.6 | -69.6 | -178 | 166.2 | 0 | 0 | 114 | ||
| 237 | N | 67.1 | Low | 75.8 | Confident | 112 Ų | 112 | 68.7 Ų | 68.7 | 60% | 0.599 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 13.3 | 177.1 | 58.9 | 1.7 | 0 | 0 | 0 | 114 | L235 I239 | L235-N237 WeakPolarHBondContact CB-OD1 3.24Å; L235-N237 PolarHBondContact O-N 3.48Å; N237-I239 VanDerWaalsContact ND2-CD1 3.25Å; N237-I239 WeakPolarHBondContact ND2-CD1 3.47Å; N237-I239 PolarHBondContact O-N 2.84Å; N237-I239 WeakPolarHBondContact OD1-CB 3.48Å; N237-I239 VanDerWaalsContact OD1-CG1 3.32Å; N237-I239 WeakPolarHBondContact OD1-CG1 3.29Å; N237-I239 PolarHBondContact OD1-N 3.36Å |
| 238 | G | 67.7 | Low | 76.4 | Confident | 62 Ų | 62 | 64.5 Ų | 64.5 | 64% | 0.639 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 76.5 | 2.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L235 | L235-G238 PolarHBondContact O-N 2.84Š|
| 239 | I | 67.9 | Low | 77.3 | Confident | 92 Ų | 92 | 64.3 Ų | 64.3 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | trans | -75.4 | 132.7 | 174.6 | -58.9 | -179.8 | 0 | 0 | 0 | 108.7 | L235 N237 N241 | L235-I239 HydrophobicContact CB-CB 4.3Å; L235-I239 VanDerWaalsContact CB-O 3.23Å; L235-I239 WeakPolarHBondContact CB-O 3.39Å; L235-I239 HydrophobicContact CD1-CB 3.91Å; L235-I239 HydrophobicContact CD1-CG2 3.92Å; L235-I239 WeakPolarHBondContact CG-O 3.43Å; L235-I239 PolarHBondContact N-O 2.81Å; N237-I239 VanDerWaalsContact ND2-CD1 3.25Å; N237-I239 WeakPolarHBondContact ND2-CD1 3.47Å; N237-I239 PolarHBondContact O-N 2.84Å; N237-I239 WeakPolarHBondContact OD1-CB 3.48Å; N237-I239 VanDerWaalsContact OD1-CG1 3.32Å; N237-I239 WeakPolarHBondContact OD1-CG1 3.29Å; N237-I239 PolarHBondContact OD1-N 3.36Å; I239-N241 PolarHBondContact O-N 3.49Å | ||
| 240 | E | 70.3 | Confident | 77.8 | Confident | 96 Ų | 96 | 60 Ų | 60 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -59.8 | 134.6 | 175.8 | -65.5 | -173.7 | -177.3 | 0 | 0 | 111.2 | R231 Y242 | R231-E240 IonicContact CZ-OE2 2.62Å; R231-E240 IonicContact NH1-OE2 2.74Å; R231-E240 PolarHBondContact NH1-OE2 2.88Å; E240-Y242 HydrophobicContact CB-CD2 4.29Å; E240-Y242 HydrophobicContact CB-CE2 3.75Å; E240-Y242 WeakPolarHBondContact O-CD2 3.42Å; E240-Y242 WeakPolarHBondContact O-CE2 3.14Å; E240-Y242 PolarHBondContact O-N 2.99Å |
| 241 | N | 72.9 | Confident | 78.2 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | trans | -80.5 | 112.8 | 172.2 | -177.6 | -2.9 | 0 | 0 | 0 | 109.4 | K233 L235 I239 A243 N246 | K233-N241 HydrophobicContact CB-CB 4.3Å; K233-N241 VanDerWaalsContact O-CB 3.29Å; K233-N241 WeakPolarHBondContact O-CB 3.39Å; K233-N241 PolarHBondContact O-N 3.26Å; L235-N241 HydrophobicContact CD2-CB 4.43Å; L235-N241 HydrophobicContact CG-CB 4.25Å; I239-N241 PolarHBondContact O-N 3.49Å; N241-A243 VanDerWaalsContact C-N 3.28Å; N241-A243 PolarHBondContact O-N 3.34Å; N241-A243 WeakPolarHBondContact OD1-CB 3.43Å; N241-A243 PolarHBondContact OD1-N 2.88Å; N241-N246 PolarHBondContact O-ND2 3.4Å | ||
| 242 | Y | 78.8 | Confident | 78.8 | Confident | 157 Ų | 157 | 58.7 Ų | 58.7 | 62% | 0.616 | 32% | 0.322 | S | S | * | . | trans | -86.8 | 10.4 | -179.4 | -72.5 | -96.3 | 0 | 0 | 0 | 113.9 | R231 E240 | R231-Y242 VanDerWaalsContact NH2-CD1 3.3Å; E240-Y242 HydrophobicContact CB-CD2 4.29Å; E240-Y242 HydrophobicContact CB-CE2 3.75Å; E240-Y242 WeakPolarHBondContact O-CD2 3.42Å; E240-Y242 WeakPolarHBondContact O-CE2 3.14Å; E240-Y242 PolarHBondContact O-N 2.99Å | ||
| 243 | A | 79.8 | Confident | 79.6 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | trans | -58.5 | 144.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N241 S245 N246 | N241-A243 VanDerWaalsContact C-N 3.28Å; N241-A243 PolarHBondContact O-N 3.34Å; N241-A243 WeakPolarHBondContact OD1-CB 3.43Å; N241-A243 PolarHBondContact OD1-N 2.88Å; A243-S245 PolarHBondContact O-N 2.92Å; A243-N246 WeakPolarHBondContact O-CB 3.18Å; A243-N246 PolarHBondContact O-N 2.6Å | ||
| 244 | C | 83.3 | Confident | 80.5 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 34% | 0.338 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -51.4 | -43.2 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | N246 D247 L288 C290 | C244-N246 PolarHBondContact O-N 3.4Å; C244-D247 PolarHBondContact O-N 2.91Å; C244-L288 WeakPolarHBondContact O-CD1 3.28Å; C244-C290 HydrophobicContact CB-CB 3.65Å; C244-C290 WeakPolarHBondContact CB-SG 3.41Å; C244-C290 PolarHBondContact O-SG 2.86Å; C244-C290 VanDerWaalsContact O-SG 3.38Å; C244-C290 WeakPolarHBondContact SG-CA 3.5Å; C244-C290 WeakPolarHBondContact SG-CB 3.3Å; C244-C290 CovalentContact SG-SG 2.04Å; C244-C290 PolarHBondContact SG-SG 2.79Å |
| 245 | S | 80.7 | Confident | 81.4 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -66.2 | -2.1 | -178.8 | 57.8 | 0 | 0 | 0 | 0 | 114.8 | A243 C290 D292 | A243-S245 PolarHBondContact O-N 2.92Å; S245-C290 PolarHBondContact N-SG 2.85Å; S245-D292 VanDerWaalsContact CB-OD2 3.31Å; S245-D292 WeakPolarHBondContact CB-OD2 3.25Å; S245-D292 PolarHBondContact OG-OD2 3.32Å |
| 246 | N | 83.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -108.7 | 20 | -177.6 | -159.8 | 41.6 | 0 | 0 | 0 | 114 | R231 P232 K233 N241 A243 C244 | R231-N246 WeakPolarHBondContact CA-O 3.48Å; R231-N246 WeakPolarHBondContact CG-O 3.05Å; P232-N246 VanDerWaalsContact CD-O 3.28Å; P232-N246 WeakPolarHBondContact CD-O 3.46Å; P232-N246 VanDerWaalsContact CD-OD1 3.23Å; P232-N246 WeakPolarHBondContact CD-OD1 3.36Å; K233-N246 WeakPolarHBondContact CA-OD1 3.43Å; K233-N246 WeakPolarHBondContact CB-OD1 3.45Å; K233-N246 WeakPolarHBondContact CG-OD1 3.28Å; K233-N246 PolarHBondContact N-OD1 2.79Å; K233-N246 PolarHBondContact O-ND2 3.05Å; N241-N246 PolarHBondContact O-ND2 3.4Å; A243-N246 WeakPolarHBondContact O-CB 3.18Å; A243-N246 PolarHBondContact O-N 2.6Å; C244-N246 PolarHBondContact O-N 3.4Å |
| 247 | D | 88.2 | Confident | 83.6 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | trans | -99.4 | 138 | 172.4 | -87.4 | 1.7 | 0 | 0 | 0 | 110.7 | R231 C244 N266 A267 L288 | R231-D247 IonicContact NE-OD1 3.8Å; C244-D247 PolarHBondContact O-N 2.91Å; D247-N266 PolarHBondContact O-N 2.93Å; D247-A267 CarbonylContact C-O 3.5Å; D247-A267 PolarHBondContact O-N 2.9Å; D247-L288 HydrophobicContact CB-CD1 3.7Å | ||
| 248 | G | 91.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 164.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R229 F230 I264 | R229-G248 VanDerWaalsContact CA-O 3.26Å; R229-G248 WeakPolarHBondContact CA-O 3.27Å; F230-G248 WeakPolarHBondContact CD1-O 3.17Å; F230-G248 VanDerWaalsContact CE1-C 3.4Å; F230-G248 PolarHBondContact N-O 2.86Å; F230-G248 PolarHBondContact O-N 3.27Å; G248-I264 CarbonylContact C-O 3.37Å; G248-I264 WeakPolarHBondContact CA-O 3.45Å |
| 249 | I | 92.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.9 | 179.5 | -60.6 | 173.7 | 0 | 0 | 0 | 109.7 | F226 F230 V251 H263 I264 A267 F269 I284 | F226-I249 HydrophobicContact CD2-CG2 3.93Å; F226-I249 HydrophobicContact CE2-CG2 3.66Å; F230-I249 WeakPolarHBondContact CE1-O 3.28Å; I249-V251 HydrophobicContact CG2-CG2 4.29Å; I249-H263 WeakPolarHBondContact O-CA 3.1Å; I249-I264 HydrophobicContact CB-CB 4.35Å; I249-I264 PolarHBondContact N-O 2.9Å; I249-I264 PolarHBondContact O-N 2.78Å; I249-A267 HydrophobicContact CD1-CB 3.83Å; I249-A267 HydrophobicContact CG1-CB 4.14Å; I249-F269 HydrophobicContact CD1-CB 4.25Å; I249-F269 HydrophobicContact CG1-CB 4.08Å; I249-I284 HydrophobicContact CD1-CD1 4.33Å; I249-I284 HydrophobicContact CD1-CG1 4.28Å; I249-I284 HydrophobicContact CG2-CD1 3.83Å |
| 250 | F | 92 | Very high | 87.1 | Confident | 38 Ų | 38 | 43.2 Ų | 43.2 | 17% | 0.167 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.1 | 175.8 | 179.5 | -97.3 | 0 | 0 | 0 | 111.6 | L227 G228 F230 L252 T261 H263 | L227-F250 HydrophobicContact CB-CD1 3.94Å; L227-F250 HydrophobicContact CB-CE1 4.49Å; L227-F250 HydrophobicContact CD1-CD1 3.73Å; L227-F250 HydrophobicContact CD1-CE1 3.41Å; L227-F250 VanDerWaalsContact CD1-CE1 3.41Å; L227-F250 HydrophobicContact CG-CD1 3.88Å; L227-F250 HydrophobicContact CG-CE1 3.97Å; L227-F250 PolarHBondContact N-O 3.4Å; G228-F250 PolarHBondContact O-N 3.01Å; F230-F250 HydrophobicContact CD1-CB 3.97Å; F250-L252 HydrophobicContact CE1-CB 3.99Å; F250-T261 HydrophobicContact CE2-CG2 4.12Å; F250-T261 HydrophobicContact CZ-CG2 3.88Å; F250-H263 AromaticContact CD2-CD2 3.48Å; F250-H263 VanDerWaalsContact CD2-CD2 3.48Å; F250-H263 WeakPolarHBondContact CD2-CD2 3.48Å; F250-H263 AromaticContact CD2-CE1 3.77Å; F250-H263 AromaticContact CD2-CG 3.95Å; F250-H263 AromaticContact CD2-NE2 3.34Å; F250-H263 VanDerWaalsContact CD2-NE2 3.34Å; F250-H263 WeakPolarHBondContact CD2-NE2 3.41Å; F250-H263 AromaticContact CE2-CD2 3.95Å; F250-H263 AromaticContact CE2-CE1 3.46Å; F250-H263 VanDerWaalsContact CE2-CE1 3.46Å; F250-H263 WeakPolarHBondContact CE2-CE1 3.16Å; F250-H263 AromaticContact CE2-NE2 3.3Å; F250-H263 VanDerWaalsContact CE2-NE2 3.3Å; F250-H263 WeakPolarHBondContact CE2-NE2 3.29Å |
| 251 | V | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 120.7 | 174.2 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | I222 I249 T261 A262 V278 I284 | I222-V251 HydrophobicContact CD1-CG1 4.28Å; I222-V251 HydrophobicContact CG1-CB 4.46Å; I222-V251 HydrophobicContact CG1-CG1 3.94Å; I249-V251 HydrophobicContact CG2-CG2 4.29Å; V251-T261 WeakPolarHBondContact O-CA 2.99Å; V251-A262 HydrophobicContact CB-CB 4.38Å; V251-A262 PolarHBondContact N-O 2.9Å; V251-A262 PolarHBondContact O-N 2.96Å; V251-V278 HydrophobicContact CG1-CG2 3.76Å; V251-V278 HydrophobicContact CG2-CG2 4.47Å; V251-I284 HydrophobicContact CG2-CD1 4.38Å |
| 252 | L | 93.7 | Very high | 89.3 | Confident | 63 Ų | 63 | 37.7 Ų | 37.7 | 33% | 0.33 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119.5 | 170.4 | -178.6 | 64 | 0 | 0 | 0 | 108.6 | G224 H225 L227 F250 T261 | G224-L252 CarbonylContact C-O 3.58Å; G224-L252 WeakPolarHBondContact CA-O 3.4Å; H225-L252 PolarHBondContact N-O 3.18Å; H225-L252 PolarHBondContact O-N 2.92Å; L227-L252 HydrophobicContact CD1-CB 4.3Å; L227-L252 HydrophobicContact CG-CB 4.36Å; F250-L252 HydrophobicContact CE1-CB 3.99Å; L252-T261 HydrophobicContact CD1-CG2 3.94Å |
| 253 | G | 93.7 | Very high | 90 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 150.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D223 W257 F260 | D223-G253 WeakPolarHBondContact O-CA 3.41Å; G253-W257 CarbonylContact C-O 3.48Å; G253-W257 VanDerWaalsContact CA-O 3.25Å; G253-W257 WeakPolarHBondContact CA-O 3.23Å; G253-F260 WeakPolarHBondContact CA-O 3.27Å; G253-F260 PolarHBondContact N-O 2.78Å |
| 254 | A | 92.3 | Very high | 90.7 | Very high | 20 Ų | 20 | 29.9 Ų | 29.9 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | trans | -141.1 | 164 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D223 H256 W257 | D223-A254 PolarHBondContact O-N 2.9Å; A254-H256 PolarHBondContact O-N 3.48Å; A254-W257 PolarHBondContact O-N 2.55Å | ||
| 255 | G | 88.2 | Confident | 91.1 | Very high | 65 Ų | 65 | 28 Ų | 28 | 67% | 0.67 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | 61.1 | -126.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | W257 T258 | G255-W257 PolarHBondContact O-N 3.18Å; G255-W257 VanDerWaalsContact O-N 3.14Å; G255-T258 PolarHBondContact O-N 2.02Å |
| 256 | H | 86.7 | Confident | 91.6 | Very high | 143 Ų | 143 | 28.1 Ų | 28.1 | 66% | 0.662 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -62 | -18.8 | 175.8 | -63.7 | -72.1 | 0 | 0 | 0 | 113.5 | M166 A254 | M166-H256 WeakPolarHBondContact CE-O 3.23Å; M166-H256 HydrophobicContact SD-CB 4.25Å; A254-H256 PolarHBondContact O-N 3.48Å |
| 257 | W | 90.5 | Very high | 92 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -99 | 13.6 | -179.4 | -63.8 | 94.1 | 0 | 0 | 0 | 113.4 | M166 T168 I222 G253 A254 G255 D259 F260 L302 M314 | M166-W257 HydrophobicContact CB-CH2 4.35Å; M166-W257 HydrophobicContact CE-CD2 3.79Å; M166-W257 HydrophobicContact CE-CE3 3.67Å; M166-W257 HydrophobicContact CE-CG 4.43Å; M166-W257 HydrophobicContact CE-CH2 4.2Å; M166-W257 HydrophobicContact CE-CZ2 4.26Å; M166-W257 HydrophobicContact CE-CZ3 3.89Å; M166-W257 VanDerWaalsContact O-CH2 3.23Å; M166-W257 WeakPolarHBondContact O-CH2 3.45Å; T168-W257 HydrophobicContact CG2-CH2 4.2Å; I222-W257 HydrophobicContact CB-CB 4.19Å; I222-W257 HydrophobicContact CB-CD2 3.66Å; I222-W257 HydrophobicContact CB-CE3 3.95Å; I222-W257 HydrophobicContact CB-CG 3.78Å; I222-W257 HydrophobicContact CG2-CD2 3.46Å; I222-W257 VanDerWaalsContact CG2-CD2 3.46Å; I222-W257 HydrophobicContact CG2-CE3 3.26Å; I222-W257 HydrophobicContact CG2-CG 4.13Å; I222-W257 HydrophobicContact CG2-CH2 3.81Å; I222-W257 HydrophobicContact CG2-CZ2 4.01Å; I222-W257 HydrophobicContact CG2-CZ3 3.45Å; I222-W257 VanDerWaalsContact CG2-CZ3 3.45Å; G253-W257 CarbonylContact C-O 3.48Å; G253-W257 VanDerWaalsContact CA-O 3.25Å; G253-W257 WeakPolarHBondContact CA-O 3.23Å; A254-W257 PolarHBondContact O-N 2.55Å; G255-W257 PolarHBondContact O-N 3.18Å; G255-W257 VanDerWaalsContact O-N 3.14Å; W257-D259 PolarHBondContact O-N 2.83Å; W257-F260 HydrophobicContact CB-CB 4.43Å; W257-F260 HydrophobicContact CB-CD2 4.47Å; W257-F260 HydrophobicContact CE3-CB 4.05Å; W257-F260 HydrophobicContact CE3-CD1 4Å; W257-F260 AromaticContact CE3-CD2 3.68Å; W257-F260 HydrophobicContact CE3-CD2 3.68Å; W257-F260 HydrophobicContact CE3-CE1 4.33Å; W257-F260 HydrophobicContact CE3-CE2 4.04Å; W257-F260 AromaticContact CE3-CG 3.64Å; W257-F260 HydrophobicContact CE3-CG 3.64Å; W257-F260 HydrophobicContact CE3-CZ 4.34Å; W257-F260 HydrophobicContact CZ3-CD1 4.1Å; W257-F260 HydrophobicContact CZ3-CD2 4.39Å; W257-F260 HydrophobicContact CZ3-CE1 4.12Å; W257-F260 HydrophobicContact CZ3-CE2 4.42Å; W257-F260 HydrophobicContact CZ3-CG 4.22Å; W257-F260 HydrophobicContact CZ3-CZ 4.28Å; W257-F260 WeakPolarHBondContact O-CB 3.26Å; W257-F260 PolarHBondContact O-N 2.81Å; W257-L302 HydrophobicContact CZ3-CD2 4.29Å; W257-M314 HydrophobicContact CH2-CE 3.56Å; W257-M314 HydrophobicContact CZ3-CE 3.47Å; W257-M314 VanDerWaalsContact CZ3-CE 3.47Å |
| 258 | T | 91.3 | Very high | 92.1 | Very high | 94 Ų | 94 | 32.4 Ų | 32.4 | 58% | 0.577 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.7 | -167.3 | -152.2 | 0 | 0 | 0 | 0 | 116 | G255 | G255-T258 PolarHBondContact O-N 2.02Š|
| 259 | D | 92.6 | Very high | 91.9 | Very high | 67 Ų | 67 | 34.2 Ų | 34.2 | 36% | 0.358 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -1.4 | 179.7 | -79 | -36.5 | 0 | 0 | 0 | 113 | W257 Y304 K305 | W257-D259 PolarHBondContact O-N 2.83Å; D259-Y304 HydrophobicContact CB-CD2 3.6Å; D259-Y304 HydrophobicContact CB-CE2 3.26Å; D259-Y304 CarbonylContact O-C 3.56Å; D259-Y304 WeakPolarHBondContact O-CA 3.28Å; D259-Y304 PolarHBondContact OD2-OH 3.14Å; D259-K305 HydrophobicContact CB-CG 3.93Å; D259-K305 PolarHBondContact O-N 2.91Å; D259-K305 WeakPolarHBondContact OD2-CE 3.25Å; D259-K305 IonicContact OD2-NZ 3.94Å |
| 260 | F | 94.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 150.9 | -174.6 | -71.6 | -97.2 | 0 | 0 | 0 | 112.7 | M166 I222 G253 W257 L302 R303 Y304 F311 M314 L322 | M166-F260 HydrophobicContact CE-CD2 4.25Å; M166-F260 HydrophobicContact CE-CE2 3.56Å; M166-F260 HydrophobicContact CE-CZ 4.06Å; I222-F260 HydrophobicContact CD1-CB 4.16Å; G253-F260 WeakPolarHBondContact CA-O 3.27Å; G253-F260 PolarHBondContact N-O 2.78Å; W257-F260 HydrophobicContact CB-CB 4.43Å; W257-F260 HydrophobicContact CB-CD2 4.47Å; W257-F260 HydrophobicContact CE3-CB 4.05Å; W257-F260 HydrophobicContact CE3-CD1 4Å; W257-F260 AromaticContact CE3-CD2 3.68Å; W257-F260 HydrophobicContact CE3-CD2 3.68Å; W257-F260 HydrophobicContact CE3-CE1 4.33Å; W257-F260 HydrophobicContact CE3-CE2 4.04Å; W257-F260 AromaticContact CE3-CG 3.64Å; W257-F260 HydrophobicContact CE3-CG 3.64Å; W257-F260 HydrophobicContact CE3-CZ 4.34Å; W257-F260 HydrophobicContact CZ3-CD1 4.1Å; W257-F260 HydrophobicContact CZ3-CD2 4.39Å; W257-F260 HydrophobicContact CZ3-CE1 4.12Å; W257-F260 HydrophobicContact CZ3-CE2 4.42Å; W257-F260 HydrophobicContact CZ3-CG 4.22Å; W257-F260 HydrophobicContact CZ3-CZ 4.28Å; W257-F260 WeakPolarHBondContact O-CB 3.26Å; W257-F260 PolarHBondContact O-N 2.81Å; F260-L302 HydrophobicContact CB-CD1 4.45Å; F260-L302 HydrophobicContact CD1-CD1 4.07Å; F260-L302 HydrophobicContact CD1-CD2 3.99Å; F260-L302 HydrophobicContact CD1-CG 3.88Å; F260-L302 HydrophobicContact CE1-CD2 4.13Å; F260-L302 HydrophobicContact CE1-CG 4.42Å; F260-R303 CarbonylContact C-O 3.55Å; F260-R303 VanDerWaalsContact CA-O 3.22Å; F260-R303 WeakPolarHBondContact CA-O 3.36Å; F260-Y304 HydrophobicContact CD1-CD2 4.28Å; F260-Y304 AromaticContact CD2-CD2 3.79Å; F260-Y304 HydrophobicContact CD2-CD2 3.79Å; F260-Y304 HydrophobicContact CD2-CE2 4.31Å; F260-Y304 AromaticContact CE1-CD2 3.98Å; F260-Y304 HydrophobicContact CE1-CD2 3.98Å; F260-Y304 HydrophobicContact CE1-CG 4.41Å; F260-Y304 AromaticContact CE2-CD2 3.43Å; F260-Y304 HydrophobicContact CE2-CD2 3.43Å; F260-Y304 VanDerWaalsContact CE2-CD2 3.43Å; F260-Y304 AromaticContact CE2-CE2 3.81Å; F260-Y304 HydrophobicContact CE2-CE2 3.81Å; F260-Y304 HydrophobicContact CG-CD2 4.21Å; F260-Y304 AromaticContact CZ-CD2 3.54Å; F260-Y304 HydrophobicContact CZ-CD2 3.54Å; F260-Y304 HydrophobicContact CZ-CE2 4.2Å; F260-Y304 HydrophobicContact CZ-CG 4.28Å; F260-F311 HydrophobicContact CD1-CE2 4.44Å; F260-F311 HydrophobicContact CD1-CZ 4.45Å; F260-F311 HydrophobicContact CE1-CD1 4.41Å; F260-F311 HydrophobicContact CE1-CD2 4.48Å; F260-F311 AromaticContact CE1-CE1 3.84Å; F260-F311 HydrophobicContact CE1-CE1 3.84Å; F260-F311 AromaticContact CE1-CE2 3.91Å; F260-F311 HydrophobicContact CE1-CE2 3.91Å; F260-F311 AromaticContact CE1-CZ 3.57Å; F260-F311 HydrophobicContact CE1-CZ 3.57Å; F260-F311 HydrophobicContact CZ-CE1 4.26Å; F260-F311 HydrophobicContact CZ-CZ 4.28Å; F260-M314 HydrophobicContact CE1-CE 4.02Å; F260-M314 HydrophobicContact CZ-CE 4.09Å; F260-L322 HydrophobicContact CE2-CD1 4.26Å; F260-L322 HydrophobicContact CZ-CD1 3.59Å |
| 261 | T | 94.2 | Very high | 90.6 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 14% | 0.135 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132.8 | 164.9 | 62.2 | 0 | 0 | 0 | 0 | 109.5 | F250 V251 L252 L302 R303 | F250-T261 HydrophobicContact CE2-CG2 4.12Å; F250-T261 HydrophobicContact CZ-CG2 3.88Å; V251-T261 WeakPolarHBondContact O-CA 2.99Å; L252-T261 HydrophobicContact CD1-CG2 3.94Å; T261-L302 WeakPolarHBondContact O-CA 3.42Å; T261-R303 PolarHBondContact N-O 2.74Å; T261-R303 PolarHBondContact O-N 3.04Å; T261-R303 WeakPolarHBondContact OG1-CB 3.26Å |
| 262 | A | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P221 I222 V251 E301 L302 | P221-A262 HydrophobicContact CG-CB 3.59Å; I222-A262 HydrophobicContact CD1-CB 3.87Å; I222-A262 HydrophobicContact CG1-CB 4.16Å; V251-A262 HydrophobicContact CB-CB 4.38Å; V251-A262 PolarHBondContact N-O 2.9Å; V251-A262 PolarHBondContact O-N 2.96Å; A262-E301 WeakPolarHBondContact CA-O 3.36Å; A262-L302 HydrophobicContact CB-CD1 3.96Å |
| 263 | H | 93.6 | Very high | 88.4 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122.2 | 172.4 | -54.5 | 71.8 | 0 | 0 | 0 | 108.3 | F230 I249 F250 Y265 E301 | F230-H263 HydrophobicContact CE1-CB 3.98Å; F230-H263 HydrophobicContact CE2-CB 4.49Å; F230-H263 HydrophobicContact CZ-CB 3.73Å; I249-H263 WeakPolarHBondContact O-CA 3.1Å; F250-H263 AromaticContact CD2-CD2 3.48Å; F250-H263 VanDerWaalsContact CD2-CD2 3.48Å; F250-H263 WeakPolarHBondContact CD2-CD2 3.48Å; F250-H263 AromaticContact CD2-CE1 3.77Å; F250-H263 AromaticContact CD2-CG 3.95Å; F250-H263 AromaticContact CD2-NE2 3.34Å; F250-H263 VanDerWaalsContact CD2-NE2 3.34Å; F250-H263 WeakPolarHBondContact CD2-NE2 3.41Å; F250-H263 AromaticContact CE2-CD2 3.95Å; F250-H263 AromaticContact CE2-CE1 3.46Å; F250-H263 VanDerWaalsContact CE2-CE1 3.46Å; F250-H263 WeakPolarHBondContact CE2-CE1 3.16Å; F250-H263 AromaticContact CE2-NE2 3.3Å; F250-H263 VanDerWaalsContact CE2-NE2 3.3Å; F250-H263 WeakPolarHBondContact CE2-NE2 3.29Å; H263-Y265 HydrophobicContact CB-CD2 4.43Å; H263-Y265 HydrophobicContact CB-CE2 3.68Å; H263-E301 HydrophobicContact CB-CB 4.19Å; H263-E301 IonicContact CE1-OE1 2.67Å; H263-E301 IonicContact CG-OE1 3.48Å; H263-E301 PolarHBondContact N-O 3.14Å; H263-E301 IonicContact ND1-OE1 3.09Å; H263-E301 PolarHBondContact O-N 2.9Å |
| 264 | I | 93.8 | Very high | 87 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 114.2 | 179.7 | -51.2 | 166.8 | 0 | 0 | 0 | 107.8 | I218 P221 G248 I249 A267 I284 I298 V300 | I218-I264 HydrophobicContact CG2-CD1 3.93Å; I218-I264 HydrophobicContact CG2-CG2 4.12Å; P221-I264 HydrophobicContact CG-CD1 4.29Å; G248-I264 CarbonylContact C-O 3.37Å; G248-I264 WeakPolarHBondContact CA-O 3.45Å; I249-I264 HydrophobicContact CB-CB 4.35Å; I249-I264 PolarHBondContact N-O 2.9Å; I249-I264 PolarHBondContact O-N 2.78Å; I264-A267 HydrophobicContact CG2-CB 3.9Å; I264-I284 HydrophobicContact CD1-CD1 3.52Å; I264-I298 HydrophobicContact CG2-CD1 4.31Å; I264-V300 HydrophobicContact CG2-CG2 4.4Å |
| 265 | Y | 91.7 | Very high | 86 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 156.9 | -176.6 | -56.8 | -104.2 | 0 | 0 | 0 | 110.3 | F191 F230 P232 H263 A267 F299 E301 | F191-Y265 HydrophobicContact CB-CD1 4.13Å; F191-Y265 HydrophobicContact CB-CE1 3.96Å; F191-Y265 HydrophobicContact CB-CG 4.48Å; F191-Y265 AromaticContact CD1-CD1 3.22Å; F191-Y265 HydrophobicContact CD1-CD1 3.22Å; F191-Y265 AromaticContact CD1-CE1 3.71Å; F191-Y265 HydrophobicContact CD1-CE1 3.71Å; F191-Y265 AromaticContact CD1-CG 3.84Å; F191-Y265 HydrophobicContact CD1-CG 3.84Å; F191-Y265 AromaticContact CE1-CD1 3.89Å; F191-Y265 HydrophobicContact CE1-CD1 3.89Å; F191-Y265 HydrophobicContact CE1-CG 4.39Å; F191-Y265 HydrophobicContact CG-CD1 4Å; F191-Y265 HydrophobicContact CG-CE1 4.29Å; F191-Y265 HydrophobicContact CG-CG 4.36Å; F191-Y265 PolarHBondContact O-OH 3.11Å; F230-Y265 AromaticContact CE2-CD1 3.92Å; F230-Y265 HydrophobicContact CE2-CD1 3.92Å; F230-Y265 AromaticContact CE2-CE1 3.4Å; F230-Y265 HydrophobicContact CE2-CE1 3.4Å; F230-Y265 AromaticContact CE2-CZ 3.79Å; F230-Y265 AromaticContact CZ-CD1 3.69Å; F230-Y265 HydrophobicContact CZ-CD1 3.69Å; F230-Y265 HydrophobicContact CZ-CD2 4.22Å; F230-Y265 AromaticContact CZ-CE1 3.49Å; F230-Y265 HydrophobicContact CZ-CE1 3.49Å; F230-Y265 VanDerWaalsContact CZ-CE1 3.49Å; F230-Y265 HydrophobicContact CZ-CE2 4.06Å; F230-Y265 HydrophobicContact CZ-CG 4.07Å; F230-Y265 AromaticContact CZ-CZ 3.68Å; P232-Y265 HydrophobicContact CB-CD1 4.01Å; P232-Y265 HydrophobicContact CB-CE1 3.74Å; P232-Y265 HydrophobicContact CG-CD1 3.33Å; P232-Y265 HydrophobicContact CG-CE1 3.45Å; P232-Y265 VanDerWaalsContact CG-CE1 3.45Å; H263-Y265 HydrophobicContact CB-CD2 4.43Å; H263-Y265 HydrophobicContact CB-CE2 3.68Å; Y265-A267 VanDerWaalsContact C-N 3.25Å; Y265-A267 PolarHBondContact O-N 2.96Å; Y265-F299 HydrophobicContact CD2-CB 4.24Å; Y265-F299 AromaticContact CD2-CD1 3.53Å; Y265-F299 HydrophobicContact CD2-CD1 3.53Å; Y265-F299 HydrophobicContact CD2-CE1 4.43Å; Y265-F299 HydrophobicContact CD2-CG 4.37Å; Y265-F299 WeakPolarHBondContact CD2-O 3.41Å; Y265-F299 AromaticContact CE2-CD1 3.75Å; Y265-F299 HydrophobicContact CE2-CD1 3.75Å; Y265-F299 HydrophobicContact CE2-CE1 4.21Å; Y265-F299 HydrophobicContact CG-CB 4.4Å; Y265-F299 HydrophobicContact CG-CD1 4.2Å; Y265-F299 PolarHBondContact N-O 3.4Å; Y265-F299 PolarHBondContact O-N 2.62Å; Y265-E301 HydrophobicContact CE2-CB 3.82Å; Y265-E301 PolarHBondContact OH-OE2 3.16Å |
| 266 | N | 90.9 | Very high | 85.8 | Confident | 17 Ų | 17 | 57.5 Ų | 57.5 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 60.4 | 35.9 | -174.6 | -160.6 | 34.5 | 0 | 0 | 0 | 112.5 | D247 L288 S295 K297 | D247-N266 PolarHBondContact O-N 2.93Å; N266-L288 PolarHBondContact O-N 2.83Å; N266-L288 WeakPolarHBondContact OD1-CB 3.31Å; N266-S295 PolarHBondContact ND2-O 2.78Å; N266-K297 PolarHBondContact ND2-O 3.02Å |
| 267 | A | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 140.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I218 D247 I249 I264 Y265 K286 | I218-A267 HydrophobicContact CG1-CB 4.12Å; D247-A267 CarbonylContact C-O 3.5Å; D247-A267 PolarHBondContact O-N 2.9Å; I249-A267 HydrophobicContact CD1-CB 3.83Å; I249-A267 HydrophobicContact CG1-CB 4.14Å; I264-A267 HydrophobicContact CG2-CB 3.9Å; Y265-A267 VanDerWaalsContact C-N 3.25Å; Y265-A267 PolarHBondContact O-N 2.96Å; A267-K286 WeakPolarHBondContact CA-O 3.11Å |
| 268 | K | 90.6 | Very high | 85.9 | Confident | 114 Ų | 114 | 54.6 Ų | 54.6 | 50% | 0.496 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.6 | 175.9 | -174 | 174.4 | 180 | 177.8 | 0 | 109.6 | G285 K286 L288 | K268-G285 CarbonylContact O-C 3.55Å; K268-G285 WeakPolarHBondContact O-CA 3.17Å; K268-K286 PolarHBondContact N-O 3.39Å; K268-K286 PolarHBondContact O-N 2.87Å; K268-L288 HydrophobicContact CB-CD2 3.63Å; K268-L288 HydrophobicContact CB-CG 4.05Å; K268-L288 HydrophobicContact CD-CD2 4.31Å; K268-L288 HydrophobicContact CG-CD2 4.48Å |
| 269 | F | 87.9 | Confident | 85.8 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 17% | 0.167 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 148.8 | 176.1 | 70.3 | -84.7 | 0 | 0 | 0 | 111.4 | F226 R229 I249 I271 L273 I284 | F226-F269 HydrophobicContact CE1-CB 4.44Å; F226-F269 HydrophobicContact CE1-CD2 4.12Å; F226-F269 HydrophobicContact CE1-CG 4.38Å; F226-F269 HydrophobicContact CE2-CB 3.7Å; F226-F269 HydrophobicContact CE2-CG 4.28Å; F226-F269 HydrophobicContact CZ-CB 3.38Å; F226-F269 HydrophobicContact CZ-CD1 4.22Å; F226-F269 AromaticContact CZ-CD2 3.7Å; F226-F269 HydrophobicContact CZ-CD2 3.7Å; F226-F269 AromaticContact CZ-CG 3.51Å; F226-F269 HydrophobicContact CZ-CG 3.51Å; R229-F269 HydrophobicContact CB-CD1 3.92Å; R229-F269 HydrophobicContact CB-CE1 3.74Å; R229-F269 HydrophobicContact CG-CE1 4.18Å; I249-F269 HydrophobicContact CD1-CB 4.25Å; I249-F269 HydrophobicContact CG1-CB 4.08Å; F269-I271 WeakPolarHBondContact CD2-O 3.44Å; F269-I271 WeakPolarHBondContact CE2-O 3.44Å; F269-L273 HydrophobicContact CE1-CD2 4.35Å; F269-L273 HydrophobicContact CE2-CD2 3.78Å; F269-L273 HydrophobicContact CE2-CG 3.93Å; F269-L273 HydrophobicContact CZ-CD1 4.44Å; F269-L273 HydrophobicContact CZ-CD2 3.57Å; F269-L273 HydrophobicContact CZ-CG 3.95Å; F269-I284 VanDerWaalsContact CA-O 3.28Å; F269-I284 WeakPolarHBondContact CA-O 3.03Å |
| 270 | T | 82.5 | Confident | 85.7 | Confident | 85 Ų | 85 | 52 Ų | 52 | 52% | 0.521 | 26% | 0.256 | S | S | . | . | trans | -118.8 | -0.6 | 175.7 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | I284 K286 | T270-I284 PolarHBondContact N-O 2.99Å; T270-I284 VanDerWaalsContact N-O 3.12Å; T270-K286 HydrophobicContact CG2-CG 4.23Å | ||
| 271 | I | 74.6 | Confident | 85.3 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -86.6 | 150.6 | 179.2 | -60.7 | 179.2 | 0 | 0 | 0 | 109.4 | F269 Q276 V278 I284 | F269-I271 WeakPolarHBondContact CD2-O 3.44Å; F269-I271 WeakPolarHBondContact CE2-O 3.44Å; I271-Q276 HydrophobicContact CG2-CB 4.47Å; I271-Q276 VanDerWaalsContact CG2-CD 3.43Å; I271-Q276 HydrophobicContact CG2-CG 4.33Å; I271-V278 HydrophobicContact CD1-CG1 3.98Å; I271-I284 HydrophobicContact CD1-CB 4.17Å; I271-I284 HydrophobicContact CD1-CG2 3.89Å |
| 272 | E | 72.5 | Confident | 85 | Confident | 157 Ų | 157 | 55 Ų | 55 | 73% | 0.734 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 144.4 | 174.5 | -65.1 | 178.9 | 169.3 | 0 | 0 | 111.7 | G274 Q276 | E272-G274 PolarHBondContact O-N 2.8Å; E272-Q276 PolarHBondContact O-NE2 2.92Å |
| 273 | L | 67.2 | Low | 84.8 | Confident | 127 Ų | 127 | 58.5 Ų | 58.5 | 67% | 0.665 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -64.9 | 131.5 | 177.9 | -73.1 | 167.2 | 0 | 0 | 0 | 110.4 | F269 | F269-L273 HydrophobicContact CE1-CD2 4.35Å; F269-L273 HydrophobicContact CE2-CD2 3.78Å; F269-L273 HydrophobicContact CE2-CG 3.93Å; F269-L273 HydrophobicContact CZ-CD1 4.44Å; F269-L273 HydrophobicContact CZ-CD2 3.57Å; F269-L273 HydrophobicContact CZ-CG 3.95Å |
| 274 | G | 64.9 | Low | 84.8 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 145.8 | 165.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | F226 E272 Q276 | F226-G274 VanDerWaalsContact O-O 3.07Å; E272-G274 PolarHBondContact O-N 2.8Å; G274-Q276 VanDerWaalsContact C-N 3.3Å; G274-Q276 PolarHBondContact O-N 2.02Å |
| 275 | R | 71 | Confident | 84.7 | Confident | 186 Ų | 186 | 57.5 Ų | 57.5 | 70% | 0.702 | 28% | 0.284 | S | S | * | . | trans | -71.9 | 87.2 | 177.2 | -171.5 | 178.6 | 176.3 | 174.2 | -1.5 | 109.4 | H225 L227 | H225-R275 HydrophobicContact CB-CG 4.02Å; H225-R275 PolarHBondContact CD2-NH2 2.89Å; H225-R275 PolarHBondContact NE2-NH2 3.07Å; L227-R275 HydrophobicContact CD2-CG 4.44Å | ||
| 276 | Q | 84.5 | Confident | 84.8 | Confident | 64 Ų | 64 | 61.2 Ų | 61.2 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.9 | 177.3 | -60.4 | -160 | 7.8 | 0 | 0 | 110.2 | H225 F226 I271 E272 G274 V278 | H225-Q276 CarbonylContact C-O 3.5Å; H225-Q276 VanDerWaalsContact CA-O 3.31Å; H225-Q276 WeakPolarHBondContact CA-O 3.41Å; F226-Q276 PolarHBondContact N-O 2.81Å; I271-Q276 HydrophobicContact CG2-CB 4.47Å; I271-Q276 VanDerWaalsContact CG2-CD 3.43Å; I271-Q276 HydrophobicContact CG2-CG 4.33Å; E272-Q276 PolarHBondContact O-NE2 2.92Å; G274-Q276 VanDerWaalsContact C-N 3.3Å; G274-Q276 PolarHBondContact O-N 2.02Å; Q276-V278 PolarHBondContact O-N 3.43Å |
| 277 | T | 90.3 | Very high | 84.9 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 124.8 | 170 | -56.3 | 0 | 0 | 0 | 0 | 108.6 | G224 | G224-T277 CarbonylContact O-C 3.42Å; G224-T277 WeakPolarHBondContact O-CA 3.37Å |
| 278 | V | 89.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 140.9 | 174.4 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | G224 F226 V251 I271 Q276 I284 | G224-V278 PolarHBondContact N-O 3.23Å; G224-V278 PolarHBondContact O-N 2.7Å; F226-V278 HydrophobicContact CB-CG1 3.8Å; V251-V278 HydrophobicContact CG1-CG2 3.76Å; V251-V278 HydrophobicContact CG2-CG2 4.47Å; I271-V278 HydrophobicContact CD1-CG1 3.98Å; Q276-V278 PolarHBondContact O-N 3.43Å; V278-I284 HydrophobicContact CB-CG2 4.3Å; V278-I284 HydrophobicContact CG1-CG2 4.02Å |
| 279 | R | 89 | Confident | 84.8 | Confident | 108 Ų | 108 | 60.5 Ų | 60.5 | 41% | 0.408 | 30% | 0.301 | S | S | . | . | trans | -93.6 | 146.4 | 171.1 | -62 | -60.7 | -177.2 | 174.4 | 1.4 | 110.4 | S14 S220 D223 G281 Q282 | S14-R279 PolarHBondContact OG-NE 3.47Å; S14-R279 VanDerWaalsContact OG-NE 3.14Å; S14-R279 PolarHBondContact OG-NH2 2.99Å; S220-R279 WeakPolarHBondContact CB-O 3.11Å; D223-R279 WeakPolarHBondContact OD1-CA 3.12Å; D223-R279 WeakPolarHBondContact OD1-CD 3.42Å; R279-G281 PolarHBondContact O-N 3.1Å; R279-Q282 HydrophobicContact CB-CB 4.49Å; R279-Q282 WeakPolarHBondContact O-CB 3.39Å; R279-Q282 PolarHBondContact O-N 2.85Å | ||
| 280 | Q | 88.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 135.6 | 166.9 | 179.3 | 170.1 | 55.1 | 0 | 0 | 109.8 | H17 C167 T168 S220 P221 I222 D223 Q282 | H17-Q280 HydrophobicContact CB-CG 4.31Å; H17-Q280 PolarHBondContact CD2-O 2.86Å; H17-Q280 PolarHBondContact O-OE1 2.88Å; C167-Q280 PolarHBondContact O-NE2 3.29Å; T168-Q280 VanDerWaalsContact C-NE2 3.31Å; T168-Q280 VanDerWaalsContact CA-NE2 3.28Å; T168-Q280 PolarHBondContact O-NE2 2.72Å; S220-Q280 CarbonylContact O-C 3.53Å; S220-Q280 WeakPolarHBondContact O-CA 3.48Å; P221-Q280 PolarHBondContact O-NE2 2.85Å; I222-Q280 PolarHBondContact O-N 2.77Å; D223-Q280 PolarHBondContact OD1-N 3.3Å; Q280-Q282 PolarHBondContact O-N 2.81Å |
| 281 | G | 87.1 | Confident | 84.7 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -10.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y219 S220 R279 | Y219-G281 WeakPolarHBondContact CD1-O 3.43Å; S220-G281 PolarHBondContact O-N 3.04Å; R279-G281 PolarHBondContact O-N 3.1Å |
| 282 | Q | 88.3 | Confident | 84.7 | Confident | 76 Ų | 76 | 65.8 Ų | 65.8 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -69.2 | 143.2 | 174.1 | -175 | 179.1 | -14.9 | 0 | 0 | 110.5 | Y219 S220 R279 Q280 I284 | Y219-Q282 CarbonylContact C-O 3.49Å; Y219-Q282 VanDerWaalsContact CA-O 3.25Å; Y219-Q282 WeakPolarHBondContact CA-O 3.38Å; S220-Q282 PolarHBondContact N-O 2.98Å; R279-Q282 HydrophobicContact CB-CB 4.49Å; R279-Q282 WeakPolarHBondContact O-CB 3.39Å; R279-Q282 PolarHBondContact O-N 2.85Å; Q280-Q282 PolarHBondContact O-N 2.81Å; Q282-I284 PolarHBondContact O-N 2.96Å |
| 283 | I | 90.2 | Very high | 85 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 38% | 0.379 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 119.4 | 172.8 | -60.9 | 170.2 | 0 | 0 | 0 | 109.1 | N217 Y219 | N217-I283 HydrophobicContact CB-CD1 4.45Å; N217-I283 HydrophobicContact CB-CG1 4.31Å; N217-I283 HydrophobicContact CB-CG2 4.18Å; Y219-I283 HydrophobicContact CD1-CG1 3.81Å; Y219-I283 HydrophobicContact CE1-CD1 4.36Å; Y219-I283 HydrophobicContact CE1-CG1 3.54Å |
| 284 | I | 92 | Very high | 85.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | -16.9 | 178.6 | 54.3 | 169.9 | 0 | 0 | 0 | 113 | I218 I249 V251 I264 F269 T270 I271 V278 Q282 | I218-I284 HydrophobicContact CG2-CD1 4.19Å; I218-I284 HydrophobicContact CG2-CG1 4.1Å; I218-I284 VanDerWaalsContact O-CG1 3.32Å; I218-I284 WeakPolarHBondContact O-CG1 3.23Å; I218-I284 PolarHBondContact O-N 3.05Å; I249-I284 HydrophobicContact CD1-CD1 4.33Å; I249-I284 HydrophobicContact CD1-CG1 4.28Å; I249-I284 HydrophobicContact CG2-CD1 3.83Å; V251-I284 HydrophobicContact CG2-CD1 4.38Å; I264-I284 HydrophobicContact CD1-CD1 3.52Å; F269-I284 VanDerWaalsContact CA-O 3.28Å; F269-I284 WeakPolarHBondContact CA-O 3.03Å; T270-I284 PolarHBondContact N-O 2.99Å; T270-I284 VanDerWaalsContact N-O 3.12Å; I271-I284 HydrophobicContact CD1-CB 4.17Å; I271-I284 HydrophobicContact CD1-CG2 3.89Å; V278-I284 HydrophobicContact CB-CG2 4.3Å; V278-I284 HydrophobicContact CG1-CG2 4.02Å; Q282-I284 PolarHBondContact O-N 2.96Å |
| 285 | G | 92.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | -162.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I218 K268 | I218-G285 PolarHBondContact N-O 3.31Å; I218-G285 PolarHBondContact O-N 2.9Å; K268-G285 CarbonylContact O-C 3.55Å; K268-G285 WeakPolarHBondContact O-CA 3.17Å |
| 286 | K | 93.7 | Very high | 87.6 | Confident | 86 Ų | 86 | 54.8 Ų | 54.8 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 152.1 | 173.8 | -66.9 | -171.8 | 176.4 | -176.1 | 0 | 110.6 | P216 N217 A267 K268 T270 L288 | P216-K286 WeakPolarHBondContact O-CA 3.36Å; N217-K286 WeakPolarHBondContact OD1-CE 3.27Å; A267-K286 WeakPolarHBondContact CA-O 3.11Å; K268-K286 PolarHBondContact N-O 3.39Å; K268-K286 PolarHBondContact O-N 2.87Å; T270-K286 HydrophobicContact CG2-CG 4.23Å; K286-L288 PolarHBondContact O-N 2.86Å |
| 287 | R | 93.9 | Very high | 88.1 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 137.6 | 168.9 | -174.6 | -175.7 | 64.1 | 78.3 | 1.9 | 109.1 | C199 N201 P216 I218 S295 I298 | C199-R287 WeakPolarHBondContact O-CD 3.36Å; C199-R287 PolarHBondContact O-NE 2.75Å; N201-R287 PolarHBondContact OD1-NH2 3.1Å; P216-R287 HydrophobicContact CG-CB 3.8Å; P216-R287 PolarHBondContact O-N 2.97Å; P216-R287 VanDerWaalsContact O-N 3.12Å; I218-R287 HydrophobicContact CD1-CB 4.34Å; R287-S295 PolarHBondContact NH1-O 2.95Å; R287-I298 HydrophobicContact CB-CG2 4.45Å; R287-I298 HydrophobicContact CG-CG2 3.98Å |
| 288 | L | 91.9 | Very high | 88.2 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | trans | -71.5 | 148.1 | 175.9 | -79.5 | 165.3 | 0 | 0 | 0 | 112 | C244 D247 N266 K268 K286 | C244-L288 WeakPolarHBondContact O-CD1 3.28Å; D247-L288 HydrophobicContact CB-CD1 3.7Å; N266-L288 PolarHBondContact O-N 2.83Å; N266-L288 WeakPolarHBondContact OD1-CB 3.31Å; K268-L288 HydrophobicContact CB-CD2 3.63Å; K268-L288 HydrophobicContact CB-CG 4.05Å; K268-L288 HydrophobicContact CD-CD2 4.31Å; K268-L288 HydrophobicContact CG-CD2 4.48Å; K286-L288 PolarHBondContact O-N 2.86Å | ||
| 289 | N | 88.8 | Confident | 88.3 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 51% | 0.508 | 26% | 0.264 | S | S | . | . | trans | -123.1 | 84 | 172.4 | -167.4 | 29 | 0 | 0 | 0 | 109.4 | L215 | L215-N289 HydrophobicContact CD1-CB 3.85Å; L215-N289 HydrophobicContact CD2-CB 3.67Å; L215-N289 HydrophobicContact CG-CB 4.36Å | ||
| 290 | C | 84.8 | Confident | 88.6 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | trans | -98.1 | 125.1 | -172.6 | -60.1 | 0 | 0 | 0 | 0 | 109.8 | C244 S245 D292 V293 P294 | C244-C290 HydrophobicContact CB-CB 3.65Å; C244-C290 WeakPolarHBondContact CB-SG 3.41Å; C244-C290 PolarHBondContact O-SG 2.86Å; C244-C290 VanDerWaalsContact O-SG 3.38Å; C244-C290 WeakPolarHBondContact SG-CA 3.5Å; C244-C290 WeakPolarHBondContact SG-CB 3.3Å; C244-C290 CovalentContact SG-SG 2.04Å; C244-C290 PolarHBondContact SG-SG 2.79Å; S245-C290 PolarHBondContact N-SG 2.85Å; C290-D292 VanDerWaalsContact C-N 3.26Å; C290-D292 VanDerWaalsContact CB-OD1 3.25Å; C290-D292 WeakPolarHBondContact CB-OD1 3.47Å; C290-D292 PolarHBondContact O-N 2.91Å; C290-V293 CarbonylContact O-C 3.5Å; C290-V293 PolarHBondContact O-N 2.84Å; C290-P294 WeakPolarHBondContact O-CA 3.49Å; C290-P294 VanDerWaalsContact O-N 3.17Å | ||
| 291 | L | 81.9 | Confident | 88.8 | Confident | 171 Ų | 171 | 45.6 Ų | 45.6 | 90% | 0.895 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -66.9 | -29.7 | 179.4 | -67.3 | 174.2 | 0 | 0 | 0 | 112.1 | V293 | L291-V293 VanDerWaalsContact C-N 3.34Š|
| 292 | D | 76.2 | Confident | 89.1 | Confident | 84 Ų | 84 | 45.3 Ų | 45.3 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -68.8 | -32.2 | 177.6 | 54.4 | -56.1 | 0 | 0 | 0 | 112.6 | S245 C290 | S245-D292 VanDerWaalsContact CB-OD2 3.31Å; S245-D292 WeakPolarHBondContact CB-OD2 3.25Å; S245-D292 PolarHBondContact OG-OD2 3.32Å; C290-D292 VanDerWaalsContact C-N 3.26Å; C290-D292 VanDerWaalsContact CB-OD1 3.25Å; C290-D292 WeakPolarHBondContact CB-OD1 3.47Å; C290-D292 PolarHBondContact O-N 2.91Å |
| 293 | V | 76.9 | Confident | 89.3 | Confident | 71 Ų | 71 | 44.8 Ų | 44.8 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -146 | 78.7 | -179.6 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | C290 L291 S295 | C290-V293 CarbonylContact O-C 3.5Å; C290-V293 PolarHBondContact O-N 2.84Å; L291-V293 VanDerWaalsContact C-N 3.34Å; V293-S295 PolarHBondContact O-N 2.86Å; V293-S295 VanDerWaalsContact O-N 3.14Å |
| 294 | P | 80.9 | Confident | 89.5 | Confident | 106 Ų | 106 | 43 Ų | 43 | 69% | 0.688 | 23% | 0.225 | S | C | * | . | trans | -64.1 | 118.5 | 176.4 | 25.5 | -32.5 | 0 | 0 | 0 | 109.1 | C290 | C290-P294 WeakPolarHBondContact O-CA 3.49Å; C290-P294 VanDerWaalsContact O-N 3.17Å | ||
| 295 | S | 86.8 | Confident | 89.5 | Confident | 34 Ų | 34 | 49 Ų | 49 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | trans | -143.8 | 123.1 | 179.2 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | N266 R287 V293 K297 | N266-S295 PolarHBondContact ND2-O 2.78Å; R287-S295 PolarHBondContact NH1-O 2.95Å; V293-S295 PolarHBondContact O-N 2.86Å; V293-S295 VanDerWaalsContact O-N 3.14Å; S295-K297 PolarHBondContact O-N 2.89Å; S295-K297 PolarHBondContact OG-N 2.86Å | ||
| 296 | D | 92.2 | Very high | 89.3 | Confident | 66 Ų | 66 | 51.5 Ų | 51.5 | 35% | 0.353 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -81.8 | 24.2 | 173.2 | 66.2 | -17 | 0 | 0 | 0 | 112.5 | H198 C199 | H198-D296 IonicContact CE1-OD2 3.95Å; H198-D296 PolarHBondContact CE1-OD2 2.86Å; H198-D296 IonicContact ND1-OD2 3.72Å; H198-D296 PolarHBondContact ND1-OD2 3.1Å; C199-D296 CarbonylContact C-O 3.58Å; C199-D296 VanDerWaalsContact CA-O 3.28Å; C199-D296 WeakPolarHBondContact CA-O 3.47Å; C199-D296 PolarHBondContact N-O 2.8Å |
| 297 | K | 93 | Very high | 89.1 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 23% | 0.226 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 158.6 | -173.1 | -42.8 | -177.4 | -171.9 | -169.5 | 0 | 110.9 | S181 E196 I197 N266 S295 | S181-K297 VanDerWaalsContact OG-CD 3.31Å; S181-K297 WeakPolarHBondContact OG-CD 3.43Å; S181-K297 WeakPolarHBondContact OG-CE 3.26Å; S181-K297 PolarHBondContact OG-NZ 2.87Å; E196-K297 HydrophobicContact CG-CB 3.94Å; E196-K297 HydrophobicContact CG-CD 3.68Å; E196-K297 HydrophobicContact CG-CG 4.44Å; E196-K297 WeakPolarHBondContact OE2-CD 3.13Å; E196-K297 IonicContact OE2-NZ 2.76Å; E196-K297 PolarHBondContact OE2-NZ 3.29Å; I197-K297 WeakPolarHBondContact O-CA 2.97Å; N266-K297 PolarHBondContact ND2-O 3.02Å; S295-K297 PolarHBondContact O-N 2.89Å; S295-K297 PolarHBondContact OG-N 2.86Å |
| 298 | I | 93.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 155 | 166.3 | 61.5 | 175.5 | 0 | 0 | 0 | 108.7 | I171 C172 E196 I197 C199 I218 I264 R287 V300 | I171-I298 HydrophobicContact CG2-CD1 3.76Å; C172-I298 HydrophobicContact CB-CD1 4.14Å; E196-I298 CarbonylContact C-O 3.44Å; E196-I298 WeakPolarHBondContact CA-O 3.46Å; I197-I298 HydrophobicContact CB-CG1 3.96Å; I197-I298 PolarHBondContact N-O 2.94Å; I197-I298 PolarHBondContact O-N 2.83Å; C199-I298 HydrophobicContact CB-CG1 4.35Å; C199-I298 HydrophobicContact CB-CG2 4.18Å; I218-I298 HydrophobicContact CD1-CD1 4.05Å; I218-I298 HydrophobicContact CD1-CG2 4.08Å; I264-I298 HydrophobicContact CG2-CD1 4.31Å; R287-I298 HydrophobicContact CB-CG2 4.45Å; R287-I298 HydrophobicContact CG-CG2 3.98Å; I298-V300 HydrophobicContact CD1-CG2 4.08Å; I298-V300 HydrophobicContact CG1-CG2 4.35Å |
| 299 | F | 93 | Very high | 88.6 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.3 | 168.7 | -173.5 | -96.8 | 0 | 0 | 0 | 108.5 | E186 K188 F191 G194 W195 E196 Y265 E301 | E186-F299 HydrophobicContact CG-CE2 4.36Å; K188-F299 HydrophobicContact CB-CE2 4.11Å; K188-F299 HydrophobicContact CB-CZ 4.19Å; K188-F299 HydrophobicContact CD-CD2 4.49Å; K188-F299 HydrophobicContact CD-CE2 4.5Å; K188-F299 HydrophobicContact CG-CD2 4.17Å; K188-F299 HydrophobicContact CG-CE2 3.72Å; K188-F299 HydrophobicContact CG-CZ 4.28Å; F191-F299 HydrophobicContact CB-CD1 3.7Å; F191-F299 HydrophobicContact CB-CE1 3.71Å; F191-F299 HydrophobicContact CB-CG 4.39Å; F191-F299 HydrophobicContact CB-CZ 4.41Å; F191-F299 HydrophobicContact CG-CD1 4.31Å; G194-F299 VanDerWaalsContact C-CE2 3.49Å; G194-F299 VanDerWaalsContact N-CZ 3.26Å; W195-F299 CarbonylContact O-C 3.56Å; W195-F299 WeakPolarHBondContact O-CA 3.29Å; E196-F299 HydrophobicContact CB-CD2 4.26Å; Y265-F299 HydrophobicContact CD2-CB 4.24Å; Y265-F299 AromaticContact CD2-CD1 3.53Å; Y265-F299 HydrophobicContact CD2-CD1 3.53Å; Y265-F299 HydrophobicContact CD2-CE1 4.43Å; Y265-F299 HydrophobicContact CD2-CG 4.37Å; Y265-F299 WeakPolarHBondContact CD2-O 3.41Å; Y265-F299 AromaticContact CE2-CD1 3.75Å; Y265-F299 HydrophobicContact CE2-CD1 3.75Å; Y265-F299 HydrophobicContact CE2-CE1 4.21Å; Y265-F299 HydrophobicContact CG-CB 4.4Å; Y265-F299 HydrophobicContact CG-CD1 4.2Å; Y265-F299 PolarHBondContact N-O 3.4Å; Y265-F299 PolarHBondContact O-N 2.62Å; F299-E301 HydrophobicContact CE1-CB 4.35Å |
| 300 | V | 94.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.9 | -179.8 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | I171 G194 W195 I197 I264 I298 L315 | I171-V300 HydrophobicContact CD1-CG1 4.03Å; I171-V300 HydrophobicContact CD1-CG2 4.04Å; I171-V300 HydrophobicContact CG2-CG2 4.12Å; G194-V300 CarbonylContact C-O 3.59Å; G194-V300 VanDerWaalsContact CA-O 3.25Å; G194-V300 WeakPolarHBondContact CA-O 3.06Å; W195-V300 PolarHBondContact N-O 3.36Å; W195-V300 PolarHBondContact O-N 2.64Å; I197-V300 HydrophobicContact CD1-CB 4.24Å; I197-V300 HydrophobicContact CD1-CG2 3.69Å; I264-V300 HydrophobicContact CG2-CG2 4.4Å; I298-V300 HydrophobicContact CD1-CG2 4.08Å; I298-V300 HydrophobicContact CG1-CG2 4.35Å; V300-L315 HydrophobicContact CG1-CD1 4.39Å |
| 301 | E | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.4 | 174.7 | 173 | -169.7 | 131.6 | 0 | 0 | 108.7 | A262 H263 Y265 F299 R303 F308 | A262-E301 WeakPolarHBondContact CA-O 3.36Å; H263-E301 HydrophobicContact CB-CB 4.19Å; H263-E301 IonicContact CE1-OE1 2.67Å; H263-E301 IonicContact CG-OE1 3.48Å; H263-E301 PolarHBondContact N-O 3.14Å; H263-E301 IonicContact ND1-OE1 3.09Å; H263-E301 PolarHBondContact O-N 2.9Å; Y265-E301 HydrophobicContact CE2-CB 3.82Å; Y265-E301 PolarHBondContact OH-OE2 3.16Å; F299-E301 HydrophobicContact CE1-CB 4.35Å; E301-R303 HydrophobicContact CG-CG 4.33Å; E301-R303 IonicContact OE1-CZ 2.71Å; E301-R303 IonicContact OE1-NE 2.68Å; E301-R303 PolarHBondContact OE1-NE 3.15Å; E301-R303 IonicContact OE1-NH2 3.64Å; E301-R303 PolarHBondContact OE1-NH2 3.18Å; E301-R303 IonicContact OE2-NH2 3.03Å; E301-F308 VanDerWaalsContact CD-CE1 3.42Å; E301-F308 HydrophobicContact CG-CD1 4.13Å; E301-F308 HydrophobicContact CG-CE1 3.95Å; E301-F308 WeakPolarHBondContact OE1-CE1 3.23Å |
| 302 | L | 93.2 | Very high | 89.2 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.3 | 176.5 | -169.1 | 69.7 | 0 | 0 | 0 | 107.9 | T168 W195 I222 W257 F260 T261 A262 F311 M314 | T168-L302 HydrophobicContact CG2-CD2 4.43Å; W195-L302 HydrophobicContact CZ3-CB 3.99Å; I222-L302 HydrophobicContact CD1-CD1 4.46Å; I222-L302 HydrophobicContact CG2-CD1 4.12Å; W257-L302 HydrophobicContact CZ3-CD2 4.29Å; F260-L302 HydrophobicContact CB-CD1 4.45Å; F260-L302 HydrophobicContact CD1-CD1 4.07Å; F260-L302 HydrophobicContact CD1-CD2 3.99Å; F260-L302 HydrophobicContact CD1-CG 3.88Å; F260-L302 HydrophobicContact CE1-CD2 4.13Å; F260-L302 HydrophobicContact CE1-CG 4.42Å; T261-L302 WeakPolarHBondContact O-CA 3.42Å; A262-L302 HydrophobicContact CB-CD1 3.96Å; L302-F311 HydrophobicContact CB-CD2 3.98Å; L302-F311 HydrophobicContact CD2-CB 3.99Å; L302-F311 HydrophobicContact CD2-CD2 3.66Å; L302-F311 HydrophobicContact CD2-CE2 4.33Å; L302-F311 HydrophobicContact CD2-CG 3.92Å; L302-F311 HydrophobicContact CG-CD2 3.9Å; L302-F311 HydrophobicContact CG-CE2 4.29Å; L302-M314 HydrophobicContact CD2-CE 4.32Å |
| 303 | R | 92.8 | Very high | 89.7 | Confident | 65 Ų | 65 | 50.7 Ų | 50.7 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 150.1 | 174.9 | -53.7 | -174.6 | -177.1 | 174.8 | 9.6 | 109.9 | F260 T261 E301 K307 F308 | F260-R303 CarbonylContact C-O 3.55Å; F260-R303 VanDerWaalsContact CA-O 3.22Å; F260-R303 WeakPolarHBondContact CA-O 3.36Å; T261-R303 PolarHBondContact N-O 2.74Å; T261-R303 PolarHBondContact O-N 3.04Å; T261-R303 WeakPolarHBondContact OG1-CB 3.26Å; E301-R303 HydrophobicContact CG-CG 4.33Å; E301-R303 IonicContact OE1-CZ 2.71Å; E301-R303 IonicContact OE1-NE 2.68Å; E301-R303 PolarHBondContact OE1-NE 3.15Å; E301-R303 IonicContact OE1-NH2 3.64Å; E301-R303 PolarHBondContact OE1-NH2 3.18Å; E301-R303 IonicContact OE2-NH2 3.03Å; R303-K307 VanDerWaalsContact CA-O 3.23Å; R303-K307 WeakPolarHBondContact CA-O 3.32Å; R303-K307 WeakPolarHBondContact CB-O 3.28Å; R303-F308 HydrophobicContact CG-CD1 4.44Å; R303-F308 VanDerWaalsContact NH2-CZ 3.35Å |
| 304 | Y | 92.6 | Very high | 90.2 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124.7 | 169.8 | 176.7 | -104.6 | 0 | 0 | 0 | 108.6 | D259 F260 G306 K307 M309 F311 F325 | D259-Y304 HydrophobicContact CB-CD2 3.6Å; D259-Y304 HydrophobicContact CB-CE2 3.26Å; D259-Y304 CarbonylContact O-C 3.56Å; D259-Y304 WeakPolarHBondContact O-CA 3.28Å; D259-Y304 PolarHBondContact OD2-OH 3.14Å; F260-Y304 HydrophobicContact CD1-CD2 4.28Å; F260-Y304 AromaticContact CD2-CD2 3.79Å; F260-Y304 HydrophobicContact CD2-CD2 3.79Å; F260-Y304 HydrophobicContact CD2-CE2 4.31Å; F260-Y304 AromaticContact CE1-CD2 3.98Å; F260-Y304 HydrophobicContact CE1-CD2 3.98Å; F260-Y304 HydrophobicContact CE1-CG 4.41Å; F260-Y304 AromaticContact CE2-CD2 3.43Å; F260-Y304 HydrophobicContact CE2-CD2 3.43Å; F260-Y304 VanDerWaalsContact CE2-CD2 3.43Å; F260-Y304 AromaticContact CE2-CE2 3.81Å; F260-Y304 HydrophobicContact CE2-CE2 3.81Å; F260-Y304 HydrophobicContact CG-CD2 4.21Å; F260-Y304 AromaticContact CZ-CD2 3.54Å; F260-Y304 HydrophobicContact CZ-CD2 3.54Å; F260-Y304 HydrophobicContact CZ-CE2 4.2Å; F260-Y304 HydrophobicContact CZ-CG 4.28Å; Y304-G306 PolarHBondContact O-N 2.9Å; Y304-K307 PolarHBondContact N-O 3.42Å; Y304-K307 VanDerWaalsContact N-O 3.08Å; Y304-K307 PolarHBondContact O-N 3.27Å; Y304-M309 HydrophobicContact CD1-SD 3.98Å; Y304-M309 HydrophobicContact CG-SD 4.38Å; Y304-F311 HydrophobicContact CG-CZ 4.45Å; Y304-F325 AromaticContact CD1-CD2 3.72Å; Y304-F325 HydrophobicContact CD1-CD2 3.72Å; Y304-F325 AromaticContact CD1-CE2 3.86Å; Y304-F325 HydrophobicContact CD1-CE2 3.86Å; Y304-F325 AromaticContact CE1-CD2 3.75Å; Y304-F325 HydrophobicContact CE1-CD2 3.75Å; Y304-F325 HydrophobicContact CE1-CE2 4.26Å; Y304-F325 HydrophobicContact CG-CE2 4.31Å |
| 305 | K | 92.2 | Very high | 90.6 | Very high | 127 Ų | 127 | 42.5 Ų | 42.5 | 55% | 0.552 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 40.5 | -173.3 | -61.1 | -179 | 174 | 168.3 | 0 | 112.5 | D259 K307 | D259-K305 HydrophobicContact CB-CG 3.93Å; D259-K305 PolarHBondContact O-N 2.91Å; D259-K305 WeakPolarHBondContact OD2-CE 3.25Å; D259-K305 IonicContact OD2-NZ 3.94Å; K305-K307 PolarHBondContact O-N 3.24Å |
| 306 | G | 89.7 | Confident | 90.5 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 53% | 0.526 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -1.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | Y304 | Y304-G306 PolarHBondContact O-N 2.9Š|
| 307 | K | 89.9 | Confident | 89.9 | Confident | 147 Ų | 147 | 39.7 Ų | 39.7 | 64% | 0.639 | 20% | 0.197 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 142.1 | -180 | -62.1 | -179.4 | -178.5 | 177.9 | 0 | 111.7 | R303 Y304 K305 M309 | R303-K307 VanDerWaalsContact CA-O 3.23Å; R303-K307 WeakPolarHBondContact CA-O 3.32Å; R303-K307 WeakPolarHBondContact CB-O 3.28Å; Y304-K307 PolarHBondContact N-O 3.42Å; Y304-K307 VanDerWaalsContact N-O 3.08Å; Y304-K307 PolarHBondContact O-N 3.27Å; K305-K307 PolarHBondContact O-N 3.24Å; K307-M309 HydrophobicContact CB-CG 4.43Å; K307-M309 PolarHBondContact O-N 3.45Å |
| 308 | F | 88.3 | Confident | 89.2 | Confident | 88 Ų | 88 | 40.5 Ų | 40.5 | 39% | 0.386 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 123.7 | 170.8 | -62.2 | -83.5 | 0 | 0 | 0 | 110.2 | Y185 K193 E301 R303 | Y185-F308 VanDerWaalsContact OH-C 3.29Å; K193-F308 HydrophobicContact CB-CB 4.23Å; K193-F308 HydrophobicContact CB-CD1 3.73Å; K193-F308 HydrophobicContact CB-CE1 4.27Å; K193-F308 HydrophobicContact CB-CG 4.07Å; E301-F308 VanDerWaalsContact CD-CE1 3.42Å; E301-F308 HydrophobicContact CG-CD1 4.13Å; E301-F308 HydrophobicContact CG-CE1 3.95Å; E301-F308 WeakPolarHBondContact OE1-CE1 3.23Å; R303-F308 HydrophobicContact CG-CD1 4.44Å; R303-F308 VanDerWaalsContact NH2-CZ 3.35Å |
| 309 | M | 86.4 | Confident | 88.4 | Confident | 37 Ų | 37 | 42.9 Ų | 42.9 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | trans | -136.9 | 154.6 | 178 | -36.3 | -164.7 | 75.5 | 0 | 0 | 111.7 | Y185 W195 Y304 K307 F311 F325 | Y185-M309 WeakPolarHBondContact CE2-O 3.41Å; Y185-M309 WeakPolarHBondContact OH-CA 3.3Å; Y185-M309 PolarHBondContact OH-N 2.88Å; Y185-M309 VanDerWaalsContact OH-N 3.15Å; Y185-M309 PolarHBondContact OH-O 3.33Å; W195-M309 WeakPolarHBondContact CH2-O 3.24Å; Y304-M309 HydrophobicContact CD1-SD 3.98Å; Y304-M309 HydrophobicContact CG-SD 4.38Å; K307-M309 HydrophobicContact CB-CG 4.43Å; K307-M309 PolarHBondContact O-N 3.45Å; M309-F311 HydrophobicContact CB-CD2 4.18Å; M309-F311 HydrophobicContact CB-CE1 4.24Å; M309-F311 HydrophobicContact CB-CE2 3.53Å; M309-F311 HydrophobicContact CB-CZ 3.55Å; M309-F311 HydrophobicContact CG-CE2 4.04Å; M309-F311 HydrophobicContact CG-CZ 3.92Å; M309-F311 WeakPolarHBondContact O-CD2 3.4Å; M309-F311 PolarHBondContact O-N 3.35Å; M309-F311 HydrophobicContact SD-CZ 3.98Å; M309-F325 HydrophobicContact CB-CZ 4.26Å; M309-F325 HydrophobicContact CE-CD1 3.17Å; M309-F325 HydrophobicContact CE-CD2 4.12Å; M309-F325 HydrophobicContact CE-CE1 3.01Å; M309-F325 HydrophobicContact CE-CE2 4Å; M309-F325 HydrophobicContact CE-CG 3.71Å; M309-F325 HydrophobicContact CE-CZ 3.43Å; M309-F325 VanDerWaalsContact CE-CZ 3.43Å; M309-F325 HydrophobicContact CG-CZ 4.43Å; M309-F325 HydrophobicContact SD-CD1 4.02Å; M309-F325 HydrophobicContact SD-CD2 3.91Å; M309-F325 HydrophobicContact SD-CE1 3.63Å; M309-F325 HydrophobicContact SD-CE2 3.5Å; M309-F325 VanDerWaalsContact SD-CE2 3.5Å; M309-F325 HydrophobicContact SD-CG 4.13Å; M309-F325 HydrophobicContact SD-CZ 3.3Å; M309-F325 WeakPolarHBondContact SD-CZ 3.48Å | ||
| 310 | N | 89.5 | Confident | 88 | Confident | 76 Ų | 76 | 42.6 Ų | 42.6 | 41% | 0.406 | 22% | 0.216 | S | C | . | . | trans | -85.8 | 90.1 | -177.6 | -170.4 | -9.3 | 0 | 0 | 0 | 111.2 | Y185 T312 L323 | Y185-N310 HydrophobicContact CD1-CB 3.58Å; Y185-N310 HydrophobicContact CE1-CB 3.58Å; Y185-N310 HydrophobicContact CG-CB 4.11Å; N310-T312 VanDerWaalsContact C-N 3.32Å; N310-T312 PolarHBondContact O-N 3.46Å; N310-T312 VanDerWaalsContact OD1-CB 3.29Å; N310-T312 WeakPolarHBondContact OD1-CB 3.25Å; N310-T312 PolarHBondContact OD1-N 2.87Å; N310-T312 VanDerWaalsContact OD1-N 3.16Å; N310-T312 PolarHBondContact OD1-OG1 3.44Å; N310-L323 WeakPolarHBondContact O-CD1 3.42Å | ||
| 311 | F | 89.8 | Confident | 87.6 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | trans | -91.3 | 29.3 | 175.6 | -59 | -65.9 | 0 | 0 | 0 | 114 | W195 F260 L302 Y304 M309 N313 M314 L315 L322 F325 | W195-F311 HydrophobicContact CH2-CB 3.83Å; W195-F311 HydrophobicContact CH2-CD2 4.28Å; W195-F311 HydrophobicContact CZ2-CB 4.24Å; F260-F311 HydrophobicContact CD1-CE2 4.44Å; F260-F311 HydrophobicContact CD1-CZ 4.45Å; F260-F311 HydrophobicContact CE1-CD1 4.41Å; F260-F311 HydrophobicContact CE1-CD2 4.48Å; F260-F311 AromaticContact CE1-CE1 3.84Å; F260-F311 HydrophobicContact CE1-CE1 3.84Å; F260-F311 AromaticContact CE1-CE2 3.91Å; F260-F311 HydrophobicContact CE1-CE2 3.91Å; F260-F311 AromaticContact CE1-CZ 3.57Å; F260-F311 HydrophobicContact CE1-CZ 3.57Å; F260-F311 HydrophobicContact CZ-CE1 4.26Å; F260-F311 HydrophobicContact CZ-CZ 4.28Å; L302-F311 HydrophobicContact CB-CD2 3.98Å; L302-F311 HydrophobicContact CD2-CB 3.99Å; L302-F311 HydrophobicContact CD2-CD2 3.66Å; L302-F311 HydrophobicContact CD2-CE2 4.33Å; L302-F311 HydrophobicContact CD2-CG 3.92Å; L302-F311 HydrophobicContact CG-CD2 3.9Å; L302-F311 HydrophobicContact CG-CE2 4.29Å; Y304-F311 HydrophobicContact CG-CZ 4.45Å; M309-F311 HydrophobicContact CB-CD2 4.18Å; M309-F311 HydrophobicContact CB-CE1 4.24Å; M309-F311 HydrophobicContact CB-CE2 3.53Å; M309-F311 HydrophobicContact CB-CZ 3.55Å; M309-F311 HydrophobicContact CG-CE2 4.04Å; M309-F311 HydrophobicContact CG-CZ 3.92Å; M309-F311 WeakPolarHBondContact O-CD2 3.4Å; M309-F311 PolarHBondContact O-N 3.35Å; M309-F311 HydrophobicContact SD-CZ 3.98Å; F311-N313 PolarHBondContact O-N 3Å; F311-M314 HydrophobicContact CB-CB 4.34Å; F311-M314 HydrophobicContact CB-CE 4.5Å; F311-M314 HydrophobicContact CB-SD 4.16Å; F311-M314 HydrophobicContact CD1-CE 3.99Å; F311-M314 HydrophobicContact CD1-SD 3.39Å; F311-M314 WeakPolarHBondContact CD1-SD 3.32Å; F311-M314 HydrophobicContact CE1-SD 4.1Å; F311-M314 HydrophobicContact CG-CE 4.38Å; F311-M314 HydrophobicContact CG-SD 4.12Å; F311-M314 PolarHBondContact O-N 2.89Å; F311-M314 VanDerWaalsContact O-N 3.1Å; F311-L315 PolarHBondContact O-N 3.06Å; F311-L322 HydrophobicContact CE1-CD1 4.41Å; F311-F325 AromaticContact CE1-CE2 3.86Å; F311-F325 HydrophobicContact CE1-CE2 3.86Å; F311-F325 AromaticContact CE1-CZ 3.56Å; F311-F325 HydrophobicContact CE1-CZ 3.56Å; F311-F325 HydrophobicContact CZ-CE2 4.09Å; F311-F325 AromaticContact CZ-CZ 3.91Å; F311-F325 HydrophobicContact CZ-CZ 3.91Å | ||
| 312 | T | 89.3 | Confident | 87.1 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.4 | -41.1 | -177 | -66.6 | 0 | 0 | 0 | 0 | 112.5 | M180 V184 W195 N310 M314 L315 L316 | M180-T312 HydrophobicContact CE-CG2 4.5Å; V184-T312 HydrophobicContact CG1-CG2 3.53Å; V184-T312 WeakPolarHBondContact CG1-OG1 3.42Å; W195-T312 PolarHBondContact NE1-OG1 2.82Å; N310-T312 VanDerWaalsContact C-N 3.32Å; N310-T312 PolarHBondContact O-N 3.46Å; N310-T312 VanDerWaalsContact OD1-CB 3.29Å; N310-T312 WeakPolarHBondContact OD1-CB 3.25Å; N310-T312 PolarHBondContact OD1-N 2.87Å; N310-T312 VanDerWaalsContact OD1-N 3.16Å; N310-T312 PolarHBondContact OD1-OG1 3.44Å; T312-M314 PolarHBondContact O-N 2.97Å; T312-L315 PolarHBondContact O-N 3.02Å; T312-L316 HydrophobicContact CG2-CD1 3.6Å; T312-L316 HydrophobicContact CG2-CG 4.08Å; T312-L316 WeakPolarHBondContact O-CB 3.31Å; T312-L316 WeakPolarHBondContact O-CG 3.43Å; T312-L316 PolarHBondContact O-N 3.2Å |
| 313 | N | 85.3 | Confident | 86.4 | Confident | 75 Ų | 75 | 51.2 Ų | 51.2 | 40% | 0.401 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.9 | -37.7 | -178.5 | -73.4 | -14.6 | 0 | 0 | 0 | 112.7 | F311 G317 N318 D319 | F311-N313 PolarHBondContact O-N 3Å; N313-G317 CarbonylContact O-C 3.47Å; N313-G317 VanDerWaalsContact O-CA 3.24Å; N313-G317 WeakPolarHBondContact O-CA 3.22Å; N313-G317 PolarHBondContact O-N 3.01Å; N313-N318 PolarHBondContact O-N 1.97Å; N313-D319 CarbonylContact C-O 3.53Å; N313-D319 HydrophobicContact CB-CB 4.29Å; N313-D319 WeakPolarHBondContact CB-O 3.35Å |
| 314 | M | 88.5 | Confident | 85.5 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.6 | -37.3 | 174.2 | -69 | 164.8 | 51.6 | 0 | 0 | 112 | M166 C167 T168 W257 F260 L302 F311 T312 L322 | M166-M314 HydrophobicContact CB-CE 3.92Å; M166-M314 HydrophobicContact CB-CG 4.48Å; M166-M314 HydrophobicContact CB-SD 4.33Å; M166-M314 VanDerWaalsContact O-CB 3.3Å; M166-M314 WeakPolarHBondContact O-CB 3.32Å; M166-M314 WeakPolarHBondContact O-CE 3.44Å; M166-M314 WeakPolarHBondContact O-CG 2.98Å; C167-M314 WeakPolarHBondContact CA-O 3.43Å; T168-M314 PolarHBondContact N-O 2.01Å; W257-M314 HydrophobicContact CH2-CE 3.56Å; W257-M314 HydrophobicContact CZ3-CE 3.47Å; W257-M314 VanDerWaalsContact CZ3-CE 3.47Å; F260-M314 HydrophobicContact CE1-CE 4.02Å; F260-M314 HydrophobicContact CZ-CE 4.09Å; L302-M314 HydrophobicContact CD2-CE 4.32Å; F311-M314 HydrophobicContact CB-CB 4.34Å; F311-M314 HydrophobicContact CB-CE 4.5Å; F311-M314 HydrophobicContact CB-SD 4.16Å; F311-M314 HydrophobicContact CD1-CE 3.99Å; F311-M314 HydrophobicContact CD1-SD 3.39Å; F311-M314 WeakPolarHBondContact CD1-SD 3.32Å; F311-M314 HydrophobicContact CE1-SD 4.1Å; F311-M314 HydrophobicContact CG-CE 4.38Å; F311-M314 HydrophobicContact CG-SD 4.12Å; F311-M314 PolarHBondContact O-N 2.89Å; F311-M314 VanDerWaalsContact O-N 3.1Å; T312-M314 PolarHBondContact O-N 2.97Å; M314-L322 HydrophobicContact SD-CD1 4.45Å |
| 315 | L | 88.5 | Confident | 84.2 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.9 | -46.1 | 179.4 | -163.4 | 85.3 | 0 | 0 | 0 | 111.9 | T168 I171 N178 M180 W195 I197 V300 F311 T312 | T168-L315 HydrophobicContact CG2-CD1 4.22Å; T168-L315 WeakPolarHBondContact OG1-CA 3.09Å; I171-L315 HydrophobicContact CD1-CD1 3.44Å; I171-L315 VanDerWaalsContact CD1-CD1 3.44Å; I171-L315 HydrophobicContact CD1-CG 4.39Å; N178-L315 HydrophobicContact CB-CG 4.46Å; N178-L315 PolarHBondContact ND2-O 2.7Å; M180-L315 HydrophobicContact CE-CD2 3.51Å; M180-L315 HydrophobicContact SD-CD2 4.44Å; W195-L315 HydrophobicContact CB-CD2 3.75Å; W195-L315 HydrophobicContact CD2-CD2 3.79Å; W195-L315 HydrophobicContact CE3-CD2 4.25Å; W195-L315 HydrophobicContact CG-CD2 3.53Å; I197-L315 HydrophobicContact CD1-CD2 3.93Å; I197-L315 HydrophobicContact CD1-CG 4.49Å; I197-L315 HydrophobicContact CG1-CD2 4.43Å; V300-L315 HydrophobicContact CG1-CD1 4.39Å; F311-L315 PolarHBondContact O-N 3.06Å; T312-L315 PolarHBondContact O-N 3.02Å |
| 316 | L | 84.9 | Confident | 82.4 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 19% | 0.194 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.3 | -38 | 176.5 | -66 | -179.9 | 0 | 0 | 0 | 109.5 | R151 M180 T312 | R151-L316 PolarHBondContact NH1-O 2.77Å; R151-L316 PolarHBondContact NH2-O 3.21Å; M180-L316 HydrophobicContact CE-CD1 4.43Å; M180-L316 HydrophobicContact CE-CD2 3.64Å; M180-L316 HydrophobicContact CE-CG 3.97Å; T312-L316 HydrophobicContact CG2-CD1 3.6Å; T312-L316 HydrophobicContact CG2-CG 4.08Å; T312-L316 WeakPolarHBondContact O-CB 3.31Å; T312-L316 WeakPolarHBondContact O-CG 3.43Å; T312-L316 PolarHBondContact O-N 3.2Å |
| 317 | G | 80.3 | Confident | 82 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 26 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y103 R151 H161 C167 N313 | Y103-G317 WeakPolarHBondContact OH-CA 3.15Å; Y103-G317 PolarHBondContact OH-O 2.95Å; R151-G317 PolarHBondContact NH1-O 3.06Å; H161-G317 PolarHBondContact NE2-O 3.31Å; C167-G317 VanDerWaalsContact SG-CA 3.5Å; N313-G317 CarbonylContact O-C 3.47Å; N313-G317 VanDerWaalsContact O-CA 3.24Å; N313-G317 WeakPolarHBondContact O-CA 3.22Å; N313-G317 PolarHBondContact O-N 3.01Å |
| 318 | N | 77.9 | Confident | 81.6 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -73.4 | -41.9 | 179.9 | -77.2 | -34.8 | 0 | 0 | 0 | 110 | R151 N313 | R151-N318 VanDerWaalsContact NH1-CA 3.34Å; R151-N318 VanDerWaalsContact NH1-CG 3.25Å; R151-N318 PolarHBondContact NH1-OD1 3.06Å; N313-N318 PolarHBondContact O-N 1.97Å |
| 319 | D | 76.1 | Confident | 81.3 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | trans | -149 | 112.6 | 179.4 | 179 | 3.2 | 0 | 0 | 0 | 105.8 | Y160 N313 K321 | Y160-D319 WeakPolarHBondContact CD2-OD1 3.48Å; N313-D319 CarbonylContact C-O 3.53Å; N313-D319 HydrophobicContact CB-CB 4.29Å; N313-D319 WeakPolarHBondContact CB-O 3.35Å; D319-K321 PolarHBondContact O-N 2.83Å; D319-K321 VanDerWaalsContact OD1-CB 3.23Å; D319-K321 WeakPolarHBondContact OD1-CB 2.96Å; D319-K321 PolarHBondContact OD1-N 2.66Å; D319-K321 VanDerWaalsContact OD1-N 3.13Å | ||
| 320 | C | 84.2 | Confident | 81 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -78.5 | 13.2 | -177.4 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | H161 C165 M166 C167 | H161-C320 PolarHBondContact CD2-SG 2.85Å; H161-C320 PolarHBondContact NE2-SG 3.09Å; C165-C320 HydrophobicContact CB-CB 4.28Å; M166-C320 WeakPolarHBondContact CB-O 3.37Å; M166-C320 PolarHBondContact N-O 2.88Å; C167-C320 HydrophobicContact CB-CB 3.94Å; C167-C320 WeakPolarHBondContact CB-SG 3.39Å; C167-C320 WeakPolarHBondContact SG-CA 3.29Å; C167-C320 WeakPolarHBondContact SG-CB 3.28Å; C167-C320 CovalentContact SG-SG 2.01Å; C167-C320 PolarHBondContact SG-SG 3.09Å | ||
| 321 | K | 86.3 | Confident | 80.4 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 132.7 | 178 | -176.4 | 179.3 | -175.3 | -173.2 | 0 | 111.9 | Y160 D319 L323 D324 | Y160-K321 HydrophobicContact CD1-CB 3.73Å; Y160-K321 HydrophobicContact CD1-CG 3.9Å; Y160-K321 HydrophobicContact CD2-CB 3.78Å; Y160-K321 HydrophobicContact CD2-CG 4.36Å; Y160-K321 HydrophobicContact CE1-CB 3.9Å; Y160-K321 HydrophobicContact CE1-CD 3.88Å; Y160-K321 HydrophobicContact CE1-CG 3.56Å; Y160-K321 HydrophobicContact CE2-CB 3.97Å; Y160-K321 HydrophobicContact CE2-CD 3.83Å; Y160-K321 HydrophobicContact CE2-CG 4.08Å; Y160-K321 HydrophobicContact CG-CB 3.66Å; Y160-K321 HydrophobicContact CG-CG 4.28Å; Y160-K321 VanDerWaalsContact CZ-CD 3.45Å; Y160-K321 WeakPolarHBondContact OH-CD 2.87Å; Y160-K321 WeakPolarHBondContact OH-CE 3.14Å; D319-K321 PolarHBondContact O-N 2.83Å; D319-K321 VanDerWaalsContact OD1-CB 3.23Å; D319-K321 WeakPolarHBondContact OD1-CB 2.96Å; D319-K321 PolarHBondContact OD1-N 2.66Å; D319-K321 VanDerWaalsContact OD1-N 3.13Å; K321-L323 PolarHBondContact O-N 2.67Å; K321-D324 WeakPolarHBondContact CE-OD2 3.46Å; K321-D324 IonicContact NZ-OD2 3.18Å; K321-D324 PolarHBondContact NZ-OD2 2.9Å |
| 322 | L | 82.9 | Confident | 79.8 | Confident | 56 Ų | 56 | 59.1 Ų | 59.1 | 29% | 0.293 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 122 | 160.6 | -175.5 | 60.5 | 0 | 0 | 0 | 109.3 | M166 F260 F311 M314 D324 F325 | M166-L322 HydrophobicContact CG-CB 4.21Å; F260-L322 HydrophobicContact CE2-CD1 4.26Å; F260-L322 HydrophobicContact CZ-CD1 3.59Å; F311-L322 HydrophobicContact CE1-CD1 4.41Å; M314-L322 HydrophobicContact SD-CD1 4.45Å; L322-D324 PolarHBondContact O-N 3.49Å; L322-F325 HydrophobicContact CD1-CE2 4.19Å |
| 323 | L | 79.8 | Confident | 79.1 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 133.4 | 176 | -68.6 | 170.3 | 0 | 0 | 0 | 110.3 | N310 K321 F325 | N310-L323 WeakPolarHBondContact O-CD1 3.42Å; K321-L323 PolarHBondContact O-N 2.67Å; L323-F325 HydrophobicContact CB-CD1 4.08Å; L323-F325 HydrophobicContact CB-CE1 3.32Å; L323-F325 HydrophobicContact CB-CE2 4.14Å; L323-F325 HydrophobicContact CB-CZ 3.4Å; L323-F325 VanDerWaalsContact CB-CZ 3.4Å; L323-F325 HydrophobicContact CD1-CE1 3.88Å; L323-F325 HydrophobicContact CD1-CZ 3.98Å; L323-F325 HydrophobicContact CG-CE1 4.26Å; L323-F325 HydrophobicContact CG-CZ 4.28Å; L323-F325 VanDerWaalsContact O-CD2 3.23Å; L323-F325 WeakPolarHBondContact O-CD2 3.19Å; L323-F325 WeakPolarHBondContact O-CE2 3.38Å; L323-F325 WeakPolarHBondContact O-CG 3.27Å; L323-F325 PolarHBondContact O-N 3.41Å |
| 324 | D | 72.6 | Confident | 78.6 | Confident | 112 Ų | 112 | 61.2 Ų | 61.2 | 60% | 0.599 | 30% | 0.303 | S | S | * | . | trans | -69.1 | 113.8 | 174.1 | -62.7 | -52 | 0 | 0 | 0 | 108.4 | K321 L322 | K321-D324 WeakPolarHBondContact CE-OD2 3.46Å; K321-D324 IonicContact NZ-OD2 3.18Å; K321-D324 PolarHBondContact NZ-OD2 2.9Å; L322-D324 PolarHBondContact O-N 3.49Å | ||
| 325 | F | 65.9 | Low | 77.8 | Confident | 72 Ų | 72 | 66 Ų | 66 | 32% | 0.316 | 33% | 0.327 | S | S | . | . | trans | -107.2 | 106.3 | 179.1 | -55.7 | -53.3 | 0 | 0 | 0 | 109.1 | Y304 M309 F311 L322 L323 | Y304-F325 AromaticContact CD1-CD2 3.72Å; Y304-F325 HydrophobicContact CD1-CD2 3.72Å; Y304-F325 AromaticContact CD1-CE2 3.86Å; Y304-F325 HydrophobicContact CD1-CE2 3.86Å; Y304-F325 AromaticContact CE1-CD2 3.75Å; Y304-F325 HydrophobicContact CE1-CD2 3.75Å; Y304-F325 HydrophobicContact CE1-CE2 4.26Å; Y304-F325 HydrophobicContact CG-CE2 4.31Å; M309-F325 HydrophobicContact CB-CZ 4.26Å; M309-F325 HydrophobicContact CE-CD1 3.17Å; M309-F325 HydrophobicContact CE-CD2 4.12Å; M309-F325 HydrophobicContact CE-CE1 3.01Å; M309-F325 HydrophobicContact CE-CE2 4Å; M309-F325 HydrophobicContact CE-CG 3.71Å; M309-F325 HydrophobicContact CE-CZ 3.43Å; M309-F325 VanDerWaalsContact CE-CZ 3.43Å; M309-F325 HydrophobicContact CG-CZ 4.43Å; M309-F325 HydrophobicContact SD-CD1 4.02Å; M309-F325 HydrophobicContact SD-CD2 3.91Å; M309-F325 HydrophobicContact SD-CE1 3.63Å; M309-F325 HydrophobicContact SD-CE2 3.5Å; M309-F325 VanDerWaalsContact SD-CE2 3.5Å; M309-F325 HydrophobicContact SD-CG 4.13Å; M309-F325 HydrophobicContact SD-CZ 3.3Å; M309-F325 WeakPolarHBondContact SD-CZ 3.48Å; F311-F325 AromaticContact CE1-CE2 3.86Å; F311-F325 HydrophobicContact CE1-CE2 3.86Å; F311-F325 AromaticContact CE1-CZ 3.56Å; F311-F325 HydrophobicContact CE1-CZ 3.56Å; F311-F325 HydrophobicContact CZ-CE2 4.09Å; F311-F325 AromaticContact CZ-CZ 3.91Å; F311-F325 HydrophobicContact CZ-CZ 3.91Å; L322-F325 HydrophobicContact CD1-CE2 4.19Å; L323-F325 HydrophobicContact CB-CD1 4.08Å; L323-F325 HydrophobicContact CB-CE1 3.32Å; L323-F325 HydrophobicContact CB-CE2 4.14Å; L323-F325 HydrophobicContact CB-CZ 3.4Å; L323-F325 VanDerWaalsContact CB-CZ 3.4Å; L323-F325 HydrophobicContact CD1-CE1 3.88Å; L323-F325 HydrophobicContact CD1-CZ 3.98Å; L323-F325 HydrophobicContact CG-CE1 4.26Å; L323-F325 HydrophobicContact CG-CZ 4.28Å; L323-F325 VanDerWaalsContact O-CD2 3.23Å; L323-F325 WeakPolarHBondContact O-CD2 3.19Å; L323-F325 WeakPolarHBondContact O-CE2 3.38Å; L323-F325 WeakPolarHBondContact O-CG 3.27Å; L323-F325 PolarHBondContact O-N 3.41Å | ||
| 326 | H | 54.6 | Low | 76.9 | Confident | 257 Ų | 257 | 71.7 Ų | 71.7 | 100% | 1.19 | 36% | 0.355 | S | S | * | . | trans | -83.9 | 0 | 170.7 | -66.2 | -57.5 | 0 | 0 | 0 | 111.9 |
Retrieved 326 of 326 residues in 211.5 ms
(Link to these results)