| 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 | 38.2 | Very low | 44.3 | Very low | 254 Ų | 254 | 165.9 Ų | 165.9 | 100% | 1.251 | 86% | 0.859 | S | S | * | * | 0 | 121 | 0 | -65.2 | -173.5 | -96 | 0 | 0 | 106.3 | |||||
| 2 | A | 42.4 | Very low | 44.9 | Very low | 96 Ų | 96 | 159.9 Ų | 159.9 | 79% | 0.793 | 85% | 0.852 | S | S | * | * | cis | -156.6 | 152.2 | 3.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3 | F | 43.9 | Very low | 45.1 | Very low | 202 Ų | 202 | 153.2 Ų | 153.2 | 89% | 0.886 | 85% | 0.845 | S | S | * | * | trans | -64.4 | 144.3 | 173.8 | -87.5 | -110.9 | 0 | 0 | 0 | 111.9 | ||||
| 4 | H | 44.8 | Very low | 45.8 | Very low | 188 Ų | 188 | 152.7 Ų | 152.7 | 87% | 0.87 | 84% | 0.839 | S | S | * | * | trans | -135.6 | 91.2 | 155.4 | -92.6 | 31.9 | 0 | 0 | 0 | 106.2 | ||||
| 5 | S | 43.8 | Very low | 46.2 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 78% | 0.783 | 83% | 0.833 | S | S | * | * | 68.6 | 91.8 | 81.4 | -160.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 6 | T | 49.4 | Very low | 46.3 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -64.4 | 144.9 | 166.8 | 38 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 7 | L | 42.3 | Very low | 46.2 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | trans | -155.4 | 98.2 | 149 | -156.2 | 72.3 | 0 | 0 | 0 | 111.2 | I9 | L7-I9 HydrophobicContact CD2-CD1 4.24Å; L7-I9 HydrophobicContact CD2-CG1 4.14Å; L7-I9 HydrophobicContact CG-CG1 4.21Å | ||
| 8 | F | 47.2 | Very low | 46.4 | Very low | 196 Ų | 196 | 150.8 Ų | 150.8 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -91.4 | 116.6 | 162.7 | -100.9 | -90.1 | 0 | 0 | 0 | 107.5 | ||||
| 9 | I | 47.7 | Very low | 46.7 | Very low | 136 Ų | 136 | 152.8 Ų | 152.8 | 70% | 0.697 | 83% | 0.831 | S | S | * | * | trans | -90 | 107.6 | 176.1 | -62.3 | 170.1 | 0 | 0 | 0 | 107.4 | L7 | L7-I9 HydrophobicContact CD2-CD1 4.24Å; L7-I9 HydrophobicContact CD2-CG1 4.14Å; L7-I9 HydrophobicContact CG-CG1 4.21Å | ||
| 10 | F | 43.5 | Very low | 47 | Very low | 195 Ų | 195 | 149.5 Ų | 149.5 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -87.7 | 113.1 | 166.6 | -96.6 | -90.4 | 0 | 0 | 0 | 108.8 | A12 | F10-A12 PolarHBondContact O-N 2.91Š| ||
| 11 | L | 44.1 | Very low | 47.2 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -89.9 | 96.5 | 173.3 | -155.1 | 81.2 | 0 | 0 | 0 | 108.4 | G13 | L11-G13 PolarHBondContact O-N 2.94Š| ||
| 12 | A | 50.9 | Low | 47.8 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -84 | 107 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | F10 L14 | F10-A12 PolarHBondContact O-N 2.91Å; A12-L14 PolarHBondContact O-N 3.41Å | ||
| 13 | G | 47.7 | Very low | 47.9 | Very low | 73 Ų | 73 | 141.2 Ų | 141.2 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -76.4 | 112.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L11 V15 | L11-G13 PolarHBondContact O-N 2.94Å; G13-V15 PolarHBondContact O-N 3.4Å | ||
| 14 | L | 55 | Low | 48.3 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -76.5 | 104.7 | 166.7 | -94.8 | 134.5 | 0 | 0 | 0 | 108.8 | A12 F16 | A12-L14 PolarHBondContact O-N 3.41Å; L14-F16 HydrophobicContact CB-CD2 4.47Å; L14-F16 HydrophobicContact CB-CE2 4.25Å; L14-F16 HydrophobicContact CD2-CE2 4.28Å; L14-F16 HydrophobicContact CD2-CZ 4.4Å; L14-F16 PolarHBondContact O-N 2.62Å | ||
| 15 | V | 52.3 | Low | 48.5 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | trans | -82 | 103.2 | 167.2 | 179.3 | 0 | 0 | 0 | 0 | 107.3 | G13 L17 | G13-V15 PolarHBondContact O-N 3.4Å; V15-L17 HydrophobicContact CG1-CG 4.37Å; V15-L17 PolarHBondContact O-N 3.28Å | ||
| 16 | F | 46.9 | Very low | 48.8 | Very low | 177 Ų | 177 | 129.8 Ų | 129.8 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -76.4 | 100.8 | 165.7 | -79.7 | -85.7 | 0 | 0 | 0 | 108.2 | L14 S18 | L14-F16 HydrophobicContact CB-CD2 4.47Å; L14-F16 HydrophobicContact CB-CE2 4.25Å; L14-F16 HydrophobicContact CD2-CE2 4.28Å; L14-F16 HydrophobicContact CD2-CZ 4.4Å; L14-F16 PolarHBondContact O-N 2.62Å; F16-S18 PolarHBondContact O-N 2.82Å; F16-S18 VanDerWaalsContact O-N 3.12Å | ||
| 17 | L | 45.8 | Very low | 48.8 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | trans | -70.6 | 100.2 | 163.2 | -81.4 | 153 | 0 | 0 | 0 | 107.1 | V15 E19 | V15-L17 HydrophobicContact CG1-CG 4.37Å; V15-L17 PolarHBondContact O-N 3.28Å; L17-E19 PolarHBondContact O-N 2.88Å; L17-E19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | S | 48.8 | Very low | 49.2 | Very low | 114 Ų | 114 | 121 Ų | 121 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | trans | -68.8 | 101.9 | 167.4 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | F16 A20 | F16-S18 PolarHBondContact O-N 2.82Å; F16-S18 VanDerWaalsContact O-N 3.12Å; S18-A20 PolarHBondContact O-N 3.41Å | ||
| 19 | E | 52.4 | Low | 49.4 | Very low | 190 Ų | 190 | 114.9 Ų | 114.9 | 89% | 0.888 | 69% | 0.692 | S | S | * | * | trans | -68 | 102.6 | 170.2 | -166.4 | 162.9 | 163.2 | 0 | 0 | 107.9 | L17 A21 | L17-E19 PolarHBondContact O-N 2.88Å; L17-E19 VanDerWaalsContact O-N 3.12Å; E19-A21 PolarHBondContact O-N 2.89Å | ||
| 20 | A | 53.5 | Low | 49.8 | Very low | 85 Ų | 85 | 112.7 Ų | 112.7 | 70% | 0.702 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 121 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | S18 | S18-A20 PolarHBondContact O-N 3.41Š|
| 21 | A | 50.1 | Low | 50.3 | Low | 86 Ų | 86 | 105.6 Ų | 105.6 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 144.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | E19 | E19-A21 PolarHBondContact O-N 2.89Š|
| 22 | P | 50.4 | Low | 51.4 | Low | 109 Ų | 109 | 106.2 Ų | 106.2 | 71% | 0.708 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146 | -178.3 | 22.9 | -32.1 | 0 | 0 | 0 | 110.8 | V24 | P22-V24 PolarHBondContact O-N 2.82Å; P22-V24 VanDerWaalsContact O-N 3.1Å |
| 23 | P | 46 | Very low | 53 | Low | 131 Ų | 131 | 102.2 Ų | 102.2 | 85% | 0.851 | 62% | 0.618 | S | S | * | * | trans | -63.6 | 115.5 | 177.8 | 26 | -31.8 | 0 | 0 | 0 | 109.1 | S25 | P23-S25 PolarHBondContact O-N 3.43Š| ||
| 24 | V | 52.6 | Low | 55.1 | Low | 99 Ų | 99 | 98.9 Ų | 98.9 | 60% | 0.6 | 58% | 0.583 | S | S | * | * | trans | -67.6 | 119.9 | 168.2 | -179.2 | 0 | 0 | 0 | 0 | 106.6 | P22 H26 | P22-V24 PolarHBondContact O-N 2.82Å; P22-V24 VanDerWaalsContact O-N 3.1Å; V24-H26 PolarHBondContact O-CD2 2.67Å; V24-H26 VanDerWaalsContact O-CD2 3.26Å; V24-H26 PolarHBondContact O-N 3.14Å; V24-H26 PolarHBondContact O-NE2 3.39Å | ||
| 25 | S | 48.1 | Very low | 57.1 | Low | 69 Ų | 69 | 91.9 Ų | 91.9 | 48% | 0.483 | 55% | 0.547 | S | S | . | . | trans | -71.6 | 102.7 | -178.4 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | P23 G27 S28 | P23-S25 PolarHBondContact O-N 3.43Å; S25-G27 PolarHBondContact O-N 3.21Å; S25-S28 VanDerWaalsContact CB-OG 3.23Å; S25-S28 WeakPolarHBondContact CB-OG 3.38Å; S25-S28 VanDerWaalsContact OG-CB 3.23Å; S25-S28 WeakPolarHBondContact OG-CB 3.23Å; S25-S28 PolarHBondContact OG-OG 2.98Å | ||
| 26 | H | 49.9 | Very low | 59.2 | Low | 94 Ų | 94 | 87 Ų | 87 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 121.5 | 179.6 | -59 | -60.3 | 0 | 0 | 0 | 110.6 | V24 S28 Y75 | V24-H26 PolarHBondContact O-CD2 2.67Å; V24-H26 VanDerWaalsContact O-CD2 3.26Å; V24-H26 PolarHBondContact O-N 3.14Å; V24-H26 PolarHBondContact O-NE2 3.39Å; H26-S28 VanDerWaalsContact C-N 3.34Å; H26-S28 PolarHBondContact O-N 2.85Å; H26-Y75 AromaticContact CE1-CD1 3.73Å; H26-Y75 AromaticContact CE1-CD2 3.45Å; H26-Y75 VanDerWaalsContact CE1-CD2 3.45Å; H26-Y75 WeakPolarHBondContact CE1-CD2 3.19Å; H26-Y75 AromaticContact CE1-CE1 3.4Å; H26-Y75 VanDerWaalsContact CE1-CE1 3.4Å; H26-Y75 WeakPolarHBondContact CE1-CE1 3.33Å; H26-Y75 AromaticContact CE1-CE2 3.13Å; H26-Y75 WeakPolarHBondContact CE1-CE2 3.19Å; H26-Y75 AromaticContact CE1-CG 3.74Å; H26-Y75 AromaticContact CE1-CZ 3.08Å; H26-Y75 AromaticContact ND1-CD1 3.67Å; H26-Y75 AromaticContact ND1-CD2 3.74Å; H26-Y75 AromaticContact ND1-CE1 3.79Å; H26-Y75 AromaticContact ND1-CE2 3.88Å; H26-Y75 AromaticContact ND1-CG 3.63Å; H26-Y75 AromaticContact ND1-CZ 3.89Å; H26-Y75 AromaticContact NE2-CE1 3.55Å; H26-Y75 AromaticContact NE2-CE2 3.85Å; H26-Y75 AromaticContact NE2-CZ 3.33Å; H26-Y75 VanDerWaalsContact NE2-CZ 3.33Å; H26-Y75 PolarHBondContact NE2-OH 3.27Å |
| 27 | G | 49 | Very low | 61.6 | Low | 55 Ų | 55 | 78.6 Ų | 78.6 | 57% | 0.567 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 6.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | S25 | S25-G27 PolarHBondContact O-N 3.21Š|
| 28 | S | 50.7 | Low | 64.1 | Low | 42 Ų | 42 | 73.9 Ų | 73.9 | 29% | 0.294 | 45% | 0.451 | S | S | . | . | trans | -76.9 | 135.8 | 160.4 | 60.7 | 0 | 0 | 0 | 0 | 109.1 | S25 H26 D30 | S25-S28 VanDerWaalsContact CB-OG 3.23Å; S25-S28 WeakPolarHBondContact CB-OG 3.38Å; S25-S28 VanDerWaalsContact OG-CB 3.23Å; S25-S28 WeakPolarHBondContact OG-CB 3.23Å; S25-S28 PolarHBondContact OG-OG 2.98Å; H26-S28 VanDerWaalsContact C-N 3.34Å; H26-S28 PolarHBondContact O-N 2.85Å; S28-D30 VanDerWaalsContact C-N 3.34Å; S28-D30 PolarHBondContact O-N 3.49Å | ||
| 29 | V | 52.4 | Low | 66.5 | Low | 69 Ų | 69 | 68.4 Ų | 68.4 | 42% | 0.418 | 41% | 0.414 | S | S | . | . | trans | -61.6 | 102.9 | 163.1 | -176.8 | 0 | 0 | 0 | 0 | 105.7 | S31 | V29-S31 PolarHBondContact O-N 3.31Å; V29-S31 VanDerWaalsContact O-N 3.09Å | ||
| 30 | D | 55 | Low | 68.7 | Low | 89 Ų | 89 | 62.7 Ų | 62.7 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | trans | -64.8 | 110.5 | 167.8 | -114 | -28.5 | 0 | 0 | 0 | 105.9 | S28 K32 C33 | S28-D30 VanDerWaalsContact C-N 3.34Å; S28-D30 PolarHBondContact O-N 3.49Å; D30-K32 PolarHBondContact O-N 2.99Å; D30-C33 HydrophobicContact CB-CB 4.36Å; D30-C33 PolarHBondContact O-N 3.44Å | ||
| 31 | S | 55 | Low | 70.9 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 33% | 0.329 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 11.4 | -174.3 | -53.2 | 0 | 0 | 0 | 0 | 114.5 | V29 H127 | V29-S31 PolarHBondContact O-N 3.31Å; V29-S31 VanDerWaalsContact O-N 3.09Å; S31-H127 VanDerWaalsContact C-CE1 3.49Å; S31-H127 PolarHBondContact O-CE1 2.89Å |
| 32 | K | 66.9 | Low | 73.2 | Confident | 177 Ų | 177 | 57 Ų | 57 | 77% | 0.77 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | -3.8 | 177.9 | -62.6 | -175.8 | 179.9 | -179.9 | 0 | 113.6 | D30 P34 | D30-K32 PolarHBondContact O-N 2.99Å; K32-P34 WeakPolarHBondContact O-CD 3.35Å |
| 33 | C | 83.6 | Confident | 75.5 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | trans | -104 | 92.1 | -175.4 | -179 | 0 | 0 | 0 | 0 | 110.2 | D30 L35 E80 | D30-C33 HydrophobicContact CB-CB 4.36Å; D30-C33 PolarHBondContact O-N 3.44Å; C33-L35 PolarHBondContact O-N 3.49Å; C33-L35 PolarHBondContact SG-O 3.41Å; C33-L35 VanDerWaalsContact SG-O 3.33Å; C33-E80 PolarHBondContact SG-N 3.17Å | ||
| 34 | P | 93.1 | Very high | 77.9 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -69.9 | -18.2 | -174 | 30.6 | -39.6 | 0 | 0 | 0 | 113.8 | K32 T82 E84 F87 Y128 | K32-P34 WeakPolarHBondContact O-CD 3.35Å; P34-T82 HydrophobicContact CG-CG2 3.95Å; P34-E84 HydrophobicContact CB-CG 4.21Å; P34-E84 HydrophobicContact CG-CG 4.12Å; P34-F87 HydrophobicContact CB-CB 4.46Å; P34-F87 HydrophobicContact CB-CD1 3.89Å; P34-F87 HydrophobicContact CG-CB 4.19Å; P34-F87 HydrophobicContact CG-CD1 4.42Å; P34-Y128 PolarHBondContact O-N 2.98Å |
| 35 | L | 96.3 | Very high | 80.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 111.8 | 173.6 | -179.5 | 63 | 0 | 0 | 0 | 110.6 | C33 V55 L81 T82 F87 V94 F118 Y128 I130 | C33-L35 PolarHBondContact O-N 3.49Å; C33-L35 PolarHBondContact SG-O 3.41Å; C33-L35 VanDerWaalsContact SG-O 3.33Å; L35-V55 HydrophobicContact CD2-CG1 4.03Å; L35-V55 HydrophobicContact CD2-CG2 4.27Å; L35-L81 HydrophobicContact CD2-CD1 4.39Å; L35-L81 HydrophobicContact CG-CD1 4.24Å; L35-T82 HydrophobicContact CB-CG2 3.93Å; L35-F87 HydrophobicContact CB-CZ 4.39Å; L35-F87 HydrophobicContact CD2-CE2 4.16Å; L35-V94 HydrophobicContact CD2-CG2 4.47Å; L35-F118 HydrophobicContact CD1-CZ 4.05Å; L35-Y128 WeakPolarHBondContact CA-O 3.32Å; L35-I130 HydrophobicContact CD1-CG1 3.99Å |
| 36 | M | 96.4 | Very high | 82.5 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 149.2 | 173.3 | -177 | -90.3 | -83.8 | 0 | 0 | 109.7 | K38 I78 Y128 T129 I130 | M36-K38 HydrophobicContact SD-CB 4.07Å; M36-I78 WeakPolarHBondContact CG-O 3.28Å; M36-Y128 PolarHBondContact N-O 3.36Å; M36-T129 HydrophobicContact CE-CG2 3.39Å; M36-T129 VanDerWaalsContact CE-OG1 3.31Å; M36-T129 WeakPolarHBondContact CE-OG1 3.38Å; M36-T129 WeakPolarHBondContact O-CA 3.4Å; M36-T129 HydrophobicContact SD-CG2 3.73Å; M36-I130 PolarHBondContact O-N 3.44Å |
| 37 | V | 98.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.2 | 169.9 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | V53 E77 I78 L81 V94 F96 I130 | V37-V53 HydrophobicContact CG2-CG2 4.35Å; V37-E77 VanDerWaalsContact O-CA 3.26Å; V37-E77 WeakPolarHBondContact O-CA 3.47Å; V37-I78 HydrophobicContact CG2-CB 3.69Å; V37-I78 HydrophobicContact CG2-CD1 3.73Å; V37-I78 HydrophobicContact CG2-CG1 3.61Å; V37-I78 PolarHBondContact N-O 3.13Å; V37-I78 PolarHBondContact O-N 2.84Å; V37-L81 HydrophobicContact CG1-CD1 3.78Å; V37-L81 HydrophobicContact CG2-CD1 4.27Å; V37-V94 HydrophobicContact CG1-CG1 3.98Å; V37-F96 HydrophobicContact CB-CE1 3.95Å; V37-F96 HydrophobicContact CB-CZ 4.21Å; V37-F96 HydrophobicContact CG1-CE1 4.18Å; V37-F96 HydrophobicContact CG1-CZ 4.12Å; V37-F96 HydrophobicContact CG2-CE1 4.29Å; V37-I130 CarbonylContact C-O 3.59Å; V37-I130 VanDerWaalsContact CA-O 3.27Å; V37-I130 WeakPolarHBondContact CA-O 3.4Å; V37-I130 HydrophobicContact CG1-CB 4.31Å |
| 38 | K | 98.4 | Very high | 87.2 | Confident | 62 Ų | 62 | 47.9 Ų | 47.9 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 126.8 | 174.9 | -173.3 | 161.3 | -172.3 | 143.3 | 0 | 110.9 | M36 G76 E77 I130 A131 A132 | M36-K38 HydrophobicContact SD-CB 4.07Å; K38-G76 CarbonylContact C-O 3.52Å; K38-G76 WeakPolarHBondContact CA-O 3.23Å; K38-E77 HydrophobicContact CB-CG 4.37Å; K38-E77 HydrophobicContact CD-CG 4.16Å; K38-E77 WeakPolarHBondContact CE-OE1 3.43Å; K38-E77 HydrophobicContact CG-CG 4.06Å; K38-E77 IonicContact NZ-OE1 2.79Å; K38-E77 PolarHBondContact NZ-OE1 3Å; K38-I130 PolarHBondContact N-O 2.9Å; K38-A131 CarbonylContact O-C 3.38Å; K38-A131 WeakPolarHBondContact O-CA 3.34Å; K38-A132 PolarHBondContact O-N 2.67Å |
| 39 | V | 98.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.5 | -175 | -164.5 | 0 | 0 | 0 | 0 | 110 | A48 V51 T72 G76 F96 A132 L134 | V39-A48 HydrophobicContact CB-CB 4.03Å; V39-A48 HydrophobicContact CG1-CB 3.65Å; V39-A48 PolarHBondContact O-N 2.98Å; V39-V51 HydrophobicContact CG1-CG2 4.36Å; V39-T72 HydrophobicContact CB-CG2 4.2Å; V39-T72 HydrophobicContact CG2-CG2 3.7Å; V39-G76 PolarHBondContact N-O 2.84Å; V39-F96 HydrophobicContact CG2-CD1 3.71Å; V39-F96 HydrophobicContact CG2-CE1 3.58Å; V39-A132 CarbonylContact C-O 3.51Å; V39-A132 WeakPolarHBondContact CA-O 3.46Å; V39-A132 HydrophobicContact CG1-CB 4.31Å; V39-L134 HydrophobicContact CG1-CD1 3.47Å; V39-L134 VanDerWaalsContact CG1-CD1 3.47Å; V39-L134 HydrophobicContact CG1-CD2 4.41Å; V39-L134 HydrophobicContact CG1-CG 3.74Å |
| 40 | L | 98.9 | Very high | 91.7 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 147.6 | 179.3 | -61.6 | 179.7 | 0 | 0 | 0 | 110.5 | P47 A132 L133 L134 | L40-P47 HydrophobicContact CD2-CB 4.36Å; L40-P47 HydrophobicContact CD2-CG 4.46Å; L40-A132 PolarHBondContact N-O 2.76Å; L40-L133 HydrophobicContact CB-CD1 3.62Å; L40-L134 PolarHBondContact O-N 3.29Å |
| 41 | D | 98.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.011 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 112 | 176 | -176.4 | -36.1 | 0 | 0 | 0 | 109.6 | V43 R44 G45 S46 A48 Y101 W102 | D41-V43 VanDerWaalsContact C-N 3.32Å; D41-V43 WeakPolarHBondContact OD1-CA 3.41Å; D41-V43 WeakPolarHBondContact OD1-CB 3.14Å; D41-V43 PolarHBondContact OD1-N 2.79Å; D41-R44 HydrophobicContact CB-CB 4.49Å; D41-R44 PolarHBondContact OD1-N 2.81Å; D41-R44 IonicContact OD2-CZ 3.55Å; D41-R44 IonicContact OD2-NE 3.8Å; D41-R44 PolarHBondContact OD2-NE 2.88Å; D41-R44 IonicContact OD2-NH2 3.53Å; D41-G45 WeakPolarHBondContact O-CA 3.48Å; D41-G45 PolarHBondContact O-N 2.68Å; D41-S46 WeakPolarHBondContact CB-O 3.11Å; D41-S46 PolarHBondContact N-O 3.43Å; D41-S46 PolarHBondContact O-N 3.49Å; D41-A48 HydrophobicContact CB-CB 4.33Å; D41-Y101 WeakPolarHBondContact CB-OH 3.41Å; D41-Y101 PolarHBondContact OD2-OH 3.44Å; D41-W102 WeakPolarHBondContact OD1-CH2 3.26Å; D41-W102 WeakPolarHBondContact OD2-CH2 3.46Å; D41-W102 WeakPolarHBondContact OD2-CZ3 3.47Å |
| 42 | A | 98.7 | Very high | 95.8 | Very high | 49 Ų | 49 | 44.9 Ų | 44.9 | 41% | 0.405 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -19.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L133 L134 | A42-L133 HydrophobicContact CB-CD1 3.8Å; A42-L133 HydrophobicContact CB-CD2 4.44Å; A42-L133 HydrophobicContact CB-CG 4.02Å; A42-L134 WeakPolarHBondContact CB-O 3.4Å; A42-L134 PolarHBondContact N-O 3.26Å |
| 43 | V | 98.4 | Very high | 97.4 | Very high | 84 Ų | 84 | 36.5 Ų | 36.5 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -44.1 | 178.4 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | D41 W102 P136 | D41-V43 VanDerWaalsContact C-N 3.32Å; D41-V43 WeakPolarHBondContact OD1-CA 3.41Å; D41-V43 WeakPolarHBondContact OD1-CB 3.14Å; D41-V43 PolarHBondContact OD1-N 2.79Å; V43-W102 HydrophobicContact CB-CH2 4.32Å; V43-W102 HydrophobicContact CB-CZ3 4.5Å; V43-W102 HydrophobicContact CG2-CH2 3.94Å; V43-W102 HydrophobicContact CG2-CZ3 4.33Å; V43-P136 VanDerWaalsContact CG2-CD 3.5Å; V43-P136 HydrophobicContact CG2-CG 4.23Å |
| 44 | R | 97.9 | Very high | 98.1 | Very high | 122 Ų | 122 | 41 Ų | 41 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -14.1 | -177.7 | -60.1 | -173.2 | -62.7 | 154.6 | 11.3 | 113.3 | D41 S46 Y101 | D41-R44 HydrophobicContact CB-CB 4.49Å; D41-R44 PolarHBondContact OD1-N 2.81Å; D41-R44 IonicContact OD2-CZ 3.55Å; D41-R44 IonicContact OD2-NE 3.8Å; D41-R44 PolarHBondContact OD2-NE 2.88Å; D41-R44 IonicContact OD2-NH2 3.53Å; R44-S46 VanDerWaalsContact C-N 3.32Å; R44-Y101 PolarHBondContact NH2-OH 2.83Å |
| 45 | G | 98.2 | Very high | 98.3 | Very high | 72 Ų | 72 | 40.8 Ų | 40.8 | 74% | 0.742 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 34.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D41 | D41-G45 WeakPolarHBondContact O-CA 3.48Å; D41-G45 PolarHBondContact O-N 2.68Å |
| 46 | S | 98.3 | Very high | 98.5 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 168.2 | -173.6 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | D41 R44 | D41-S46 WeakPolarHBondContact CB-O 3.11Å; D41-S46 PolarHBondContact N-O 3.43Å; D41-S46 PolarHBondContact O-N 3.49Å; R44-S46 VanDerWaalsContact C-N 3.32Å |
| 47 | P | 98.8 | Very high | 98.6 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 32% | 0.318 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 147.7 | 164.6 | -19.8 | 32.3 | 0 | 0 | 0 | 112.2 | L40 A49 Y75 | L40-P47 HydrophobicContact CD2-CB 4.36Å; L40-P47 HydrophobicContact CD2-CG 4.46Å; P47-A49 PolarHBondContact O-N 2.85Å; P47-Y75 WeakPolarHBondContact CB-O 3.33Å |
| 48 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -93.2 | 92.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V39 D41 V51 T72 Y101 | V39-A48 HydrophobicContact CB-CB 4.03Å; V39-A48 HydrophobicContact CG1-CB 3.65Å; V39-A48 PolarHBondContact O-N 2.98Å; D41-A48 HydrophobicContact CB-CB 4.33Å; A48-V51 HydrophobicContact CB-CG2 3.81Å; A48-V51 WeakPolarHBondContact O-CG2 3.38Å; A48-T72 WeakPolarHBondContact O-CB 3.45Å; A48-T72 PolarHBondContact O-OG1 2.89Å; A48-Y101 HydrophobicContact CB-CE1 4.34Å; A48-Y101 HydrophobicContact CB-CE2 3.88Å | ||
| 49 | A | 98.5 | Very high | 98.6 | Very high | 30 Ų | 30 | 46 Ų | 46 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 155 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P47 V51 T73 | P47-A49 PolarHBondContact O-N 2.85Å; A49-V51 PolarHBondContact O-N 2.84Å; A49-T73 VanDerWaalsContact CA-O 3.29Å; A49-T73 WeakPolarHBondContact CA-O 3.25Å; A49-T73 WeakPolarHBondContact CB-O 3.33Å |
| 50 | N | 98.4 | Very high | 98.4 | Very high | 123 Ų | 123 | 51.6 Ų | 51.6 | 66% | 0.658 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 21.4 | 177.1 | -66 | -49.5 | 0 | 0 | 0 | 115.6 | A52 T72 | N50-A52 PolarHBondContact O-N 2.92Å; N50-T72 WeakPolarHBondContact CA-O 3.26Å; N50-T72 PolarHBondContact N-O 2.89Å; N50-T72 PolarHBondContact N-OG1 3.4Å; N50-T72 VanDerWaalsContact N-OG1 3.12Å |
| 51 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | -71.5 | 121.4 | 171 | -179.5 | 0 | 0 | 0 | 0 | 108 | V39 A48 A49 K71 T72 F96 Y101 | V39-V51 HydrophobicContact CG1-CG2 4.36Å; A48-V51 HydrophobicContact CB-CG2 3.81Å; A48-V51 WeakPolarHBondContact O-CG2 3.38Å; A49-V51 PolarHBondContact O-N 2.84Å; V51-K71 VanDerWaalsContact O-CA 3.28Å; V51-K71 WeakPolarHBondContact O-CA 3.3Å; V51-T72 HydrophobicContact CB-CG2 4.1Å; V51-T72 WeakPolarHBondContact CB-OG1 3.35Å; V51-T72 PolarHBondContact N-OG1 2.99Å; V51-T72 PolarHBondContact O-N 2.77Å; V51-F96 HydrophobicContact CG1-CB 4.28Å; V51-Y101 HydrophobicContact CG2-CD2 3.44Å; V51-Y101 VanDerWaalsContact CG2-CD2 3.44Å; V51-Y101 HydrophobicContact CG2-CE2 3.87Å; V51-Y101 HydrophobicContact CG2-CG 3.83Å | ||
| 52 | A | 98.8 | Very high | 98.3 | Very high | 30 Ų | 30 | 56 Ų | 56 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 136.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | N50 K71 D97 | N50-A52 PolarHBondContact O-N 2.92Å; A52-K71 HydrophobicContact CB-CG 4.33Å; A52-D97 HydrophobicContact CB-CB 4.01Å; A52-D97 PolarHBondContact O-N 2.65Å |
| 53 | V | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.4 | -179.4 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | V37 V69 G70 I78 V94 E95 F96 | V37-V53 HydrophobicContact CG2-CG2 4.35Å; V53-V69 CarbonylContact O-C 3.55Å; V53-V69 WeakPolarHBondContact O-CA 3.17Å; V53-G70 PolarHBondContact N-O 2.75Å; V53-G70 PolarHBondContact O-N 3.09Å; V53-I78 HydrophobicContact CB-CD1 3.68Å; V53-I78 HydrophobicContact CG1-CD1 4.45Å; V53-I78 HydrophobicContact CG2-CD1 3.62Å; V53-V94 HydrophobicContact CG1-CG1 3.66Å; V53-E95 CarbonylContact C-O 3.59Å; V53-E95 VanDerWaalsContact CA-O 3.27Å; V53-E95 WeakPolarHBondContact CA-O 3.48Å; V53-F96 HydrophobicContact CG1-CE1 4.48Å; V53-F96 HydrophobicContact CG2-CD1 3.57Å; V53-F96 HydrophobicContact CG2-CE1 3.94Å; V53-F96 HydrophobicContact CG2-CG 4.48Å |
| 54 | K | 98.8 | Very high | 98.3 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 44% | 0.443 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 137.1 | 170.5 | -61.9 | -179.7 | -176.5 | 169.9 | 0 | 109.2 | F56 V69 E95 | K54-F56 HydrophobicContact CB-CE2 3.72Å; K54-F56 HydrophobicContact CB-CZ 3.87Å; K54-F56 HydrophobicContact CD-CZ 4Å; K54-V69 HydrophobicContact CG-CG1 4.16Å; K54-E95 PolarHBondContact N-O 3.12Å; K54-E95 PolarHBondContact O-N 3.28Å |
| 55 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134.5 | 173.5 | -169.4 | 0 | 0 | 0 | 0 | 107.7 | L35 F67 A68 L81 Y92 R93 V94 | L35-V55 HydrophobicContact CD2-CG1 4.03Å; L35-V55 HydrophobicContact CD2-CG2 4.27Å; V55-F67 HydrophobicContact CB-CB 4.45Å; V55-F67 HydrophobicContact CB-CD1 4.11Å; V55-F67 HydrophobicContact CG1-CB 4.35Å; V55-F67 HydrophobicContact CG1-CD1 3.7Å; V55-F67 HydrophobicContact CG1-CG 4.43Å; V55-F67 WeakPolarHBondContact O-CA 3.42Å; V55-F67 WeakPolarHBondContact O-CB 3.17Å; V55-F67 PolarHBondContact O-N 2.99Å; V55-A68 HydrophobicContact CB-CB 4.05Å; V55-A68 HydrophobicContact CG2-CB 4.17Å; V55-A68 PolarHBondContact N-O 2.79Å; V55-A68 PolarHBondContact O-N 2.87Å; V55-A68 VanDerWaalsContact O-N 3.14Å; V55-L81 HydrophobicContact CG2-CD1 4.21Å; V55-L81 HydrophobicContact CG2-CD2 4.32Å; V55-Y92 HydrophobicContact CG1-CD1 4.44Å; V55-R93 CarbonylContact C-O 3.53Å; V55-R93 VanDerWaalsContact CA-O 3.31Å; V55-R93 WeakPolarHBondContact CA-O 3.26Å; V55-V94 HydrophobicContact CG1-CG2 4.31Å; V55-V94 HydrophobicContact CG2-CG2 4.27Å |
| 56 | F | 98.8 | Very high | 98.3 | Very high | 17 Ų | 17 | 58.4 Ų | 58.4 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 149 | 175.9 | -52.7 | -93.1 | 0 | 0 | 0 | 110 | K54 W64 Q65 D66 Y92 R93 E95 | K54-F56 HydrophobicContact CB-CE2 3.72Å; K54-F56 HydrophobicContact CB-CZ 3.87Å; K54-F56 HydrophobicContact CD-CZ 4Å; F56-W64 HydrophobicContact CB-CB 4.14Å; F56-W64 HydrophobicContact CB-CD2 4.41Å; F56-W64 HydrophobicContact CB-CE3 3.83Å; F56-W64 HydrophobicContact CD1-CB 4.33Å; F56-W64 HydrophobicContact CG-CB 4.41Å; F56-Q65 CarbonylContact C-O 3.49Å; F56-Q65 WeakPolarHBondContact CA-O 3.36Å; F56-Q65 WeakPolarHBondContact CB-O 3.43Å; F56-D66 WeakPolarHBondContact CD1-OD1 3.24Å; F56-D66 WeakPolarHBondContact CE1-OD1 3.05Å; F56-Y92 CarbonylContact O-C 3.57Å; F56-Y92 VanDerWaalsContact O-CA 3.26Å; F56-Y92 WeakPolarHBondContact O-CA 3.12Å; F56-R93 HydrophobicContact CB-CB 4.35Å; F56-R93 HydrophobicContact CD2-CB 4.38Å; F56-R93 HydrophobicContact CD2-CG 4.44Å; F56-R93 PolarHBondContact N-O 2.93Å; F56-R93 PolarHBondContact O-N 3.25Å; F56-E95 HydrophobicContact CE2-CB 3.98Å |
| 57 | K | 98.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 59.2 Ų | 59.2 | 25% | 0.248 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137 | 167.9 | -172.3 | 177.5 | -178 | 177.9 | 0 | 109.6 | Q65 F67 Y92 | K57-Q65 PolarHBondContact N-O 2.76Å; K57-Q65 PolarHBondContact O-N 3.22Å; K57-F67 HydrophobicContact CB-CB 4.34Å; K57-F67 HydrophobicContact CB-CD2 4.21Å; K57-Y92 HydrophobicContact CB-CD1 4.05Å; K57-Y92 HydrophobicContact CB-CE1 3.86Å; K57-Y92 HydrophobicContact CD-CE1 3.88Å; K57-Y92 HydrophobicContact CG-CD1 4.21Å; K57-Y92 HydrophobicContact CG-CE1 3.77Å |
| 58 | K | 98.6 | Very high | 98.3 | Very high | 94 Ų | 94 | 57.7 Ų | 57.7 | 41% | 0.409 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 124.2 | 175.5 | -156.7 | 174.4 | -173.7 | 177.6 | 0 | 109.9 | G62 S63 W64 V91 | K58-G62 WeakPolarHBondContact CE-O 3.44Å; K58-S63 CarbonylContact C-O 3.59Å; K58-S63 WeakPolarHBondContact CA-O 3.45Å; K58-W64 HydrophobicContact CB-CE3 3.95Å; K58-W64 HydrophobicContact CB-CH2 4.06Å; K58-W64 HydrophobicContact CB-CZ3 3.61Å; K58-W64 HydrophobicContact CD-CH2 4.21Å; K58-W64 HydrophobicContact CD-CZ2 4.37Å; K58-W64 HydrophobicContact CG-CE3 4.37Å; K58-W64 HydrophobicContact CG-CH2 4.33Å; K58-W64 HydrophobicContact CG-CZ3 4.22Å; K58-V91 HydrophobicContact CB-CB 3.91Å; K58-V91 HydrophobicContact CB-CG1 4.47Å; K58-V91 WeakPolarHBondContact CB-O 3.31Å; K58-V91 HydrophobicContact CD-CB 4.27Å; K58-V91 HydrophobicContact CD-CG1 4.38Å; K58-V91 PolarHBondContact N-O 2.83Å |
| 59 | A | 97.9 | Very high | 98.2 | Very high | 24 Ų | 24 | 63 Ų | 63 | 20% | 0.198 | 36% | 0.358 | C | S | . | . | trans | -80.5 | 168.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D61 G62 S63 Q65 | A59-D61 WeakPolarHBondContact CB-OD1 3.3Å; A59-D61 PolarHBondContact O-N 3.15Å; A59-G62 WeakPolarHBondContact O-CA 3.26Å; A59-G62 PolarHBondContact O-N 3.01Å; A59-S63 PolarHBondContact N-O 3.06Å; A59-Q65 HydrophobicContact CB-CG 4.06Å | ||
| 60 | A | 96.1 | Very high | 98.2 | Very high | 117 Ų | 117 | 62.6 Ų | 62.6 | 97% | 0.967 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | G62 | A60-G62 PolarHBondContact O-N 3.41Š|
| 61 | D | 97.3 | Very high | 98.2 | Very high | 128 Ų | 128 | 63.2 Ų | 63.2 | 68% | 0.684 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 0.7 | 174.4 | 67.1 | -1 | 0 | 0 | 0 | 113.3 | A59 S63 | A59-D61 WeakPolarHBondContact CB-OD1 3.3Å; A59-D61 PolarHBondContact O-N 3.15Å; D61-S63 VanDerWaalsContact C-N 3.32Å; D61-S63 VanDerWaalsContact OD1-CB 3.23Å; D61-S63 WeakPolarHBondContact OD1-CB 3.38Å; D61-S63 PolarHBondContact OD1-N 3.32Å; D61-S63 PolarHBondContact OD1-OG 2.88Å; D61-S63 PolarHBondContact OD2-OG 3.44Å |
| 62 | G | 96.9 | Very high | 98.2 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 84.9 | -3.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K58 A59 A60 | K58-G62 WeakPolarHBondContact CE-O 3.44Å; A59-G62 WeakPolarHBondContact O-CA 3.26Å; A59-G62 PolarHBondContact O-N 3.01Å; A60-G62 PolarHBondContact O-N 3.41Å |
| 63 | S | 98.2 | Very high | 98.2 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | trans | -71.7 | 156.7 | 175.8 | 69.6 | 0 | 0 | 0 | 0 | 112.2 | K58 A59 D61 | K58-S63 CarbonylContact C-O 3.59Å; K58-S63 WeakPolarHBondContact CA-O 3.45Å; A59-S63 PolarHBondContact N-O 3.06Å; D61-S63 VanDerWaalsContact C-N 3.32Å; D61-S63 VanDerWaalsContact OD1-CB 3.23Å; D61-S63 WeakPolarHBondContact OD1-CB 3.38Å; D61-S63 PolarHBondContact OD1-N 3.32Å; D61-S63 PolarHBondContact OD1-OG 2.88Å; D61-S63 PolarHBondContact OD2-OG 3.44Å | ||
| 64 | W | 98.6 | Very high | 98.1 | Very high | 82 Ų | 82 | 71.7 Ų | 71.7 | 31% | 0.311 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.7 | 172.9 | -67.8 | 110.6 | 0 | 0 | 0 | 109.6 | F56 K58 V91 R93 V117 | F56-W64 HydrophobicContact CB-CB 4.14Å; F56-W64 HydrophobicContact CB-CD2 4.41Å; F56-W64 HydrophobicContact CB-CE3 3.83Å; F56-W64 HydrophobicContact CD1-CB 4.33Å; F56-W64 HydrophobicContact CG-CB 4.41Å; K58-W64 HydrophobicContact CB-CE3 3.95Å; K58-W64 HydrophobicContact CB-CH2 4.06Å; K58-W64 HydrophobicContact CB-CZ3 3.61Å; K58-W64 HydrophobicContact CD-CH2 4.21Å; K58-W64 HydrophobicContact CD-CZ2 4.37Å; K58-W64 HydrophobicContact CG-CE3 4.37Å; K58-W64 HydrophobicContact CG-CH2 4.33Å; K58-W64 HydrophobicContact CG-CZ3 4.22Å; W64-V91 HydrophobicContact CH2-CG1 3.95Å; W64-V91 HydrophobicContact CZ3-CG1 4.48Å; W64-R93 HydrophobicContact CD2-CB 4.45Å; W64-R93 HydrophobicContact CE3-CB 4.01Å; W64-R93 HydrophobicContact CH2-CB 3.79Å; W64-R93 HydrophobicContact CZ2-CB 4.24Å; W64-R93 HydrophobicContact CZ3-CB 3.65Å; W64-V117 HydrophobicContact CH2-CG1 3.79Å; W64-V117 HydrophobicContact CH2-CG2 4.48Å; W64-V117 HydrophobicContact CZ2-CG1 4.2Å; W64-V117 HydrophobicContact CZ2-CG2 4.41Å |
| 65 | Q | 98.4 | Very high | 98.1 | Very high | 113 Ų | 113 | 71.3 Ų | 71.3 | 53% | 0.528 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 139.7 | 175 | -65.1 | -176.3 | -5.4 | 0 | 0 | 110 | F56 K57 A59 F67 | F56-Q65 CarbonylContact C-O 3.49Å; F56-Q65 WeakPolarHBondContact CA-O 3.36Å; F56-Q65 WeakPolarHBondContact CB-O 3.43Å; K57-Q65 PolarHBondContact N-O 2.76Å; K57-Q65 PolarHBondContact O-N 3.22Å; A59-Q65 HydrophobicContact CB-CG 4.06Å; Q65-F67 PolarHBondContact O-N 2.96Å |
| 66 | D | 98.3 | Very high | 98 | Very high | 136 Ų | 136 | 71.3 Ų | 71.3 | 73% | 0.727 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57 | 133.3 | 173.7 | -69.5 | -25.8 | 0 | 0 | 0 | 110 | F56 | F56-D66 WeakPolarHBondContact CD1-OD1 3.24Å; F56-D66 WeakPolarHBondContact CE1-OD1 3.05Å |
| 67 | F | 98.3 | Very high | 98 | Very high | 57 Ų | 57 | 70.7 Ų | 70.7 | 25% | 0.25 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | -51.2 | -178 | -179.3 | -100 | 0 | 0 | 0 | 111.6 | V55 K57 Q65 T82 Q86 F87 Y92 | V55-F67 HydrophobicContact CB-CB 4.45Å; V55-F67 HydrophobicContact CB-CD1 4.11Å; V55-F67 HydrophobicContact CG1-CB 4.35Å; V55-F67 HydrophobicContact CG1-CD1 3.7Å; V55-F67 HydrophobicContact CG1-CG 4.43Å; V55-F67 WeakPolarHBondContact O-CA 3.42Å; V55-F67 WeakPolarHBondContact O-CB 3.17Å; V55-F67 PolarHBondContact O-N 2.99Å; K57-F67 HydrophobicContact CB-CB 4.34Å; K57-F67 HydrophobicContact CB-CD2 4.21Å; Q65-F67 PolarHBondContact O-N 2.96Å; F67-T82 HydrophobicContact CE1-CG2 3.95Å; F67-T82 HydrophobicContact CZ-CG2 4.31Å; F67-T82 VanDerWaalsContact CZ-OG1 3.25Å; F67-T82 WeakPolarHBondContact CZ-OG1 3.11Å; F67-Q86 HydrophobicContact CZ-CB 4.37Å; F67-F87 HydrophobicContact CE1-CD2 4.07Å; F67-F87 HydrophobicContact CZ-CB 4.5Å; F67-F87 HydrophobicContact CZ-CD2 4.01Å; F67-Y92 HydrophobicContact CD1-CD1 4.39Å; F67-Y92 HydrophobicContact CD1-CE1 4.23Å; F67-Y92 HydrophobicContact CD2-CE1 4.05Å; F67-Y92 HydrophobicContact CE1-CE1 4.07Å; F67-Y92 AromaticContact CE2-CE1 3.9Å; F67-Y92 HydrophobicContact CE2-CE1 3.9Å; F67-Y92 HydrophobicContact CG-CD1 4.5Å; F67-Y92 HydrophobicContact CG-CE1 4.21Å; F67-Y92 AromaticContact CZ-CE1 3.91Å; F67-Y92 HydrophobicContact CZ-CE1 3.91Å |
| 68 | A | 98.1 | Very high | 97.9 | Very high | 17 Ų | 17 | 68.8 Ų | 68.8 | 14% | 0.14 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 160.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V55 L81 | V55-A68 HydrophobicContact CB-CB 4.05Å; V55-A68 HydrophobicContact CG2-CB 4.17Å; V55-A68 PolarHBondContact N-O 2.79Å; V55-A68 PolarHBondContact O-N 2.87Å; V55-A68 VanDerWaalsContact O-N 3.14Å; A68-L81 HydrophobicContact CB-CD2 4.42Å; A68-L81 WeakPolarHBondContact CB-O 3.36Å |
| 69 | V | 98.3 | Very high | 97.7 | Very high | 111 Ų | 111 | 66.8 Ų | 66.8 | 67% | 0.673 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 151.5 | 174.4 | -61 | 0 | 0 | 0 | 0 | 110.1 | V53 K54 | V53-V69 CarbonylContact O-C 3.55Å; V53-V69 WeakPolarHBondContact O-CA 3.17Å; K54-V69 HydrophobicContact CG-CG1 4.16Å |
| 70 | G | 97.7 | Very high | 97.1 | Very high | 22 Ų | 22 | 73 Ų | 73 | 23% | 0.227 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 179.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V53 | V53-G70 PolarHBondContact N-O 2.75Å; V53-G70 PolarHBondContact O-N 3.09Å |
| 71 | K | 98.4 | Very high | 96.9 | Very high | 137 Ų | 137 | 68.3 Ų | 68.3 | 60% | 0.596 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 137.7 | 170.3 | -72.2 | -174.7 | 177.1 | -175.5 | 0 | 109.8 | V51 A52 T73 I78 | V51-K71 VanDerWaalsContact O-CA 3.28Å; V51-K71 WeakPolarHBondContact O-CA 3.3Å; A52-K71 HydrophobicContact CB-CG 4.33Å; K71-T73 PolarHBondContact O-N 2.91Å; K71-I78 VanDerWaalsContact C-CD1 3.5Å; K71-I78 WeakPolarHBondContact O-CG1 3.12Å |
| 72 | T | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | trans | -60.9 | 137.4 | 177.1 | 55.9 | 0 | 0 | 0 | 0 | 111 | V39 A48 N50 V51 G76 E77 I78 | V39-T72 HydrophobicContact CB-CG2 4.2Å; V39-T72 HydrophobicContact CG2-CG2 3.7Å; A48-T72 WeakPolarHBondContact O-CB 3.45Å; A48-T72 PolarHBondContact O-OG1 2.89Å; N50-T72 WeakPolarHBondContact CA-O 3.26Å; N50-T72 PolarHBondContact N-O 2.89Å; N50-T72 PolarHBondContact N-OG1 3.4Å; N50-T72 VanDerWaalsContact N-OG1 3.12Å; V51-T72 HydrophobicContact CB-CG2 4.1Å; V51-T72 WeakPolarHBondContact CB-OG1 3.35Å; V51-T72 PolarHBondContact N-OG1 2.99Å; V51-T72 PolarHBondContact O-N 2.77Å; T72-G76 WeakPolarHBondContact CG2-O 3.5Å; T72-E77 WeakPolarHBondContact CA-O 2.99Å; T72-I78 HydrophobicContact CG2-CD1 4.23Å; T72-I78 HydrophobicContact CG2-CG1 3.94Å | ||
| 73 | T | 98.3 | Very high | 96.6 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 39% | 0.393 | 32% | 0.324 | S | S | . | . | trans | -68.8 | -179.3 | 173.9 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | A49 K71 Y75 G76 E77 | A49-T73 VanDerWaalsContact CA-O 3.29Å; A49-T73 WeakPolarHBondContact CA-O 3.25Å; A49-T73 WeakPolarHBondContact CB-O 3.33Å; K71-T73 PolarHBondContact O-N 2.91Å; T73-Y75 PolarHBondContact O-N 3.06Å; T73-Y75 VanDerWaalsContact O-N 3.12Å; T73-Y75 PolarHBondContact OG1-N 3.48Å; T73-G76 PolarHBondContact O-N 3.16Å; T73-E77 WeakPolarHBondContact CG2-O 3.27Å; T73-E77 PolarHBondContact N-O 2.85Å; T73-E77 PolarHBondContact OG1-N 3.33Å; T73-E77 PolarHBondContact OG1-O 2.87Å | ||
| 74 | E | 97.8 | Very high | 96.2 | Very high | 144 Ų | 144 | 64.8 Ų | 64.8 | 67% | 0.673 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -22.6 | 172.3 | 68.5 | -169.2 | 138.4 | 0 | 0 | 113.6 | G76 | E74-G76 VanDerWaalsContact C-N 3.3Š|
| 75 | Y | 97.7 | Very high | 95.9 | Very high | 95 Ų | 95 | 67.7 Ų | 67.7 | 37% | 0.373 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 4.3 | 175.7 | -56 | -76.6 | 0 | 0 | 0 | 113.5 | H26 P47 T73 E77 | H26-Y75 AromaticContact CE1-CD1 3.73Å; H26-Y75 AromaticContact CE1-CD2 3.45Å; H26-Y75 VanDerWaalsContact CE1-CD2 3.45Å; H26-Y75 WeakPolarHBondContact CE1-CD2 3.19Å; H26-Y75 AromaticContact CE1-CE1 3.4Å; H26-Y75 VanDerWaalsContact CE1-CE1 3.4Å; H26-Y75 WeakPolarHBondContact CE1-CE1 3.33Å; H26-Y75 AromaticContact CE1-CE2 3.13Å; H26-Y75 WeakPolarHBondContact CE1-CE2 3.19Å; H26-Y75 AromaticContact CE1-CG 3.74Å; H26-Y75 AromaticContact CE1-CZ 3.08Å; H26-Y75 AromaticContact ND1-CD1 3.67Å; H26-Y75 AromaticContact ND1-CD2 3.74Å; H26-Y75 AromaticContact ND1-CE1 3.79Å; H26-Y75 AromaticContact ND1-CE2 3.88Å; H26-Y75 AromaticContact ND1-CG 3.63Å; H26-Y75 AromaticContact ND1-CZ 3.89Å; H26-Y75 AromaticContact NE2-CE1 3.55Å; H26-Y75 AromaticContact NE2-CE2 3.85Å; H26-Y75 AromaticContact NE2-CZ 3.33Å; H26-Y75 VanDerWaalsContact NE2-CZ 3.33Å; H26-Y75 PolarHBondContact NE2-OH 3.27Å; P47-Y75 WeakPolarHBondContact CB-O 3.33Å; T73-Y75 PolarHBondContact O-N 3.06Å; T73-Y75 VanDerWaalsContact O-N 3.12Å; T73-Y75 PolarHBondContact OG1-N 3.48Å; Y75-E77 PolarHBondContact O-N 3.22Å |
| 76 | G | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 73 | 15.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K38 V39 T72 T73 E74 | K38-G76 CarbonylContact C-O 3.52Å; K38-G76 WeakPolarHBondContact CA-O 3.23Å; V39-G76 PolarHBondContact N-O 2.84Å; T72-G76 WeakPolarHBondContact CG2-O 3.5Å; T73-G76 PolarHBondContact O-N 3.16Å; E74-G76 VanDerWaalsContact C-N 3.3Å |
| 77 | E | 98.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 149.3 | -172.7 | -67.5 | 171.1 | -178.4 | 0 | 0 | 111.6 | V37 K38 T72 T73 Y75 H79 | V37-E77 VanDerWaalsContact O-CA 3.26Å; V37-E77 WeakPolarHBondContact O-CA 3.47Å; K38-E77 HydrophobicContact CB-CG 4.37Å; K38-E77 HydrophobicContact CD-CG 4.16Å; K38-E77 WeakPolarHBondContact CE-OE1 3.43Å; K38-E77 HydrophobicContact CG-CG 4.06Å; K38-E77 IonicContact NZ-OE1 2.79Å; K38-E77 PolarHBondContact NZ-OE1 3Å; T72-E77 WeakPolarHBondContact CA-O 2.99Å; T73-E77 WeakPolarHBondContact CG2-O 3.27Å; T73-E77 PolarHBondContact N-O 2.85Å; T73-E77 PolarHBondContact OG1-N 3.33Å; T73-E77 PolarHBondContact OG1-O 2.87Å; Y75-E77 PolarHBondContact O-N 3.22Å; E77-H79 IonicContact OE2-CD2 2.88Å; E77-H79 IonicContact OE2-CE1 2.75Å; E77-H79 IonicContact OE2-NE2 3.85Å; E77-H79 PolarHBondContact OE2-NE2 2.99Å |
| 78 | I | 96.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 119.2 | 160.7 | -46.2 | 174.6 | 0 | 0 | 0 | 107.4 | M36 V37 V53 K71 T72 L81 | M36-I78 WeakPolarHBondContact CG-O 3.28Å; V37-I78 HydrophobicContact CG2-CB 3.69Å; V37-I78 HydrophobicContact CG2-CD1 3.73Å; V37-I78 HydrophobicContact CG2-CG1 3.61Å; V37-I78 PolarHBondContact N-O 3.13Å; V37-I78 PolarHBondContact O-N 2.84Å; V53-I78 HydrophobicContact CB-CD1 3.68Å; V53-I78 HydrophobicContact CG1-CD1 4.45Å; V53-I78 HydrophobicContact CG2-CD1 3.62Å; K71-I78 VanDerWaalsContact C-CD1 3.5Å; K71-I78 WeakPolarHBondContact O-CG1 3.12Å; T72-I78 HydrophobicContact CG2-CD1 4.23Å; T72-I78 HydrophobicContact CG2-CG1 3.94Å; I78-L81 HydrophobicContact CB-CD1 4.47Å; I78-L81 HydrophobicContact CB-CD2 4.49Å; I78-L81 HydrophobicContact CB-CG 4.31Å; I78-L81 HydrophobicContact CD1-CD2 4.5Å; I78-L81 HydrophobicContact CG2-CD2 3.82Å; I78-L81 HydrophobicContact CG2-CG 3.85Å |
| 79 | H | 93 | Very high | 95.4 | Very high | 52 Ų | 52 | 66.9 Ų | 66.9 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | trans | -95 | 158.8 | 170.8 | -61 | -83.8 | 0 | 0 | 0 | 109.1 | E77 L81 | E77-H79 IonicContact OE2-CD2 2.88Å; E77-H79 IonicContact OE2-CE1 2.75Å; E77-H79 IonicContact OE2-NE2 3.85Å; E77-H79 PolarHBondContact OE2-NE2 2.99Å; H79-L81 PolarHBondContact O-N 3.5Å | ||
| 80 | E | 85.3 | Confident | 95.4 | Very high | 156 Ų | 156 | 62.5 Ų | 62.5 | 73% | 0.729 | 31% | 0.311 | S | S | * | . | trans | 58.8 | 39 | 170.8 | -52.3 | -177.9 | 161 | 0 | 0 | 114.7 | C33 T82 | C33-E80 PolarHBondContact SG-N 3.17Å; E80-T82 PolarHBondContact O-N 3.32Å; E80-T82 VanDerWaalsContact O-N 3.15Å | ||
| 81 | L | 92.5 | Very high | 95.5 | Very high | 17 Ų | 17 | 63.6 Ų | 63.6 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -61 | -21.1 | 173.3 | -80 | 166.7 | 0 | 0 | 0 | 113 | L35 V37 V55 A68 I78 H79 | L35-L81 HydrophobicContact CD2-CD1 4.39Å; L35-L81 HydrophobicContact CG-CD1 4.24Å; V37-L81 HydrophobicContact CG1-CD1 3.78Å; V37-L81 HydrophobicContact CG2-CD1 4.27Å; V55-L81 HydrophobicContact CG2-CD1 4.21Å; V55-L81 HydrophobicContact CG2-CD2 4.32Å; A68-L81 HydrophobicContact CB-CD2 4.42Å; A68-L81 WeakPolarHBondContact CB-O 3.36Å; I78-L81 HydrophobicContact CB-CD1 4.47Å; I78-L81 HydrophobicContact CB-CD2 4.49Å; I78-L81 HydrophobicContact CB-CG 4.31Å; I78-L81 HydrophobicContact CD1-CD2 4.5Å; I78-L81 HydrophobicContact CG2-CD2 3.82Å; I78-L81 HydrophobicContact CG2-CG 3.85Å; H79-L81 PolarHBondContact O-N 3.5Å |
| 82 | T | 94.5 | Very high | 95.5 | Very high | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -164 | 166 | -178.2 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | P34 L35 F67 E80 Q86 F87 | P34-T82 HydrophobicContact CG-CG2 3.95Å; L35-T82 HydrophobicContact CB-CG2 3.93Å; F67-T82 HydrophobicContact CE1-CG2 3.95Å; F67-T82 HydrophobicContact CZ-CG2 4.31Å; F67-T82 VanDerWaalsContact CZ-OG1 3.25Å; F67-T82 WeakPolarHBondContact CZ-OG1 3.11Å; E80-T82 PolarHBondContact O-N 3.32Å; E80-T82 VanDerWaalsContact O-N 3.15Å; T82-Q86 WeakPolarHBondContact OG1-CB 3.48Å; T82-F87 HydrophobicContact CG2-CB 3.68Å; T82-F87 HydrophobicContact CG2-CD2 3.97Å; T82-F87 HydrophobicContact CG2-CG 3.9Å |
| 83 | T | 93 | Very high | 95.5 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | trans | -95.9 | 166.1 | 168.3 | 79.2 | 0 | 0 | 0 | 0 | 111.5 | E85 Q86 F87 | T83-E85 VanDerWaalsContact C-N 3.26Å; T83-E85 WeakPolarHBondContact CB-OE2 3.46Å; T83-E85 PolarHBondContact O-N 2.72Å; T83-E85 PolarHBondContact OG1-N 3.09Å; T83-E85 PolarHBondContact OG1-OE2 3.41Å; T83-Q86 PolarHBondContact O-N 3.35Å; T83-Q86 PolarHBondContact OG1-N 2.88Å; T83-F87 VanDerWaalsContact O-CB 3.3Å; T83-F87 WeakPolarHBondContact O-CB 3.41Å; T83-F87 PolarHBondContact O-N 3.29Å | ||
| 84 | E | 90.8 | Very high | 95.5 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 31% | 0.308 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -35.4 | 177 | -64.9 | -168.6 | 156.2 | 0 | 0 | 112 | P34 Q86 F87 H125 H127 | P34-E84 HydrophobicContact CB-CG 4.21Å; P34-E84 HydrophobicContact CG-CG 4.12Å; E84-Q86 VanDerWaalsContact C-N 3.35Å; E84-Q86 PolarHBondContact O-N 3.46Å; E84-F87 PolarHBondContact O-N 3.48Å; E84-H125 PolarHBondContact O-CE1 2.87Å; E84-H127 IonicContact OE1-CD2 2.67Å; E84-H127 IonicContact OE1-CE1 3.98Å; E84-H127 IonicContact OE1-NE2 3.51Å; E84-H127 PolarHBondContact OE1-NE2 3.06Å |
| 85 | E | 91.9 | Very high | 95.6 | Very high | 143 Ų | 143 | 50.4 Ų | 50.4 | 67% | 0.668 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -34 | 179.7 | -56.4 | 78 | -169.8 | 0 | 0 | 112.3 | T83 V88 | T83-E85 VanDerWaalsContact C-N 3.26Å; T83-E85 WeakPolarHBondContact CB-OE2 3.46Å; T83-E85 PolarHBondContact O-N 2.72Å; T83-E85 PolarHBondContact OG1-N 3.09Å; T83-E85 PolarHBondContact OG1-OE2 3.41Å; E85-V88 WeakPolarHBondContact O-CG1 3.37Å |
| 86 | Q | 94.6 | Very high | 95.6 | Very high | 118 Ų | 118 | 45.9 Ų | 45.9 | 55% | 0.551 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -33.5 | 178.9 | -69.2 | 179.4 | -34.1 | 0 | 0 | 111.8 | F67 T82 T83 E84 V88 | F67-Q86 HydrophobicContact CZ-CB 4.37Å; T82-Q86 WeakPolarHBondContact OG1-CB 3.48Å; T83-Q86 PolarHBondContact O-N 3.35Å; T83-Q86 PolarHBondContact OG1-N 2.88Å; E84-Q86 VanDerWaalsContact C-N 3.35Å; E84-Q86 PolarHBondContact O-N 3.46Å; Q86-V88 VanDerWaalsContact C-N 3.26Å; Q86-V88 PolarHBondContact O-N 3.44Å |
| 87 | F | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -84.7 | 67.2 | -177.5 | -163.7 | -120.6 | 0 | 0 | 0 | 111.8 | P34 L35 F67 T82 T83 E84 Y92 F118 A120 N121 Y128 | P34-F87 HydrophobicContact CB-CB 4.46Å; P34-F87 HydrophobicContact CB-CD1 3.89Å; P34-F87 HydrophobicContact CG-CB 4.19Å; P34-F87 HydrophobicContact CG-CD1 4.42Å; L35-F87 HydrophobicContact CB-CZ 4.39Å; L35-F87 HydrophobicContact CD2-CE2 4.16Å; F67-F87 HydrophobicContact CE1-CD2 4.07Å; F67-F87 HydrophobicContact CZ-CB 4.5Å; F67-F87 HydrophobicContact CZ-CD2 4.01Å; T82-F87 HydrophobicContact CG2-CB 3.68Å; T82-F87 HydrophobicContact CG2-CD2 3.97Å; T82-F87 HydrophobicContact CG2-CG 3.9Å; T83-F87 VanDerWaalsContact O-CB 3.3Å; T83-F87 WeakPolarHBondContact O-CB 3.41Å; T83-F87 PolarHBondContact O-N 3.29Å; E84-F87 PolarHBondContact O-N 3.48Å; F87-Y92 HydrophobicContact CD2-CD1 4.29Å; F87-Y92 AromaticContact CD2-CE1 3.78Å; F87-Y92 HydrophobicContact CD2-CE1 3.78Å; F87-Y92 HydrophobicContact CD2-CE2 4.09Å; F87-Y92 AromaticContact CD2-CZ 3.67Å; F87-Y92 AromaticContact CE2-CD1 3.81Å; F87-Y92 HydrophobicContact CE2-CD1 3.81Å; F87-Y92 AromaticContact CE2-CD2 3.75Å; F87-Y92 HydrophobicContact CE2-CD2 3.75Å; F87-Y92 AromaticContact CE2-CE1 3.75Å; F87-Y92 HydrophobicContact CE2-CE1 3.75Å; F87-Y92 AromaticContact CE2-CE2 3.69Å; F87-Y92 HydrophobicContact CE2-CE2 3.69Å; F87-Y92 AromaticContact CE2-CG 3.81Å; F87-Y92 HydrophobicContact CE2-CG 3.81Å; F87-Y92 AromaticContact CE2-CZ 3.68Å; F87-Y92 HydrophobicContact CZ-CD2 4.26Å; F87-Y92 HydrophobicContact CZ-CE2 4.33Å; F87-F118 HydrophobicContact CZ-CE2 4.14Å; F87-F118 HydrophobicContact CZ-CZ 4.41Å; F87-A120 HydrophobicContact CE1-CB 3.83Å; F87-A120 HydrophobicContact CE2-CB 4.18Å; F87-A120 HydrophobicContact CZ-CB 3.47Å; F87-A120 VanDerWaalsContact CZ-CB 3.47Å; F87-N121 WeakPolarHBondContact CD1-ND2 3.32Å; F87-N121 WeakPolarHBondContact CE1-ND2 3.39Å; F87-N121 PolarHBondContact O-ND2 3.02Å; F87-Y128 AromaticContact CE1-CD2 3.63Å; F87-Y128 HydrophobicContact CE1-CD2 3.63Å; F87-Y128 AromaticContact CE1-CE2 3.85Å; F87-Y128 HydrophobicContact CE1-CE2 3.85Å; F87-Y128 HydrophobicContact CE1-CG 4.49Å; F87-Y128 HydrophobicContact CZ-CD2 4.25Å |
| 88 | V | 95.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 48.5 Ų | 48.5 | 37% | 0.37 | 24% | 0.244 | S | C | . | . | trans | -82.4 | 175.6 | 179.2 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | E85 Q86 G90 Y92 | E85-V88 WeakPolarHBondContact O-CG1 3.37Å; Q86-V88 VanDerWaalsContact C-N 3.26Å; Q86-V88 PolarHBondContact O-N 3.44Å; V88-G90 PolarHBondContact O-N 3.46Å; V88-Y92 PolarHBondContact N-OH 2.88Å; V88-Y92 WeakPolarHBondContact O-CE2 3.44Å; V88-Y92 PolarHBondContact O-OH 2.9Å | ||
| 89 | E | 97.4 | Very high | 95.8 | Very high | 128 Ų | 128 | 47.9 Ų | 47.9 | 60% | 0.598 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -50.3 | 135.7 | 172 | -172.4 | -175 | 151.6 | 0 | 0 | 112.1 | A120 | E89-A120 WeakPolarHBondContact CA-O 3.36Š|
| 90 | G | 97.6 | Very high | 96 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.7 | 179.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V88 Y92 T119 A120 | V88-G90 PolarHBondContact O-N 3.46Å; G90-Y92 WeakPolarHBondContact O-CD2 3.36Å; G90-T119 WeakPolarHBondContact O-CA 3.47Å; G90-A120 PolarHBondContact N-O 3.03Å; G90-A120 PolarHBondContact O-N 3.14Å |
| 91 | V | 98.6 | Very high | 96.7 | Very high | 45 Ų | 45 | 42 Ų | 42 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 125.9 | 173 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | K58 W64 V117 F118 | K58-V91 HydrophobicContact CB-CB 3.91Å; K58-V91 HydrophobicContact CB-CG1 4.47Å; K58-V91 WeakPolarHBondContact CB-O 3.31Å; K58-V91 HydrophobicContact CD-CB 4.27Å; K58-V91 HydrophobicContact CD-CG1 4.38Å; K58-V91 PolarHBondContact N-O 2.83Å; W64-V91 HydrophobicContact CH2-CG1 3.95Å; W64-V91 HydrophobicContact CZ3-CG1 4.48Å; V91-V117 HydrophobicContact CG1-CG1 3.79Å; V91-F118 CarbonylContact C-O 3.51Å; V91-F118 WeakPolarHBondContact CA-O 3.45Å |
| 92 | Y | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 152.9 | -179.6 | -65.5 | -93.4 | 0 | 0 | 0 | 110.6 | V55 F56 K57 F67 F87 V88 G90 V117 F118 A120 | V55-Y92 HydrophobicContact CG1-CD1 4.44Å; F56-Y92 CarbonylContact O-C 3.57Å; F56-Y92 VanDerWaalsContact O-CA 3.26Å; F56-Y92 WeakPolarHBondContact O-CA 3.12Å; K57-Y92 HydrophobicContact CB-CD1 4.05Å; K57-Y92 HydrophobicContact CB-CE1 3.86Å; K57-Y92 HydrophobicContact CD-CE1 3.88Å; K57-Y92 HydrophobicContact CG-CD1 4.21Å; K57-Y92 HydrophobicContact CG-CE1 3.77Å; F67-Y92 HydrophobicContact CD1-CD1 4.39Å; F67-Y92 HydrophobicContact CD1-CE1 4.23Å; F67-Y92 HydrophobicContact CD2-CE1 4.05Å; F67-Y92 HydrophobicContact CE1-CE1 4.07Å; F67-Y92 AromaticContact CE2-CE1 3.9Å; F67-Y92 HydrophobicContact CE2-CE1 3.9Å; F67-Y92 HydrophobicContact CG-CD1 4.5Å; F67-Y92 HydrophobicContact CG-CE1 4.21Å; F67-Y92 AromaticContact CZ-CE1 3.91Å; F67-Y92 HydrophobicContact CZ-CE1 3.91Å; F87-Y92 HydrophobicContact CD2-CD1 4.29Å; F87-Y92 AromaticContact CD2-CE1 3.78Å; F87-Y92 HydrophobicContact CD2-CE1 3.78Å; F87-Y92 HydrophobicContact CD2-CE2 4.09Å; F87-Y92 AromaticContact CD2-CZ 3.67Å; F87-Y92 AromaticContact CE2-CD1 3.81Å; F87-Y92 HydrophobicContact CE2-CD1 3.81Å; F87-Y92 AromaticContact CE2-CD2 3.75Å; F87-Y92 HydrophobicContact CE2-CD2 3.75Å; F87-Y92 AromaticContact CE2-CE1 3.75Å; F87-Y92 HydrophobicContact CE2-CE1 3.75Å; F87-Y92 AromaticContact CE2-CE2 3.69Å; F87-Y92 HydrophobicContact CE2-CE2 3.69Å; F87-Y92 AromaticContact CE2-CG 3.81Å; F87-Y92 HydrophobicContact CE2-CG 3.81Å; F87-Y92 AromaticContact CE2-CZ 3.68Å; F87-Y92 HydrophobicContact CZ-CD2 4.26Å; F87-Y92 HydrophobicContact CZ-CE2 4.33Å; V88-Y92 PolarHBondContact N-OH 2.88Å; V88-Y92 WeakPolarHBondContact O-CE2 3.44Å; V88-Y92 PolarHBondContact O-OH 2.9Å; G90-Y92 WeakPolarHBondContact O-CD2 3.36Å; Y92-V117 WeakPolarHBondContact O-CA 3.19Å; Y92-F118 PolarHBondContact N-O 3.06Å; Y92-F118 PolarHBondContact O-N 2.94Å; Y92-A120 HydrophobicContact CD2-CB 3.67Å; Y92-A120 HydrophobicContact CE2-CB 3.79Å |
| 93 | R | 98.8 | Very high | 97.2 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 126 | 170.6 | 179.8 | 176.1 | 66.7 | 174.4 | 4.3 | 109.2 | V55 F56 W64 D115 V116 V117 | V55-R93 CarbonylContact C-O 3.53Å; V55-R93 VanDerWaalsContact CA-O 3.31Å; V55-R93 WeakPolarHBondContact CA-O 3.26Å; F56-R93 HydrophobicContact CB-CB 4.35Å; F56-R93 HydrophobicContact CD2-CB 4.38Å; F56-R93 HydrophobicContact CD2-CG 4.44Å; F56-R93 PolarHBondContact N-O 2.93Å; F56-R93 PolarHBondContact O-N 3.25Å; W64-R93 HydrophobicContact CD2-CB 4.45Å; W64-R93 HydrophobicContact CE3-CB 4.01Å; W64-R93 HydrophobicContact CH2-CB 3.79Å; W64-R93 HydrophobicContact CZ2-CB 4.24Å; W64-R93 HydrophobicContact CZ3-CB 3.65Å; R93-D115 HydrophobicContact CG-CB 4.21Å; R93-V116 CarbonylContact C-O 3.58Å; R93-V116 VanDerWaalsContact CA-O 3.3Å; R93-V116 WeakPolarHBondContact CA-O 3.5Å; R93-V117 HydrophobicContact CB-CG2 4.02Å; R93-V117 HydrophobicContact CG-CG2 3.79Å |
| 94 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123.5 | 169.1 | 179.4 | 0 | 0 | 0 | 0 | 107.5 | L35 V37 V53 V55 F96 D115 V116 F118 | L35-V94 HydrophobicContact CD2-CG2 4.47Å; V37-V94 HydrophobicContact CG1-CG1 3.98Å; V53-V94 HydrophobicContact CG1-CG1 3.66Å; V55-V94 HydrophobicContact CG1-CG2 4.31Å; V55-V94 HydrophobicContact CG2-CG2 4.27Å; V94-F96 HydrophobicContact CB-CE2 4.35Å; V94-F96 HydrophobicContact CG1-CD2 4.26Å; V94-F96 HydrophobicContact CG1-CE1 4.14Å; V94-F96 HydrophobicContact CG1-CE2 3.6Å; V94-F96 HydrophobicContact CG1-CZ 3.52Å; V94-D115 CarbonylContact O-C 3.58Å; V94-D115 WeakPolarHBondContact O-CA 3.23Å; V94-V116 PolarHBondContact N-O 2.89Å; V94-V116 PolarHBondContact O-N 2.85Å; V94-F118 HydrophobicContact CG2-CE1 3.96Å |
| 95 | E | 98.9 | Very high | 97.8 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.2 | 179.7 | -177.3 | -177.6 | 103.7 | 0 | 0 | 109.2 | V53 K54 F56 Y113 | V53-E95 CarbonylContact C-O 3.59Å; V53-E95 VanDerWaalsContact CA-O 3.27Å; V53-E95 WeakPolarHBondContact CA-O 3.48Å; K54-E95 PolarHBondContact N-O 3.12Å; K54-E95 PolarHBondContact O-N 3.28Å; F56-E95 HydrophobicContact CE2-CB 3.98Å; E95-Y113 HydrophobicContact CG-CD2 3.84Å; E95-Y113 HydrophobicContact CG-CG 3.97Å |
| 96 | F | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.3 | 176.7 | -56.3 | -91.8 | 0 | 0 | 0 | 109.3 | V37 V39 V51 V53 V94 T98 Y113 A114 V116 I130 A132 | V37-F96 HydrophobicContact CB-CE1 3.95Å; V37-F96 HydrophobicContact CB-CZ 4.21Å; V37-F96 HydrophobicContact CG1-CE1 4.18Å; V37-F96 HydrophobicContact CG1-CZ 4.12Å; V37-F96 HydrophobicContact CG2-CE1 4.29Å; V39-F96 HydrophobicContact CG2-CD1 3.71Å; V39-F96 HydrophobicContact CG2-CE1 3.58Å; V51-F96 HydrophobicContact CG1-CB 4.28Å; V53-F96 HydrophobicContact CG1-CE1 4.48Å; V53-F96 HydrophobicContact CG2-CD1 3.57Å; V53-F96 HydrophobicContact CG2-CE1 3.94Å; V53-F96 HydrophobicContact CG2-CG 4.48Å; V94-F96 HydrophobicContact CB-CE2 4.35Å; V94-F96 HydrophobicContact CG1-CD2 4.26Å; V94-F96 HydrophobicContact CG1-CE1 4.14Å; V94-F96 HydrophobicContact CG1-CE2 3.6Å; V94-F96 HydrophobicContact CG1-CZ 3.52Å; F96-T98 HydrophobicContact CB-CG2 4.02Å; F96-T98 PolarHBondContact O-N 3.21Å; F96-Y113 WeakPolarHBondContact O-CA 3.48Å; F96-Y113 VanDerWaalsContact O-CB 3.26Å; F96-Y113 WeakPolarHBondContact O-CB 3.31Å; F96-A114 HydrophobicContact CB-CB 4.45Å; F96-A114 WeakPolarHBondContact CD2-O 3.42Å; F96-A114 PolarHBondContact N-O 3.46Å; F96-A114 PolarHBondContact O-N 3.42Å; F96-V116 HydrophobicContact CE2-CG2 4.12Å; F96-I130 HydrophobicContact CE2-CG2 4.32Å; F96-I130 HydrophobicContact CZ-CG2 4.12Å; F96-A132 HydrophobicContact CE2-CB 4.49Å; F96-A132 HydrophobicContact CZ-CB 4.45Å |
| 97 | D | 98.8 | Very high | 98.2 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | trans | -76 | 71.8 | 176 | -172.7 | -2.6 | 0 | 0 | 0 | 111.1 | A52 S99 S100 Y101 | A52-D97 HydrophobicContact CB-CB 4.01Å; A52-D97 PolarHBondContact O-N 2.65Å; D97-S99 VanDerWaalsContact C-N 3.33Å; D97-S100 VanDerWaalsContact CG-CB 3.43Å; D97-S100 VanDerWaalsContact OD1-CB 3.23Å; D97-S100 WeakPolarHBondContact OD1-CB 3.49Å; D97-S100 PolarHBondContact OD1-N 2.84Å; D97-S100 PolarHBondContact OD1-OG 2.83Å; D97-S100 WeakPolarHBondContact OD2-CB 3.37Å; D97-S100 PolarHBondContact OD2-OG 3.12Å; D97-Y101 PolarHBondContact O-N 2.92Å | ||
| 98 | T | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.8 | -29.5 | -179.1 | 59 | 0 | 0 | 0 | 0 | 111.9 | F96 Y101 W102 Y113 A114 L134 | F96-T98 HydrophobicContact CB-CG2 4.02Å; F96-T98 PolarHBondContact O-N 3.21Å; T98-Y101 PolarHBondContact O-N 2.87Å; T98-W102 PolarHBondContact O-N 3.06Å; T98-Y113 WeakPolarHBondContact OG1-CA 3.26Å; T98-A114 HydrophobicContact CG2-CB 3.81Å; T98-L134 HydrophobicContact CG2-CD1 3.82Å; T98-L134 HydrophobicContact CG2-CD2 3.79Å; T98-L134 HydrophobicContact CG2-CG 4.45Å |
| 99 | S | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -51.1 | 178.6 | -173.9 | 0 | 0 | 0 | 0 | 111 | D97 Y101 W102 K103 E112 | D97-S99 VanDerWaalsContact C-N 3.33Å; S99-Y101 VanDerWaalsContact C-N 3.34Å; S99-Y101 PolarHBondContact O-N 3.02Å; S99-W102 PolarHBondContact O-N 3.42Å; S99-K103 WeakPolarHBondContact O-CB 3.27Å; S99-K103 WeakPolarHBondContact O-CD 3.41Å; S99-K103 VanDerWaalsContact O-CG 3.26Å; S99-K103 WeakPolarHBondContact O-CG 3.34Å; S99-K103 PolarHBondContact O-N 3.48Å; S99-K103 WeakPolarHBondContact OG-CE 3.29Å; S99-K103 PolarHBondContact OG-NZ 2.67Å; S99-E112 WeakPolarHBondContact CB-O 3.37Å; S99-E112 PolarHBondContact OG-OE2 3.33Å |
| 100 | S | 98.8 | Very high | 98.6 | Very high | 64 Ų | 64 | 44.6 Ų | 44.6 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 176.5 | -61 | 0 | 0 | 0 | 0 | 112.1 | D97 K103 G104 | D97-S100 VanDerWaalsContact CG-CB 3.43Å; D97-S100 VanDerWaalsContact OD1-CB 3.23Å; D97-S100 WeakPolarHBondContact OD1-CB 3.49Å; D97-S100 PolarHBondContact OD1-N 2.84Å; D97-S100 PolarHBondContact OD1-OG 2.83Å; D97-S100 WeakPolarHBondContact OD2-CB 3.37Å; D97-S100 PolarHBondContact OD2-OG 3.12Å; S100-K103 PolarHBondContact O-N 2.76Å; S100-G104 PolarHBondContact O-N 3.1Å |
| 101 | Y | 98.8 | Very high | 98.6 | Very high | 20 Ų | 20 | 46 Ų | 46 | 8% | 0.078 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.3 | -52.1 | 176.8 | 171.4 | -99.7 | 0 | 0 | 0 | 111.9 | D41 R44 A48 V51 D97 T98 S99 G104 L105 L134 | D41-Y101 WeakPolarHBondContact CB-OH 3.41Å; D41-Y101 PolarHBondContact OD2-OH 3.44Å; R44-Y101 PolarHBondContact NH2-OH 2.83Å; A48-Y101 HydrophobicContact CB-CE1 4.34Å; A48-Y101 HydrophobicContact CB-CE2 3.88Å; V51-Y101 HydrophobicContact CG2-CD2 3.44Å; V51-Y101 VanDerWaalsContact CG2-CD2 3.44Å; V51-Y101 HydrophobicContact CG2-CE2 3.87Å; V51-Y101 HydrophobicContact CG2-CG 3.83Å; D97-Y101 PolarHBondContact O-N 2.92Å; T98-Y101 PolarHBondContact O-N 2.87Å; S99-Y101 VanDerWaalsContact C-N 3.34Å; S99-Y101 PolarHBondContact O-N 3.02Å; Y101-G104 PolarHBondContact O-N 3.31Å; Y101-L105 HydrophobicContact CE1-CD1 3.91Å; Y101-L105 HydrophobicContact CE2-CD1 4.22Å; Y101-L105 PolarHBondContact O-N 3.06Å; Y101-L134 HydrophobicContact CD1-CD1 4.32Å; Y101-L134 HydrophobicContact CE1-CD1 4.46Å |
| 102 | W | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.5 | -40.3 | -179.6 | -70.8 | 125.1 | 0 | 0 | 0 | 113 | D41 V43 T98 S99 G104 L105 G106 L107 P109 L134 S135 P136 | D41-W102 WeakPolarHBondContact OD1-CH2 3.26Å; D41-W102 WeakPolarHBondContact OD2-CH2 3.46Å; D41-W102 WeakPolarHBondContact OD2-CZ3 3.47Å; V43-W102 HydrophobicContact CB-CH2 4.32Å; V43-W102 HydrophobicContact CB-CZ3 4.5Å; V43-W102 HydrophobicContact CG2-CH2 3.94Å; V43-W102 HydrophobicContact CG2-CZ3 4.33Å; T98-W102 PolarHBondContact O-N 3.06Å; S99-W102 PolarHBondContact O-N 3.42Å; W102-G104 VanDerWaalsContact C-N 3.29Å; W102-G104 PolarHBondContact O-N 3.37Å; W102-L105 HydrophobicContact CE3-CD1 4.04Å; W102-L105 HydrophobicContact CZ3-CD1 4.09Å; W102-L105 CarbonylContact O-C 3.57Å; W102-L105 WeakPolarHBondContact O-CA 3.37Å; W102-L105 PolarHBondContact O-N 3.48Å; W102-G106 PolarHBondContact O-N 3.12Å; W102-L107 CarbonylContact C-O 3.57Å; W102-L107 HydrophobicContact CB-CB 4.42Å; W102-L107 HydrophobicContact CE3-CD1 3.76Å; W102-L107 HydrophobicContact CZ3-CD1 3.94Å; W102-L107 PolarHBondContact O-N 3.12Å; W102-P109 HydrophobicContact CB-CB 3.79Å; W102-P109 HydrophobicContact CB-CG 4.01Å; W102-P109 HydrophobicContact CG-CB 4.06Å; W102-L134 HydrophobicContact CZ2-CB 3.61Å; W102-S135 VanDerWaalsContact CZ2-C 3.46Å; W102-S135 PolarHBondContact NE1-O 3.46Å; W102-P136 HydrophobicContact CD2-CB 4.49Å; W102-P136 HydrophobicContact CD2-CG 4.06Å; W102-P136 HydrophobicContact CE3-CG 4.13Å; W102-P136 HydrophobicContact CH2-CG 4.36Å; W102-P136 HydrophobicContact CZ2-CG 4.31Å; W102-P136 HydrophobicContact CZ3-CG 4.29Å |
| 103 | K | 98.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 54.9 Ų | 54.9 | 52% | 0.517 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 174.9 | -74.5 | 168.5 | 179.4 | 159.8 | 0 | 111.6 | S99 S100 L105 G106 P109 | S99-K103 WeakPolarHBondContact O-CB 3.27Å; S99-K103 WeakPolarHBondContact O-CD 3.41Å; S99-K103 VanDerWaalsContact O-CG 3.26Å; S99-K103 WeakPolarHBondContact O-CG 3.34Å; S99-K103 PolarHBondContact O-N 3.48Å; S99-K103 WeakPolarHBondContact OG-CE 3.29Å; S99-K103 PolarHBondContact OG-NZ 2.67Å; S100-K103 PolarHBondContact O-N 2.76Å; K103-L105 PolarHBondContact O-N 2.94Å; K103-G106 PolarHBondContact O-N 3.39Å; K103-P109 HydrophobicContact CG-CG 4.27Å |
| 104 | G | 98.3 | Very high | 98.6 | Very high | 70 Ų | 70 | 53.1 Ų | 53.1 | 72% | 0.722 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.3 | -23.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S100 Y101 W102 | S100-G104 PolarHBondContact O-N 3.1Å; Y101-G104 PolarHBondContact O-N 3.31Å; W102-G104 VanDerWaalsContact C-N 3.29Å; W102-G104 PolarHBondContact O-N 3.37Å |
| 105 | L | 97.9 | Very high | 98.6 | Very high | 72 Ų | 72 | 55.6 Ų | 55.6 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 5.6 | 173.3 | -61.8 | 176.8 | 0 | 0 | 0 | 113.3 | Y101 W102 K103 L107 | Y101-L105 HydrophobicContact CE1-CD1 3.91Å; Y101-L105 HydrophobicContact CE2-CD1 4.22Å; Y101-L105 PolarHBondContact O-N 3.06Å; W102-L105 HydrophobicContact CE3-CD1 4.04Å; W102-L105 HydrophobicContact CZ3-CD1 4.09Å; W102-L105 CarbonylContact O-C 3.57Å; W102-L105 WeakPolarHBondContact O-CA 3.37Å; W102-L105 PolarHBondContact O-N 3.48Å; K103-L105 PolarHBondContact O-N 2.94Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.24Å |
| 106 | G | 98.3 | Very high | 98.6 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 71% | 0.711 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 16.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | W102 K103 | W102-G106 PolarHBondContact O-N 3.12Å; K103-G106 PolarHBondContact O-N 3.39Å |
| 107 | L | 98.2 | Very high | 98.6 | Very high | 69 Ų | 69 | 59 Ų | 59 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | trans | -100.1 | 147.8 | 176.7 | -61.9 | 179.7 | 0 | 0 | 0 | 110.5 | W102 L105 P109 P136 | W102-L107 CarbonylContact C-O 3.57Å; W102-L107 HydrophobicContact CB-CB 4.42Å; W102-L107 HydrophobicContact CE3-CD1 3.76Å; W102-L107 HydrophobicContact CZ3-CD1 3.94Å; W102-L107 PolarHBondContact O-N 3.12Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.24Å; L107-P109 WeakPolarHBondContact O-CD 3.49Å; L107-P136 HydrophobicContact CD1-CG 3.99Å | ||
| 108 | S | 98.3 | Very high | 98.5 | Very high | 94 Ų | 94 | 58 Ų | 58 | 66% | 0.657 | 33% | 0.332 | S | S | * | . | trans | -88.3 | 109.5 | 172.6 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | F137 | S108-F137 WeakPolarHBondContact O-CE2 3.45Š| ||
| 109 | P | 98.5 | Very high | 98.5 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 13% | 0.13 | 35% | 0.352 | C | S | . | . | trans | -79.2 | 159.1 | 173.9 | 32.9 | -34.4 | 0 | 0 | 0 | 111.7 | W102 K103 L107 P136 | W102-P109 HydrophobicContact CB-CB 3.79Å; W102-P109 HydrophobicContact CB-CG 4.01Å; W102-P109 HydrophobicContact CG-CB 4.06Å; K103-P109 HydrophobicContact CG-CG 4.27Å; L107-P109 WeakPolarHBondContact O-CD 3.49Å; P109-P136 WeakPolarHBondContact CA-O 3.43Å | ||
| 110 | F | 98.8 | Very high | 98.4 | Very high | 140 Ų | 140 | 61.1 Ų | 61.1 | 61% | 0.614 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -89.9 | -44.7 | 170.5 | 180 | -100.4 | 0 | 0 | 0 | 112.6 | P136 F137 | F110-P136 PolarHBondContact N-O 2.78Å; F110-F137 HydrophobicContact CB-CB 4.37Å; F110-F137 HydrophobicContact CB-CD1 3.58Å; F110-F137 HydrophobicContact CB-CE1 3.92Å; F110-F137 HydrophobicContact CB-CG 3.99Å; F110-F137 HydrophobicContact CD2-CD1 4.06Å; F110-F137 HydrophobicContact CD2-CE1 4.12Å; F110-F137 HydrophobicContact CG-CD1 4.06Å; F110-F137 HydrophobicContact CG-CE1 4.43Å |
| 111 | H | 98.8 | Very high | 98.2 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 22% | 0.222 | 33% | 0.332 | C | S | . | . | trans | -84.7 | 140.2 | -176.4 | -52.9 | 89.5 | 0 | 0 | 0 | 110.6 | Y139 | H111-Y139 AromaticContact CD2-CE1 3.77Å; H111-Y139 AromaticContact NE2-CE1 3.92Å | ||
| 112 | E | 98.6 | Very high | 97.8 | Very high | 129 Ų | 129 | 61.5 Ų | 61.5 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -74.5 | -29.9 | 173.1 | -70.3 | -57.1 | 157.3 | 0 | 0 | 112.7 | S99 | S99-E112 WeakPolarHBondContact CB-O 3.37Å; S99-E112 PolarHBondContact OG-OE2 3.33Å |
| 113 | Y | 98.8 | Very high | 97.3 | Very high | 102 Ų | 102 | 66 Ų | 66 | 40% | 0.4 | 38% | 0.382 | S | S | . | . | trans | -161.8 | 168.8 | 170.4 | 51.3 | -94.9 | 0 | 0 | 0 | 108 | E95 F96 T98 D115 | E95-Y113 HydrophobicContact CG-CD2 3.84Å; E95-Y113 HydrophobicContact CG-CG 3.97Å; F96-Y113 WeakPolarHBondContact O-CA 3.48Å; F96-Y113 VanDerWaalsContact O-CB 3.26Å; F96-Y113 WeakPolarHBondContact O-CB 3.31Å; T98-Y113 WeakPolarHBondContact OG1-CA 3.26Å; Y113-D115 HydrophobicContact CD2-CB 4.21Å; Y113-D115 HydrophobicContact CE2-CB 4.23Å | ||
| 114 | A | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | F96 T98 Y139 | F96-A114 HydrophobicContact CB-CB 4.45Å; F96-A114 WeakPolarHBondContact CD2-O 3.42Å; F96-A114 PolarHBondContact N-O 3.46Å; F96-A114 PolarHBondContact O-N 3.42Å; T98-A114 HydrophobicContact CG2-CB 3.81Å; A114-Y139 HydrophobicContact CB-CD1 3.89Å; A114-Y139 HydrophobicContact CB-CD2 3.79Å; A114-Y139 HydrophobicContact CB-CE1 3.88Å; A114-Y139 HydrophobicContact CB-CE2 3.77Å; A114-Y139 HydrophobicContact CB-CG 3.85Å |
| 115 | D | 98.2 | Very high | 96.4 | Very high | 52 Ų | 52 | 63.5 Ų | 63.5 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 156.3 | 175.3 | 70.2 | -17.3 | 0 | 0 | 0 | 113.3 | R93 V94 Y113 | R93-D115 HydrophobicContact CG-CB 4.21Å; V94-D115 CarbonylContact O-C 3.58Å; V94-D115 WeakPolarHBondContact O-CA 3.23Å; Y113-D115 HydrophobicContact CD2-CB 4.21Å; Y113-D115 HydrophobicContact CE2-CB 4.23Å |
| 116 | V | 98.7 | Very high | 96.1 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 15% | 0.145 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 118.6 | 176.6 | -172.9 | 0 | 0 | 0 | 0 | 107.5 | R93 V94 F96 F118 I130 T141 | R93-V116 CarbonylContact C-O 3.58Å; R93-V116 VanDerWaalsContact CA-O 3.3Å; R93-V116 WeakPolarHBondContact CA-O 3.5Å; V94-V116 PolarHBondContact N-O 2.89Å; V94-V116 PolarHBondContact O-N 2.85Å; F96-V116 HydrophobicContact CE2-CG2 4.12Å; V116-F118 HydrophobicContact CG1-CD1 4.22Å; V116-I130 HydrophobicContact CB-CG2 4.1Å; V116-I130 HydrophobicContact CG1-CG2 4.14Å; V116-I130 HydrophobicContact CG2-CG2 3.8Å; V116-T141 HydrophobicContact CG2-CG2 4Å; V116-T141 VanDerWaalsContact CG2-OG1 3.26Å; V116-T141 WeakPolarHBondContact CG2-OG1 3.23Å |
| 117 | V | 98.7 | Very high | 95.9 | Very high | 79 Ų | 79 | 60 Ų | 60 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.3 | 178.7 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | W64 V91 Y92 R93 | W64-V117 HydrophobicContact CH2-CG1 3.79Å; W64-V117 HydrophobicContact CH2-CG2 4.48Å; W64-V117 HydrophobicContact CZ2-CG1 4.2Å; W64-V117 HydrophobicContact CZ2-CG2 4.41Å; V91-V117 HydrophobicContact CG1-CG1 3.79Å; Y92-V117 WeakPolarHBondContact O-CA 3.19Å; R93-V117 HydrophobicContact CB-CG2 4.02Å; R93-V117 HydrophobicContact CG-CG2 3.79Å |
| 118 | F | 98.4 | Very high | 95.7 | Very high | 32 Ų | 32 | 57.2 Ų | 57.2 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 156.7 | -175.7 | 63.1 | -80.4 | 0 | 0 | 0 | 112.3 | L35 F87 V91 Y92 V94 V116 A120 Y128 I130 | L35-F118 HydrophobicContact CD1-CZ 4.05Å; F87-F118 HydrophobicContact CZ-CE2 4.14Å; F87-F118 HydrophobicContact CZ-CZ 4.41Å; V91-F118 CarbonylContact C-O 3.51Å; V91-F118 WeakPolarHBondContact CA-O 3.45Å; Y92-F118 PolarHBondContact N-O 3.06Å; Y92-F118 PolarHBondContact O-N 2.94Å; V94-F118 HydrophobicContact CG2-CE1 3.96Å; V116-F118 HydrophobicContact CG1-CD1 4.22Å; F118-A120 HydrophobicContact CD2-CB 4.27Å; F118-A120 HydrophobicContact CE2-CB 3.97Å; F118-Y128 HydrophobicContact CD2-CD1 4.26Å; F118-Y128 HydrophobicContact CD2-CE1 4.26Å; F118-Y128 AromaticContact CE2-CD1 3.95Å; F118-Y128 HydrophobicContact CE2-CD1 3.95Å; F118-Y128 HydrophobicContact CE2-CE1 4.25Å; F118-Y128 HydrophobicContact CE2-CG 4.35Å; F118-I130 HydrophobicContact CD1-CD1 4.43Å; F118-I130 HydrophobicContact CE1-CD1 4.09Å; F118-I130 HydrophobicContact CE1-CG1 4.24Å; F118-I130 HydrophobicContact CZ-CD1 4.25Å; F118-I130 HydrophobicContact CZ-CG1 4.41Å |
| 119 | T | 98.1 | Very high | 95.7 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 130.6 | 168.5 | -56.1 | 0 | 0 | 0 | 0 | 109 | G90 D122 | G90-T119 WeakPolarHBondContact O-CA 3.47Å; T119-D122 HydrophobicContact CG2-CB 4.11Å |
| 120 | A | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 148.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F87 E89 G90 Y92 F118 D122 Y128 | F87-A120 HydrophobicContact CE1-CB 3.83Å; F87-A120 HydrophobicContact CE2-CB 4.18Å; F87-A120 HydrophobicContact CZ-CB 3.47Å; F87-A120 VanDerWaalsContact CZ-CB 3.47Å; E89-A120 WeakPolarHBondContact CA-O 3.36Å; G90-A120 PolarHBondContact N-O 3.03Å; G90-A120 PolarHBondContact O-N 3.14Å; Y92-A120 HydrophobicContact CD2-CB 3.67Å; Y92-A120 HydrophobicContact CE2-CB 3.79Å; F118-A120 HydrophobicContact CD2-CB 4.27Å; F118-A120 HydrophobicContact CE2-CB 3.97Å; A120-D122 PolarHBondContact O-N 2.99Å; A120-D122 VanDerWaalsContact O-N 3.09Å; A120-Y128 WeakPolarHBondContact CA-OH 3.25Å; A120-Y128 HydrophobicContact CB-CE2 4.21Å |
| 121 | N | 94.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.043 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 57 | 21.5 | 166.2 | -53 | -40.8 | 0 | 0 | 0 | 117.7 | F87 S123 G124 R126 Y128 | F87-N121 WeakPolarHBondContact CD1-ND2 3.32Å; F87-N121 WeakPolarHBondContact CE1-ND2 3.39Å; F87-N121 PolarHBondContact O-ND2 3.02Å; N121-S123 PolarHBondContact O-N 3.32Å; N121-G124 VanDerWaalsContact CA-O 3.24Å; N121-G124 WeakPolarHBondContact CA-O 3.22Å; N121-G124 PolarHBondContact O-N 3.45Å; N121-G124 PolarHBondContact OD1-O 3.28Å; N121-R126 PolarHBondContact OD1-N 3.26Å; N121-Y128 PolarHBondContact N-OH 3.47Å; N121-Y128 WeakPolarHBondContact OD1-CE2 3.13Å |
| 122 | D | 89.4 | Confident | 95.7 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 45% | 0.449 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.2 | 174.3 | 63.5 | -20.8 | 0 | 0 | 0 | 114.6 | T119 A120 R126 | T119-D122 HydrophobicContact CG2-CB 4.11Å; A120-D122 PolarHBondContact O-N 2.99Å; A120-D122 VanDerWaalsContact O-N 3.09Å; D122-R126 IonicContact OD1-CZ 3.88Å; D122-R126 IonicContact OD1-NH2 2.83Å; D122-R126 PolarHBondContact OD1-NH2 2.96Å |
| 123 | S | 88.1 | Confident | 95.7 | Very high | 100 Ų | 100 | 42.9 Ų | 42.9 | 70% | 0.699 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | 26.4 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | N121 | N121-S123 PolarHBondContact O-N 3.32Š|
| 124 | G | 87.9 | Confident | 95.7 | Very high | 38 Ų | 38 | 38 Ų | 38 | 39% | 0.392 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 102 | 171.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | N121 R126 | N121-G124 VanDerWaalsContact CA-O 3.24Å; N121-G124 WeakPolarHBondContact CA-O 3.22Å; N121-G124 PolarHBondContact O-N 3.45Å; N121-G124 PolarHBondContact OD1-O 3.28Å; G124-R126 PolarHBondContact O-N 3.03Å |
| 125 | H | 89.3 | Confident | 95.7 | Very high | 98 Ų | 98 | 40 Ų | 40 | 45% | 0.454 | 23% | 0.234 | S | C | . | . | trans | -63.9 | 130.2 | -178 | -71.1 | -76.7 | 0 | 0 | 0 | 111 | E84 P148 | E84-H125 PolarHBondContact O-CE1 2.87Å; H125-P148 HydrophobicContact CB-CG 4.3Å; H125-P148 WeakPolarHBondContact O-CD 3.21Å; H125-P148 WeakPolarHBondContact O-CG 3.34Å | ||
| 126 | R | 92.3 | Very high | 95.7 | Very high | 63 Ų | 63 | 38.5 Ų | 38.5 | 24% | 0.238 | 23% | 0.228 | C | C | . | . | trans | -135.6 | 159.8 | 173.8 | -68.6 | 179.4 | -66.5 | -173 | -8.4 | 109.8 | N121 D122 G124 Y128 V145 S146 | N121-R126 PolarHBondContact OD1-N 3.26Å; D122-R126 IonicContact OD1-CZ 3.88Å; D122-R126 IonicContact OD1-NH2 2.83Å; D122-R126 PolarHBondContact OD1-NH2 2.96Å; G124-R126 PolarHBondContact O-N 3.03Å; R126-Y128 HydrophobicContact CB-CD2 4.45Å; R126-Y128 HydrophobicContact CB-CE2 3.71Å; R126-Y128 PolarHBondContact NE-OH 2.59Å; R126-Y128 VanDerWaalsContact NE-OH 3.16Å; R126-Y128 PolarHBondContact NH2-OH 2.71Å; R126-Y128 WeakPolarHBondContact O-CD2 3.48Å; R126-Y128 WeakPolarHBondContact O-CE2 3.4Å; R126-V145 HydrophobicContact CB-CG1 3.93Å; R126-V145 HydrophobicContact CG-CG1 4.42Å; R126-S146 WeakPolarHBondContact CA-O 3.39Å | ||
| 127 | H | 93.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.023 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.1 | 173.8 | -62.1 | 167.8 | 0 | 0 | 0 | 110.2 | S31 E84 V145 S146 | S31-H127 VanDerWaalsContact C-CE1 3.49Å; S31-H127 PolarHBondContact O-CE1 2.89Å; E84-H127 IonicContact OE1-CD2 2.67Å; E84-H127 IonicContact OE1-CE1 3.98Å; E84-H127 IonicContact OE1-NE2 3.51Å; E84-H127 PolarHBondContact OE1-NE2 3.06Å; H127-V145 WeakPolarHBondContact O-CA 3.33Å; H127-S146 PolarHBondContact N-O 2.82Å; H127-S146 PolarHBondContact O-N 2.96Å |
| 128 | Y | 96 | Very high | 95.7 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.3 | -173.4 | -64.8 | -103.2 | 0 | 0 | 0 | 110 | P34 L35 M36 F87 F118 A120 N121 R126 V145 | P34-Y128 PolarHBondContact O-N 2.98Å; L35-Y128 WeakPolarHBondContact CA-O 3.32Å; M36-Y128 PolarHBondContact N-O 3.36Å; F87-Y128 AromaticContact CE1-CD2 3.63Å; F87-Y128 HydrophobicContact CE1-CD2 3.63Å; F87-Y128 AromaticContact CE1-CE2 3.85Å; F87-Y128 HydrophobicContact CE1-CE2 3.85Å; F87-Y128 HydrophobicContact CE1-CG 4.49Å; F87-Y128 HydrophobicContact CZ-CD2 4.25Å; F118-Y128 HydrophobicContact CD2-CD1 4.26Å; F118-Y128 HydrophobicContact CD2-CE1 4.26Å; F118-Y128 AromaticContact CE2-CD1 3.95Å; F118-Y128 HydrophobicContact CE2-CD1 3.95Å; F118-Y128 HydrophobicContact CE2-CE1 4.25Å; F118-Y128 HydrophobicContact CE2-CG 4.35Å; A120-Y128 WeakPolarHBondContact CA-OH 3.25Å; A120-Y128 HydrophobicContact CB-CE2 4.21Å; N121-Y128 PolarHBondContact N-OH 3.47Å; N121-Y128 WeakPolarHBondContact OD1-CE2 3.13Å; R126-Y128 HydrophobicContact CB-CD2 4.45Å; R126-Y128 HydrophobicContact CB-CE2 3.71Å; R126-Y128 PolarHBondContact NE-OH 2.59Å; R126-Y128 VanDerWaalsContact NE-OH 3.16Å; R126-Y128 PolarHBondContact NH2-OH 2.71Å; R126-Y128 WeakPolarHBondContact O-CD2 3.48Å; R126-Y128 WeakPolarHBondContact O-CE2 3.4Å; Y128-V145 HydrophobicContact CD1-CG1 4.17Å; Y128-V145 HydrophobicContact CD1-CG2 3.69Å; Y128-V145 HydrophobicContact CE1-CG1 3.89Å; Y128-V145 HydrophobicContact CE1-CG2 3.86Å |
| 129 | T | 97.1 | Very high | 95.7 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 15% | 0.153 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 113.3 | 164.3 | -63.9 | 0 | 0 | 0 | 0 | 108.9 | M36 A143 V144 | M36-T129 HydrophobicContact CE-CG2 3.39Å; M36-T129 VanDerWaalsContact CE-OG1 3.31Å; M36-T129 WeakPolarHBondContact CE-OG1 3.38Å; M36-T129 WeakPolarHBondContact O-CA 3.4Å; M36-T129 HydrophobicContact SD-CG2 3.73Å; T129-A143 WeakPolarHBondContact O-CA 3.45Å; T129-V144 PolarHBondContact N-O 2.85Å; T129-V144 PolarHBondContact O-N 2.81Å |
| 130 | I | 98.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 109.5 | 173.4 | -51.5 | -56.2 | 0 | 0 | 0 | 108.4 | L35 M36 V37 K38 F96 V116 F118 A143 | L35-I130 HydrophobicContact CD1-CG1 3.99Å; M36-I130 PolarHBondContact O-N 3.44Å; V37-I130 CarbonylContact C-O 3.59Å; V37-I130 VanDerWaalsContact CA-O 3.27Å; V37-I130 WeakPolarHBondContact CA-O 3.4Å; V37-I130 HydrophobicContact CG1-CB 4.31Å; K38-I130 PolarHBondContact N-O 2.9Å; F96-I130 HydrophobicContact CE2-CG2 4.32Å; F96-I130 HydrophobicContact CZ-CG2 4.12Å; V116-I130 HydrophobicContact CB-CG2 4.1Å; V116-I130 HydrophobicContact CG1-CG2 4.14Å; V116-I130 HydrophobicContact CG2-CG2 3.8Å; F118-I130 HydrophobicContact CD1-CD1 4.43Å; F118-I130 HydrophobicContact CE1-CD1 4.09Å; F118-I130 HydrophobicContact CE1-CG1 4.24Å; F118-I130 HydrophobicContact CZ-CD1 4.25Å; F118-I130 HydrophobicContact CZ-CG1 4.41Å; I130-A143 HydrophobicContact CD1-CB 4.03Å |
| 131 | A | 98.4 | Very high | 95.8 | Very high | 25 Ų | 25 | 48 Ų | 48 | 21% | 0.207 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 139.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | K38 T141 T142 | K38-A131 CarbonylContact O-C 3.38Å; K38-A131 WeakPolarHBondContact O-CA 3.34Å; A131-T141 CarbonylContact O-C 3.47Å; A131-T141 VanDerWaalsContact O-CA 3.22Å; A131-T141 WeakPolarHBondContact O-CA 3.46Å; A131-T141 PolarHBondContact O-OG1 2.88Å; A131-T141 VanDerWaalsContact O-OG1 3.06Å; A131-T142 HydrophobicContact CB-CG2 3.85Å; A131-T142 PolarHBondContact N-O 2.93Å; A131-T142 PolarHBondContact O-N 2.81Å |
| 132 | A | 98.8 | Very high | 96 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K38 V39 L40 F96 L134 S140 | K38-A132 PolarHBondContact O-N 2.67Å; V39-A132 CarbonylContact C-O 3.51Å; V39-A132 WeakPolarHBondContact CA-O 3.46Å; V39-A132 HydrophobicContact CG1-CB 4.31Å; L40-A132 PolarHBondContact N-O 2.76Å; F96-A132 HydrophobicContact CE2-CB 4.49Å; F96-A132 HydrophobicContact CZ-CB 4.45Å; A132-L134 HydrophobicContact CB-CD2 4.18Å; A132-S140 CarbonylContact C-O 3.59Å; A132-S140 WeakPolarHBondContact CA-O 3.37Å |
| 133 | L | 98.9 | Very high | 96.4 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 38% | 0.382 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 119.5 | 172.1 | 178.3 | 67.7 | 0 | 0 | 0 | 108.5 | L40 A42 Y139 S140 | L40-L133 HydrophobicContact CB-CD1 3.62Å; A42-L133 HydrophobicContact CB-CD1 3.8Å; A42-L133 HydrophobicContact CB-CD2 4.44Å; A42-L133 HydrophobicContact CB-CG 4.02Å; L133-Y139 CarbonylContact O-C 3.6Å; L133-Y139 VanDerWaalsContact O-CA 3.25Å; L133-Y139 WeakPolarHBondContact O-CA 3.38Å; L133-S140 PolarHBondContact N-O 2.79Å; L133-S140 PolarHBondContact O-N 3.36Å |
| 134 | L | 98.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 137.5 | -168.1 | -52.3 | -175.5 | 0 | 0 | 0 | 111.9 | V39 L40 A42 T98 Y101 W102 A132 | V39-L134 HydrophobicContact CG1-CD1 3.47Å; V39-L134 VanDerWaalsContact CG1-CD1 3.47Å; V39-L134 HydrophobicContact CG1-CD2 4.41Å; V39-L134 HydrophobicContact CG1-CG 3.74Å; L40-L134 PolarHBondContact O-N 3.29Å; A42-L134 WeakPolarHBondContact CB-O 3.4Å; A42-L134 PolarHBondContact N-O 3.26Å; T98-L134 HydrophobicContact CG2-CD1 3.82Å; T98-L134 HydrophobicContact CG2-CD2 3.79Å; T98-L134 HydrophobicContact CG2-CG 4.45Å; Y101-L134 HydrophobicContact CD1-CD1 4.32Å; Y101-L134 HydrophobicContact CE1-CD1 4.46Å; W102-L134 HydrophobicContact CZ2-CB 3.61Å; A132-L134 HydrophobicContact CB-CD2 4.18Å |
| 135 | S | 98.8 | Very high | 97.1 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 159.7 | 158.9 | -68.8 | 0 | 0 | 0 | 0 | 108.7 | W102 F137 S138 | W102-S135 VanDerWaalsContact CZ2-C 3.46Å; W102-S135 PolarHBondContact NE1-O 3.46Å; S135-F137 PolarHBondContact O-N 3.06Å; S135-F137 VanDerWaalsContact O-N 3.14Å; S135-S138 CarbonylContact C-O 3.41Å; S135-S138 WeakPolarHBondContact CA-O 3.41Å; S135-S138 WeakPolarHBondContact CB-O 3.33Å; S135-S138 PolarHBondContact N-O 2.89Å; S135-S138 PolarHBondContact O-N 3.46Å |
| 136 | P | 98.6 | Very high | 97.2 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -32.1 | -177.2 | -27.2 | 34.3 | 0 | 0 | 0 | 114 | V43 W102 L107 P109 F110 | V43-P136 VanDerWaalsContact CG2-CD 3.5Å; V43-P136 HydrophobicContact CG2-CG 4.23Å; W102-P136 HydrophobicContact CD2-CB 4.49Å; W102-P136 HydrophobicContact CD2-CG 4.06Å; W102-P136 HydrophobicContact CE3-CG 4.13Å; W102-P136 HydrophobicContact CH2-CG 4.36Å; W102-P136 HydrophobicContact CZ2-CG 4.31Å; W102-P136 HydrophobicContact CZ3-CG 4.29Å; L107-P136 HydrophobicContact CD1-CG 3.99Å; P109-P136 WeakPolarHBondContact CA-O 3.43Å; F110-P136 PolarHBondContact N-O 2.78Å |
| 137 | F | 98.7 | Very high | 97 | Very high | 141 Ų | 141 | 51.1 Ų | 51.1 | 62% | 0.618 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 8 | -177.9 | -74 | -102.6 | 0 | 0 | 0 | 114.2 | S108 F110 S135 | S108-F137 WeakPolarHBondContact O-CE2 3.45Å; F110-F137 HydrophobicContact CB-CB 4.37Å; F110-F137 HydrophobicContact CB-CD1 3.58Å; F110-F137 HydrophobicContact CB-CE1 3.92Å; F110-F137 HydrophobicContact CB-CG 3.99Å; F110-F137 HydrophobicContact CD2-CD1 4.06Å; F110-F137 HydrophobicContact CD2-CE1 4.12Å; F110-F137 HydrophobicContact CG-CD1 4.06Å; F110-F137 HydrophobicContact CG-CE1 4.43Å; S135-F137 PolarHBondContact O-N 3.06Å; S135-F137 VanDerWaalsContact O-N 3.14Å |
| 138 | S | 98.8 | Very high | 96 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 49% | 0.49 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 147.1 | -180 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | S135 | S135-S138 CarbonylContact C-O 3.41Å; S135-S138 WeakPolarHBondContact CA-O 3.41Å; S135-S138 WeakPolarHBondContact CB-O 3.33Å; S135-S138 PolarHBondContact N-O 2.89Å; S135-S138 PolarHBondContact O-N 3.46Å |
| 139 | Y | 98.8 | Very high | 94.5 | Very high | 71 Ų | 71 | 59.2 Ų | 59.2 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 154.7 | 160.9 | 66.7 | -85.5 | 0 | 0 | 0 | 109 | H111 A114 L133 | H111-Y139 AromaticContact CD2-CE1 3.77Å; H111-Y139 AromaticContact NE2-CE1 3.92Å; A114-Y139 HydrophobicContact CB-CD1 3.89Å; A114-Y139 HydrophobicContact CB-CD2 3.79Å; A114-Y139 HydrophobicContact CB-CE1 3.88Å; A114-Y139 HydrophobicContact CB-CE2 3.77Å; A114-Y139 HydrophobicContact CB-CG 3.85Å; L133-Y139 CarbonylContact O-C 3.6Å; L133-Y139 VanDerWaalsContact O-CA 3.25Å; L133-Y139 WeakPolarHBondContact O-CA 3.38Å |
| 140 | S | 98.8 | Very high | 92.3 | Very high | 65 Ų | 65 | 70.8 Ų | 70.8 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 149 | 163.4 | 65.2 | 0 | 0 | 0 | 0 | 109.1 | A132 L133 | A132-S140 CarbonylContact C-O 3.59Å; A132-S140 WeakPolarHBondContact CA-O 3.37Å; L133-S140 PolarHBondContact N-O 2.79Å; L133-S140 PolarHBondContact O-N 3.36Å |
| 141 | T | 98.8 | Very high | 92 | Very high | 62 Ų | 62 | 74.2 Ų | 74.2 | 38% | 0.38 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 145.9 | 175.5 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | V116 A131 | V116-T141 HydrophobicContact CG2-CG2 4Å; V116-T141 VanDerWaalsContact CG2-OG1 3.26Å; V116-T141 WeakPolarHBondContact CG2-OG1 3.23Å; A131-T141 CarbonylContact O-C 3.47Å; A131-T141 VanDerWaalsContact O-CA 3.22Å; A131-T141 WeakPolarHBondContact O-CA 3.46Å; A131-T141 PolarHBondContact O-OG1 2.88Å; A131-T141 VanDerWaalsContact O-OG1 3.06Å |
| 142 | T | 98.6 | Very high | 91.7 | Very high | 89 Ų | 89 | 76.8 Ų | 76.8 | 55% | 0.546 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 160.5 | 174 | -169.2 | 0 | 0 | 0 | 0 | 109.5 | A131 | A131-T142 HydrophobicContact CB-CG2 3.85Å; A131-T142 PolarHBondContact N-O 2.93Å; A131-T142 PolarHBondContact O-N 2.81Å |
| 143 | A | 98 | Very high | 91.3 | Very high | 54 Ų | 54 | 80.8 Ų | 80.8 | 45% | 0.446 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | T129 I130 V145 | T129-A143 WeakPolarHBondContact O-CA 3.45Å; I130-A143 HydrophobicContact CD1-CB 4.03Å; A143-V145 HydrophobicContact CB-CG2 4.38Å |
| 144 | V | 96.6 | Very high | 90.9 | Very high | 89 Ų | 89 | 81.2 Ų | 81.2 | 54% | 0.539 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.8 | 162.3 | -176.2 | 0 | 0 | 0 | 0 | 106.6 | T129 | T129-V144 PolarHBondContact N-O 2.85Å; T129-V144 PolarHBondContact O-N 2.81Å |
| 145 | V | 94.6 | Very high | 90.4 | Very high | 64 Ų | 64 | 86.3 Ų | 86.3 | 39% | 0.388 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 126.3 | -179.3 | -172.6 | 0 | 0 | 0 | 0 | 108 | R126 H127 Y128 A143 | R126-V145 HydrophobicContact CB-CG1 3.93Å; R126-V145 HydrophobicContact CG-CG1 4.42Å; H127-V145 WeakPolarHBondContact O-CA 3.33Å; Y128-V145 HydrophobicContact CD1-CG1 4.17Å; Y128-V145 HydrophobicContact CD1-CG2 3.69Å; Y128-V145 HydrophobicContact CE1-CG1 3.89Å; Y128-V145 HydrophobicContact CE1-CG2 3.86Å; A143-V145 HydrophobicContact CB-CG2 4.38Å |
| 146 | S | 90.4 | Very high | 89.8 | Confident | 41 Ų | 41 | 89.3 Ų | 89.3 | 29% | 0.287 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 152 | 178.4 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | R126 H127 | R126-S146 WeakPolarHBondContact CA-O 3.39Å; H127-S146 PolarHBondContact N-O 2.82Å; H127-S146 PolarHBondContact O-N 2.96Å |
| 147 | D | 87.2 | Confident | 89.2 | Confident | 120 Ų | 120 | 94.1 Ų | 94.1 | 64% | 0.642 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -68 | 152.4 | 168.2 | -60.1 | -41.6 | 0 | 0 | 0 | 109.7 | Q149 | D147-Q149 PolarHBondContact O-N 3.31Š|
| 148 | P | 73.2 | Confident | 88.4 | Confident | 55 Ų | 55 | 90.5 Ų | 90.5 | 36% | 0.357 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 130 | 174.5 | -18.2 | 31 | 0 | 0 | 0 | 108.9 | H125 E150 | H125-P148 HydrophobicContact CB-CG 4.3Å; H125-P148 WeakPolarHBondContact O-CD 3.21Å; H125-P148 WeakPolarHBondContact O-CG 3.34Å; P148-E150 PolarHBondContact O-N 2.8Å |
| 149 | Q | 64.3 | Low | 87.6 | Confident | 129 Ų | 129 | 92.3 Ų | 92.3 | 60% | 0.603 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 123.6 | 171.2 | -65.5 | -165.2 | -3.5 | 0 | 0 | 108.6 | D147 | D147-Q149 PolarHBondContact O-N 3.31Š|
| 150 | E | 51.9 | Low | 86.6 | Confident | 268 Ų | 268 | 94.2 Ų | 94.2 | 100% | 1.252 | 54% | 0.536 | S | S | * | . | trans | -59 | 0 | 170.1 | -71.2 | -173.4 | 168.2 | 0 | 0 | 112.6 | P148 | P148-E150 PolarHBondContact O-N 2.8Š|
Retrieved 150 of 150 residues in 31.4 ms
(Link to these results)