| 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 | 35.6 | Very low | 33.7 | Very low | 251 Ų | 251 | 152.1 Ų | 152.1 | 100% | 1.236 | 86% | 0.858 | S | S | * | * | 0 | 117.5 | 0 | -151.4 | 167.9 | -168.3 | 0 | 0 | 106.7 | |||||
| 2 | L | 29.3 | Very low | 34.4 | Very low | 159 Ų | 159 | 152.2 Ų | 152.2 | 83% | 0.832 | 85% | 0.853 | S | S | * | * | trans | -78.6 | 164.7 | -174.6 | -79.9 | 157.7 | 0 | 0 | 0 | 112.4 | ||||
| 3 | L | 30.6 | Very low | 34.9 | Very low | 147 Ų | 147 | 149.8 Ų | 149.8 | 77% | 0.77 | 85% | 0.848 | S | S | * | * | trans | 94.9 | 107.1 | 157.4 | -51 | 177.9 | 0 | 0 | 0 | 115.4 | ||||
| 4 | L | 31.6 | Very low | 34.8 | Very low | 160 Ų | 160 | 156.6 Ų | 156.6 | 84% | 0.838 | 85% | 0.854 | S | S | * | * | 69.4 | 92 | 66.2 | -67.8 | 171.7 | 0 | 0 | 0 | 113.6 | |||||
| 5 | N | 33.7 | Very low | 34.9 | Very low | 171 Ų | 171 | 159.7 Ų | 159.7 | 91% | 0.914 | 86% | 0.856 | S | S | * | * | trans | -114.6 | 143.5 | 153.8 | -80.9 | -11.5 | 0 | 0 | 0 | 106.2 | ||||
| 6 | G | 32.4 | Very low | 35.1 | Very low | 77 Ų | 77 | 162.3 Ų | 162.3 | 79% | 0.794 | 86% | 0.857 | S | S | * | * | cis | 167 | 134.7 | 9.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 7 | N | 33.7 | Very low | 35 | Very low | 157 Ų | 157 | 161.8 Ų | 161.8 | 84% | 0.84 | 86% | 0.855 | S | S | * | * | trans | -81.5 | 158.1 | -153.3 | -162.1 | 18.3 | 0 | 0 | 0 | 115.9 | ||||
| 8 | S | 36 | Very low | 34.8 | Very low | 87 Ų | 87 | 162.4 Ų | 162.4 | 61% | 0.608 | 85% | 0.849 | S | S | * | * | trans | -20.5 | 124.7 | 170.8 | 61.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 9 | G | 34.2 | Very low | 34.6 | Very low | 80 Ų | 80 | 164.8 Ų | 164.8 | 83% | 0.825 | 85% | 0.853 | S | S | * | * | trans | -94.5 | 113.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 10 | K | 39.4 | Very low | 34.5 | Very low | 193 Ų | 193 | 162.6 Ų | 162.6 | 84% | 0.839 | 84% | 0.842 | S | S | * | * | trans | -117.3 | 116.4 | 164.9 | -76.9 | -172.3 | 179.1 | 177.7 | 0 | 109.1 | ||||
| 11 | M | 34.7 | Very low | 34.5 | Very low | 191 Ų | 191 | 163.4 Ų | 163.4 | 94% | 0.941 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -65 | 133.3 | 177 | -61.4 | 172.1 | 67.2 | 0 | 0 | 110.5 | ||
| 12 | L | 41.1 | Very low | 34.5 | Very low | 153 Ų | 153 | 159 Ų | 159 | 80% | 0.801 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 135.5 | 168.9 | -73.7 | 167 | 0 | 0 | 0 | 109.8 | ||
| 13 | P | 41.7 | Very low | 34.6 | Very low | 121 Ų | 121 | 160.1 Ų | 160.1 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82 | 129.1 | -175 | 31.2 | -31.6 | 0 | 0 | 0 | 111.6 | K15 | P13-K15 PolarHBondContact O-N 3.45Š|
| 14 | W | 33.4 | Very low | 34.9 | Very low | 245 Ų | 245 | 162.2 Ų | 162.2 | 93% | 0.928 | 83% | 0.834 | S | S | * | * | trans | -74.3 | 114.9 | 174.2 | -68.4 | 36.3 | 0 | 0 | 0 | 108.8 | K16 | W14-K16 PolarHBondContact O-N 3.27Š| ||
| 15 | K | 35.6 | Very low | 34.7 | Very low | 204 Ų | 204 | 162 Ų | 162 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | trans | -72 | 112.3 | 172 | -99.3 | -167.3 | 176.1 | -172.9 | 0 | 109.6 | P13 | P13-K15 PolarHBondContact O-N 3.45Š| ||
| 16 | K | 38.3 | Very low | 34.7 | Very low | 201 Ų | 201 | 162.4 Ų | 162.4 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -74.9 | 120 | 166.4 | -63.6 | 178.1 | 178.3 | 179.4 | 0 | 108.5 | W14 K18 | W14-K16 PolarHBondContact O-N 3.27Å; K16-K18 PolarHBondContact O-N 3.32Å | ||
| 17 | N | 33.5 | Very low | 34.5 | Very low | 154 Ų | 154 | 167.4 Ų | 167.4 | 82% | 0.824 | 83% | 0.829 | S | S | * | * | trans | -82.4 | 112.1 | 164.7 | -89.6 | -10.1 | 0 | 0 | 0 | 108.5 | ||||
| 18 | K | 32.3 | Very low | 34.3 | Very low | 173 Ų | 173 | 164.9 Ų | 164.9 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -83.9 | 120.1 | 172.3 | -158.9 | -179.4 | -176 | -169 | 0 | 106.8 | K16 D20 | K16-K18 PolarHBondContact O-N 3.32Å; K18-D20 PolarHBondContact O-N 3.03Å | ||
| 19 | F | 30.4 | Very low | 34 | Very low | 208 Ų | 208 | 170.5 Ų | 170.5 | 91% | 0.912 | 84% | 0.838 | S | S | * | * | trans | -75.7 | 106.8 | 168.5 | -85.1 | -95.6 | 0 | 0 | 0 | 107.3 | ||||
| 20 | D | 32.5 | Very low | 34 | Very low | 120 Ų | 120 | 176.2 Ų | 176.2 | 64% | 0.642 | 84% | 0.843 | S | S | * | * | trans | -97.6 | 121.3 | 165.3 | -77.8 | -30.7 | 0 | 0 | 0 | 108.6 | K18 | K18-D20 PolarHBondContact O-N 3.03Š| ||
| 21 | L | 33.4 | Very low | 33.7 | Very low | 179 Ų | 179 | 176.4 Ų | 176.4 | 94% | 0.937 | 84% | 0.844 | S | S | * | * | trans | -71.2 | 125 | 172.4 | -156.5 | 76.2 | 0 | 0 | 0 | 107.5 | ||||
| 22 | I | 35.8 | Very low | 33.5 | Very low | 160 Ų | 160 | 171.1 Ų | 171.1 | 82% | 0.821 | 84% | 0.839 | S | S | * | * | trans | -124.1 | 125.5 | 171.4 | -63 | 175.8 | 0 | 0 | 0 | 108.6 | ||||
| 23 | E | 32.3 | Very low | 33.3 | Very low | 182 Ų | 182 | 174.7 Ų | 174.7 | 85% | 0.85 | 84% | 0.843 | S | S | * | * | trans | -59.6 | 158.9 | 175.6 | -71.2 | 171.4 | 136.8 | 0 | 0 | 112.8 | ||||
| 24 | E | 35.8 | Very low | 32.9 | Very low | 191 Ų | 191 | 173.7 Ų | 173.7 | 89% | 0.893 | 85% | 0.845 | S | S | * | * | trans | -59 | 133.5 | 175.5 | -63.8 | -161.6 | 141.7 | 0 | 0 | 111.9 | ||||
| 25 | D | 28.8 | Very low | 33 | Very low | 154 Ų | 154 | 167.9 Ų | 167.9 | 82% | 0.824 | 84% | 0.836 | S | S | * | * | trans | -153.9 | 157.7 | 136.5 | -122.5 | -25.8 | 0 | 0 | 0 | 114.5 | ||||
| 26 | K | 32.7 | Very low | 33.3 | Very low | 181 Ų | 181 | 163.3 Ų | 163.3 | 79% | 0.787 | 83% | 0.83 | S | S | * | * | trans | -70.4 | 162.9 | -161.6 | -65.5 | 162.4 | 174.2 | 162.5 | 0 | 115.9 | ||||
| 27 | Q | 28.5 | Very low | 33.4 | Very low | 181 Ų | 181 | 161.1 Ų | 161.1 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | 81.8 | 108.1 | 157.7 | -65.1 | 179.3 | 1.6 | 0 | 0 | 119.1 | ||||
| 28 | S | 28.7 | Very low | 33.8 | Very low | 105 Ų | 105 | 160.7 Ų | 160.7 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | 138.8 | 139.3 | 109 | 71.4 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 29 | K | 30.3 | Very low | 34.5 | Very low | 204 Ų | 204 | 161.8 Ų | 161.8 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | 70.9 | 116.8 | 154.2 | -68.6 | 175.8 | -179.2 | 177.6 | 0 | 120.2 | ||||
| 30 | Q | 35.1 | Very low | 35.6 | Very low | 200 Ų | 200 | 156.6 Ų | 156.6 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | trans | -58 | 133.3 | 168 | -66.6 | 172.6 | -45.2 | 0 | 0 | 112 | ||||
| 31 | K | 32.3 | Very low | 36.3 | Very low | 197 Ų | 197 | 154.4 Ų | 154.4 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -129.5 | 111.2 | 155.8 | -100.3 | -179.2 | 176.2 | 177.1 | 0 | 108.3 | ||||
| 32 | G | 30.8 | Very low | 37.1 | Very low | 81 Ų | 81 | 152 Ų | 152 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -75.2 | 128.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A34 | G32-A34 PolarHBondContact O-N 3.07Š| ||
| 33 | Y | 36.7 | Very low | 37.8 | Very low | 227 Ų | 227 | 148 Ų | 148 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -83.9 | 104.7 | 162.1 | -78.3 | -90.5 | 0 | 0 | 0 | 107.8 | ||||
| 34 | A | 33 | Very low | 38.4 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -77.6 | 116.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | G32 S36 | G32-A34 PolarHBondContact O-N 3.07Å; A34-S36 PolarHBondContact O-N 2.95Å | ||
| 35 | V | 35.8 | Very low | 38.9 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -78.4 | 108 | 165.5 | 171.6 | 0 | 0 | 0 | 0 | 106.7 | L37 | V35-L37 HydrophobicContact CG1-CD2 4.3Å; V35-L37 HydrophobicContact CG1-CG 4.3Å; V35-L37 PolarHBondContact O-N 2.96Å | ||
| 36 | S | 43.2 | Very low | 39.8 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -70.2 | 104.7 | 172.2 | 59.9 | 0 | 0 | 0 | 0 | 109.3 | A34 | A34-S36 PolarHBondContact O-N 2.95Š| ||
| 37 | L | 39.4 | Very low | 40.6 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | -87.7 | 128.6 | 167 | -69.6 | 173.4 | 0 | 0 | 0 | 109.1 | V35 Y39 | V35-L37 HydrophobicContact CG1-CD2 4.3Å; V35-L37 HydrophobicContact CG1-CG 4.3Å; V35-L37 PolarHBondContact O-N 2.96Å; L37-Y39 PolarHBondContact O-N 3.32Å | ||
| 38 | N | 42.9 | Very low | 41.5 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | -59.1 | 129.9 | -176.1 | -75.1 | -43.3 | 0 | 0 | 0 | 112.4 | S40 | N38-S40 PolarHBondContact O-N 2.81Š| ||
| 39 | Y | 47 | Very low | 42.3 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 4.3 | -172 | -167.4 | -103.3 | 0 | 0 | 0 | 114.9 | L37 T43 | L37-Y39 PolarHBondContact O-N 3.32Å; Y39-T43 HydrophobicContact CD1-CG2 4.49Å; Y39-T43 HydrophobicContact CE1-CG2 4.19Å |
| 40 | S | 53.4 | Low | 43.1 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -12.3 | -168.6 | 58.3 | 0 | 0 | 0 | 0 | 115.9 | N38 T43 | N38-S40 PolarHBondContact O-N 2.81Å; S40-T43 PolarHBondContact O-OG1 2.91Å |
| 41 | A | 46.9 | Very low | 43.9 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 61% | 0.612 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -96.4 | -11.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 42 | L | 49.6 | Very low | 44.8 | Very low | 128 Ų | 128 | 126 Ų | 126 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -97.5 | -8.9 | -177 | -65.8 | 177.7 | 0 | 0 | 0 | 113.6 | S44 | L42-S44 PolarHBondContact O-N 3.45Š|
| 43 | T | 49.6 | Very low | 45.6 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 47% | 0.466 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.3 | -19.1 | -176.9 | 42.8 | 0 | 0 | 0 | 0 | 114 | Y39 S40 | Y39-T43 HydrophobicContact CD1-CG2 4.49Å; Y39-T43 HydrophobicContact CE1-CG2 4.19Å; S40-T43 PolarHBondContact O-OG1 2.91Å |
| 44 | S | 46 | Very low | 46.4 | Very low | 110 Ų | 110 | 120 Ų | 120 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -18.9 | 175.6 | -88.4 | 0 | 0 | 0 | 0 | 114.7 | L42 | L42-S44 PolarHBondContact O-N 3.45Š|
| 45 | F | 47.1 | Very low | 47.2 | Very low | 167 Ų | 167 | 122.2 Ų | 122.2 | 73% | 0.732 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -11.8 | 177 | -71.3 | -75.4 | 0 | 0 | 0 | 113.4 | K47 | F45-K47 VanDerWaalsContact C-N 3.34Å; F45-K47 PolarHBondContact O-N 3.37Å |
| 46 | A | 47.3 | Very low | 48.1 | Very low | 77 Ų | 77 | 126.6 Ų | 126.6 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 0.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 47 | K | 48.6 | Very low | 48.6 | Very low | 204 Ų | 204 | 125.3 Ų | 125.3 | 89% | 0.887 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 2.4 | 180 | -79 | -165.7 | 175.1 | -176.8 | 0 | 115.3 | F45 | F45-K47 VanDerWaalsContact C-N 3.34Å; F45-K47 PolarHBondContact O-N 3.37Å |
| 48 | S | 47.4 | Very low | 49.2 | Very low | 106 Ų | 106 | 120.7 Ų | 120.7 | 74% | 0.741 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -131 | 17.6 | -174.9 | 63.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 49 | C | 46.1 | Very low | 49.8 | Very low | 86 Ų | 86 | 118 Ų | 118 | 58% | 0.581 | 67% | 0.673 | S | S | * | * | trans | -134 | 123.6 | 179.6 | -155.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 50 | P | 47.9 | Very low | 50.1 | Low | 98 Ų | 98 | 116 Ų | 116 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | trans | -66.4 | 147.4 | 176.7 | 27 | -31.8 | 0 | 0 | 0 | 111.2 | S52 A53 | P50-S52 PolarHBondContact O-N 3.02Å; P50-A53 PolarHBondContact O-N 3.25Å | ||
| 51 | E | 50.4 | Low | 50.2 | Low | 188 Ų | 188 | 119.2 Ų | 119.2 | 88% | 0.879 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -0.3 | -166.6 | -151.6 | 150.5 | 155.9 | 0 | 0 | 116 | ||
| 52 | S | 51.4 | Low | 50.6 | Low | 97 Ų | 97 | 124.2 Ų | 124.2 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -9.2 | -177.8 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | P50 | P50-S52 PolarHBondContact O-N 3.02Š|
| 53 | A | 48.5 | Very low | 51.1 | Low | 43 Ų | 43 | 122.8 Ų | 122.8 | 36% | 0.355 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -85.2 | -24.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P50 N55 R56 | P50-A53 PolarHBondContact O-N 3.25Å; A53-N55 PolarHBondContact O-N 3.18Å; A53-R56 PolarHBondContact O-N 3.45Å |
| 54 | L | 52.2 | Low | 51.6 | Low | 139 Ų | 139 | 127.9 Ų | 127.9 | 73% | 0.728 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -72.8 | -27.1 | -173.6 | -73.3 | 177.4 | 0 | 0 | 0 | 113.8 | R56 | L54-R56 VanDerWaalsContact C-N 3.28Å; L54-R56 PolarHBondContact O-N 3.37Å |
| 55 | N | 51.6 | Low | 52.3 | Low | 147 Ų | 147 | 134.3 Ų | 134.3 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -74.6 | -16.6 | 178.5 | -69.6 | -26.5 | 0 | 0 | 0 | 113.4 | A53 | A53-N55 PolarHBondContact O-N 3.18Å |
| 56 | R | 53.4 | Low | 53.1 | Low | 216 Ų | 216 | 134.3 Ų | 134.3 | 82% | 0.815 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -87.6 | -22 | 178.9 | -166.5 | 175.5 | -99.8 | -151 | -2.5 | 113 | A53 L54 | A53-R56 PolarHBondContact O-N 3.45Å; L54-R56 VanDerWaalsContact C-N 3.28Å; L54-R56 PolarHBondContact O-N 3.37Å |
| 57 | V | 54 | Low | 53.8 | Low | 80 Ų | 80 | 140.1 Ų | 140.1 | 49% | 0.485 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -92 | -21.7 | -176.8 | -168.5 | 0 | 0 | 0 | 0 | 112.7 | S59 M60 F61 | V57-S59 PolarHBondContact O-N 3.01Å; V57-S59 VanDerWaalsContact O-N 3.16Å; V57-M60 PolarHBondContact O-N 3.48Å; V57-F61 HydrophobicContact CG1-CE2 4.27Å |
| 58 | G | 51.7 | Low | 54.4 | Low | 59 Ų | 59 | 135.3 Ų | 135.3 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -16.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 59 | S | 55.7 | Low | 54.7 | Low | 88 Ų | 88 | 139.4 Ų | 139.4 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -21.1 | 179.1 | -164.6 | 0 | 0 | 0 | 0 | 113.5 | V57 F61 | V57-S59 PolarHBondContact O-N 3.01Å; V57-S59 VanDerWaalsContact O-N 3.16Å; S59-F61 PolarHBondContact O-N 2.8Å |
| 60 | M | 53.8 | Low | 55.4 | Low | 155 Ų | 155 | 142 Ų | 142 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -10.4 | -175 | -63.2 | -151.6 | 73.1 | 0 | 0 | 114.1 | V57 | V57-M60 PolarHBondContact O-N 3.48Š|
| 61 | F | 55.9 | Low | 55.7 | Low | 166 Ų | 166 | 143.3 Ų | 143.3 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | 24.2 | -177.2 | -62.1 | -79.2 | 0 | 0 | 0 | 114.2 | V57 S59 S63 | V57-F61 HydrophobicContact CG1-CE2 4.27Å; S59-F61 PolarHBondContact O-N 2.8Å; F61-S63 PolarHBondContact O-N 3.45Å |
| 62 | K | 55.1 | Low | 56.3 | Low | 179 Ų | 179 | 139.4 Ų | 139.4 | 78% | 0.778 | 72% | 0.715 | S | S | * | * | trans | -73.3 | 61.5 | 157.9 | -65.3 | -161 | -178.9 | -177.1 | 0 | 109.6 | K64 | K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 2.99Å | ||
| 63 | S | 58.6 | Low | 57.3 | Low | 97 Ų | 97 | 142.8 Ų | 142.8 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | trans | -56.1 | 97.4 | 165.4 | 168.3 | 0 | 0 | 0 | 0 | 106.8 | F61 R65 | F61-S63 PolarHBondContact O-N 3.45Å; S63-R65 VanDerWaalsContact C-N 3.29Å; S63-R65 PolarHBondContact O-N 2.96Å | ||
| 64 | K | 62 | Low | 59 | Low | 183 Ų | 183 | 144.1 Ų | 144.1 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | trans | -55.9 | 103.6 | 163.5 | -81.6 | -175.3 | 176.1 | 180 | 0 | 104.8 | K62 K66 | K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 2.99Å; K64-K66 PolarHBondContact O-N 3.36Å | ||
| 65 | R | 59.5 | Low | 60.7 | Low | 245 Ų | 245 | 139.8 Ų | 139.8 | 93% | 0.925 | 70% | 0.702 | S | S | * | * | trans | -59.3 | 86.3 | 171.1 | -74.2 | -176.8 | 179.5 | 178.9 | -0.2 | 107.3 | S63 K67 | S63-R65 VanDerWaalsContact C-N 3.29Å; S63-R65 PolarHBondContact O-N 2.96Å; R65-K67 PolarHBondContact O-N 3.18Å | ||
| 66 | K | 63.6 | Low | 62.6 | Low | 168 Ų | 168 | 136 Ų | 136 | 73% | 0.73 | 68% | 0.684 | S | S | * | * | trans | -76.5 | 119.3 | 171.6 | -75.7 | -174.9 | 177.5 | -179.1 | 0 | 106.3 | K64 V68 | K64-K66 PolarHBondContact O-N 3.36Å; K66-V68 VanDerWaalsContact C-N 3.29Å; K66-V68 PolarHBondContact O-N 2.91Å | ||
| 67 | K | 62 | Low | 64.5 | Low | 198 Ų | 198 | 126.8 Ų | 126.8 | 86% | 0.861 | 65% | 0.65 | S | S | * | * | trans | -68.9 | 90.7 | 170.7 | -172.9 | 175.6 | -178.2 | 177.2 | 0 | 107.4 | R65 K69 | R65-K67 PolarHBondContact O-N 3.18Å; K67-K69 PolarHBondContact O-N 3.43Å | ||
| 68 | V | 61.2 | Low | 66.4 | Low | 104 Ų | 104 | 127.5 Ų | 127.5 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | trans | -78.7 | 115.5 | 171.9 | -177.3 | 0 | 0 | 0 | 0 | 106.5 | K66 I70 | K66-V68 VanDerWaalsContact C-N 3.29Å; K66-V68 PolarHBondContact O-N 2.91Å; V68-I70 VanDerWaalsContact C-N 3.27Å; V68-I70 HydrophobicContact CB-CG1 4.14Å; V68-I70 HydrophobicContact CG1-CG1 3.72Å; V68-I70 PolarHBondContact O-N 3.11Å | ||
| 69 | K | 53.2 | Low | 68.5 | Low | 192 Ų | 192 | 124.9 Ų | 124.9 | 84% | 0.835 | 63% | 0.626 | S | S | * | * | trans | -71.2 | 93.2 | 164.9 | -73.6 | -175.8 | 179 | -178.7 | 0 | 106.4 | K67 | K67-K69 PolarHBondContact O-N 3.43Š| ||
| 70 | I | 62.6 | Low | 70.3 | Confident | 140 Ų | 140 | 122.3 Ų | 122.3 | 72% | 0.718 | 61% | 0.606 | S | S | * | * | trans | -76.7 | 128.6 | 175.4 | -59.1 | 170.9 | 0 | 0 | 0 | 106.1 | V68 | V68-I70 VanDerWaalsContact C-N 3.27Å; V68-I70 HydrophobicContact CB-CG1 4.14Å; V68-I70 HydrophobicContact CG1-CG1 3.72Å; V68-I70 PolarHBondContact O-N 3.11Å | ||
| 71 | T | 52.9 | Low | 72.3 | Confident | 125 Ų | 125 | 116.6 Ų | 116.6 | 77% | 0.767 | 58% | 0.576 | S | S | * | * | trans | 82.3 | 79.8 | 178.8 | -33.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 72 | S | 63.7 | Low | 74.1 | Confident | 106 Ų | 106 | 109.6 Ų | 109.6 | 74% | 0.741 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 126.7 | 145.7 | 51.7 | 0 | 0 | 0 | 0 | 107.2 | ||
| 73 | E | 73.1 | Confident | 75.9 | Confident | 168 Ų | 168 | 101.8 Ų | 101.8 | 79% | 0.785 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 144.1 | 170.2 | -175.1 | 175.9 | 180 | 0 | 0 | 110.1 | ||
| 74 | D | 83.2 | Confident | 77.6 | Confident | 71 Ų | 71 | 100 Ų | 100 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 123.1 | 178.2 | -73.3 | -21.4 | 0 | 0 | 0 | 109.5 | T76 T119 S121 | D74-T76 PolarHBondContact O-N 2.93Å; D74-T76 PolarHBondContact O-OG1 3.24Å; D74-T119 HydrophobicContact CB-CG2 3.53Å; D74-S121 WeakPolarHBondContact OD2-CB 3.41Å; D74-S121 PolarHBondContact OD2-OG 3.33Å |
| 75 | P | 88.9 | Confident | 79.2 | Confident | 48 Ų | 48 | 91.7 Ų | 91.7 | 31% | 0.312 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 127.9 | -173.2 | 26.8 | -35 | 0 | 0 | 0 | 110.8 | Y77 V120 L193 | P75-Y77 HydrophobicContact CB-CE2 3.95Å; P75-Y77 HydrophobicContact CG-CE2 4.37Å; P75-V120 PolarHBondContact O-N 3Å; P75-L193 HydrophobicContact CB-CD2 4.28Å; P75-L193 HydrophobicContact CG-CD2 3.22Å; P75-L193 HydrophobicContact CG-CG 4.47Å |
| 76 | T | 91.1 | Very high | 80.8 | Confident | 67 Ų | 67 | 84.2 Ų | 84.2 | 41% | 0.411 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.6 | -175.8 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | D74 R117 L118 T119 | D74-T76 PolarHBondContact O-N 2.93Å; D74-T76 PolarHBondContact O-OG1 3.24Å; T76-R117 HydrophobicContact CG2-CB 4.06Å; T76-L118 WeakPolarHBondContact CA-O 3.31Å; T76-T119 WeakPolarHBondContact CG2-OG1 3.44Å; T76-T119 WeakPolarHBondContact OG1-CG2 3.45Å; T76-T119 PolarHBondContact OG1-OG1 3.16Å |
| 77 | Y | 92.9 | Very high | 82.1 | Confident | 24 Ų | 24 | 77.3 Ų | 77.3 | 9% | 0.094 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.8 | -176.6 | -56.7 | -85.1 | 0 | 0 | 0 | 110.4 | P75 V79 L118 M190 L193 | P75-Y77 HydrophobicContact CB-CE2 3.95Å; P75-Y77 HydrophobicContact CG-CE2 4.37Å; Y77-V79 PolarHBondContact O-N 3.47Å; Y77-L118 PolarHBondContact N-O 3.34Å; Y77-L118 PolarHBondContact O-N 3.35Å; Y77-M190 HydrophobicContact CD1-CG 4.24Å; Y77-M190 HydrophobicContact CD1-SD 4.15Å; Y77-M190 HydrophobicContact CD2-CE 4.08Å; Y77-M190 HydrophobicContact CD2-CG 3.72Å; Y77-M190 HydrophobicContact CD2-SD 3.9Å; Y77-M190 HydrophobicContact CE1-CG 4.2Å; Y77-M190 HydrophobicContact CE2-CG 3.66Å; Y77-M190 HydrophobicContact CE2-SD 4.44Å; Y77-M190 HydrophobicContact CG-CE 4.3Å; Y77-M190 HydrophobicContact CG-CG 4.01Å; Y77-M190 HydrophobicContact CG-SD 3.73Å; Y77-L193 HydrophobicContact CE2-CD2 4.41Å |
| 78 | T | 93.7 | Very high | 83.4 | Confident | 94 Ų | 94 | 75.9 Ų | 75.9 | 58% | 0.577 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 118.8 | 168.1 | -52.3 | 0 | 0 | 0 | 0 | 109.2 | V130 | T78-V130 HydrophobicContact CG2-CG2 4.03Å |
| 79 | V | 94.9 | Very high | 84.6 | Confident | 5 Ų | 5 | 76 Ų | 76 | 3% | 0.03 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 157.2 | -176.3 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | Y77 M116 L118 M127 V179 V181 M190 | Y77-V79 PolarHBondContact O-N 3.47Å; V79-M116 PolarHBondContact N-O 3.11Å; V79-M116 PolarHBondContact O-N 3.35Å; V79-L118 HydrophobicContact CG1-CB 4.28Å; V79-L118 HydrophobicContact CG2-CB 3.75Å; V79-L118 HydrophobicContact CG2-CD1 4.35Å; V79-M127 HydrophobicContact CG2-CE 3.92Å; V79-V179 HydrophobicContact CB-CB 4.08Å; V79-V179 HydrophobicContact CB-CG2 4.34Å; V79-V179 HydrophobicContact CG1-CG2 4.43Å; V79-V179 HydrophobicContact CG2-CB 4.02Å; V79-V179 HydrophobicContact CG2-CG1 3.99Å; V79-V179 HydrophobicContact CG2-CG2 4.42Å; V79-V181 HydrophobicContact CG1-CG2 4.01Å; V79-M190 HydrophobicContact CG1-CE 4.2Å; V79-M190 HydrophobicContact CG1-SD 4.4Å |
| 80 | L | 94.9 | Very high | 86 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 111.9 | 171.8 | -175.4 | 75.5 | 0 | 0 | 0 | 108.8 | L82 G110 G113 K115 V179 L180 | L80-L82 HydrophobicContact CD2-CD2 4.14Å; L80-L82 HydrophobicContact CG-CD2 4.45Å; L80-L82 PolarHBondContact O-N 3.12Å; L80-G110 WeakPolarHBondContact CD2-O 3.25Å; L80-G113 VanDerWaalsContact CD1-C 3.41Å; L80-G113 WeakPolarHBondContact CD1-O 3.11Å; L80-K115 HydrophobicContact CD1-CG 3.94Å; L80-V179 CarbonylContact O-C 3.57Å; L80-V179 WeakPolarHBondContact O-CA 3.42Å; L80-L180 HydrophobicContact CB-CB 4.22Å; L80-L180 HydrophobicContact CD2-CD2 4.12Å; L80-L180 PolarHBondContact N-O 2.86Å; L80-L180 PolarHBondContact O-N 2.7Å |
| 81 | Y | 95.3 | Very high | 87 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 14% | 0.137 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 115.5 | 176.8 | -179.4 | -110.4 | 0 | 0 | 0 | 110.2 | G113 T114 M116 M127 H177 V179 | Y81-G113 CarbonylContact O-C 3.58Å; Y81-G113 VanDerWaalsContact O-CA 3.24Å; Y81-G113 WeakPolarHBondContact O-CA 3.48Å; Y81-T114 PolarHBondContact N-O 2.88Å; Y81-T114 PolarHBondContact O-N 3.26Å; Y81-M116 HydrophobicContact CD1-CE 4.18Å; Y81-M116 HydrophobicContact CD1-SD 4.34Å; Y81-M116 HydrophobicContact CG-CE 4.45Å; Y81-M116 HydrophobicContact CG-SD 4.02Å; Y81-M127 HydrophobicContact CD2-CE 4.48Å; Y81-H177 HydrophobicContact CE2-CB 4.4Å; Y81-H177 AromaticContact CE2-ND1 3.94Å; Y81-H177 AromaticContact CZ-ND1 3.97Å; Y81-H177 PolarHBondContact OH-ND1 2.75Å; Y81-H177 VanDerWaalsContact OH-ND1 3.11Å; Y81-V179 HydrophobicContact CD2-CG1 3.91Å |
| 82 | L | 94.3 | Very high | 88.5 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -29.5 | -177 | -59.5 | -179.1 | 0 | 0 | 0 | 112.1 | L80 I103 W104 I158 A178 L180 | L80-L82 HydrophobicContact CD2-CD2 4.14Å; L80-L82 HydrophobicContact CG-CD2 4.45Å; L80-L82 PolarHBondContact O-N 3.12Å; L82-I103 HydrophobicContact CB-CG2 3.56Å; L82-W104 HydrophobicContact CD1-CE3 3.85Å; L82-W104 HydrophobicContact CD1-CZ3 4.07Å; L82-I158 HydrophobicContact CD1-CD1 4.24Å; L82-A178 PolarHBondContact N-O 3.48Å; L82-A178 VanDerWaalsContact N-O 3.15Å; L82-L180 HydrophobicContact CD1-CB 4.16Å; L82-L180 HydrophobicContact CD2-CB 4.04Å; L82-L180 HydrophobicContact CG-CB 4.13Å |
| 83 | G | 92.8 | Very high | 89.4 | Confident | 14 Ų | 14 | 63.2 Ų | 63.2 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.9 | -160.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A178 | G83-A178 PolarHBondContact O-N 3.17Å |
| 84 | N | 93.9 | Very high | 90 | Very high | 60 Ų | 60 | 56.3 Ų | 56.3 | 32% | 0.321 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.3 | -176.4 | 57.8 | 3.4 | 0 | 0 | 0 | 112.2 | R175 C176 | N84-R175 HydrophobicContact CB-CG 3.74Å; N84-R175 VanDerWaalsContact ND2-CD 3.33Å; N84-R175 WeakPolarHBondContact ND2-CD 3.35Å; N84-R175 PolarHBondContact ND2-NE 2.86Å; N84-R175 PolarHBondContact ND2-NH1 2.7Å; N84-C176 CarbonylContact C-O 3.53Å; N84-C176 WeakPolarHBondContact CA-O 2.93Å |
| 85 | A | 95.1 | Very high | 90.2 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 147.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A99 I103 R175 C176 | A85-A99 HydrophobicContact CB-CB 4.22Å; A85-I103 HydrophobicContact CB-CD1 3.92Å; A85-I103 HydrophobicContact CB-CG1 3.69Å; A85-R175 CarbonylContact O-C 3.58Å; A85-R175 WeakPolarHBondContact O-CA 3.28Å; A85-C176 PolarHBondContact N-O 2.7Å; A85-C176 PolarHBondContact O-N 2.67Å |
| 86 | T | 93.5 | Very high | 90.4 | Very high | 87 Ų | 87 | 51.1 Ų | 51.1 | 53% | 0.534 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 140.9 | 173.5 | 49.9 | 0 | 0 | 0 | 0 | 110 | M173 | T86-M173 HydrophobicContact CG2-CE 4.47Å; T86-M173 HydrophobicContact CG2-CG 4.25Å; T86-M173 HydrophobicContact CG2-SD 3.67Å |
| 87 | T | 91.9 | Very high | 90.4 | Very high | 24 Ų | 24 | 49.4 Ų | 49.4 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 156.3 | 174.6 | -172.2 | 0 | 0 | 0 | 0 | 109.7 | Q89 C95 I162 L174 | T87-Q89 WeakPolarHBondContact CG2-O 3.38Å; T87-C95 PolarHBondContact OG1-O 3.48Å; T87-I162 HydrophobicContact CG2-CD1 4.08Å; T87-I162 HydrophobicContact CG2-CG1 4.34Å; T87-I162 HydrophobicContact CG2-CG2 3.93Å; T87-L174 HydrophobicContact CG2-CB 3.74Å; T87-L174 PolarHBondContact N-O 2.98Å; T87-L174 WeakPolarHBondContact O-CB 3.42Å |
| 88 | I | 87.3 | Confident | 90.4 | Very high | 168 Ų | 168 | 55 Ų | 55 | 86% | 0.862 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -96 | -33.2 | -179.4 | -58.1 | 171.9 | 0 | 0 | 0 | 110.1 | ||
| 89 | Q | 86.6 | Confident | 90.4 | Very high | 106 Ų | 106 | 50.6 Ų | 50.6 | 50% | 0.495 | 28% | 0.284 | S | S | . | . | trans | -92.3 | 136.8 | -177.5 | -67 | -177.7 | 7.5 | 0 | 0 | 110.9 | T87 C95 | T87-Q89 WeakPolarHBondContact CG2-O 3.38Å; Q89-C95 HydrophobicContact CB-CB 3.67Å; Q89-C95 VanDerWaalsContact OE1-CB 3.26Å | ||
| 90 | S | 82.6 | Confident | 90.3 | Very high | 42 Ų | 42 | 50.4 Ų | 50.4 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -91.9 | -27.8 | 177.4 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | T147 Y148 | S90-T147 WeakPolarHBondContact O-CB 3.37Å; S90-T147 PolarHBondContact O-OG1 3.47Å; S90-Y148 WeakPolarHBondContact O-CB 3.42Å |
| 91 | K | 85.2 | Confident | 90.3 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 30% | 0.296 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -152.5 | 157.9 | -176.2 | -56.2 | -171.4 | -178.7 | -178 | 0 | 108.9 | D297 E300 S302 | K91-D297 PolarHBondContact NZ-O 3.02Å; K91-E300 PolarHBondContact NZ-O 3.13Å; K91-S302 WeakPolarHBondContact CB-OG 3.49Å; K91-S302 WeakPolarHBondContact CD-OG 3.34Å; K91-S302 VanDerWaalsContact CG-OG 3.23Å; K91-S302 WeakPolarHBondContact CG-OG 3.45Å |
| 92 | G | 83.6 | Confident | 90.2 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 124.2 | 158.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | C95 Y148 | G92-C95 WeakPolarHBondContact O-CB 3.25Å; G92-C95 PolarHBondContact O-N 3.24Å; G92-C95 PolarHBondContact O-SG 3.48Å; G92-Y148 PolarHBondContact O-OH 2.77Å |
| 93 | D | 83.3 | Confident | 90.3 | Very high | 150 Ų | 150 | 55 Ų | 55 | 80% | 0.802 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 138.9 | 176.4 | -168.4 | 15.7 | 0 | 0 | 0 | 110.7 | C95 | D93-C95 PolarHBondContact O-N 3.25Å; D93-C95 VanDerWaalsContact O-N 3.17Å |
| 94 | G | 84.9 | Confident | 90.3 | Very high | 24 Ų | 24 | 56.9 Ų | 56.9 | 25% | 0.247 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 2.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | T96 D97 | G94-T96 PolarHBondContact O-N 3.12Å; G94-T96 VanDerWaalsContact O-N 3.08Å; G94-D97 WeakPolarHBondContact O-CB 3.28Å; G94-D97 PolarHBondContact O-N 3.38Å; G94-D97 VanDerWaalsContact O-N 3.09Å |
| 95 | C | 88.3 | Confident | 90.4 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.8 | -178.1 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | T87 Q89 G92 D93 Y148 I162 | T87-C95 PolarHBondContact OG1-O 3.48Å; Q89-C95 HydrophobicContact CB-CB 3.67Å; Q89-C95 VanDerWaalsContact OE1-CB 3.26Å; G92-C95 WeakPolarHBondContact O-CB 3.25Å; G92-C95 PolarHBondContact O-N 3.24Å; G92-C95 PolarHBondContact O-SG 3.48Å; D93-C95 PolarHBondContact O-N 3.25Å; D93-C95 VanDerWaalsContact O-N 3.17Å; C95-Y148 WeakPolarHBondContact SG-CD1 3.39Å; C95-Y148 WeakPolarHBondContact SG-CE1 3.31Å; C95-I162 HydrophobicContact CB-CD1 4.46Å |
| 96 | T | 91.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -17.9 | 179.3 | 44.5 | 0 | 0 | 0 | 0 | 113.9 | G94 M98 A99 V100 Y148 V150 I162 | G94-T96 PolarHBondContact O-N 3.12Å; G94-T96 VanDerWaalsContact O-N 3.08Å; T96-M98 PolarHBondContact O-N 3.46Å; T96-A99 PolarHBondContact O-N 3.38Å; T96-V100 WeakPolarHBondContact O-CB 2.98Å; T96-V100 WeakPolarHBondContact O-CG2 3.3Å; T96-V100 PolarHBondContact O-N 3.49Å; T96-Y148 HydrophobicContact CG2-CD1 3.6Å; T96-Y148 HydrophobicContact CG2-CE1 3.56Å; T96-V150 HydrophobicContact CG2-CG1 3.88Å; T96-V150 WeakPolarHBondContact OG1-CG1 3.23Å; T96-I162 HydrophobicContact CG2-CD1 3.86Å; T96-I162 HydrophobicContact CG2-CG1 3.89Å |
| 97 | D | 91.6 | Very high | 90.1 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 16% | 0.16 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.5 | -48.1 | -166.9 | -71.9 | 8.8 | 0 | 0 | 0 | 112.6 | G94 A99 S101 R154 | G94-D97 WeakPolarHBondContact O-CB 3.28Å; G94-D97 PolarHBondContact O-N 3.38Å; G94-D97 VanDerWaalsContact O-N 3.09Å; D97-A99 VanDerWaalsContact C-N 3.32Å; D97-A99 PolarHBondContact O-N 3.44Å; D97-S101 VanDerWaalsContact O-CB 3.27Å; D97-S101 WeakPolarHBondContact O-CB 3.47Å; D97-S101 PolarHBondContact O-N 2.84Å; D97-S101 PolarHBondContact O-OG 2.99Å; D97-R154 IonicContact OD2-CZ 3.4Å; D97-R154 IonicContact OD2-NH1 3.76Å; D97-R154 PolarHBondContact OD2-NH1 2.96Å; D97-R154 IonicContact OD2-NH2 2.98Å; D97-R154 PolarHBondContact OD2-NH2 3.36Å |
| 98 | M | 92.8 | Very high | 89.9 | Confident | 141 Ų | 141 | 63.4 Ų | 63.4 | 70% | 0.695 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.7 | -37.4 | 178.5 | -67.1 | -176.1 | 70.8 | 0 | 0 | 111.7 | T96 K102 | T96-M98 PolarHBondContact O-N 3.46Å; M98-K102 VanDerWaalsContact O-CG 3.27Å; M98-K102 WeakPolarHBondContact O-CG 3.47Å; M98-K102 PolarHBondContact O-N 3.13Å; M98-K102 VanDerWaalsContact O-N 3.13Å |
| 99 | A | 93.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.4 | -44.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A85 T96 D97 K102 I103 C176 | A85-A99 HydrophobicContact CB-CB 4.22Å; T96-A99 PolarHBondContact O-N 3.38Å; D97-A99 VanDerWaalsContact C-N 3.32Å; D97-A99 PolarHBondContact O-N 3.44Å; A99-K102 PolarHBondContact O-N 2.67Å; A99-I103 VanDerWaalsContact O-CG1 3.26Å; A99-I103 WeakPolarHBondContact O-CG1 3.42Å; A99-I103 PolarHBondContact O-N 2.89Å; A99-C176 HydrophobicContact CB-CB 3.55Å |
| 100 | V | 94.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.5 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | T96 K102 I103 W104 D152 L155 I158 A160 | T96-V100 WeakPolarHBondContact O-CB 2.98Å; T96-V100 WeakPolarHBondContact O-CG2 3.3Å; T96-V100 PolarHBondContact O-N 3.49Å; V100-K102 VanDerWaalsContact C-N 3.31Å; V100-K102 PolarHBondContact O-N 3.08Å; V100-I103 PolarHBondContact O-N 3.34Å; V100-I103 VanDerWaalsContact O-N 3.14Å; V100-W104 VanDerWaalsContact O-CB 3.27Å; V100-W104 WeakPolarHBondContact O-CB 3.45Å; V100-W104 PolarHBondContact O-N 2.82Å; V100-D152 WeakPolarHBondContact CG1-OD2 3.26Å; V100-L155 HydrophobicContact CG1-CD1 4.4Å; V100-I158 HydrophobicContact CG1-CD1 4.05Å; V100-I158 HydrophobicContact CG1-CG2 4.08Å; V100-A160 HydrophobicContact CG2-CB 3.77Å |
| 101 | S | 93.8 | Very high | 89.8 | Confident | 63 Ų | 63 | 62.7 Ų | 62.7 | 44% | 0.441 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 176.6 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | D97 W104 G105 | D97-S101 VanDerWaalsContact O-CB 3.27Å; D97-S101 WeakPolarHBondContact O-CB 3.47Å; D97-S101 PolarHBondContact O-N 2.84Å; D97-S101 PolarHBondContact O-OG 2.99Å; S101-W104 PolarHBondContact O-N 3.18Å; S101-G105 PolarHBondContact O-N 3.39Å |
| 102 | K | 94.3 | Very high | 89.8 | Confident | 117 Ų | 117 | 63.3 Ų | 63.3 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 174.9 | -75.3 | 173.1 | -175.3 | 178.8 | 0 | 112.2 | M98 A99 V100 K106 | M98-K102 VanDerWaalsContact O-CG 3.27Å; M98-K102 WeakPolarHBondContact O-CG 3.47Å; M98-K102 PolarHBondContact O-N 3.13Å; M98-K102 VanDerWaalsContact O-N 3.13Å; A99-K102 PolarHBondContact O-N 2.67Å; V100-K102 VanDerWaalsContact C-N 3.31Å; V100-K102 PolarHBondContact O-N 3.08Å; K102-K106 WeakPolarHBondContact O-CB 3.5Å; K102-K106 VanDerWaalsContact O-CG 3.27Å; K102-K106 WeakPolarHBondContact O-CG 3.47Å; K102-K106 PolarHBondContact O-N 3.06Å; K102-K106 VanDerWaalsContact O-N 3.09Å |
| 103 | I | 94.6 | Very high | 90 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 178 | -65 | 162.7 | 0 | 0 | 0 | 110 | L82 A85 A99 V100 G105 K106 S107 A178 | L82-I103 HydrophobicContact CB-CG2 3.56Å; A85-I103 HydrophobicContact CB-CD1 3.92Å; A85-I103 HydrophobicContact CB-CG1 3.69Å; A99-I103 VanDerWaalsContact O-CG1 3.26Å; A99-I103 WeakPolarHBondContact O-CG1 3.42Å; A99-I103 PolarHBondContact O-N 2.89Å; V100-I103 PolarHBondContact O-N 3.34Å; V100-I103 VanDerWaalsContact O-N 3.14Å; I103-G105 PolarHBondContact O-N 2.86Å; I103-K106 PolarHBondContact O-N 3.25Å; I103-S107 WeakPolarHBondContact O-CB 3.31Å; I103-S107 PolarHBondContact O-N 2.91Å; I103-S107 PolarHBondContact O-OG 3.35Å; I103-A178 HydrophobicContact CD1-CB 3.9Å; I103-A178 HydrophobicContact CG2-CB 4.11Å |
| 104 | W | 94.6 | Very high | 90.4 | Very high | 54 Ų | 54 | 59.3 Ų | 59.3 | 21% | 0.205 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 179.4 | -172.1 | -118.7 | 0 | 0 | 0 | 111.9 | L82 V100 S101 K106 S107 M109 L155 I158 L180 | L82-W104 HydrophobicContact CD1-CE3 3.85Å; L82-W104 HydrophobicContact CD1-CZ3 4.07Å; V100-W104 VanDerWaalsContact O-CB 3.27Å; V100-W104 WeakPolarHBondContact O-CB 3.45Å; V100-W104 PolarHBondContact O-N 2.82Å; S101-W104 PolarHBondContact O-N 3.18Å; W104-K106 PolarHBondContact O-N 3.42Å; W104-S107 WeakPolarHBondContact CA-OG 3.39Å; W104-S107 PolarHBondContact O-N 3.42Å; W104-S107 PolarHBondContact O-OG 3.25Å; W104-M109 HydrophobicContact CD2-SD 4.49Å; W104-M109 HydrophobicContact CG-SD 4.3Å; W104-M109 HydrophobicContact CH2-CB 4.46Å; W104-M109 WeakPolarHBondContact CH2-O 3.35Å; W104-M109 VanDerWaalsContact CZ2-C 3.47Å; W104-M109 HydrophobicContact CZ2-CB 3.81Å; W104-M109 WeakPolarHBondContact CZ2-O 3.3Å; W104-M109 HydrophobicContact CZ2-SD 4.4Å; W104-M109 PolarHBondContact NE1-SD 2.86Å; W104-M109 PolarHBondContact O-N 3.45Å; W104-L155 HydrophobicContact CB-CD1 4.36Å; W104-L155 HydrophobicContact CD2-CD1 4.03Å; W104-L155 HydrophobicContact CG-CD1 3.86Å; W104-I158 HydrophobicContact CD2-CD1 4.14Å; W104-I158 HydrophobicContact CE3-CD1 3.61Å; W104-I158 HydrophobicContact CZ3-CD1 4.02Å; W104-L180 HydrophobicContact CZ3-CD1 4.39Å |
| 105 | G | 94.1 | Very high | 90.7 | Very high | 49 Ų | 49 | 63.2 Ų | 63.2 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S101 I103 S107 E108 | S101-G105 PolarHBondContact O-N 3.39Å; I103-G105 PolarHBondContact O-N 2.86Å; G105-S107 VanDerWaalsContact C-N 3.29Å; G105-S107 PolarHBondContact O-N 3.32Å; G105-E108 PolarHBondContact O-N 2.99Å |
| 106 | K | 92.6 | Very high | 91 | Very high | 157 Ų | 157 | 63.3 Ų | 63.3 | 68% | 0.683 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.9 | -29.4 | 176.1 | -74.4 | 177 | 180 | -173.3 | 0 | 113.6 | K102 I103 W104 E108 | K102-K106 WeakPolarHBondContact O-CB 3.5Å; K102-K106 VanDerWaalsContact O-CG 3.27Å; K102-K106 WeakPolarHBondContact O-CG 3.47Å; K102-K106 PolarHBondContact O-N 3.06Å; K102-K106 VanDerWaalsContact O-N 3.09Å; I103-K106 PolarHBondContact O-N 3.25Å; W104-K106 PolarHBondContact O-N 3.42Å; K106-E108 PolarHBondContact O-N 2.83Å |
| 107 | S | 90 | Very high | 91 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 7.5 | 179.9 | 70.7 | 0 | 0 | 0 | 0 | 114 | I103 W104 G105 M109 G110 K111 N112 | I103-S107 WeakPolarHBondContact O-CB 3.31Å; I103-S107 PolarHBondContact O-N 2.91Å; I103-S107 PolarHBondContact O-OG 3.35Å; W104-S107 WeakPolarHBondContact CA-OG 3.39Å; W104-S107 PolarHBondContact O-N 3.42Å; W104-S107 PolarHBondContact O-OG 3.25Å; G105-S107 VanDerWaalsContact C-N 3.29Å; G105-S107 PolarHBondContact O-N 3.32Å; S107-M109 VanDerWaalsContact C-N 3.3Å; S107-M109 PolarHBondContact O-N 2.87Å; S107-G110 PolarHBondContact O-N 3.47Å; S107-G110 VanDerWaalsContact O-N 3.12Å; S107-G110 PolarHBondContact OG-N 3.01Å; S107-K111 PolarHBondContact O-N 3.41Å; S107-K111 VanDerWaalsContact O-N 3.11Å; S107-N112 WeakPolarHBondContact CB-O 3.47Å; S107-N112 PolarHBondContact O-N 3.39Å |
| 108 | E | 89.4 | Confident | 91.2 | Very high | 110 Ų | 110 | 66.8 Ų | 66.8 | 51% | 0.514 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 48 | -174.5 | -62.1 | -179.1 | -164.7 | 0 | 0 | 112.4 | G105 K106 G110 K111 | G105-E108 PolarHBondContact O-N 2.99Å; K106-E108 PolarHBondContact O-N 2.83Å; E108-G110 PolarHBondContact O-N 2.91Å; E108-K111 HydrophobicContact CB-CB 4.31Å; E108-K111 WeakPolarHBondContact O-CG 3.33Å |
| 109 | M | 84.9 | Confident | 91.2 | Very high | 123 Ų | 123 | 61 Ų | 61 | 61% | 0.606 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 39.6 | -177 | -48.4 | -61.2 | -171.7 | 0 | 0 | 113.5 | W104 S107 | W104-M109 HydrophobicContact CD2-SD 4.49Å; W104-M109 HydrophobicContact CG-SD 4.3Å; W104-M109 HydrophobicContact CH2-CB 4.46Å; W104-M109 WeakPolarHBondContact CH2-O 3.35Å; W104-M109 VanDerWaalsContact CZ2-C 3.47Å; W104-M109 HydrophobicContact CZ2-CB 3.81Å; W104-M109 WeakPolarHBondContact CZ2-O 3.3Å; W104-M109 HydrophobicContact CZ2-SD 4.4Å; W104-M109 PolarHBondContact NE1-SD 2.86Å; W104-M109 PolarHBondContact O-N 3.45Å; S107-M109 VanDerWaalsContact C-N 3.3Å; S107-M109 PolarHBondContact O-N 2.87Å |
| 110 | G | 81.9 | Confident | 91.2 | Very high | 13 Ų | 13 | 61 Ų | 61 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 10.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | L80 S107 E108 | L80-G110 WeakPolarHBondContact CD2-O 3.25Å; S107-G110 PolarHBondContact O-N 3.47Å; S107-G110 VanDerWaalsContact O-N 3.12Å; S107-G110 PolarHBondContact OG-N 3.01Å; E108-G110 PolarHBondContact O-N 2.91Å |
| 111 | K | 85.7 | Confident | 91.1 | Very high | 165 Ų | 165 | 61.6 Ų | 61.6 | 72% | 0.717 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -36.5 | 172.2 | -67 | 178.1 | -177.7 | -179.9 | 0 | 111.6 | S107 E108 | S107-K111 PolarHBondContact O-N 3.41Å; S107-K111 VanDerWaalsContact O-N 3.11Å; E108-K111 HydrophobicContact CB-CB 4.31Å; E108-K111 WeakPolarHBondContact O-CG 3.33Å |
| 112 | N | 86.6 | Confident | 90.7 | Very high | 81 Ų | 81 | 62.2 Ų | 62.2 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -106.5 | 112.7 | -173.3 | -62 | 28.3 | 0 | 0 | 0 | 108.9 | S107 | S107-N112 WeakPolarHBondContact CB-O 3.47Å; S107-N112 PolarHBondContact O-N 3.39Å |
| 113 | G | 87.4 | Confident | 90.5 | Very high | 37 Ų | 37 | 62.5 Ų | 62.5 | 38% | 0.381 | 33% | 0.325 | S | S | . | . | trans | -169.6 | 166.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L80 Y81 | L80-G113 VanDerWaalsContact CD1-C 3.41Å; L80-G113 WeakPolarHBondContact CD1-O 3.11Å; Y81-G113 CarbonylContact O-C 3.58Å; Y81-G113 VanDerWaalsContact O-CA 3.24Å; Y81-G113 WeakPolarHBondContact O-CA 3.48Å | ||
| 114 | T | 91.3 | Very high | 90.3 | Very high | 62 Ų | 62 | 62.4 Ų | 62.4 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.9 | 179 | -57 | 0 | 0 | 0 | 0 | 110.4 | Y81 M116 | Y81-T114 PolarHBondContact N-O 2.88Å; Y81-T114 PolarHBondContact O-N 3.26Å; T114-M116 HydrophobicContact CG2-CE 3.85Å; T114-M116 HydrophobicContact CG2-CG 4.15Å; T114-M116 PolarHBondContact O-N 3.46Å |
| 115 | K | 92.4 | Very high | 90.3 | Very high | 106 Ų | 106 | 59.9 Ų | 59.9 | 46% | 0.461 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 120 | 175.6 | -66.9 | -179.2 | -177.9 | 173.7 | 0 | 109.9 | L80 V130 | L80-K115 HydrophobicContact CD1-CG 3.94Å; K115-V130 HydrophobicContact CB-CB 4.44Å; K115-V130 HydrophobicContact CB-CG2 4.07Å; K115-V130 PolarHBondContact O-N 3.15Å |
| 116 | M | 93.2 | Very high | 90.3 | Very high | 9 Ų | 9 | 63 Ų | 63 | 4% | 0.044 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 150.7 | -179 | -66.3 | -174.3 | 172.9 | 0 | 0 | 110.7 | V79 Y81 T114 M127 V128 | V79-M116 PolarHBondContact N-O 3.11Å; V79-M116 PolarHBondContact O-N 3.35Å; Y81-M116 HydrophobicContact CD1-CE 4.18Å; Y81-M116 HydrophobicContact CD1-SD 4.34Å; Y81-M116 HydrophobicContact CG-CE 4.45Å; Y81-M116 HydrophobicContact CG-SD 4.02Å; T114-M116 HydrophobicContact CG2-CE 3.85Å; T114-M116 HydrophobicContact CG2-CG 4.15Å; T114-M116 PolarHBondContact O-N 3.46Å; M116-M127 HydrophobicContact CB-CE 3.62Å; M116-M127 HydrophobicContact CG-CE 4.23Å; M116-M127 HydrophobicContact SD-CB 4.26Å; M116-M127 HydrophobicContact SD-CE 3.61Å; M116-V128 CarbonylContact C-O 3.45Å; M116-V128 VanDerWaalsContact CA-O 3.29Å; M116-V128 WeakPolarHBondContact CA-O 3.34Å |
| 117 | R | 92.9 | Very high | 90.3 | Very high | 106 Ų | 106 | 55.6 Ų | 55.6 | 40% | 0.4 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 117.7 | 165.6 | -65.1 | -171.5 | -66.3 | 171 | -2.1 | 108.6 | T76 M127 V128 V130 | T76-R117 HydrophobicContact CG2-CB 4.06Å; R117-M127 WeakPolarHBondContact O-CA 3.21Å; R117-V128 PolarHBondContact N-O 2.9Å; R117-V128 PolarHBondContact O-N 3.35Å; R117-V130 HydrophobicContact CG-CG2 3.88Å |
| 118 | L | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 116.5 | 175.6 | -173.2 | 159.3 | 0 | 0 | 0 | 108.8 | T76 Y77 V79 V120 I125 R126 M127 W161 V179 M190 | T76-L118 WeakPolarHBondContact CA-O 3.31Å; Y77-L118 PolarHBondContact N-O 3.34Å; Y77-L118 PolarHBondContact O-N 3.35Å; V79-L118 HydrophobicContact CG1-CB 4.28Å; V79-L118 HydrophobicContact CG2-CB 3.75Å; V79-L118 HydrophobicContact CG2-CD1 4.35Å; L118-V120 HydrophobicContact CD2-CG2 3.62Å; L118-I125 HydrophobicContact CD1-CG2 3.92Å; L118-I125 HydrophobicContact CD2-CG2 3.86Å; L118-I125 HydrophobicContact CG-CG2 3.6Å; L118-R126 WeakPolarHBondContact CA-O 3.39Å; L118-M127 HydrophobicContact CB-CE 4.29Å; L118-M127 HydrophobicContact CB-SD 3.46Å; L118-M127 WeakPolarHBondContact CB-SD 3.45Å; L118-M127 HydrophobicContact CD1-CE 4.35Å; L118-M127 HydrophobicContact CD1-SD 3.48Å; L118-M127 WeakPolarHBondContact CD1-SD 3.49Å; L118-M127 HydrophobicContact CG-SD 3.38Å; L118-M127 WeakPolarHBondContact CG-SD 3.47Å; L118-W161 HydrophobicContact CD1-CH2 4.28Å; L118-W161 HydrophobicContact CD1-CZ3 4.17Å; L118-V179 HydrophobicContact CD1-CG1 4.45Å; L118-V179 HydrophobicContact CD1-CG2 4.26Å; L118-M190 HydrophobicContact CB-CE 4.33Å; L118-M190 HydrophobicContact CD1-CE 3.54Å; L118-M190 HydrophobicContact CD2-CE 3.4Å; L118-M190 VanDerWaalsContact CD2-CE 3.4Å; L118-M190 HydrophobicContact CG-CE 3.92Å |
| 119 | T | 93.7 | Very high | 90.5 | Very high | 21 Ų | 21 | 53.2 Ų | 53.2 | 13% | 0.129 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.6 | 174.6 | -54.1 | 0 | 0 | 0 | 0 | 109.1 | D74 T76 R126 | D74-T119 HydrophobicContact CB-CG2 3.53Å; T76-T119 WeakPolarHBondContact CG2-OG1 3.44Å; T76-T119 WeakPolarHBondContact OG1-CG2 3.45Å; T76-T119 PolarHBondContact OG1-OG1 3.16Å; T119-R126 PolarHBondContact N-O 3.27Å; T119-R126 PolarHBondContact O-N 3.26Å |
| 120 | V | 93.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 117.8 | 174.3 | -177.4 | 0 | 0 | 0 | 0 | 108 | P75 L118 L193 L194 | P75-V120 PolarHBondContact O-N 3Å; L118-V120 HydrophobicContact CD2-CG2 3.62Å; V120-L193 HydrophobicContact CB-CD2 3.74Å; V120-L193 HydrophobicContact CB-CG 4.36Å; V120-L193 HydrophobicContact CG1-CD2 3.94Å; V120-L193 HydrophobicContact CG1-CG 4Å; V120-L193 HydrophobicContact CG2-CD2 4.13Å; V120-L194 HydrophobicContact CG1-CB 4.39Å; V120-L194 HydrophobicContact CG1-CD1 4.01Å |
| 121 | S | 90.8 | Very high | 90.6 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 167.1 | -176.9 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | D74 Q123 G124 | D74-S121 WeakPolarHBondContact OD2-CB 3.41Å; D74-S121 PolarHBondContact OD2-OG 3.33Å; S121-Q123 PolarHBondContact O-N 3.43Å; S121-G124 PolarHBondContact N-O 3.47Å; S121-G124 PolarHBondContact O-N 2.75Å |
| 122 | S | 87.2 | Confident | 89.7 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.7 | 173.6 | 59 | 0 | 0 | 0 | 0 | 113.4 | L143 | S122-L143 WeakPolarHBondContact O-CD2 3.42Š|
| 123 | Q | 88.5 | Confident | 88.6 | Confident | 124 Ų | 124 | 59.5 Ų | 59.5 | 58% | 0.579 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -22.1 | 175.4 | -63.1 | -63.2 | -37.6 | 0 | 0 | 113 | S121 L143 | S121-Q123 PolarHBondContact O-N 3.43Å; Q123-L143 PolarHBondContact O-N 3.14Å |
| 124 | G | 91.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.3 | -149.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S121 Y141 | S121-G124 PolarHBondContact N-O 3.47Å; S121-G124 PolarHBondContact O-N 2.75Å; G124-Y141 CarbonylContact C-O 3.19Å; G124-Y141 VanDerWaalsContact CA-O 3.3Å; G124-Y141 WeakPolarHBondContact CA-O 3.47Å |
| 125 | I | 94.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.4 | -177.9 | -54.6 | 172.8 | 0 | 0 | 0 | 109.5 | L118 M127 Y141 I146 W161 L194 | L118-I125 HydrophobicContact CD1-CG2 3.92Å; L118-I125 HydrophobicContact CD2-CG2 3.86Å; L118-I125 HydrophobicContact CG-CG2 3.6Å; I125-M127 HydrophobicContact CG2-CG 4.25Å; I125-M127 HydrophobicContact CG2-SD 4.1Å; I125-Y141 HydrophobicContact CB-CD2 4.4Å; I125-Y141 PolarHBondContact N-O 3.42Å; I125-Y141 PolarHBondContact O-N 3.22Å; I125-I146 HydrophobicContact CD1-CD1 3.78Å; I125-I146 HydrophobicContact CG1-CD1 3.88Å; I125-W161 HydrophobicContact CD1-CD2 3.83Å; I125-W161 HydrophobicContact CD1-CE3 4.29Å; I125-W161 HydrophobicContact CD1-CG 4.02Å; I125-W161 HydrophobicContact CD1-CZ2 4.42Å; I125-L194 HydrophobicContact CD1-CD1 4.26Å; I125-L194 HydrophobicContact CD1-CD2 3.78Å; I125-L194 HydrophobicContact CG1-CD1 3.85Å; I125-L194 HydrophobicContact CG1-CD2 4.3Å |
| 126 | R | 93.4 | Very high | 84.6 | Confident | 114 Ų | 114 | 70.5 Ų | 70.5 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.2 | 172 | -172.1 | -174.4 | -59.2 | -78.7 | -2.4 | 109.6 | L118 T119 V128 L140 | L118-R126 WeakPolarHBondContact CA-O 3.39Å; T119-R126 PolarHBondContact N-O 3.27Å; T119-R126 PolarHBondContact O-N 3.26Å; R126-V128 HydrophobicContact CG-CG2 3.93Å; R126-L140 HydrophobicContact CB-CD1 4.23Å |
| 127 | M | 93.1 | Very high | 83.7 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 114.4 | 175.6 | -64.1 | -62.6 | -71.5 | 0 | 0 | 109.2 | V79 Y81 M116 R117 L118 I125 G138 H139 Y141 W161 V179 | V79-M127 HydrophobicContact CG2-CE 3.92Å; Y81-M127 HydrophobicContact CD2-CE 4.48Å; M116-M127 HydrophobicContact CB-CE 3.62Å; M116-M127 HydrophobicContact CG-CE 4.23Å; M116-M127 HydrophobicContact SD-CB 4.26Å; M116-M127 HydrophobicContact SD-CE 3.61Å; R117-M127 WeakPolarHBondContact O-CA 3.21Å; L118-M127 HydrophobicContact CB-CE 4.29Å; L118-M127 HydrophobicContact CB-SD 3.46Å; L118-M127 WeakPolarHBondContact CB-SD 3.45Å; L118-M127 HydrophobicContact CD1-CE 4.35Å; L118-M127 HydrophobicContact CD1-SD 3.48Å; L118-M127 WeakPolarHBondContact CD1-SD 3.49Å; L118-M127 HydrophobicContact CG-SD 3.38Å; L118-M127 WeakPolarHBondContact CG-SD 3.47Å; I125-M127 HydrophobicContact CG2-CG 4.25Å; I125-M127 HydrophobicContact CG2-SD 4.1Å; M127-G138 CarbonylContact O-C 3.29Å; M127-G138 VanDerWaalsContact O-C 3.29Å; M127-G138 WeakPolarHBondContact O-CA 3.33Å; M127-H139 HydrophobicContact CB-CB 4.24Å; M127-H139 PolarHBondContact N-O 3.24Å; M127-H139 PolarHBondContact O-N 3.35Å; M127-Y141 HydrophobicContact CG-CD2 4.21Å; M127-Y141 HydrophobicContact CG-CE2 3.85Å; M127-W161 HydrophobicContact SD-CH2 4.46Å; M127-V179 HydrophobicContact CE-CG1 4.07Å |
| 128 | V | 92.3 | Very high | 83.2 | Confident | 36 Ų | 36 | 72 Ų | 72 | 22% | 0.218 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143.2 | 176.8 | -172.3 | 0 | 0 | 0 | 0 | 108.6 | M116 R117 R126 | M116-V128 CarbonylContact C-O 3.45Å; M116-V128 VanDerWaalsContact CA-O 3.29Å; M116-V128 WeakPolarHBondContact CA-O 3.34Å; R117-V128 PolarHBondContact N-O 2.9Å; R117-V128 PolarHBondContact O-N 3.35Å; R126-V128 HydrophobicContact CG-CG2 3.93Å |
| 129 | H | 91.1 | Very high | 82.9 | Confident | 26 Ų | 26 | 76.1 Ų | 76.1 | 12% | 0.12 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 143.6 | 171.6 | -75 | -90.1 | 0 | 0 | 0 | 110.3 | D131 A134 | H129-D131 VanDerWaalsContact C-N 3.28Å; H129-A134 HydrophobicContact CB-CB 3.98Å |
| 130 | V | 86.9 | Confident | 82.9 | Confident | 56 Ų | 56 | 78.7 Ų | 78.7 | 34% | 0.339 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -67.2 | -39.2 | 173.1 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | T78 K115 R117 D132 | T78-V130 HydrophobicContact CG2-CG2 4.03Å; K115-V130 HydrophobicContact CB-CB 4.44Å; K115-V130 HydrophobicContact CB-CG2 4.07Å; K115-V130 PolarHBondContact O-N 3.15Å; R117-V130 HydrophobicContact CG-CG2 3.88Å; V130-D132 PolarHBondContact O-N 3.04Å |
| 131 | D | 82.7 | Confident | 82.9 | Confident | 109 Ų | 109 | 79.3 Ų | 79.3 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -87.4 | 106.2 | 176.8 | -57.3 | -46.9 | 0 | 0 | 0 | 110 | H129 K133 A134 | H129-D131 VanDerWaalsContact C-N 3.28Å; D131-K133 PolarHBondContact O-N 2.88Å; D131-A134 WeakPolarHBondContact O-CB 3.21Å; D131-A134 PolarHBondContact O-N 2.85Å |
| 132 | D | 66.2 | Low | 83 | Confident | 144 Ų | 144 | 81.5 Ų | 81.5 | 77% | 0.77 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -9.1 | 178.7 | -127.9 | 10.7 | 0 | 0 | 0 | 113.1 | V130 A134 | V130-D132 PolarHBondContact O-N 3.04Å; D132-A134 VanDerWaalsContact C-N 3.26Å |
| 133 | K | 63.6 | Low | 83.2 | Confident | 205 Ų | 205 | 78.7 Ų | 78.7 | 89% | 0.891 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -14.1 | 173.9 | -53.1 | -172.3 | -167.1 | -171.6 | 0 | 112.6 | D131 K135 | D131-K133 PolarHBondContact O-N 2.88Å; K133-K135 PolarHBondContact O-N 3.36Å |
| 134 | A | 62.3 | Low | 83.2 | Confident | 39 Ų | 39 | 79.6 Ų | 79.6 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | trans | -72.7 | 112.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | H129 D131 D132 R136 | H129-A134 HydrophobicContact CB-CB 3.98Å; D131-A134 WeakPolarHBondContact O-CB 3.21Å; D131-A134 PolarHBondContact O-N 2.85Å; D132-A134 VanDerWaalsContact C-N 3.26Å; A134-R136 PolarHBondContact O-N 3.15Å | ||
| 135 | K | 57.7 | Low | 83.2 | Confident | 214 Ų | 214 | 82.4 Ų | 82.4 | 93% | 0.93 | 41% | 0.407 | S | S | * | . | trans | -62.1 | 9.6 | -178.8 | -145.9 | 177.8 | -174.9 | -178.9 | 0 | 115 | K133 | K133-K135 PolarHBondContact O-N 3.36Š| ||
| 136 | R | 68.1 | Low | 83.1 | Confident | 183 Ų | 183 | 82.7 Ų | 82.7 | 69% | 0.691 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -99.8 | 126.8 | -176.8 | -72.2 | -166.7 | 172.9 | 85.2 | 2 | 110.2 | A134 | A134-R136 PolarHBondContact O-N 3.15Š|
| 137 | P | 73.8 | Confident | 83 | Confident | 106 Ų | 106 | 77.7 Ų | 77.7 | 69% | 0.688 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -62 | 143.6 | 174.9 | 27.4 | -33.6 | 0 | 0 | 0 | 109.9 | ||
| 138 | G | 80.9 | Confident | 83 | Confident | 41 Ų | 41 | 77.8 Ų | 77.8 | 42% | 0.423 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 144.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M127 | M127-G138 CarbonylContact O-C 3.29Å; M127-G138 VanDerWaalsContact O-C 3.29Å; M127-G138 WeakPolarHBondContact O-CA 3.33Å |
| 139 | H | 89.9 | Confident | 83 | Confident | 87 Ų | 87 | 76.1 Ų | 76.1 | 40% | 0.403 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.7 | 177.8 | -59.8 | -56.5 | 0 | 0 | 0 | 110.5 | M127 Y141 | M127-H139 HydrophobicContact CB-CB 4.24Å; M127-H139 PolarHBondContact N-O 3.24Å; M127-H139 PolarHBondContact O-N 3.35Å; H139-Y141 HydrophobicContact CB-CE2 4.04Å |
| 140 | L | 93 | Very high | 83.2 | Confident | 74 Ų | 74 | 75.1 Ų | 75.1 | 39% | 0.387 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.1 | 174.2 | -177.7 | 66.6 | 0 | 0 | 0 | 109.3 | R126 | R126-L140 HydrophobicContact CB-CD1 4.23Å |
| 141 | Y | 93.8 | Very high | 83.6 | Confident | 16 Ų | 16 | 72.6 Ų | 72.6 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 111.8 | 172.6 | -61 | -82.5 | 0 | 0 | 0 | 108.5 | G124 I125 M127 H139 W161 Y163 H177 | G124-Y141 CarbonylContact C-O 3.19Å; G124-Y141 VanDerWaalsContact CA-O 3.3Å; G124-Y141 WeakPolarHBondContact CA-O 3.47Å; I125-Y141 HydrophobicContact CB-CD2 4.4Å; I125-Y141 PolarHBondContact N-O 3.42Å; I125-Y141 PolarHBondContact O-N 3.22Å; M127-Y141 HydrophobicContact CG-CD2 4.21Å; M127-Y141 HydrophobicContact CG-CE2 3.85Å; H139-Y141 HydrophobicContact CB-CE2 4.04Å; Y141-W161 HydrophobicContact CD2-CZ2 4.01Å; Y141-W161 AromaticContact CE2-CZ2 3.84Å; Y141-W161 HydrophobicContact CE2-CZ2 3.84Å; Y141-W161 AromaticContact CG-NE1 3.99Å; Y141-Y163 AromaticContact CD1-CD1 3.93Å; Y141-Y163 HydrophobicContact CD1-CD1 3.93Å; Y141-Y163 AromaticContact CD1-CD2 3.62Å; Y141-Y163 HydrophobicContact CD1-CD2 3.62Å; Y141-Y163 HydrophobicContact CD1-CE1 4.13Å; Y141-Y163 AromaticContact CD1-CE2 3.82Å; Y141-Y163 HydrophobicContact CD1-CE2 3.82Å; Y141-Y163 AromaticContact CD1-CG 3.64Å; Y141-Y163 HydrophobicContact CD1-CG 3.64Å; Y141-Y163 HydrophobicContact CE1-CD1 4.31Å; Y141-Y163 HydrophobicContact CE1-CG 4.27Å; Y141-Y163 HydrophobicContact CG-CD2 4.25Å; Y141-Y163 HydrophobicContact CG-CE2 4.33Å; Y141-H177 AromaticContact CE1-CD2 3.98Å; Y141-H177 AromaticContact CE1-CE1 3.74Å; Y141-H177 AromaticContact CE1-NE2 3.55Å; Y141-H177 AromaticContact CZ-CE1 3.83Å; Y141-H177 PolarHBondContact OH-CE1 3.09Å; Y141-H177 VanDerWaalsContact OH-CE1 3.24Å; Y141-H177 PolarHBondContact OH-ND1 2.86Å |
| 142 | L | 92.7 | Very high | 84 | Confident | 59 Ų | 59 | 67.7 Ų | 67.7 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 138.1 | -177.5 | -69.4 | 84 | 0 | 0 | 0 | 110.9 | H144 R145 I146 | L142-H144 VanDerWaalsContact C-N 3.32Å; L142-H144 WeakPolarHBondContact CD2-CE1 3.44Å; L142-H144 PolarHBondContact O-N 3.2Å; L142-R145 PolarHBondContact O-N 2.85Å; L142-I146 PolarHBondContact O-N 3.21Å |
| 143 | L | 91 | Very high | 85.1 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -58.5 | -41.7 | -173.9 | -163.6 | 56.3 | 0 | 0 | 0 | 112.7 | S122 Q123 R145 I146 L194 T197 A201 | S122-L143 WeakPolarHBondContact O-CD2 3.42Å; Q123-L143 PolarHBondContact O-N 3.14Å; L143-R145 PolarHBondContact O-N 3.03Å; L143-R145 VanDerWaalsContact O-N 3.14Å; L143-I146 HydrophobicContact CD1-CD1 4.48Å; L143-I146 PolarHBondContact O-N 2.98Å; L143-I146 VanDerWaalsContact O-N 3.1Å; L143-L194 HydrophobicContact CD1-CD1 3.71Å; L143-T197 HydrophobicContact CD2-CG2 4.25Å; L143-A201 HydrophobicContact CD2-CB 3.72Å |
| 144 | H | 88.6 | Confident | 86.3 | Confident | 143 Ų | 143 | 64 Ų | 64 | 66% | 0.662 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -67.8 | -11.1 | 179.7 | 68.9 | -97 | 0 | 0 | 0 | 114.3 | L142 | L142-H144 VanDerWaalsContact C-N 3.32Å; L142-H144 WeakPolarHBondContact CD2-CE1 3.44Å; L142-H144 PolarHBondContact O-N 3.2Å |
| 145 | R | 91.3 | Very high | 87.7 | Confident | 60 Ų | 60 | 64.3 Ų | 64.3 | 23% | 0.226 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -101.9 | -8.1 | 175.9 | -64.2 | -174.8 | -179.3 | -150.4 | -1.3 | 112.7 | L142 L143 Y163 R164 E166 | L142-R145 PolarHBondContact O-N 2.85Å; L143-R145 PolarHBondContact O-N 3.03Å; L143-R145 VanDerWaalsContact O-N 3.14Å; R145-Y163 HydrophobicContact CB-CD2 3.97Å; R145-Y163 HydrophobicContact CB-CE2 3.4Å; R145-Y163 VanDerWaalsContact CB-CE2 3.4Å; R145-Y163 VanDerWaalsContact CD-OH 3.31Å; R145-Y163 WeakPolarHBondContact CD-OH 3.4Å; R145-Y163 HydrophobicContact CG-CE2 4.42Å; R145-R164 HydrophobicContact CB-CB 4.36Å; R145-R164 WeakPolarHBondContact O-CB 3.4Å; R145-R164 PolarHBondContact O-N 3.46Å; R145-E166 VanDerWaalsContact CZ-CD 3.43Å; R145-E166 IonicContact CZ-OE1 2.7Å; R145-E166 VanDerWaalsContact CZ-OE1 3.31Å; R145-E166 IonicContact CZ-OE2 3.26Å; R145-E166 IonicContact NH1-OE1 3.2Å; R145-E166 IonicContact NH1-OE2 3.37Å; R145-E166 PolarHBondContact NH1-OE2 2.98Å; R145-E166 IonicContact NH2-OE1 2.73Å; R145-E166 PolarHBondContact NH2-OE1 3.15Å; R145-E166 IonicContact NH2-OE2 3.19Å; R145-E166 PolarHBondContact NH2-OE2 2.68Å |
| 146 | I | 92.6 | Very high | 89.3 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 122.4 | 174.6 | -57.8 | 170 | 0 | 0 | 0 | 107.6 | I125 L142 L143 W161 I162 Y163 L194 M301 | I125-I146 HydrophobicContact CD1-CD1 3.78Å; I125-I146 HydrophobicContact CG1-CD1 3.88Å; L142-I146 PolarHBondContact O-N 3.21Å; L143-I146 HydrophobicContact CD1-CD1 4.48Å; L143-I146 PolarHBondContact O-N 2.98Å; L143-I146 VanDerWaalsContact O-N 3.1Å; I146-W161 HydrophobicContact CG2-CB 4.23Å; I146-I162 WeakPolarHBondContact CA-O 3.42Å; I146-Y163 HydrophobicContact CG1-CD2 3.92Å; I146-Y163 HydrophobicContact CG1-CE2 4.47Å; I146-L194 HydrophobicContact CD1-CD1 4.42Å; I146-L194 HydrophobicContact CG2-CD2 4.49Å; I146-M301 HydrophobicContact CB-SD 4.07Å; I146-M301 HydrophobicContact CG2-CG 4.42Å; I146-M301 HydrophobicContact CG2-SD 3.51Å; I146-M301 VanDerWaalsContact CG2-SD 3.51Å |
| 147 | T | 91.5 | Very high | 90.5 | Very high | 9 Ų | 9 | 53.4 Ų | 53.4 | 6% | 0.055 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -32.8 | -172.9 | 46.1 | 0 | 0 | 0 | 0 | 112.5 | S90 I162 S302 | S90-T147 WeakPolarHBondContact O-CB 3.37Å; S90-T147 PolarHBondContact O-OG1 3.47Å; T147-I162 PolarHBondContact N-O 3.11Å; T147-I162 WeakPolarHBondContact OG1-CG2 3.48Å; T147-I162 PolarHBondContact OG1-O 2.96Å; T147-S302 PolarHBondContact O-N 3.39Å; T147-S302 PolarHBondContact O-OG 3.44Å; T147-S302 VanDerWaalsContact O-OG 3.09Å |
| 148 | Y | 92.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 143.6 | -176.2 | -177.1 | -108.9 | 0 | 0 | 0 | 111.3 | S90 G92 C95 T96 V150 W161 I162 S302 G304 | S90-Y148 WeakPolarHBondContact O-CB 3.42Å; G92-Y148 PolarHBondContact O-OH 2.77Å; C95-Y148 WeakPolarHBondContact SG-CD1 3.39Å; C95-Y148 WeakPolarHBondContact SG-CE1 3.31Å; T96-Y148 HydrophobicContact CG2-CD1 3.6Å; T96-Y148 HydrophobicContact CG2-CE1 3.56Å; Y148-V150 HydrophobicContact CD1-CB 4.45Å; Y148-V150 HydrophobicContact CD1-CG1 4.33Å; Y148-V150 HydrophobicContact CE1-CB 3.69Å; Y148-V150 HydrophobicContact CE1-CG1 3.71Å; Y148-V150 HydrophobicContact CE1-CG2 4.45Å; Y148-W161 CarbonylContact O-C 3.6Å; Y148-W161 VanDerWaalsContact O-CA 3.24Å; Y148-W161 WeakPolarHBondContact O-CA 3.36Å; Y148-W161 WeakPolarHBondContact O-CB 3.47Å; Y148-I162 HydrophobicContact CD1-CD1 3.97Å; Y148-I162 HydrophobicContact CD1-CG1 4.26Å; Y148-I162 HydrophobicContact CG-CD1 4.36Å; Y148-I162 PolarHBondContact O-N 3.19Å; Y148-S302 VanDerWaalsContact CA-O 3.3Å; Y148-S302 WeakPolarHBondContact CA-O 3.46Å; Y148-S302 WeakPolarHBondContact CD2-O 3.41Å; Y148-S302 WeakPolarHBondContact CD2-OG 3.4Å; Y148-G304 VanDerWaalsContact CE2-CA 3.49Å; Y148-G304 VanDerWaalsContact CZ-CA 3.41Å; Y148-G304 WeakPolarHBondContact OH-CA 3.27Å |
| 149 | C | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 145.6 | 172.3 | 68.8 | 0 | 0 | 0 | 0 | 110.9 | F159 W161 L194 M301 S302 I303 G304 | C149-F159 HydrophobicContact CB-CE2 4.35Å; C149-F159 HydrophobicContact CB-CZ 4.47Å; C149-W161 HydrophobicContact CB-CB 4.49Å; C149-L194 HydrophobicContact CB-CD2 3.84Å; C149-M301 HydrophobicContact CB-CE 4.46Å; C149-M301 HydrophobicContact CB-SD 4.39Å; C149-S302 PolarHBondContact N-O 2.88Å; C149-S302 VanDerWaalsContact N-O 3.08Å; C149-I303 WeakPolarHBondContact O-CA 3.47Å; C149-G304 PolarHBondContact O-N 3.03Å |
| 150 | V | 94.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 142 | -177.2 | 65.7 | 0 | 0 | 0 | 0 | 111.3 | T96 Y148 F159 A160 N305 | T96-V150 HydrophobicContact CG2-CG1 3.88Å; T96-V150 WeakPolarHBondContact OG1-CG1 3.23Å; Y148-V150 HydrophobicContact CD1-CB 4.45Å; Y148-V150 HydrophobicContact CD1-CG1 4.33Å; Y148-V150 HydrophobicContact CE1-CB 3.69Å; Y148-V150 HydrophobicContact CE1-CG1 3.71Å; Y148-V150 HydrophobicContact CE1-CG2 4.45Å; V150-F159 WeakPolarHBondContact O-CD2 3.47Å; V150-A160 HydrophobicContact CG1-CB 4.04Å; V150-A160 PolarHBondContact N-O 3.19Å; V150-A160 PolarHBondContact O-N 2.83Å; V150-N305 WeakPolarHBondContact CA-OD1 3.48Å; V150-N305 WeakPolarHBondContact CG2-OD1 3.4Å |
| 151 | A | 94.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 114.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | A187 K188 A191 N305 | A151-A187 HydrophobicContact CB-CB 4.3Å; A151-K188 HydrophobicContact CB-CG 4.06Å; A151-A191 HydrophobicContact CB-CB 4.31Å; A151-N305 PolarHBondContact N-OD1 2.8Å; A151-N305 PolarHBondContact O-ND2 2.88Å |
| 152 | D | 92.1 | Very high | 92.7 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | trans | -61.2 | 123.3 | -170.7 | -176.8 | -16.6 | 0 | 0 | 0 | 110.4 | V100 R154 L155 P156 I158 | V100-D152 WeakPolarHBondContact CG1-OD2 3.26Å; D152-R154 VanDerWaalsContact C-N 3.3Å; D152-R154 PolarHBondContact O-N 3.07Å; D152-R154 WeakPolarHBondContact OD1-CB 3.46Å; D152-R154 PolarHBondContact OD1-N 3.06Å; D152-L155 HydrophobicContact CB-CB 4.34Å; D152-L155 CarbonylContact O-C 3.54Å; D152-L155 PolarHBondContact OD1-N 3.1Å; D152-P156 VanDerWaalsContact O-CA 3.28Å; D152-P156 WeakPolarHBondContact O-CA 3.32Å; D152-I158 HydrophobicContact CB-CB 4.4Å; D152-I158 PolarHBondContact N-O 2.86Å | ||
| 153 | P | 88.6 | Confident | 92.8 | Very high | 105 Ų | 105 | 36 Ų | 36 | 68% | 0.682 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -67.6 | -28.5 | 178.7 | 27.1 | -34.2 | 0 | 0 | 0 | 113.1 | ||
| 154 | R | 89.4 | Confident | 92.8 | Very high | 166 Ų | 166 | 39.1 Ų | 39.1 | 63% | 0.626 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -78 | -39.1 | 178.4 | -57.3 | -178.6 | -176 | 152.3 | 13.7 | 111 | D97 D152 P156 | D97-R154 IonicContact OD2-CZ 3.4Å; D97-R154 IonicContact OD2-NH1 3.76Å; D97-R154 PolarHBondContact OD2-NH1 2.96Å; D97-R154 IonicContact OD2-NH2 2.98Å; D97-R154 PolarHBondContact OD2-NH2 3.36Å; D152-R154 VanDerWaalsContact C-N 3.3Å; D152-R154 PolarHBondContact O-N 3.07Å; D152-R154 WeakPolarHBondContact OD1-CB 3.46Å; D152-R154 PolarHBondContact OD1-N 3.06Å; R154-P156 WeakPolarHBondContact O-CD 3.26Å |
| 155 | L | 91.1 | Very high | 92.9 | Very high | 47 Ų | 47 | 34.5 Ų | 34.5 | 25% | 0.246 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -119.6 | 80.8 | -179.9 | -63.2 | 173.4 | 0 | 0 | 0 | 109.2 | V100 W104 D152 K157 I158 | V100-L155 HydrophobicContact CG1-CD1 4.4Å; W104-L155 HydrophobicContact CB-CD1 4.36Å; W104-L155 HydrophobicContact CD2-CD1 4.03Å; W104-L155 HydrophobicContact CG-CD1 3.86Å; D152-L155 HydrophobicContact CB-CB 4.34Å; D152-L155 CarbonylContact O-C 3.54Å; D152-L155 PolarHBondContact OD1-N 3.1Å; L155-K157 PolarHBondContact O-N 3.12Å; L155-I158 HydrophobicContact CB-CB 4.24Å; L155-I158 HydrophobicContact CB-CD1 3.68Å; L155-I158 HydrophobicContact CB-CG1 3.91Å; L155-I158 HydrophobicContact CD1-CD1 3.48Å; L155-I158 VanDerWaalsContact CD1-CD1 3.48Å; L155-I158 HydrophobicContact CG-CD1 4.18Å; L155-I158 WeakPolarHBondContact O-CB 3.33Å; L155-I158 PolarHBondContact O-N 3.34Å |
| 156 | P | 91 | Very high | 92.8 | Very high | 60 Ų | 60 | 37.5 Ų | 37.5 | 39% | 0.39 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -12.3 | -165.2 | 28.9 | -38.5 | 0 | 0 | 0 | 114.3 | D152 R154 P184 | D152-P156 VanDerWaalsContact O-CA 3.28Å; D152-P156 WeakPolarHBondContact O-CA 3.32Å; R154-P156 WeakPolarHBondContact O-CD 3.26Å; P156-P184 HydrophobicContact CB-CB 3.74Å; P156-P184 HydrophobicContact CG-CB 4.37Å; P156-P184 WeakPolarHBondContact O-CA 3.3Å; P156-P184 WeakPolarHBondContact O-CB 3.34Å |
| 157 | K | 94.2 | Very high | 92.5 | Very high | 108 Ų | 108 | 41.6 Ų | 41.6 | 47% | 0.47 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -9.6 | 174.6 | -67.3 | -177.5 | -178.7 | 178.2 | 0 | 113.4 | L155 L180 V181 | L155-K157 PolarHBondContact O-N 3.12Å; K157-L180 HydrophobicContact CB-CD1 3.63Å; K157-V181 PolarHBondContact O-N 3.31Å |
| 158 | I | 95.3 | Very high | 92 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 128.5 | -179 | -61.9 | -175.8 | 0 | 0 | 0 | 109.5 | L82 V100 W104 D152 L155 A178 V179 L180 | L82-I158 HydrophobicContact CD1-CD1 4.24Å; V100-I158 HydrophobicContact CG1-CD1 4.05Å; V100-I158 HydrophobicContact CG1-CG2 4.08Å; W104-I158 HydrophobicContact CD2-CD1 4.14Å; W104-I158 HydrophobicContact CE3-CD1 3.61Å; W104-I158 HydrophobicContact CZ3-CD1 4.02Å; D152-I158 HydrophobicContact CB-CB 4.4Å; D152-I158 PolarHBondContact N-O 2.86Å; L155-I158 HydrophobicContact CB-CB 4.24Å; L155-I158 HydrophobicContact CB-CD1 3.68Å; L155-I158 HydrophobicContact CB-CG1 3.91Å; L155-I158 HydrophobicContact CD1-CD1 3.48Å; L155-I158 VanDerWaalsContact CD1-CD1 3.48Å; L155-I158 HydrophobicContact CG-CD1 4.18Å; L155-I158 WeakPolarHBondContact O-CB 3.33Å; L155-I158 PolarHBondContact O-N 3.34Å; I158-A178 HydrophobicContact CG2-CB 4.1Å; I158-V179 WeakPolarHBondContact CA-O 3.32Å; I158-L180 HydrophobicContact CG1-CD1 4.16Å |
| 159 | F | 96.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.1 | 166.4 | 173.2 | -113.7 | 0 | 0 | 0 | 108.6 | C149 V150 W161 V179 V181 A187 M190 A191 L194 | C149-F159 HydrophobicContact CB-CE2 4.35Å; C149-F159 HydrophobicContact CB-CZ 4.47Å; V150-F159 WeakPolarHBondContact O-CD2 3.47Å; F159-W161 AromaticContact CD1-CE3 3.98Å; F159-W161 HydrophobicContact CD1-CE3 3.98Å; F159-W161 HydrophobicContact CD1-CZ3 4.13Å; F159-W161 AromaticContact CE1-CE3 3.7Å; F159-W161 HydrophobicContact CE1-CE3 3.7Å; F159-W161 HydrophobicContact CE1-CZ3 4.13Å; F159-W161 HydrophobicContact CZ-CE3 4.47Å; F159-V179 HydrophobicContact CB-CG2 3.82Å; F159-V179 HydrophobicContact CD1-CG2 3.77Å; F159-V179 HydrophobicContact CG-CG2 4.29Å; F159-V179 PolarHBondContact N-O 3.31Å; F159-V179 WeakPolarHBondContact O-CG2 3.36Å; F159-V179 PolarHBondContact O-N 2.8Å; F159-V181 HydrophobicContact CB-CG2 4.43Å; F159-A187 HydrophobicContact CB-CB 4.12Å; F159-M190 HydrophobicContact CD1-CB 4.41Å; F159-M190 HydrophobicContact CD1-CE 3.88Å; F159-M190 HydrophobicContact CD2-CB 4.42Å; F159-M190 HydrophobicContact CE1-CB 4.48Å; F159-M190 HydrophobicContact CE1-CE 4.26Å; F159-M190 HydrophobicContact CG-CB 4.37Å; F159-A191 HydrophobicContact CD2-CB 3.98Å; F159-A191 VanDerWaalsContact CE2-CA 3.47Å; F159-A191 HydrophobicContact CE2-CB 3.65Å; F159-L194 HydrophobicContact CZ-CD2 3.95Å |
| 160 | A | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 148.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V100 V150 H177 A178 | V100-A160 HydrophobicContact CG2-CB 3.77Å; V150-A160 HydrophobicContact CG1-CB 4.04Å; V150-A160 PolarHBondContact N-O 3.19Å; V150-A160 PolarHBondContact O-N 2.83Å; A160-H177 WeakPolarHBondContact CA-O 3.41Å; A160-H177 WeakPolarHBondContact CB-O 3.43Å; A160-A178 HydrophobicContact CB-CB 4.43Å |
| 161 | W | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 152.4 | 173.5 | 69.9 | 95.8 | 0 | 0 | 0 | 111 | L118 I125 M127 Y141 I146 Y148 C149 F159 C176 H177 V179 | L118-W161 HydrophobicContact CD1-CH2 4.28Å; L118-W161 HydrophobicContact CD1-CZ3 4.17Å; I125-W161 HydrophobicContact CD1-CD2 3.83Å; I125-W161 HydrophobicContact CD1-CE3 4.29Å; I125-W161 HydrophobicContact CD1-CG 4.02Å; I125-W161 HydrophobicContact CD1-CZ2 4.42Å; M127-W161 HydrophobicContact SD-CH2 4.46Å; Y141-W161 HydrophobicContact CD2-CZ2 4.01Å; Y141-W161 AromaticContact CE2-CZ2 3.84Å; Y141-W161 HydrophobicContact CE2-CZ2 3.84Å; Y141-W161 AromaticContact CG-NE1 3.99Å; I146-W161 HydrophobicContact CG2-CB 4.23Å; Y148-W161 CarbonylContact O-C 3.6Å; Y148-W161 VanDerWaalsContact O-CA 3.24Å; Y148-W161 WeakPolarHBondContact O-CA 3.36Å; Y148-W161 WeakPolarHBondContact O-CB 3.47Å; C149-W161 HydrophobicContact CB-CB 4.49Å; F159-W161 AromaticContact CD1-CE3 3.98Å; F159-W161 HydrophobicContact CD1-CE3 3.98Å; F159-W161 HydrophobicContact CD1-CZ3 4.13Å; F159-W161 AromaticContact CE1-CE3 3.7Å; F159-W161 HydrophobicContact CE1-CE3 3.7Å; F159-W161 HydrophobicContact CE1-CZ3 4.13Å; F159-W161 HydrophobicContact CZ-CE3 4.47Å; W161-C176 WeakPolarHBondContact O-CA 3.41Å; W161-H177 HydrophobicContact CD2-CB 3.84Å; W161-H177 VanDerWaalsContact CE2-CB 3.41Å; W161-H177 AromaticContact CE2-CG 3.96Å; W161-H177 HydrophobicContact CE3-CB 4.2Å; W161-H177 HydrophobicContact CG-CB 4.48Å; W161-H177 HydrophobicContact CH2-CB 3.83Å; W161-H177 HydrophobicContact CZ2-CB 3.42Å; W161-H177 VanDerWaalsContact CZ2-CB 3.42Å; W161-H177 AromaticContact CZ2-CG 3.95Å; W161-H177 HydrophobicContact CZ3-CB 4.2Å; W161-H177 PolarHBondContact N-O 3.42Å; W161-H177 AromaticContact NE1-CD2 3.78Å; W161-H177 AromaticContact NE1-CG 3.98Å; W161-H177 PolarHBondContact O-N 3.46Å; W161-V179 HydrophobicContact CH2-CG1 3.8Å; W161-V179 HydrophobicContact CZ3-CB 4.49Å; W161-V179 HydrophobicContact CZ3-CG1 3.71Å; W161-V179 HydrophobicContact CZ3-CG2 4.08Å |
| 162 | I | 95 | Very high | 90 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 121.3 | 176.5 | -58 | 178.4 | 0 | 0 | 0 | 108.9 | T87 C95 T96 I146 T147 Y148 L174 R175 | T87-I162 HydrophobicContact CG2-CD1 4.08Å; T87-I162 HydrophobicContact CG2-CG1 4.34Å; T87-I162 HydrophobicContact CG2-CG2 3.93Å; C95-I162 HydrophobicContact CB-CD1 4.46Å; T96-I162 HydrophobicContact CG2-CD1 3.86Å; T96-I162 HydrophobicContact CG2-CG1 3.89Å; I146-I162 WeakPolarHBondContact CA-O 3.42Å; T147-I162 PolarHBondContact N-O 3.11Å; T147-I162 WeakPolarHBondContact OG1-CG2 3.48Å; T147-I162 PolarHBondContact OG1-O 2.96Å; Y148-I162 HydrophobicContact CD1-CD1 3.97Å; Y148-I162 HydrophobicContact CD1-CG1 4.26Å; Y148-I162 HydrophobicContact CG-CD1 4.36Å; Y148-I162 PolarHBondContact O-N 3.19Å; I162-L174 HydrophobicContact CG2-CB 4.12Å; I162-L174 HydrophobicContact CG2-CD2 4.31Å; I162-R175 WeakPolarHBondContact CA-O 3.31Å |
| 163 | Y | 93.6 | Very high | 89.9 | Confident | 14 Ų | 14 | 75.6 Ų | 75.6 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136 | 177.9 | -170.9 | -102.4 | 0 | 0 | 0 | 111.3 | Y141 R145 I146 H165 R175 | Y141-Y163 AromaticContact CD1-CD1 3.93Å; Y141-Y163 HydrophobicContact CD1-CD1 3.93Å; Y141-Y163 AromaticContact CD1-CD2 3.62Å; Y141-Y163 HydrophobicContact CD1-CD2 3.62Å; Y141-Y163 HydrophobicContact CD1-CE1 4.13Å; Y141-Y163 AromaticContact CD1-CE2 3.82Å; Y141-Y163 HydrophobicContact CD1-CE2 3.82Å; Y141-Y163 AromaticContact CD1-CG 3.64Å; Y141-Y163 HydrophobicContact CD1-CG 3.64Å; Y141-Y163 HydrophobicContact CE1-CD1 4.31Å; Y141-Y163 HydrophobicContact CE1-CG 4.27Å; Y141-Y163 HydrophobicContact CG-CD2 4.25Å; Y141-Y163 HydrophobicContact CG-CE2 4.33Å; R145-Y163 HydrophobicContact CB-CD2 3.97Å; R145-Y163 HydrophobicContact CB-CE2 3.4Å; R145-Y163 VanDerWaalsContact CB-CE2 3.4Å; R145-Y163 VanDerWaalsContact CD-OH 3.31Å; R145-Y163 WeakPolarHBondContact CD-OH 3.4Å; R145-Y163 HydrophobicContact CG-CE2 4.42Å; I146-Y163 HydrophobicContact CG1-CD2 3.92Å; I146-Y163 HydrophobicContact CG1-CE2 4.47Å; Y163-H165 AromaticContact CD1-CD2 3.59Å; Y163-H165 AromaticContact CD1-CE1 3.61Å; Y163-H165 AromaticContact CD1-CG 3.88Å; Y163-H165 AromaticContact CD1-ND1 3.89Å; Y163-H165 AromaticContact CD1-NE2 3.46Å; Y163-H165 WeakPolarHBondContact CD1-NE2 3.37Å; Y163-H165 AromaticContact CE1-CE1 3.68Å; Y163-H165 AromaticContact CE1-ND1 3.77Å; Y163-H165 PolarHBondContact O-N 3.44Å; Y163-R175 PolarHBondContact N-O 3.4Å; Y163-R175 PolarHBondContact O-N 2.92Å |
| 164 | R | 91.9 | Very high | 90.1 | Very high | 84 Ų | 84 | 71.7 Ų | 71.7 | 32% | 0.317 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 107.3 | 174.5 | -170.1 | -178.6 | -67.7 | -96.1 | -0.2 | 110.2 | R145 V172 L174 | R145-R164 HydrophobicContact CB-CB 4.36Å; R145-R164 WeakPolarHBondContact O-CB 3.4Å; R145-R164 PolarHBondContact O-N 3.46Å; R164-V172 HydrophobicContact CG-CG1 3.2Å; R164-L174 HydrophobicContact CB-CD2 4.38Å; R164-L174 HydrophobicContact CG-CD2 4.41Å |
| 165 | H | 90.5 | Very high | 90.3 | Very high | 45 Ų | 45 | 67.2 Ų | 67.2 | 21% | 0.208 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 131.1 | 170.3 | -77.9 | -78.4 | 0 | 0 | 0 | 110.8 | Y163 M173 H177 | Y163-H165 AromaticContact CD1-CD2 3.59Å; Y163-H165 AromaticContact CD1-CE1 3.61Å; Y163-H165 AromaticContact CD1-CG 3.88Å; Y163-H165 AromaticContact CD1-ND1 3.89Å; Y163-H165 AromaticContact CD1-NE2 3.46Å; Y163-H165 WeakPolarHBondContact CD1-NE2 3.37Å; Y163-H165 AromaticContact CE1-CE1 3.68Å; Y163-H165 AromaticContact CE1-ND1 3.77Å; Y163-H165 PolarHBondContact O-N 3.44Å; H165-M173 PolarHBondContact N-O 3.2Å; H165-M173 PolarHBondContact O-N 2.84Å; H165-H177 AromaticContact NE2-NE2 3.64Å |
| 166 | E | 89.4 | Confident | 90.5 | Very high | 123 Ų | 123 | 65 Ų | 65 | 58% | 0.575 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.2 | 166.2 | -70.2 | 163.1 | 176.9 | 0 | 0 | 108.2 | R145 | R145-E166 VanDerWaalsContact CZ-CD 3.43Å; R145-E166 IonicContact CZ-OE1 2.7Å; R145-E166 VanDerWaalsContact CZ-OE1 3.31Å; R145-E166 IonicContact CZ-OE2 3.26Å; R145-E166 IonicContact NH1-OE1 3.2Å; R145-E166 IonicContact NH1-OE2 3.37Å; R145-E166 PolarHBondContact NH1-OE2 2.98Å; R145-E166 IonicContact NH2-OE1 2.73Å; R145-E166 PolarHBondContact NH2-OE1 3.15Å; R145-E166 IonicContact NH2-OE2 3.19Å; R145-E166 PolarHBondContact NH2-OE2 2.68Å |
| 167 | M | 86.3 | Confident | 90.7 | Very high | 93 Ų | 93 | 62.2 Ų | 62.2 | 46% | 0.458 | 29% | 0.291 | S | S | . | . | trans | -99.2 | 176 | 175.1 | -59.4 | -63.6 | -77.2 | 0 | 0 | 109.3 | A171 M173 | M167-A171 WeakPolarHBondContact CA-O 3.27Å; M167-A171 HydrophobicContact CB-CB 4.21Å; M167-A171 WeakPolarHBondContact CB-O 3.4Å; M167-A171 PolarHBondContact N-O 3.35Å; M167-M173 HydrophobicContact CE-CE 3.98Å; M167-M173 HydrophobicContact CE-SD 4.28Å; M167-M173 HydrophobicContact CG-CB 3.62Å; M167-M173 HydrophobicContact SD-CB 4.09Å; M167-M173 HydrophobicContact SD-CE 3.66Å; M167-M173 HydrophobicContact SD-SD 4.37Å | ||
| 168 | K | 81.5 | Confident | 90.8 | Very high | 181 Ų | 181 | 57 Ų | 57 | 79% | 0.787 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -58.8 | 152.1 | 172.2 | -62 | -175.1 | 178.2 | -175.4 | 0 | 110 | K170 A171 | K168-K170 PolarHBondContact O-N 2.92Å; K168-A171 PolarHBondContact O-N 3.27Å |
| 169 | H | 84.7 | Confident | 90.8 | Very high | 186 Ų | 186 | 57 Ų | 57 | 86% | 0.861 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | 62 | 35.5 | -179.9 | -53 | -77.3 | 0 | 0 | 0 | 115.5 | A171 | H169-A171 PolarHBondContact O-N 2.88Š|
| 170 | K | 78.7 | Confident | 90.8 | Very high | 205 Ų | 205 | 58.6 Ų | 58.6 | 89% | 0.891 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | 59.4 | 8.8 | -179.6 | -54.6 | -179.6 | 178.5 | -178.7 | 0 | 114.2 | K168 | K168-K170 PolarHBondContact O-N 2.92Š|
| 171 | A | 83.4 | Confident | 90.8 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | trans | -69.9 | 144.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | M167 K168 H169 | M167-A171 WeakPolarHBondContact CA-O 3.27Å; M167-A171 HydrophobicContact CB-CB 4.21Å; M167-A171 WeakPolarHBondContact CB-O 3.4Å; M167-A171 PolarHBondContact N-O 3.35Å; K168-A171 PolarHBondContact O-N 3.27Å; H169-A171 PolarHBondContact O-N 2.88Å | ||
| 172 | V | 86.1 | Confident | 90.6 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.7 | -178.9 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | R164 | R164-V172 HydrophobicContact CG-CG1 3.2Å |
| 173 | M | 90.4 | Very high | 90.6 | Very high | 46 Ų | 46 | 67.9 Ų | 67.9 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128 | 175.6 | -175.5 | 174.4 | 68.6 | 0 | 0 | 110.5 | T86 H165 M167 | T86-M173 HydrophobicContact CG2-CE 4.47Å; T86-M173 HydrophobicContact CG2-CG 4.25Å; T86-M173 HydrophobicContact CG2-SD 3.67Å; H165-M173 PolarHBondContact N-O 3.2Å; H165-M173 PolarHBondContact O-N 2.84Å; M167-M173 HydrophobicContact CE-CE 3.98Å; M167-M173 HydrophobicContact CE-SD 4.28Å; M167-M173 HydrophobicContact CG-CB 3.62Å; M167-M173 HydrophobicContact SD-CB 4.09Å; M167-M173 HydrophobicContact SD-CE 3.66Å; M167-M173 HydrophobicContact SD-SD 4.37Å |
| 174 | L | 92.6 | Very high | 90.6 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130.8 | 175 | -58.2 | 169.7 | 0 | 0 | 0 | 109.6 | T87 I162 R164 | T87-L174 HydrophobicContact CG2-CB 3.74Å; T87-L174 PolarHBondContact N-O 2.98Å; T87-L174 WeakPolarHBondContact O-CB 3.42Å; I162-L174 HydrophobicContact CG2-CB 4.12Å; I162-L174 HydrophobicContact CG2-CD2 4.31Å; R164-L174 HydrophobicContact CB-CD2 4.38Å; R164-L174 HydrophobicContact CG-CD2 4.41Å |
| 175 | R | 94.2 | Very high | 90.7 | Very high | 72 Ų | 72 | 66.7 Ų | 66.7 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.9 | -179.1 | -172.5 | 173.8 | -95.2 | 175.6 | -4.1 | 109.6 | N84 A85 I162 Y163 | N84-R175 HydrophobicContact CB-CG 3.74Å; N84-R175 VanDerWaalsContact ND2-CD 3.33Å; N84-R175 WeakPolarHBondContact ND2-CD 3.35Å; N84-R175 PolarHBondContact ND2-NE 2.86Å; N84-R175 PolarHBondContact ND2-NH1 2.7Å; A85-R175 CarbonylContact O-C 3.58Å; A85-R175 WeakPolarHBondContact O-CA 3.28Å; I162-R175 WeakPolarHBondContact CA-O 3.31Å; Y163-R175 PolarHBondContact N-O 3.4Å; Y163-R175 PolarHBondContact O-N 2.92Å |
| 176 | C | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130.3 | 169.5 | -170.2 | 0 | 0 | 0 | 0 | 108.6 | N84 A85 A99 W161 | N84-C176 CarbonylContact C-O 3.53Å; N84-C176 WeakPolarHBondContact CA-O 2.93Å; A85-C176 PolarHBondContact N-O 2.7Å; A85-C176 PolarHBondContact O-N 2.67Å; A99-C176 HydrophobicContact CB-CB 3.55Å; W161-C176 WeakPolarHBondContact O-CA 3.41Å |
| 177 | H | 95.5 | Very high | 91 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139.5 | 170.2 | -66.5 | -85.7 | 0 | 0 | 0 | 108.3 | Y81 Y141 A160 W161 H165 | Y81-H177 HydrophobicContact CE2-CB 4.4Å; Y81-H177 AromaticContact CE2-ND1 3.94Å; Y81-H177 AromaticContact CZ-ND1 3.97Å; Y81-H177 PolarHBondContact OH-ND1 2.75Å; Y81-H177 VanDerWaalsContact OH-ND1 3.11Å; Y141-H177 AromaticContact CE1-CD2 3.98Å; Y141-H177 AromaticContact CE1-CE1 3.74Å; Y141-H177 AromaticContact CE1-NE2 3.55Å; Y141-H177 AromaticContact CZ-CE1 3.83Å; Y141-H177 PolarHBondContact OH-CE1 3.09Å; Y141-H177 VanDerWaalsContact OH-CE1 3.24Å; Y141-H177 PolarHBondContact OH-ND1 2.86Å; A160-H177 WeakPolarHBondContact CA-O 3.41Å; A160-H177 WeakPolarHBondContact CB-O 3.43Å; W161-H177 HydrophobicContact CD2-CB 3.84Å; W161-H177 VanDerWaalsContact CE2-CB 3.41Å; W161-H177 AromaticContact CE2-CG 3.96Å; W161-H177 HydrophobicContact CE3-CB 4.2Å; W161-H177 HydrophobicContact CG-CB 4.48Å; W161-H177 HydrophobicContact CH2-CB 3.83Å; W161-H177 HydrophobicContact CZ2-CB 3.42Å; W161-H177 VanDerWaalsContact CZ2-CB 3.42Å; W161-H177 AromaticContact CZ2-CG 3.95Å; W161-H177 HydrophobicContact CZ3-CB 4.2Å; W161-H177 PolarHBondContact N-O 3.42Å; W161-H177 AromaticContact NE1-CD2 3.78Å; W161-H177 AromaticContact NE1-CG 3.98Å; W161-H177 PolarHBondContact O-N 3.46Å; H165-H177 AromaticContact NE2-NE2 3.64Å |
| 178 | A | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L82 G83 I103 I158 A160 | L82-A178 PolarHBondContact N-O 3.48Å; L82-A178 VanDerWaalsContact N-O 3.15Å; G83-A178 PolarHBondContact O-N 3.17Å; I103-A178 HydrophobicContact CD1-CB 3.9Å; I103-A178 HydrophobicContact CG2-CB 4.11Å; I158-A178 HydrophobicContact CG2-CB 4.1Å; A160-A178 HydrophobicContact CB-CB 4.43Å |
| 179 | V | 96 | Very high | 92 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.8 | 174.5 | -61.7 | 0 | 0 | 0 | 0 | 109.8 | V79 L80 Y81 L118 M127 I158 F159 W161 V181 | V79-V179 HydrophobicContact CB-CB 4.08Å; V79-V179 HydrophobicContact CB-CG2 4.34Å; V79-V179 HydrophobicContact CG1-CG2 4.43Å; V79-V179 HydrophobicContact CG2-CB 4.02Å; V79-V179 HydrophobicContact CG2-CG1 3.99Å; V79-V179 HydrophobicContact CG2-CG2 4.42Å; L80-V179 CarbonylContact O-C 3.57Å; L80-V179 WeakPolarHBondContact O-CA 3.42Å; Y81-V179 HydrophobicContact CD2-CG1 3.91Å; L118-V179 HydrophobicContact CD1-CG1 4.45Å; L118-V179 HydrophobicContact CD1-CG2 4.26Å; M127-V179 HydrophobicContact CE-CG1 4.07Å; I158-V179 WeakPolarHBondContact CA-O 3.32Å; F159-V179 HydrophobicContact CB-CG2 3.82Å; F159-V179 HydrophobicContact CD1-CG2 3.77Å; F159-V179 HydrophobicContact CG-CG2 4.29Å; F159-V179 PolarHBondContact N-O 3.31Å; F159-V179 WeakPolarHBondContact O-CG2 3.36Å; F159-V179 PolarHBondContact O-N 2.8Å; W161-V179 HydrophobicContact CH2-CG1 3.8Å; W161-V179 HydrophobicContact CZ3-CB 4.49Å; W161-V179 HydrophobicContact CZ3-CG1 3.71Å; W161-V179 HydrophobicContact CZ3-CG2 4.08Å; V179-V181 HydrophobicContact CG2-CG2 4.46Å |
| 180 | L | 95.7 | Very high | 92.4 | Very high | 35 Ų | 35 | 42.9 Ų | 42.9 | 18% | 0.183 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 130.9 | 173.4 | -179.6 | 70 | 0 | 0 | 0 | 109.7 | L80 L82 W104 K157 I158 | L80-L180 HydrophobicContact CB-CB 4.22Å; L80-L180 HydrophobicContact CD2-CD2 4.12Å; L80-L180 PolarHBondContact N-O 2.86Å; L80-L180 PolarHBondContact O-N 2.7Å; L82-L180 HydrophobicContact CD1-CB 4.16Å; L82-L180 HydrophobicContact CD2-CB 4.04Å; L82-L180 HydrophobicContact CG-CB 4.13Å; W104-L180 HydrophobicContact CZ3-CD1 4.39Å; K157-L180 HydrophobicContact CB-CD1 3.63Å; I158-L180 HydrophobicContact CG1-CD1 4.16Å |
| 181 | V | 95.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | trans | -114.1 | 153.7 | -179.6 | -165.1 | 0 | 0 | 0 | 0 | 109.7 | V79 K157 F159 V179 K186 A187 M190 | V79-V181 HydrophobicContact CG1-CG2 4.01Å; K157-V181 PolarHBondContact O-N 3.31Å; F159-V181 HydrophobicContact CB-CG2 4.43Å; V179-V181 HydrophobicContact CG2-CG2 4.46Å; V181-K186 HydrophobicContact CG1-CB 3.49Å; V181-K186 VanDerWaalsContact CG1-CB 3.49Å; V181-K186 HydrophobicContact CG1-CD 3.93Å; V181-K186 HydrophobicContact CG1-CG 4.36Å; V181-A187 HydrophobicContact CG2-CB 4.29Å; V181-M190 HydrophobicContact CG2-SD 4.11Å | ||
| 182 | S | 92.3 | Very high | 93.6 | Very high | 71 Ų | 71 | 30.7 Ų | 30.7 | 50% | 0.497 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -66.3 | -39.3 | -178.8 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 183 | K | 93.8 | Very high | 94 | Very high | 119 Ų | 119 | 28.5 Ų | 28.5 | 52% | 0.517 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -118.9 | 137 | -177.2 | -68.4 | -173.7 | -178.7 | -179.2 | 0 | 110.6 | E185 K186 A187 | K183-E185 WeakPolarHBondContact CB-OE2 3.14Å; K183-E185 PolarHBondContact O-N 2.89Å; K183-K186 HydrophobicContact CB-CB 4.49Å; K183-K186 HydrophobicContact CB-CD 4.27Å; K183-K186 HydrophobicContact CB-CG 4.11Å; K183-K186 WeakPolarHBondContact O-CB 3.45Å; K183-K186 PolarHBondContact O-N 3.39Å; K183-K186 VanDerWaalsContact O-N 3.16Å; K183-A187 PolarHBondContact O-N 2.55Å |
| 184 | P | 93.6 | Very high | 94.1 | Very high | 34 Ų | 34 | 26.3 Ų | 26.3 | 22% | 0.221 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.5 | -28.2 | 178 | 28.2 | -34.8 | 0 | 0 | 0 | 112.8 | P156 K186 A187 K188 | P156-P184 HydrophobicContact CB-CB 3.74Å; P156-P184 HydrophobicContact CG-CB 4.37Å; P156-P184 WeakPolarHBondContact O-CA 3.3Å; P156-P184 WeakPolarHBondContact O-CB 3.34Å; P184-K186 PolarHBondContact O-N 3.2Å; P184-A187 PolarHBondContact O-N 3.41Å; P184-K188 PolarHBondContact O-N 2.92Å; P184-K188 VanDerWaalsContact O-N 3.14Å |
| 185 | E | 93.4 | Very high | 94.1 | Very high | 38 Ų | 38 | 27.4 Ų | 27.4 | 18% | 0.178 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63 | -34 | 175.1 | -60 | 72.4 | -155.3 | 0 | 0 | 111.3 | K183 A189 R315 L319 | K183-E185 WeakPolarHBondContact CB-OE2 3.14Å; K183-E185 PolarHBondContact O-N 2.89Å; E185-A189 VanDerWaalsContact O-CB 3.29Å; E185-A189 WeakPolarHBondContact O-CB 3.45Å; E185-A189 PolarHBondContact O-N 3Å; E185-R315 HydrophobicContact CB-CB 4.44Å; E185-R315 HydrophobicContact CG-CB 3.86Å; E185-R315 IonicContact OE1-CZ 2.82Å; E185-R315 IonicContact OE1-NH1 3.51Å; E185-R315 PolarHBondContact OE1-NH1 3.23Å; E185-R315 IonicContact OE1-NH2 3.31Å; E185-L319 HydrophobicContact CB-CD1 3.82Å |
| 186 | K | 93.1 | Very high | 94 | Very high | 63 Ų | 63 | 27.3 Ų | 27.3 | 27% | 0.274 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -69 | -41.7 | 176.2 | -70 | -178.7 | 177.5 | -174.7 | 0 | 111.4 | V181 K183 P184 K188 A189 M190 L319 | V181-K186 HydrophobicContact CG1-CB 3.49Å; V181-K186 VanDerWaalsContact CG1-CB 3.49Å; V181-K186 HydrophobicContact CG1-CD 3.93Å; V181-K186 HydrophobicContact CG1-CG 4.36Å; K183-K186 HydrophobicContact CB-CB 4.49Å; K183-K186 HydrophobicContact CB-CD 4.27Å; K183-K186 HydrophobicContact CB-CG 4.11Å; K183-K186 WeakPolarHBondContact O-CB 3.45Å; K183-K186 PolarHBondContact O-N 3.39Å; K183-K186 VanDerWaalsContact O-N 3.16Å; P184-K186 PolarHBondContact O-N 3.2Å; K186-K188 VanDerWaalsContact C-N 3.33Å; K186-K188 PolarHBondContact O-N 3.36Å; K186-A189 PolarHBondContact O-N 3.46Å; K186-M190 WeakPolarHBondContact O-CB 3.25Å; K186-M190 WeakPolarHBondContact O-CG 3.23Å; K186-M190 PolarHBondContact O-N 3.48Å; K186-L319 HydrophobicContact CG-CD1 4.01Å |
| 187 | A | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A151 F159 V181 K183 P184 M190 A191 | A151-A187 HydrophobicContact CB-CB 4.3Å; F159-A187 HydrophobicContact CB-CB 4.12Å; V181-A187 HydrophobicContact CG2-CB 4.29Å; K183-A187 PolarHBondContact O-N 2.55Å; P184-A187 PolarHBondContact O-N 3.41Å; A187-M190 PolarHBondContact O-N 3.19Å; A187-A191 PolarHBondContact O-N 3.08Å |
| 188 | K | 94.3 | Very high | 93.7 | Very high | 65 Ų | 65 | 29.1 Ų | 29.1 | 28% | 0.283 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 173.6 | -74.2 | -176.1 | -179.2 | -174.7 | 0 | 112.9 | A151 P184 K186 M190 A191 L192 L310 V316 | A151-K188 HydrophobicContact CB-CG 4.06Å; P184-K188 PolarHBondContact O-N 2.92Å; P184-K188 VanDerWaalsContact O-N 3.14Å; K186-K188 VanDerWaalsContact C-N 3.33Å; K186-K188 PolarHBondContact O-N 3.36Å; K188-M190 VanDerWaalsContact C-N 3.34Å; K188-M190 PolarHBondContact O-N 3.45Å; K188-A191 PolarHBondContact O-N 3.09Å; K188-L192 WeakPolarHBondContact O-CB 3.5Å; K188-L192 PolarHBondContact O-N 2.74Å; K188-L310 HydrophobicContact CB-CD2 3.7Å; K188-L310 HydrophobicContact CD-CD2 3.88Å; K188-L310 HydrophobicContact CG-CD2 3.8Å; K188-V316 HydrophobicContact CB-CG2 3.73Å; K188-V316 HydrophobicContact CD-CG2 4.44Å |
| 189 | A | 93.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E185 K186 L192 L193 V316 L319 L320 | E185-A189 VanDerWaalsContact O-CB 3.29Å; E185-A189 WeakPolarHBondContact O-CB 3.45Å; E185-A189 PolarHBondContact O-N 3Å; K186-A189 PolarHBondContact O-N 3.46Å; A189-L192 PolarHBondContact O-N 2.95Å; A189-L193 WeakPolarHBondContact O-CB 3.36Å; A189-L193 PolarHBondContact O-N 3.23Å; A189-V316 HydrophobicContact CB-CG1 3.9Å; A189-L319 HydrophobicContact CB-CB 4.35Å; A189-L319 HydrophobicContact CB-CD1 4.38Å; A189-L320 HydrophobicContact CB-CD2 4.08Å; A189-L320 HydrophobicContact CB-CG 4.3Å |
| 190 | M | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 177.1 | -70.8 | 171.9 | 67.4 | 0 | 0 | 112.1 | Y77 V79 L118 F159 V181 K186 A187 K188 L193 L194 | Y77-M190 HydrophobicContact CD1-CG 4.24Å; Y77-M190 HydrophobicContact CD1-SD 4.15Å; Y77-M190 HydrophobicContact CD2-CE 4.08Å; Y77-M190 HydrophobicContact CD2-CG 3.72Å; Y77-M190 HydrophobicContact CD2-SD 3.9Å; Y77-M190 HydrophobicContact CE1-CG 4.2Å; Y77-M190 HydrophobicContact CE2-CG 3.66Å; Y77-M190 HydrophobicContact CE2-SD 4.44Å; Y77-M190 HydrophobicContact CG-CE 4.3Å; Y77-M190 HydrophobicContact CG-CG 4.01Å; Y77-M190 HydrophobicContact CG-SD 3.73Å; V79-M190 HydrophobicContact CG1-CE 4.2Å; V79-M190 HydrophobicContact CG1-SD 4.4Å; L118-M190 HydrophobicContact CB-CE 4.33Å; L118-M190 HydrophobicContact CD1-CE 3.54Å; L118-M190 HydrophobicContact CD2-CE 3.4Å; L118-M190 VanDerWaalsContact CD2-CE 3.4Å; L118-M190 HydrophobicContact CG-CE 3.92Å; F159-M190 HydrophobicContact CD1-CB 4.41Å; F159-M190 HydrophobicContact CD1-CE 3.88Å; F159-M190 HydrophobicContact CD2-CB 4.42Å; F159-M190 HydrophobicContact CE1-CB 4.48Å; F159-M190 HydrophobicContact CE1-CE 4.26Å; F159-M190 HydrophobicContact CG-CB 4.37Å; V181-M190 HydrophobicContact CG2-SD 4.11Å; K186-M190 WeakPolarHBondContact O-CB 3.25Å; K186-M190 WeakPolarHBondContact O-CG 3.23Å; K186-M190 PolarHBondContact O-N 3.48Å; A187-M190 PolarHBondContact O-N 3.19Å; K188-M190 VanDerWaalsContact C-N 3.34Å; K188-M190 PolarHBondContact O-N 3.45Å; M190-L193 PolarHBondContact O-N 2.95Å; M190-L194 WeakPolarHBondContact O-CB 3.41Å; M190-L194 PolarHBondContact O-N 3.42Å |
| 191 | A | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -49 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A151 F159 A187 K188 L193 L194 Y195 I303 | A151-A191 HydrophobicContact CB-CB 4.31Å; F159-A191 HydrophobicContact CD2-CB 3.98Å; F159-A191 VanDerWaalsContact CE2-CA 3.47Å; F159-A191 HydrophobicContact CE2-CB 3.65Å; A187-A191 PolarHBondContact O-N 3.08Å; K188-A191 PolarHBondContact O-N 3.09Å; A191-L193 PolarHBondContact O-N 2.71Å; A191-L194 PolarHBondContact O-N 3.45Å; A191-Y195 WeakPolarHBondContact O-CB 3.42Å; A191-Y195 PolarHBondContact O-N 3.17Å; A191-I303 HydrophobicContact CB-CD1 4.42Å |
| 192 | L | 93.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 178.6 | -177.6 | 61.3 | 0 | 0 | 0 | 111.7 | K188 A189 Y195 Q196 V307 L310 K311 V316 L320 | K188-L192 WeakPolarHBondContact O-CB 3.5Å; K188-L192 PolarHBondContact O-N 2.74Å; A189-L192 PolarHBondContact O-N 2.95Å; L192-Y195 PolarHBondContact O-N 3.37Å; L192-Q196 HydrophobicContact CD1-CG 4.3Å; L192-Q196 HydrophobicContact CG-CG 4.42Å; L192-Q196 WeakPolarHBondContact O-CB 3.39Å; L192-Q196 VanDerWaalsContact O-CG 3.28Å; L192-Q196 WeakPolarHBondContact O-CG 3.2Å; L192-Q196 PolarHBondContact O-N 3.34Å; L192-V307 HydrophobicContact CD1-CG1 4.22Å; L192-L310 HydrophobicContact CB-CB 4.4Å; L192-L310 HydrophobicContact CB-CD1 4.23Å; L192-L310 HydrophobicContact CD1-CB 4.14Å; L192-L310 HydrophobicContact CD2-CB 4.15Å; L192-L310 HydrophobicContact CG-CB 4.46Å; L192-K311 HydrophobicContact CD1-CG 4.03Å; L192-K311 HydrophobicContact CD2-CG 4.13Å; L192-V316 HydrophobicContact CD2-CG1 3.93Å; L192-L320 HydrophobicContact CD2-CD1 3.92Å; L192-L320 HydrophobicContact CG-CD1 4.4Å |
| 193 | L | 93.1 | Very high | 92.3 | Very high | 25 Ų | 25 | 35.8 Ų | 35.8 | 13% | 0.131 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -47 | -179.9 | 176.4 | 67.4 | 0 | 0 | 0 | 111.7 | P75 Y77 V120 A189 M190 A191 Y195 Q196 T197 L320 | P75-L193 HydrophobicContact CB-CD2 4.28Å; P75-L193 HydrophobicContact CG-CD2 3.22Å; P75-L193 HydrophobicContact CG-CG 4.47Å; Y77-L193 HydrophobicContact CE2-CD2 4.41Å; V120-L193 HydrophobicContact CB-CD2 3.74Å; V120-L193 HydrophobicContact CB-CG 4.36Å; V120-L193 HydrophobicContact CG1-CD2 3.94Å; V120-L193 HydrophobicContact CG1-CG 4Å; V120-L193 HydrophobicContact CG2-CD2 4.13Å; A189-L193 WeakPolarHBondContact O-CB 3.36Å; A189-L193 PolarHBondContact O-N 3.23Å; M190-L193 PolarHBondContact O-N 2.95Å; A191-L193 PolarHBondContact O-N 2.71Å; L193-Y195 VanDerWaalsContact C-N 3.29Å; L193-Y195 PolarHBondContact O-N 3.06Å; L193-Q196 PolarHBondContact O-N 3.48Å; L193-T197 VanDerWaalsContact O-CB 3.27Å; L193-T197 WeakPolarHBondContact O-CB 3.44Å; L193-T197 PolarHBondContact O-N 3.45Å; L193-T197 PolarHBondContact O-OG1 3.09Å; L193-L320 HydrophobicContact CB-CD2 3.89Å; L193-L320 HydrophobicContact CD1-CD2 4.3Å; L193-L320 HydrophobicContact CD2-CD2 4.4Å; L193-L320 HydrophobicContact CG-CD2 4.42Å |
| 194 | L | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 177.6 | -176.2 | 65.3 | 0 | 0 | 0 | 110.5 | V120 I125 L143 I146 C149 F159 M190 A191 T197 S198 M301 | V120-L194 HydrophobicContact CG1-CB 4.39Å; V120-L194 HydrophobicContact CG1-CD1 4.01Å; I125-L194 HydrophobicContact CD1-CD1 4.26Å; I125-L194 HydrophobicContact CD1-CD2 3.78Å; I125-L194 HydrophobicContact CG1-CD1 3.85Å; I125-L194 HydrophobicContact CG1-CD2 4.3Å; L143-L194 HydrophobicContact CD1-CD1 3.71Å; I146-L194 HydrophobicContact CD1-CD1 4.42Å; I146-L194 HydrophobicContact CG2-CD2 4.49Å; C149-L194 HydrophobicContact CB-CD2 3.84Å; F159-L194 HydrophobicContact CZ-CD2 3.95Å; M190-L194 WeakPolarHBondContact O-CB 3.41Å; M190-L194 PolarHBondContact O-N 3.42Å; A191-L194 PolarHBondContact O-N 3.45Å; L194-T197 PolarHBondContact O-N 2.85Å; L194-S198 WeakPolarHBondContact O-CB 3.16Å; L194-S198 PolarHBondContact O-N 3.15Å; L194-S198 PolarHBondContact O-OG 3.06Å; L194-M301 HydrophobicContact CB-CE 4.39Å; L194-M301 HydrophobicContact CD2-CE 4.29Å; L194-M301 HydrophobicContact CD2-SD 4.25Å; L194-M301 HydrophobicContact CG-CE 3.75Å; L194-M301 HydrophobicContact CG-SD 4.18Å; L194-M301 WeakPolarHBondContact O-CE 3.38Å |
| 195 | Y | 93 | Very high | 91.7 | Very high | 46 Ų | 46 | 38.9 Ų | 38.9 | 18% | 0.18 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.7 | -50.9 | 175.1 | 179 | -104.2 | 0 | 0 | 0 | 112.6 | A191 L192 L193 T197 S198 A199 M301 I303 V307 | A191-Y195 WeakPolarHBondContact O-CB 3.42Å; A191-Y195 PolarHBondContact O-N 3.17Å; L192-Y195 PolarHBondContact O-N 3.37Å; L193-Y195 VanDerWaalsContact C-N 3.29Å; L193-Y195 PolarHBondContact O-N 3.06Å; Y195-T197 VanDerWaalsContact C-N 3.29Å; Y195-T197 PolarHBondContact O-N 3.42Å; Y195-S198 PolarHBondContact O-N 3.04Å; Y195-S198 PolarHBondContact O-OG 3.08Å; Y195-A199 PolarHBondContact O-N 3.01Å; Y195-M301 HydrophobicContact CD2-CE 4.45Å; Y195-M301 WeakPolarHBondContact CE2-O 3.34Å; Y195-I303 HydrophobicContact CD1-CG2 4.37Å; Y195-I303 HydrophobicContact CD2-CB 3.84Å; Y195-I303 HydrophobicContact CD2-CG2 3.72Å; Y195-I303 HydrophobicContact CE1-CG2 4.43Å; Y195-I303 HydrophobicContact CE2-CB 4.36Å; Y195-I303 HydrophobicContact CE2-CG2 3.8Å; Y195-I303 HydrophobicContact CG-CB 4.15Å; Y195-I303 HydrophobicContact CG-CD1 4.13Å; Y195-I303 HydrophobicContact CG-CG2 4.03Å; Y195-V307 HydrophobicContact CD1-CG1 4.32Å; Y195-V307 HydrophobicContact CD1-CG2 4.07Å; Y195-V307 HydrophobicContact CE1-CG1 3.98Å; Y195-V307 HydrophobicContact CE1-CG2 3.69Å |
| 196 | Q | 91.8 | Very high | 91.3 | Very high | 69 Ų | 69 | 40.2 Ų | 40.2 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.3 | -40.1 | 176.2 | -73.1 | 176.3 | -2.6 | 0 | 0 | 112.5 | L192 L193 A199 T200 | L192-Q196 HydrophobicContact CD1-CG 4.3Å; L192-Q196 HydrophobicContact CG-CG 4.42Å; L192-Q196 WeakPolarHBondContact O-CB 3.39Å; L192-Q196 VanDerWaalsContact O-CG 3.28Å; L192-Q196 WeakPolarHBondContact O-CG 3.2Å; L192-Q196 PolarHBondContact O-N 3.34Å; L193-Q196 PolarHBondContact O-N 3.48Å; Q196-A199 PolarHBondContact O-N 3.48Å; Q196-T200 WeakPolarHBondContact O-CB 3.45Å; Q196-T200 PolarHBondContact O-N 2.86Å; Q196-T200 PolarHBondContact O-OG1 3.37Å |
| 197 | T | 92.1 | Very high | 90.9 | Very high | 28 Ų | 28 | 42.5 Ų | 42.5 | 17% | 0.172 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.9 | -42.5 | 179.2 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | L143 L193 L194 Y195 T200 A201 | L143-T197 HydrophobicContact CD2-CG2 4.25Å; L193-T197 VanDerWaalsContact O-CB 3.27Å; L193-T197 WeakPolarHBondContact O-CB 3.44Å; L193-T197 PolarHBondContact O-N 3.45Å; L193-T197 PolarHBondContact O-OG1 3.09Å; L194-T197 PolarHBondContact O-N 2.85Å; Y195-T197 VanDerWaalsContact C-N 3.29Å; Y195-T197 PolarHBondContact O-N 3.42Å; T197-T200 PolarHBondContact O-N 2.77Å; T197-A201 VanDerWaalsContact O-CB 3.25Å; T197-A201 WeakPolarHBondContact O-CB 3.28Å; T197-A201 PolarHBondContact O-N 2.94Å |
| 198 | S | 91.3 | Very high | 90.5 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 175 | 74.4 | 0 | 0 | 0 | 0 | 112.9 | L194 Y195 T200 A201 L202 M301 | L194-S198 WeakPolarHBondContact O-CB 3.16Å; L194-S198 PolarHBondContact O-N 3.15Å; L194-S198 PolarHBondContact O-OG 3.06Å; Y195-S198 PolarHBondContact O-N 3.04Å; Y195-S198 PolarHBondContact O-OG 3.08Å; S198-T200 VanDerWaalsContact C-N 3.33Å; S198-T200 PolarHBondContact O-N 3.47Å; S198-A201 PolarHBondContact O-N 3Å; S198-L202 VanDerWaalsContact O-CB 3.26Å; S198-L202 WeakPolarHBondContact O-CB 3.4Å; S198-L202 PolarHBondContact O-N 3.25Å; S198-M301 WeakPolarHBondContact OG-CE 3.48Å |
| 199 | A | 89.9 | Confident | 90 | Very high | 43 Ų | 43 | 49 Ų | 49 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | Y195 Q196 A203 | Y195-A199 PolarHBondContact O-N 3.01Å; Q196-A199 PolarHBondContact O-N 3.48Å; A199-A203 WeakPolarHBondContact O-CB 3.4Å; A199-A203 PolarHBondContact O-N 3.02Å |
| 200 | T | 90.1 | Very high | 89.5 | Confident | 88 Ų | 88 | 56.2 Ų | 56.2 | 54% | 0.54 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.4 | -46.5 | 177.1 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | Q196 T197 S198 L202 A203 E204 | Q196-T200 WeakPolarHBondContact O-CB 3.45Å; Q196-T200 PolarHBondContact O-N 2.86Å; Q196-T200 PolarHBondContact O-OG1 3.37Å; T197-T200 PolarHBondContact O-N 2.77Å; S198-T200 VanDerWaalsContact C-N 3.33Å; S198-T200 PolarHBondContact O-N 3.47Å; T200-L202 VanDerWaalsContact C-N 3.33Å; T200-L202 PolarHBondContact O-N 3.5Å; T200-A203 PolarHBondContact O-N 3.46Å; T200-E204 PolarHBondContact O-N 3.06Å |
| 201 | A | 89.4 | Confident | 88.7 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L143 T197 S198 E204 F205 | L143-A201 HydrophobicContact CD2-CB 3.72Å; T197-A201 VanDerWaalsContact O-CB 3.25Å; T197-A201 WeakPolarHBondContact O-CB 3.28Å; T197-A201 PolarHBondContact O-N 2.94Å; S198-A201 PolarHBondContact O-N 3Å; A201-E204 PolarHBondContact O-N 3.3Å; A201-F205 WeakPolarHBondContact O-CB 3.49Å; A201-F205 PolarHBondContact O-N 2.95Å |
| 202 | L | 87.4 | Confident | 87.9 | Confident | 35 Ų | 35 | 66.3 Ų | 66.3 | 18% | 0.183 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 175.9 | -175.8 | 64.5 | 0 | 0 | 0 | 111.6 | S198 T200 F205 K206 E300 | S198-L202 VanDerWaalsContact O-CB 3.26Å; S198-L202 WeakPolarHBondContact O-CB 3.4Å; S198-L202 PolarHBondContact O-N 3.25Å; T200-L202 VanDerWaalsContact C-N 3.33Å; T200-L202 PolarHBondContact O-N 3.5Å; L202-F205 PolarHBondContact O-N 3.34Å; L202-K206 HydrophobicContact CG-CD 4.45Å; L202-K206 WeakPolarHBondContact O-CB 3.45Å; L202-K206 WeakPolarHBondContact O-CG 3.3Å; L202-K206 PolarHBondContact O-N 3.34Å; L202-E300 HydrophobicContact CD2-CB 4.31Å |
| 203 | A | 88.1 | Confident | 87.4 | Confident | 53 Ų | 53 | 69.4 Ų | 69.4 | 44% | 0.438 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A199 T200 K206 R207 | A199-A203 WeakPolarHBondContact O-CB 3.4Å; A199-A203 PolarHBondContact O-N 3.02Å; T200-A203 PolarHBondContact O-N 3.46Å; A203-K206 PolarHBondContact O-N 3.4Å; A203-R207 VanDerWaalsContact O-CB 3.32Å; A203-R207 WeakPolarHBondContact O-CB 3.45Å; A203-R207 PolarHBondContact O-N 2.9Å |
| 204 | E | 88.3 | Confident | 86.6 | Confident | 93 Ų | 93 | 70.7 Ų | 70.7 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 174.4 | -78.3 | -60.4 | 133.9 | 0 | 0 | 112 | T200 A201 R207 L208 | T200-E204 PolarHBondContact O-N 3.06Å; A201-E204 PolarHBondContact O-N 3.3Å; E204-R207 WeakPolarHBondContact O-CB 3.48Å; E204-R207 PolarHBondContact O-N 3.36Å; E204-R207 IonicContact OE1-NE 3.66Å; E204-R207 PolarHBondContact OE1-NE 3.49Å; E204-R207 IonicContact OE2-CZ 3.19Å; E204-R207 VanDerWaalsContact OE2-CZ 3.26Å; E204-R207 IonicContact OE2-NE 3.63Å; E204-R207 PolarHBondContact OE2-NE 3.45Å; E204-R207 IonicContact OE2-NH2 3.53Å; E204-R207 PolarHBondContact OE2-NH2 2.93Å; E204-L208 WeakPolarHBondContact O-CB 3.27Å; E204-L208 PolarHBondContact O-N 3.46Å |
| 205 | F | 86.7 | Confident | 85.7 | Confident | 124 Ų | 124 | 76.7 Ų | 76.7 | 54% | 0.544 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.2 | -49 | 174.7 | 176.7 | -102 | 0 | 0 | 0 | 111.6 | A201 L202 R207 L208 K209 | A201-F205 WeakPolarHBondContact O-CB 3.49Å; A201-F205 PolarHBondContact O-N 2.95Å; L202-F205 PolarHBondContact O-N 3.34Å; F205-R207 VanDerWaalsContact C-N 3.28Å; F205-R207 PolarHBondContact O-N 3.02Å; F205-L208 PolarHBondContact O-N 3.46Å; F205-K209 HydrophobicContact CE1-CD 4.42Å; F205-K209 HydrophobicContact CZ-CD 4.49Å; F205-K209 WeakPolarHBondContact O-CB 3.49Å; F205-K209 PolarHBondContact O-N 2.84Å |
| 206 | K | 85.9 | Confident | 84.8 | Confident | 67 Ų | 67 | 78.8 Ų | 78.8 | 29% | 0.291 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 176 | -71.5 | -178.8 | -174.8 | -171.9 | 0 | 111.7 | L202 A203 R210 N296 | L202-K206 HydrophobicContact CG-CD 4.45Å; L202-K206 WeakPolarHBondContact O-CB 3.45Å; L202-K206 WeakPolarHBondContact O-CG 3.3Å; L202-K206 PolarHBondContact O-N 3.34Å; A203-K206 PolarHBondContact O-N 3.4Å; K206-R210 WeakPolarHBondContact O-CB 3.39Å; K206-R210 WeakPolarHBondContact O-CG 3.5Å; K206-R210 PolarHBondContact O-N 2.93Å; K206-R210 PolarHBondContact O-NE 2.98Å; K206-N296 WeakPolarHBondContact CE-OD1 3.41Å; K206-N296 PolarHBondContact NZ-OD1 2.85Å |
| 207 | R | 85.4 | Confident | 84 | Confident | 111 Ų | 111 | 81.2 Ų | 81.2 | 42% | 0.419 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 176.5 | -173.3 | -174.7 | 71.5 | 78.3 | 2.5 | 111.6 | A203 E204 F205 R211 | A203-R207 VanDerWaalsContact O-CB 3.32Å; A203-R207 WeakPolarHBondContact O-CB 3.45Å; A203-R207 PolarHBondContact O-N 2.9Å; E204-R207 WeakPolarHBondContact O-CB 3.48Å; E204-R207 PolarHBondContact O-N 3.36Å; E204-R207 IonicContact OE1-NE 3.66Å; E204-R207 PolarHBondContact OE1-NE 3.49Å; E204-R207 IonicContact OE2-CZ 3.19Å; E204-R207 VanDerWaalsContact OE2-CZ 3.26Å; E204-R207 IonicContact OE2-NE 3.63Å; E204-R207 PolarHBondContact OE2-NE 3.45Å; E204-R207 IonicContact OE2-NH2 3.53Å; E204-R207 PolarHBondContact OE2-NH2 2.93Å; F205-R207 VanDerWaalsContact C-N 3.28Å; F205-R207 PolarHBondContact O-N 3.02Å; R207-R211 PolarHBondContact O-N 3.44Å |
| 208 | L | 85.9 | Confident | 82.9 | Confident | 101 Ų | 101 | 85 Ų | 85 | 53% | 0.529 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.3 | -44.8 | 178.9 | -171.2 | 62.9 | 0 | 0 | 0 | 111 | E204 F205 R211 D212 | E204-L208 WeakPolarHBondContact O-CB 3.27Å; E204-L208 PolarHBondContact O-N 3.46Å; F205-L208 PolarHBondContact O-N 3.46Å; L208-R211 WeakPolarHBondContact O-CB 3.37Å; L208-R211 PolarHBondContact O-N 2.7Å; L208-R211 VanDerWaalsContact O-N 3.15Å; L208-D212 PolarHBondContact O-N 2.83Å |
| 209 | K | 84 | Confident | 81.7 | Confident | 101 Ų | 101 | 86.9 Ų | 86.9 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.2 | -48.6 | 176.4 | -167.6 | 174.9 | -178.5 | -179.2 | 0 | 111.7 | F205 R211 D212 D213 | F205-K209 HydrophobicContact CE1-CD 4.42Å; F205-K209 HydrophobicContact CZ-CD 4.49Å; F205-K209 WeakPolarHBondContact O-CB 3.49Å; F205-K209 PolarHBondContact O-N 2.84Å; K209-R211 VanDerWaalsContact C-N 3.25Å; K209-R211 PolarHBondContact O-N 2.86Å; K209-D212 WeakPolarHBondContact O-CA 3.24Å; K209-D212 WeakPolarHBondContact O-CB 3.46Å; K209-D212 PolarHBondContact O-N 3.44Å; K209-D213 PolarHBondContact O-N 2.73Å |
| 210 | R | 81.1 | Confident | 80.7 | Confident | 151 Ų | 151 | 92.7 Ų | 92.7 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -56.3 | -36.6 | 174.5 | -80.7 | -176.4 | -91.4 | 109.5 | -5.3 | 113.8 | K206 A214 | K206-R210 WeakPolarHBondContact O-CB 3.39Å; K206-R210 WeakPolarHBondContact O-CG 3.5Å; K206-R210 PolarHBondContact O-N 2.93Å; K206-R210 PolarHBondContact O-NE 2.98Å; R210-A214 VanDerWaalsContact O-CB 3.31Å; R210-A214 WeakPolarHBondContact O-CB 3.2Å; R210-A214 PolarHBondContact O-N 2.88Å; R210-A214 VanDerWaalsContact O-N 3.08Å |
| 211 | R | 79.1 | Confident | 79.7 | Confident | 155 Ų | 155 | 95.8 Ų | 95.8 | 59% | 0.585 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -71.7 | -35.3 | 177 | -177.1 | 177.3 | -178.3 | 151.8 | 2.5 | 111.6 | R207 L208 K209 R215 | R207-R211 PolarHBondContact O-N 3.44Å; L208-R211 WeakPolarHBondContact O-CB 3.37Å; L208-R211 PolarHBondContact O-N 2.7Å; L208-R211 VanDerWaalsContact O-N 3.15Å; K209-R211 VanDerWaalsContact C-N 3.25Å; K209-R211 PolarHBondContact O-N 2.86Å; R211-R215 WeakPolarHBondContact O-CG 3.33Å; R211-R215 PolarHBondContact O-N 3.09Å |
| 212 | D | 76.9 | Confident | 78.6 | Confident | 57 Ų | 57 | 97.8 Ų | 97.8 | 31% | 0.305 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.6 | -47.6 | 177.5 | -156.1 | 54.9 | 0 | 0 | 0 | 111.4 | L208 K209 A214 R215 H216 | L208-D212 PolarHBondContact O-N 2.83Å; K209-D212 WeakPolarHBondContact O-CA 3.24Å; K209-D212 WeakPolarHBondContact O-CB 3.46Å; K209-D212 PolarHBondContact O-N 3.44Å; D212-A214 VanDerWaalsContact C-N 3.3Å; D212-A214 PolarHBondContact O-N 2.87Å; D212-R215 WeakPolarHBondContact O-CA 3.48Å; D212-R215 WeakPolarHBondContact O-CB 3.31Å; D212-R215 PolarHBondContact O-N 3.08Å; D212-R215 IonicContact OD1-CZ 2.95Å; D212-R215 IonicContact OD1-NE 3.62Å; D212-R215 IonicContact OD1-NH2 2.96Å; D212-R215 PolarHBondContact OD1-NH2 2.87Å; D212-H216 PolarHBondContact O-N 3.32Å; D212-H216 PolarHBondContact O-ND1 3.35Å; D212-H216 IonicContact OD2-CE1 3.5Å; D212-H216 PolarHBondContact OD2-CE1 3.3Å; D212-H216 IonicContact OD2-ND1 2.68Å |
| 213 | D | 82.6 | Confident | 77.2 | Confident | 66 Ų | 66 | 97.7 Ų | 97.7 | 35% | 0.353 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.2 | -43.4 | 174.7 | -59.9 | -20.9 | 0 | 0 | 0 | 111 | K209 R215 H216 Q217 | K209-D213 PolarHBondContact O-N 2.73Å; D213-R215 VanDerWaalsContact C-N 3.3Å; D213-R215 PolarHBondContact O-N 3.34Å; D213-H216 PolarHBondContact O-N 3.37Å; D213-Q217 WeakPolarHBondContact O-CB 3.15Å; D213-Q217 VanDerWaalsContact O-CG 3.28Å; D213-Q217 WeakPolarHBondContact O-CG 3.31Å; D213-Q217 PolarHBondContact O-N 3.14Å |
| 214 | A | 76.4 | Confident | 75.8 | Confident | 52 Ų | 52 | 102.3 Ų | 102.3 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -33.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | R210 D212 Q218 | R210-A214 VanDerWaalsContact O-CB 3.31Å; R210-A214 WeakPolarHBondContact O-CB 3.2Å; R210-A214 PolarHBondContact O-N 2.88Å; R210-A214 VanDerWaalsContact O-N 3.08Å; D212-A214 VanDerWaalsContact C-N 3.3Å; D212-A214 PolarHBondContact O-N 2.87Å; A214-Q218 WeakPolarHBondContact O-CB 3.31Å; A214-Q218 PolarHBondContact O-N 3.34Å |
| 215 | R | 75.4 | Confident | 74.2 | Confident | 126 Ų | 126 | 107 Ų | 107 | 48% | 0.475 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.3 | -45.6 | 174.4 | -76.1 | -175.7 | -63.8 | -172.6 | 3.6 | 111.2 | R211 D212 D213 Q218 Q219 | R211-R215 WeakPolarHBondContact O-CG 3.33Å; R211-R215 PolarHBondContact O-N 3.09Å; D212-R215 WeakPolarHBondContact O-CA 3.48Å; D212-R215 WeakPolarHBondContact O-CB 3.31Å; D212-R215 PolarHBondContact O-N 3.08Å; D212-R215 IonicContact OD1-CZ 2.95Å; D212-R215 IonicContact OD1-NE 3.62Å; D212-R215 IonicContact OD1-NH2 2.96Å; D212-R215 PolarHBondContact OD1-NH2 2.87Å; D213-R215 VanDerWaalsContact C-N 3.3Å; D213-R215 PolarHBondContact O-N 3.34Å; R215-Q218 PolarHBondContact O-N 3.1Å; R215-Q219 WeakPolarHBondContact O-CG 3.46Å; R215-Q219 PolarHBondContact O-N 3.48Å |
| 216 | H | 73.3 | Confident | 72.7 | Confident | 90 Ų | 90 | 105 Ų | 105 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 176.4 | -73.4 | 122.9 | 0 | 0 | 0 | 111.7 | D212 D213 Q218 Q219 Q220 | D212-H216 PolarHBondContact O-N 3.32Å; D212-H216 PolarHBondContact O-ND1 3.35Å; D212-H216 IonicContact OD2-CE1 3.5Å; D212-H216 PolarHBondContact OD2-CE1 3.3Å; D212-H216 IonicContact OD2-ND1 2.68Å; D213-H216 PolarHBondContact O-N 3.37Å; H216-Q218 VanDerWaalsContact C-N 3.34Å; H216-Q218 PolarHBondContact O-N 2.96Å; H216-Q219 PolarHBondContact CD2-OE1 2.94Å; H216-Q219 WeakPolarHBondContact O-CB 3.33Å; H216-Q219 PolarHBondContact O-N 2.85Å; H216-Q220 WeakPolarHBondContact O-CG 3.5Å; H216-Q220 PolarHBondContact O-N 3.46Å |
| 217 | Q | 74.2 | Confident | 71.2 | Confident | 120 Ų | 120 | 104.2 Ų | 104.2 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -41.3 | 174.6 | -73.8 | 174.9 | -0.5 | 0 | 0 | 112.1 | D213 Q219 Q220 L221 | D213-Q217 WeakPolarHBondContact O-CB 3.15Å; D213-Q217 VanDerWaalsContact O-CG 3.28Å; D213-Q217 WeakPolarHBondContact O-CG 3.31Å; D213-Q217 PolarHBondContact O-N 3.14Å; Q217-Q219 VanDerWaalsContact C-N 3.33Å; Q217-Q220 PolarHBondContact O-N 3.03Å; Q217-L221 WeakPolarHBondContact O-CB 3.46Å; Q217-L221 VanDerWaalsContact O-CG 3.31Å; Q217-L221 WeakPolarHBondContact O-CG 3.29Å; Q217-L221 PolarHBondContact O-N 3.25Å |
| 218 | Q | 70.3 | Confident | 69.7 | Low | 108 Ų | 108 | 101.8 Ų | 101.8 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 175.7 | -166.6 | -175.6 | -30.5 | 0 | 0 | 111.8 | A214 R215 H216 L221 V222 I227 | A214-Q218 WeakPolarHBondContact O-CB 3.31Å; A214-Q218 PolarHBondContact O-N 3.34Å; R215-Q218 PolarHBondContact O-N 3.1Å; H216-Q218 VanDerWaalsContact C-N 3.34Å; H216-Q218 PolarHBondContact O-N 2.96Å; Q218-L221 PolarHBondContact O-N 3.04Å; Q218-V222 HydrophobicContact CG-CG2 4.2Å; Q218-V222 VanDerWaalsContact O-CG2 3.25Å; Q218-V222 WeakPolarHBondContact O-CG2 3.28Å; Q218-V222 PolarHBondContact O-N 2.95Å; Q218-V222 VanDerWaalsContact O-N 3.11Å; Q218-I227 HydrophobicContact CB-CD1 4.46Å; Q218-I227 HydrophobicContact CG-CD1 3.74Å |
| 219 | Q | 66.1 | Low | 68.2 | Low | 50 Ų | 50 | 104.3 Ų | 104.3 | 23% | 0.234 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 173.7 | -74 | 169 | -30.4 | 0 | 0 | 111.5 | R215 H216 Q217 L221 G223 | R215-Q219 WeakPolarHBondContact O-CG 3.46Å; R215-Q219 PolarHBondContact O-N 3.48Å; H216-Q219 PolarHBondContact CD2-OE1 2.94Å; H216-Q219 WeakPolarHBondContact O-CB 3.33Å; H216-Q219 PolarHBondContact O-N 2.85Å; Q217-Q219 VanDerWaalsContact C-N 3.33Å; Q219-L221 PolarHBondContact O-N 2.85Å; Q219-G223 WeakPolarHBondContact O-CA 3.49Å; Q219-G223 PolarHBondContact O-N 2.94Å |
| 220 | Q | 67.9 | Low | 66.9 | Low | 166 Ų | 166 | 102 Ų | 102 | 78% | 0.776 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -38.9 | 177.6 | -71.1 | 179.5 | -3.2 | 0 | 0 | 112.9 | H216 Q217 | H216-Q220 WeakPolarHBondContact O-CG 3.5Å; H216-Q220 PolarHBondContact O-N 3.46Å; Q217-Q220 PolarHBondContact O-N 3.03Å |
| 221 | L | 69.6 | Low | 65.8 | Low | 152 Ų | 152 | 98.4 Ų | 98.4 | 80% | 0.796 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -75.2 | -32.4 | -178.3 | -72.2 | 171.8 | 0 | 0 | 0 | 114.1 | Q217 Q218 Q219 | Q217-L221 WeakPolarHBondContact O-CB 3.46Å; Q217-L221 VanDerWaalsContact O-CG 3.31Å; Q217-L221 WeakPolarHBondContact O-CG 3.29Å; Q217-L221 PolarHBondContact O-N 3.25Å; Q218-L221 PolarHBondContact O-N 3.04Å; Q219-L221 PolarHBondContact O-N 2.85Å |
| 222 | V | 65 | Low | 64.6 | Low | 76 Ų | 76 | 96.6 Ų | 96.6 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -100.3 | -5.7 | -175.6 | -160.6 | 0 | 0 | 0 | 0 | 111.6 | Q218 T226 I227 | Q218-V222 HydrophobicContact CG-CG2 4.2Å; Q218-V222 VanDerWaalsContact O-CG2 3.25Å; Q218-V222 WeakPolarHBondContact O-CG2 3.28Å; Q218-V222 PolarHBondContact O-N 2.95Å; Q218-V222 VanDerWaalsContact O-N 3.11Å; V222-T226 WeakPolarHBondContact CG1-OG1 3.38Å; V222-T226 PolarHBondContact O-OG1 2.78Å; V222-I227 HydrophobicContact CB-CD1 3.94Å; V222-I227 HydrophobicContact CB-CG1 4.31Å; V222-I227 HydrophobicContact CG1-CG1 4.45Å; V222-I227 HydrophobicContact CG2-CD1 4.07Å |
| 223 | G | 59.7 | Low | 63.7 | Low | 33 Ų | 33 | 101.9 Ų | 101.9 | 34% | 0.34 | 53% | 0.526 | S | S | . | . | trans | 71.9 | 150.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q219 Q225 T226 | Q219-G223 WeakPolarHBondContact O-CA 3.49Å; Q219-G223 PolarHBondContact O-N 2.94Å; G223-Q225 PolarHBondContact O-N 2.82Å; G223-T226 PolarHBondContact O-N 2.86Å; G223-T226 PolarHBondContact O-OG1 3.49Å | ||
| 224 | D | 57.7 | Low | 62.3 | Low | 150 Ų | 150 | 105.2 Ų | 105.2 | 80% | 0.802 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -15.2 | -176.7 | -87.7 | -24.8 | 0 | 0 | 0 | 115.1 | T226 | D224-T226 PolarHBondContact O-N 3.24Š|
| 225 | Q | 54.4 | Low | 61.3 | Low | 190 Ų | 190 | 107.3 Ų | 107.3 | 89% | 0.888 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7.8 | -173.3 | -64.2 | -109.5 | 32 | 0 | 0 | 114.5 | G223 | G223-Q225 PolarHBondContact O-N 2.82Š|
| 226 | T | 56.6 | Low | 60.5 | Low | 83 Ų | 83 | 108.1 Ų | 108.1 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.9 | -13.3 | -165.9 | 62.8 | 0 | 0 | 0 | 0 | 116.3 | V222 G223 D224 P228 | V222-T226 WeakPolarHBondContact CG1-OG1 3.38Å; V222-T226 PolarHBondContact O-OG1 2.78Å; G223-T226 PolarHBondContact O-N 2.86Å; G223-T226 PolarHBondContact O-OG1 3.49Å; D224-T226 PolarHBondContact O-N 3.24Å; T226-P228 WeakPolarHBondContact O-CD 3.33Å |
| 227 | I | 54.2 | Low | 59.7 | Low | 51 Ų | 51 | 108.7 Ų | 108.7 | 26% | 0.262 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -115.2 | 103.3 | 177.6 | -54.8 | 177.2 | 0 | 0 | 0 | 109.1 | Q218 V222 L229 | Q218-I227 HydrophobicContact CB-CD1 4.46Å; Q218-I227 HydrophobicContact CG-CD1 3.74Å; V222-I227 HydrophobicContact CB-CD1 3.94Å; V222-I227 HydrophobicContact CB-CG1 4.31Å; V222-I227 HydrophobicContact CG1-CG1 4.45Å; V222-I227 HydrophobicContact CG2-CD1 4.07Å; I227-L229 PolarHBondContact O-N 3.02Å |
| 228 | P | 53.7 | Low | 58.7 | Low | 59 Ų | 59 | 106.4 Ų | 106.4 | 38% | 0.383 | 57% | 0.569 | S | S | . | * | trans | -67.4 | 133.5 | 179.7 | -16.3 | 28.3 | 0 | 0 | 0 | 111.9 | T226 V230 L232 L235 | T226-P228 WeakPolarHBondContact O-CD 3.33Å; P228-V230 PolarHBondContact O-N 3.17Å; P228-L232 HydrophobicContact CG-CD2 4.3Å; P228-L235 HydrophobicContact CB-CD1 2.95Å; P228-L235 HydrophobicContact CB-CG 4.3Å; P228-L235 HydrophobicContact CG-CD1 3.68Å | ||
| 229 | L | 55 | Low | 58.2 | Low | 154 Ų | 154 | 108.8 Ų | 108.8 | 81% | 0.806 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -57.7 | -7.5 | -179.8 | -64.4 | 171.5 | 0 | 0 | 0 | 114.4 | I227 | I227-L229 PolarHBondContact O-N 3.02Š|
| 230 | V | 55.1 | Low | 57.3 | Low | 53 Ų | 53 | 110.3 Ų | 110.3 | 32% | 0.321 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -133.2 | 143.2 | -173 | -159.4 | 0 | 0 | 0 | 0 | 108.5 | P228 L232 K234 L235 | P228-V230 PolarHBondContact O-N 3.17Å; V230-L232 PolarHBondContact O-N 3.15Å; V230-K234 HydrophobicContact CB-CB 4.38Å; V230-K234 HydrophobicContact CG1-CB 3.56Å; V230-K234 HydrophobicContact CG1-CD 3.51Å; V230-K234 HydrophobicContact CG1-CG 3.71Å; V230-L235 HydrophobicContact CB-CD1 4.32Å; V230-L235 VanDerWaalsContact O-CD1 3.26Å; V230-L235 WeakPolarHBondContact O-CD1 3.42Å |
| 231 | P | 58.5 | Low | 56.4 | Low | 76 Ų | 76 | 112.3 Ų | 112.3 | 49% | 0.494 | 60% | 0.598 | S | S | . | * | trans | -47.9 | 130.6 | 176.6 | -30.6 | 35.4 | 0 | 0 | 0 | 111.4 | R233 K234 | P231-R233 HydrophobicContact CB-CG 3.95Å; P231-R233 PolarHBondContact O-N 2.98Å; P231-K234 PolarHBondContact O-N 2.95Å | ||
| 232 | L | 55 | Low | 55.5 | Low | 116 Ų | 116 | 113.3 Ų | 113.3 | 61% | 0.607 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -42.8 | -35.2 | -175.2 | -85.4 | 151.6 | 0 | 0 | 0 | 113.8 | P228 V230 K234 L235 L236 | P228-L232 HydrophobicContact CG-CD2 4.3Å; V230-L232 PolarHBondContact O-N 3.15Å; L232-K234 PolarHBondContact O-N 3.21Å; L232-K234 VanDerWaalsContact O-N 3.11Å; L232-L235 PolarHBondContact O-N 3.48Å; L232-L236 VanDerWaalsContact O-CB 3.31Å; L232-L236 WeakPolarHBondContact O-CB 3.14Å; L232-L236 PolarHBondContact O-N 3.36Å |
| 233 | R | 57.2 | Low | 55.1 | Low | 168 Ų | 168 | 118.8 Ų | 118.8 | 63% | 0.634 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -55.7 | -21.9 | 172.9 | 67.3 | -177.2 | -178.2 | 92.2 | -3.8 | 116.1 | P231 N237 | P231-R233 HydrophobicContact CB-CG 3.95Å; P231-R233 PolarHBondContact O-N 2.98Å; R233-N237 VanDerWaalsContact O-CB 3.31Å; R233-N237 WeakPolarHBondContact O-CB 3.41Å; R233-N237 PolarHBondContact O-OD1 3.03Å; R233-N237 VanDerWaalsContact O-OD1 3.09Å |
| 234 | K | 53.3 | Low | 54.5 | Low | 136 Ų | 136 | 121 Ų | 121 | 59% | 0.591 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -88.2 | -19.8 | 175.2 | -66.3 | -142.8 | -165.5 | 167.9 | 0 | 112.4 | V230 P231 L232 | V230-K234 HydrophobicContact CB-CB 4.38Å; V230-K234 HydrophobicContact CG1-CB 3.56Å; V230-K234 HydrophobicContact CG1-CD 3.51Å; V230-K234 HydrophobicContact CG1-CG 3.71Å; P231-K234 PolarHBondContact O-N 2.95Å; L232-K234 PolarHBondContact O-N 3.21Å; L232-K234 VanDerWaalsContact O-N 3.11Å |
| 235 | L | 55.6 | Low | 54.1 | Low | 96 Ų | 96 | 119.3 Ų | 119.3 | 50% | 0.503 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100 | -31.4 | -178.5 | -62.7 | 149.6 | 0 | 0 | 0 | 111.3 | P228 V230 L232 N237 | P228-L235 HydrophobicContact CB-CD1 2.95Å; P228-L235 HydrophobicContact CB-CG 4.3Å; P228-L235 HydrophobicContact CG-CD1 3.68Å; V230-L235 HydrophobicContact CB-CD1 4.32Å; V230-L235 VanDerWaalsContact O-CD1 3.26Å; V230-L235 WeakPolarHBondContact O-CD1 3.42Å; L232-L235 PolarHBondContact O-N 3.48Å; L235-N237 VanDerWaalsContact C-N 3.28Å |
| 236 | L | 58.6 | Low | 54.1 | Low | 143 Ų | 143 | 115.7 Ų | 115.7 | 75% | 0.749 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -83.3 | -2.4 | 174.5 | -140 | 79.6 | 0 | 0 | 0 | 112.7 | L232 G238 | L232-L236 VanDerWaalsContact O-CB 3.31Å; L232-L236 WeakPolarHBondContact O-CB 3.14Å; L232-L236 PolarHBondContact O-N 3.36Å; L236-G238 VanDerWaalsContact C-N 3.28Å; L236-G238 PolarHBondContact O-N 3.21Å |
| 237 | N | 55.2 | Low | 53.7 | Low | 102 Ų | 102 | 120.2 Ų | 120.2 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | trans | -89.2 | 60.1 | 176.2 | -90.9 | 29.3 | 0 | 0 | 0 | 111.6 | R233 L235 Q239 | R233-N237 VanDerWaalsContact O-CB 3.31Å; R233-N237 WeakPolarHBondContact O-CB 3.41Å; R233-N237 PolarHBondContact O-OD1 3.03Å; R233-N237 VanDerWaalsContact O-OD1 3.09Å; L235-N237 VanDerWaalsContact C-N 3.28Å; N237-Q239 PolarHBondContact O-N 3.2Å | ||
| 238 | G | 54 | Low | 53.8 | Low | 73 Ų | 73 | 127.2 Ų | 127.2 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -76.2 | -2.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L236 | L236-G238 VanDerWaalsContact C-N 3.28Å; L236-G238 PolarHBondContact O-N 3.21Å |
| 239 | Q | 59 | Low | 53.6 | Low | 157 Ų | 157 | 128.8 Ų | 128.8 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | trans | -140.5 | 58.6 | 179 | -68.7 | -173.9 | -18.6 | 0 | 0 | 112 | N237 Y241 | N237-Q239 PolarHBondContact O-N 3.2Å; Q239-Y241 HydrophobicContact CB-CE2 4.31Å | ||
| 240 | C | 48.4 | Very low | 53.9 | Low | 83 Ų | 83 | 133.8 Ų | 133.8 | 56% | 0.561 | 67% | 0.665 | S | S | * | * | trans | -96.4 | 102 | 157.7 | -165.9 | 0 | 0 | 0 | 0 | 108.3 | Y242 | C240-Y242 PolarHBondContact O-N 3.06Š| ||
| 241 | Y | 49.1 | Very low | 54 | Low | 207 Ų | 207 | 136.3 Ų | 136.3 | 81% | 0.812 | 69% | 0.685 | S | S | * | * | trans | -72.8 | 16.6 | 174.8 | -73.8 | -85.9 | 0 | 0 | 0 | 113.6 | Q239 K243 | Q239-Y241 HydrophobicContact CB-CE2 4.31Å; Y241-K243 PolarHBondContact O-N 3.07Å | ||
| 242 | Y | 50.3 | Low | 54.1 | Low | 174 Ų | 174 | 136.4 Ų | 136.4 | 68% | 0.682 | 69% | 0.692 | S | S | * | * | trans | -86.4 | 93.2 | 171.5 | -170.4 | -103.5 | 0 | 0 | 0 | 109.2 | C240 P244 | C240-Y242 PolarHBondContact O-N 3.06Å; Y242-P244 HydrophobicContact CD1-CG 4.49Å; Y242-P244 HydrophobicContact CE1-CB 3.93Å; Y242-P244 HydrophobicContact CE1-CG 4.21Å; Y242-P244 WeakPolarHBondContact O-CD 3.19Å | ||
| 243 | K | 55.8 | Low | 54.3 | Low | 191 Ų | 191 | 136.6 Ų | 136.6 | 83% | 0.83 | 70% | 0.7 | S | S | * | * | trans | -91.7 | 97.5 | 165.2 | -71.5 | -176.8 | 178.9 | 177.5 | 0 | 107.7 | Y241 | Y241-K243 PolarHBondContact O-N 3.07Š| ||
| 244 | P | 48.1 | Very low | 54.5 | Low | 79 Ų | 79 | 138.1 Ų | 138.1 | 51% | 0.513 | 71% | 0.711 | S | S | . | * | trans | -58.7 | 135.2 | 170.5 | 23.6 | -29.8 | 0 | 0 | 0 | 108.4 | Y242 V246 | Y242-P244 HydrophobicContact CD1-CG 4.49Å; Y242-P244 HydrophobicContact CE1-CB 3.93Å; Y242-P244 HydrophobicContact CE1-CG 4.21Å; Y242-P244 WeakPolarHBondContact O-CD 3.19Å; P244-V246 PolarHBondContact O-N 2.89Å | ||
| 245 | P | 48.4 | Very low | 54.8 | Low | 114 Ų | 114 | 140.1 Ų | 140.1 | 74% | 0.74 | 73% | 0.727 | S | S | * | * | trans | -53.9 | 130.3 | 180 | -27.3 | 34.7 | 0 | 0 | 0 | 111.6 | E247 | P245-E247 PolarHBondContact O-N 3.48Š| ||
| 246 | V | 55.3 | Low | 55.1 | Low | 114 Ų | 114 | 138.6 Ų | 138.6 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | -74 | 69.1 | 169.2 | 153.1 | 0 | 0 | 0 | 0 | 108.5 | P244 R248 | P244-V246 PolarHBondContact O-N 2.89Å; V246-R248 HydrophobicContact CG1-CG 4.33Å; V246-R248 PolarHBondContact O-N 3.33Å | ||
| 247 | E | 48.8 | Very low | 54.9 | Low | 179 Ų | 179 | 137.2 Ų | 137.2 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | trans | -91.6 | 87.6 | 156.5 | -80.3 | -173.2 | 164.8 | 0 | 0 | 107.7 | P245 S249 | P245-E247 PolarHBondContact O-N 3.48Å; E247-S249 PolarHBondContact O-N 3.08Å | ||
| 248 | R | 55.6 | Low | 54.9 | Low | 198 Ų | 198 | 140.3 Ų | 140.3 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | trans | -65 | 116.4 | 168.4 | -78 | -178.6 | 168.8 | 105 | -2.6 | 108.7 | V246 R250 | V246-R248 HydrophobicContact CG1-CG 4.33Å; V246-R248 PolarHBondContact O-N 3.33Å; R248-R250 PolarHBondContact O-N 3.46Å | ||
| 249 | S | 50 | Low | 55.1 | Low | 91 Ų | 91 | 142.6 Ų | 142.6 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | -57 | 124.7 | 157.6 | 1.7 | 0 | 0 | 0 | 0 | 108.1 | E247 S251 | E247-S249 PolarHBondContact O-N 3.08Å; S249-S251 PolarHBondContact O-N 3Å | ||
| 250 | R | 59.7 | Low | 55 | Low | 259 Ų | 259 | 142.2 Ų | 142.2 | 98% | 0.977 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 15.9 | -174.4 | -63.3 | -179.6 | 176.1 | -178.3 | -1.8 | 114.8 | R248 | R248-R250 PolarHBondContact O-N 3.46Š|
| 251 | S | 58.7 | Low | 56.1 | Low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | 1.7 | -168.9 | 45.3 | 0 | 0 | 0 | 0 | 115 | S249 | S249-S251 PolarHBondContact O-N 3Š|
| 252 | A | 60.7 | Low | 56.8 | Low | 78 Ų | 78 | 138.8 Ų | 138.8 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -102 | 124.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 253 | P | 58.1 | Low | 57.6 | Low | 120 Ų | 120 | 135.3 Ų | 135.3 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | trans | -56.8 | 140.6 | 173.4 | -22.1 | 32.4 | 0 | 0 | 0 | 111.3 | L255 | P253-L255 PolarHBondContact O-N 3.26Š| ||
| 254 | K | 62.2 | Low | 58.3 | Low | 201 Ų | 201 | 127.6 Ų | 127.6 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | trans | -65.7 | 108.3 | 177.7 | -69.2 | 178.1 | -179.1 | 175.6 | 0 | 108.9 | G256 | K254-G256 PolarHBondContact O-N 2.9Š| ||
| 255 | L | 60.2 | Low | 59.1 | Low | 177 Ų | 177 | 128.9 Ų | 128.9 | 93% | 0.927 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 116.8 | 165.9 | -66.3 | 172.1 | 0 | 0 | 0 | 107.9 | P253 | P253-L255 PolarHBondContact O-N 3.26Š|
| 256 | G | 60.2 | Low | 59.9 | Low | 65 Ų | 65 | 130 Ų | 130 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -71 | 156.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K254 I258 | K254-G256 PolarHBondContact O-N 2.9Å; G256-I258 PolarHBondContact O-N 2.8Å |
| 257 | S | 55 | Low | 60.4 | Low | 114 Ų | 114 | 131.5 Ų | 131.5 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 123.2 | 168 | 48.8 | 0 | 0 | 0 | 0 | 108.9 | T259 | S257-T259 PolarHBondContact O-N 3.45Š|
| 258 | I | 55.3 | Low | 61.2 | Low | 167 Ų | 167 | 129.9 Ų | 129.9 | 86% | 0.856 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 116.9 | 168.4 | -59.1 | 170.2 | 0 | 0 | 0 | 105.5 | G256 | G256-I258 PolarHBondContact O-N 2.8Š|
| 259 | T | 57.6 | Low | 61.7 | Low | 120 Ų | 120 | 126.8 Ų | 126.8 | 74% | 0.736 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 124 | 169.8 | 46.3 | 0 | 0 | 0 | 0 | 107.7 | S257 D261 | S257-T259 PolarHBondContact O-N 3.45Å; T259-D261 PolarHBondContact O-N 3.17Å |
| 260 | E | 57.3 | Low | 62.6 | Low | 150 Ų | 150 | 130.3 Ų | 130.3 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 117.2 | 171.3 | 57.1 | -151.4 | 150 | 0 | 0 | 109.4 | L262 | E260-L262 HydrophobicContact CG-CD2 4.4Å; E260-L262 PolarHBondContact O-N 3.46Å |
| 261 | D | 72.6 | Confident | 62.8 | Low | 105 Ų | 105 | 120.7 Ų | 120.7 | 56% | 0.561 | 67% | 0.671 | S | S | * | * | trans | -91.2 | 83.7 | 175.6 | -176.5 | 2.7 | 0 | 0 | 0 | 108.3 | T259 V263 G264 E265 | T259-D261 PolarHBondContact O-N 3.17Å; D261-V263 PolarHBondContact O-N 3.37Å; D261-V263 VanDerWaalsContact O-N 3.1Å; D261-V263 PolarHBondContact OD1-N 3.03Å; D261-G264 PolarHBondContact O-N 3.48Å; D261-G264 VanDerWaalsContact O-N 3.12Å; D261-G264 PolarHBondContact OD1-N 3.37Å; D261-E265 PolarHBondContact O-N 2.85Å | ||
| 262 | L | 63 | Low | 62.7 | Low | 112 Ų | 112 | 121.8 Ų | 121.8 | 59% | 0.586 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -56.2 | -26.7 | -177.6 | -62.1 | 171.7 | 0 | 0 | 0 | 112.8 | E260 E266 | E260-L262 HydrophobicContact CG-CD2 4.4Å; E260-L262 PolarHBondContact O-N 3.46Å; L262-E266 PolarHBondContact O-N 2.61Å; L262-E266 VanDerWaalsContact O-N 3.11Å |
| 263 | V | 66.8 | Low | 62.5 | Low | 102 Ų | 102 | 123.3 Ų | 123.3 | 62% | 0.618 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -78.7 | -40.4 | -179.2 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | D261 E265 E267 | D261-V263 PolarHBondContact O-N 3.37Å; D261-V263 VanDerWaalsContact O-N 3.1Å; D261-V263 PolarHBondContact OD1-N 3.03Å; V263-E265 VanDerWaalsContact C-N 3.34Å; V263-E267 PolarHBondContact O-N 2.96Å; V263-E267 VanDerWaalsContact O-N 3.15Å |
| 264 | G | 70 | Confident | 61.9 | Low | 29 Ų | 29 | 124.7 Ų | 124.7 | 30% | 0.299 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -65.5 | -37.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D261 E267 E268 | D261-G264 PolarHBondContact O-N 3.48Å; D261-G264 VanDerWaalsContact O-N 3.12Å; D261-G264 PolarHBondContact OD1-N 3.37Å; G264-E267 PolarHBondContact O-N 3.17Å; G264-E268 WeakPolarHBondContact O-CB 3.4Å; G264-E268 PolarHBondContact O-N 2.71Å; G264-E268 VanDerWaalsContact O-N 3.07Å |
| 265 | E | 65.3 | Low | 61.4 | Low | 105 Ų | 105 | 122.3 Ų | 122.3 | 49% | 0.491 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -68.3 | -42.7 | 176.3 | -70.4 | 178.3 | 174.2 | 0 | 0 | 112.1 | D261 V263 E267 E268 E269 | D261-E265 PolarHBondContact O-N 2.85Å; V263-E265 VanDerWaalsContact C-N 3.34Å; E265-E267 VanDerWaalsContact C-N 3.31Å; E265-E267 PolarHBondContact O-N 2.88Å; E265-E268 PolarHBondContact O-N 2.88Å; E265-E269 WeakPolarHBondContact O-CB 3.14Å; E265-E269 WeakPolarHBondContact O-CG 3.27Å; E265-E269 PolarHBondContact O-N 2.8Å |
| 266 | E | 65.9 | Low | 60.9 | Low | 138 Ų | 138 | 117.1 Ų | 117.1 | 65% | 0.645 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.1 | -37 | 174.2 | -94.1 | -171.1 | 163.5 | 0 | 0 | 112.5 | L262 K270 | L262-E266 PolarHBondContact O-N 2.61Å; L262-E266 VanDerWaalsContact O-N 3.11Å; E266-K270 WeakPolarHBondContact O-CB 3.48Å; E266-K270 PolarHBondContact O-N 3.46Å |
| 267 | E | 66.7 | Low | 60.2 | Low | 146 Ų | 146 | 119.3 Ų | 119.3 | 68% | 0.682 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.2 | -35.7 | -179.8 | -154.4 | 166.7 | -150.8 | 0 | 0 | 111.6 | V263 G264 E265 A271 | V263-E267 PolarHBondContact O-N 2.96Å; V263-E267 VanDerWaalsContact O-N 3.15Å; G264-E267 PolarHBondContact O-N 3.17Å; E265-E267 VanDerWaalsContact C-N 3.31Å; E265-E267 PolarHBondContact O-N 2.88Å; E267-A271 WeakPolarHBondContact O-CB 3.36Å; E267-A271 PolarHBondContact O-N 3.06Å |
| 268 | E | 65.6 | Low | 59.5 | Low | 144 Ų | 144 | 120.3 Ų | 120.3 | 67% | 0.673 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72 | -38.4 | 173.9 | -152.6 | 171.5 | -152.1 | 0 | 0 | 111.8 | G264 E265 A271 M272 | G264-E268 WeakPolarHBondContact O-CB 3.4Å; G264-E268 PolarHBondContact O-N 2.71Å; G264-E268 VanDerWaalsContact O-N 3.07Å; E265-E268 PolarHBondContact O-N 2.88Å; E268-A271 PolarHBondContact O-N 2.93Å; E268-M272 PolarHBondContact O-N 3.02Å |
| 269 | E | 65.4 | Low | 59.4 | Low | 134 Ų | 134 | 117.8 Ų | 117.8 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.9 | -41 | 171.8 | -79.2 | -169 | 165.6 | 0 | 0 | 112.2 | E265 M272 H273 | E265-E269 WeakPolarHBondContact O-CB 3.14Å; E265-E269 WeakPolarHBondContact O-CG 3.27Å; E265-E269 PolarHBondContact O-N 2.8Å; E269-M272 PolarHBondContact O-N 2.86Å; E269-H273 WeakPolarHBondContact O-CB 3.48Å; E269-H273 PolarHBondContact O-N 2.9Å |
| 270 | K | 67.6 | Low | 58.9 | Low | 164 Ų | 164 | 117.4 Ų | 117.4 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.7 | -34.4 | 178.7 | -160.4 | 170.2 | -169.4 | 172 | 0 | 112.1 | E266 H273 F274 | E266-K270 WeakPolarHBondContact O-CB 3.48Å; E266-K270 PolarHBondContact O-N 3.46Å; K270-H273 PolarHBondContact O-N 2.84Å; K270-F274 PolarHBondContact O-N 2.97Å; K270-F274 VanDerWaalsContact O-N 3.12Å |
| 271 | A | 65.3 | Low | 58.4 | Low | 58 Ų | 58 | 117.5 Ų | 117.5 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.8 | -42 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E267 E268 F274 E275 | E267-A271 WeakPolarHBondContact O-CB 3.36Å; E267-A271 PolarHBondContact O-N 3.06Å; E268-A271 PolarHBondContact O-N 2.93Å; A271-F274 PolarHBondContact O-N 3.3Å; A271-E275 PolarHBondContact O-N 2.97Å |
| 272 | M | 57.2 | Low | 57.2 | Low | 128 Ų | 128 | 117.2 Ų | 117.2 | 63% | 0.631 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.6 | -34 | 174.6 | -78 | -151.8 | -63.7 | 0 | 0 | 113.4 | E268 E269 C276 | E268-M272 PolarHBondContact O-N 3.02Å; E269-M272 PolarHBondContact O-N 2.86Å; M272-C276 WeakPolarHBondContact O-CB 3.43Å; M272-C276 PolarHBondContact O-N 3.24Å |
| 273 | H | 56 | Low | 56.6 | Low | 111 Ų | 111 | 120.4 Ų | 120.4 | 51% | 0.514 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.5 | -42.4 | 176.8 | -164.8 | -82.5 | 0 | 0 | 0 | 111.3 | E269 K270 E275 C276 E277 | E269-H273 WeakPolarHBondContact O-CB 3.48Å; E269-H273 PolarHBondContact O-N 2.9Å; K270-H273 PolarHBondContact O-N 2.84Å; H273-E275 PolarHBondContact O-N 2.8Å; H273-C276 PolarHBondContact O-N 3.45Å; H273-C276 VanDerWaalsContact O-N 3.13Å; H273-E277 VanDerWaalsContact CE1-CD 3.5Å; H273-E277 IonicContact CE1-OE1 3.93Å; H273-E277 IonicContact CE1-OE2 2.98Å; H273-E277 PolarHBondContact CE1-OE2 3.06Å; H273-E277 IonicContact ND1-OE2 3.87Å; H273-E277 PolarHBondContact ND1-OE2 3.29Å; H273-E277 PolarHBondContact O-N 3.41Å |
| 274 | F | 45.2 | Very low | 55.6 | Low | 148 Ų | 148 | 117.2 Ų | 117.2 | 65% | 0.649 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.9 | -35.4 | 179.7 | -154.9 | -94.5 | 0 | 0 | 0 | 112.5 | K270 A271 C276 | K270-F274 PolarHBondContact O-N 2.97Å; K270-F274 VanDerWaalsContact O-N 3.12Å; A271-F274 PolarHBondContact O-N 3.3Å; F274-C276 VanDerWaalsContact C-N 3.3Å; F274-C276 PolarHBondContact O-N 3.13Å |
| 275 | E | 51.3 | Low | 54.7 | Low | 151 Ų | 151 | 122.3 Ų | 122.3 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.3 | -24.3 | 172.5 | -71.9 | -167.8 | 166 | 0 | 0 | 113.5 | A271 H273 I279 | A271-E275 PolarHBondContact O-N 2.97Å; H273-E275 PolarHBondContact O-N 2.8Å; E275-I279 WeakPolarHBondContact O-CD1 3.3Å |
| 276 | C | 49.1 | Very low | 54.1 | Low | 69 Ų | 69 | 123.4 Ų | 123.4 | 47% | 0.466 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -85.8 | -33 | -179.2 | -156.1 | 0 | 0 | 0 | 0 | 112.2 | M272 H273 F274 I279 L280 | M272-C276 WeakPolarHBondContact O-CB 3.43Å; M272-C276 PolarHBondContact O-N 3.24Å; H273-C276 PolarHBondContact O-N 3.45Å; H273-C276 VanDerWaalsContact O-N 3.13Å; F274-C276 VanDerWaalsContact C-N 3.3Å; F274-C276 PolarHBondContact O-N 3.13Å; C276-I279 PolarHBondContact O-N 2.74Å; C276-L280 WeakPolarHBondContact O-CG 3.27Å |
| 277 | E | 45.3 | Very low | 53.3 | Low | 111 Ų | 111 | 121.9 Ų | 121.9 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -74.8 | -33.2 | -176.4 | -147.2 | 147.9 | -154.1 | 0 | 0 | 112.3 | H273 I279 L280 | H273-E277 VanDerWaalsContact CE1-CD 3.5Å; H273-E277 IonicContact CE1-OE1 3.93Å; H273-E277 IonicContact CE1-OE2 2.98Å; H273-E277 PolarHBondContact CE1-OE2 3.06Å; H273-E277 IonicContact ND1-OE2 3.87Å; H273-E277 PolarHBondContact ND1-OE2 3.29Å; H273-E277 PolarHBondContact O-N 3.41Å; E277-I279 PolarHBondContact O-N 3.38Å; E277-I279 VanDerWaalsContact O-N 3.12Å; E277-L280 PolarHBondContact O-N 3.39Å |
| 278 | D | 41 | Very low | 52.8 | Low | 134 Ų | 134 | 120.9 Ų | 120.9 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -12.1 | 170.9 | -88.5 | -10.3 | 0 | 0 | 0 | 113.6 | ||
| 279 | I | 52.7 | Low | 52.3 | Low | 115 Ų | 115 | 120.5 Ų | 120.5 | 59% | 0.59 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -16.7 | 176.1 | -58.5 | 175 | 0 | 0 | 0 | 111.7 | E275 C276 E277 | E275-I279 WeakPolarHBondContact O-CD1 3.3Å; C276-I279 PolarHBondContact O-N 2.74Å; E277-I279 PolarHBondContact O-N 3.38Å; E277-I279 VanDerWaalsContact O-N 3.12Å |
| 280 | L | 47.7 | Very low | 51.9 | Low | 111 Ų | 111 | 118.8 Ų | 118.8 | 58% | 0.581 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -5.2 | -168.4 | -68.3 | 175.1 | 0 | 0 | 0 | 115.1 | C276 E277 | C276-L280 WeakPolarHBondContact O-CG 3.27Å; E277-L280 PolarHBondContact O-N 3.39Å |
| 281 | D | 47.8 | Very low | 51.3 | Low | 153 Ų | 153 | 115.4 Ų | 115.4 | 82% | 0.818 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -107.8 | 59.8 | 179 | -118.9 | 10.3 | 0 | 0 | 0 | 112.8 | ||
| 282 | S | 46.5 | Very low | 51.1 | Low | 98 Ų | 98 | 116.2 Ų | 116.2 | 69% | 0.685 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -171.1 | 136.2 | 151.6 | -90.5 | 0 | 0 | 0 | 0 | 111 | C284 | S282-C284 VanDerWaalsContact O-CB 3.28Å; S282-C284 WeakPolarHBondContact O-CB 3.26Å; S282-C284 PolarHBondContact O-N 3.48Å |
| 283 | D | 51 | Low | 51.3 | Low | 180 Ų | 180 | 115.3 Ų | 115.3 | 96% | 0.963 | 60% | 0.597 | S | S | * | * | trans | -38.3 | 102.1 | 177.6 | -67.9 | -48.1 | 0 | 0 | 0 | 114.3 | ||||
| 284 | C | 44.9 | Very low | 51.3 | Low | 35 Ų | 35 | 113.8 Ų | 113.8 | 24% | 0.236 | 59% | 0.591 | C | S | . | * | trans | -143.7 | 38.3 | -170.2 | 80.1 | 0 | 0 | 0 | 0 | 116.6 | S282 N286 E287 K288 | S282-C284 VanDerWaalsContact O-CB 3.28Å; S282-C284 WeakPolarHBondContact O-CB 3.26Å; S282-C284 PolarHBondContact O-N 3.48Å; C284-N286 PolarHBondContact O-N 3.41Å; C284-E287 HydrophobicContact CB-CB 3.85Å; C284-E287 HydrophobicContact CB-CG 3.9Å; C284-E287 PolarHBondContact O-N 3.37Å; C284-K288 PolarHBondContact O-N 3.37Å | ||
| 285 | V | 51.7 | Low | 52 | Low | 136 Ų | 136 | 111.3 Ų | 111.3 | 82% | 0.824 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.7 | -27.6 | 167.9 | -145.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 286 | N | 51.6 | Low | 52.5 | Low | 127 Ų | 127 | 106.7 Ų | 106.7 | 68% | 0.679 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -77.7 | -42.8 | 179 | -154.9 | 56.1 | 0 | 0 | 0 | 112.6 | C284 K288 H289 E290 | C284-N286 PolarHBondContact O-N 3.41Å; N286-K288 PolarHBondContact O-N 3.35Å; N286-H289 WeakPolarHBondContact O-CB 3.46Å; N286-H289 PolarHBondContact O-N 3.16Å; N286-E290 PolarHBondContact O-N 2.87Å |
| 287 | E | 50.5 | Low | 53 | Low | 107 Ų | 107 | 108 Ų | 108 | 50% | 0.5 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.6 | -38.3 | 178.4 | -68.6 | -85 | 147.7 | 0 | 0 | 112.4 | C284 H289 E290 L291 | C284-E287 HydrophobicContact CB-CB 3.85Å; C284-E287 HydrophobicContact CB-CG 3.9Å; C284-E287 PolarHBondContact O-N 3.37Å; E287-H289 VanDerWaalsContact C-N 3.27Å; E287-H289 PolarHBondContact O-N 3.49Å; E287-E290 PolarHBondContact O-N 2.93Å; E287-L291 WeakPolarHBondContact O-CB 3.2Å; E287-L291 VanDerWaalsContact O-CG 3.3Å; E287-L291 WeakPolarHBondContact O-CG 3.46Å; E287-L291 PolarHBondContact O-N 3.24Å |
| 288 | K | 55.2 | Low | 53.5 | Low | 125 Ų | 125 | 108.3 Ų | 108.3 | 54% | 0.543 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.3 | -35.7 | 175.7 | -73.4 | -175.1 | 178.7 | 175.9 | 0 | 112.1 | C284 N286 T292 | C284-K288 PolarHBondContact O-N 3.37Å; N286-K288 PolarHBondContact O-N 3.35Å; K288-T292 VanDerWaalsContact O-CB 3.3Å; K288-T292 WeakPolarHBondContact O-CB 3.5Å; K288-T292 PolarHBondContact O-N 3.14Å; K288-T292 PolarHBondContact O-OG1 2.87Å |
| 289 | H | 54.8 | Low | 54.5 | Low | 135 Ų | 135 | 103.8 Ų | 103.8 | 63% | 0.625 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.6 | -39.3 | 177.1 | -148 | -78.6 | 0 | 0 | 0 | 110.9 | N286 E287 T292 Q293 | N286-H289 WeakPolarHBondContact O-CB 3.46Å; N286-H289 PolarHBondContact O-N 3.16Å; E287-H289 VanDerWaalsContact C-N 3.27Å; E287-H289 PolarHBondContact O-N 3.49Å; H289-T292 PolarHBondContact O-N 3.35Å; H289-Q293 WeakPolarHBondContact O-CB 3.33Å; H289-Q293 PolarHBondContact O-N 2.86Å |
| 290 | E | 57.4 | Low | 55.6 | Low | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.4 | -45.6 | 175.9 | -169.8 | 163.7 | -172.3 | 0 | 0 | 112.3 | N286 E287 T292 Q293 I294 | N286-E290 PolarHBondContact O-N 2.87Å; E287-E290 PolarHBondContact O-N 2.93Å; E290-T292 VanDerWaalsContact C-N 3.33Å; E290-T292 PolarHBondContact O-N 3.28Å; E290-Q293 CarbonylContact O-C 3.58Å; E290-Q293 WeakPolarHBondContact O-CB 3.43Å; E290-Q293 PolarHBondContact O-N 2.9Å; E290-Q293 VanDerWaalsContact O-N 3.13Å; E290-I294 HydrophobicContact CG-CD1 4.09Å; E290-I294 VanDerWaalsContact O-CG1 3.25Å; E290-I294 WeakPolarHBondContact O-CG1 3.45Å; E290-I294 PolarHBondContact O-N 3.01Å |
| 291 | L | 54.3 | Low | 57.3 | Low | 94 Ų | 94 | 98.1 Ų | 98.1 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 172.6 | -71 | 173.2 | 0 | 0 | 0 | 111.9 | E287 Q293 I294 I295 | E287-L291 WeakPolarHBondContact O-CB 3.2Å; E287-L291 VanDerWaalsContact O-CG 3.3Å; E287-L291 WeakPolarHBondContact O-CG 3.46Å; E287-L291 PolarHBondContact O-N 3.24Å; L291-Q293 VanDerWaalsContact C-N 3.3Å; L291-Q293 PolarHBondContact O-N 2.85Å; L291-I294 PolarHBondContact O-N 3.46Å; L291-I295 WeakPolarHBondContact O-CB 3.3Å; L291-I295 WeakPolarHBondContact O-CD1 3.17Å; L291-I295 WeakPolarHBondContact O-CG1 3.19Å; L291-I295 PolarHBondContact O-N 3.26Å |
| 292 | T | 61.5 | Low | 59.1 | Low | 74 Ų | 74 | 92.3 Ų | 92.3 | 45% | 0.454 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 174.8 | -59.4 | 0 | 0 | 0 | 0 | 111 | K288 H289 E290 I295 N296 | K288-T292 VanDerWaalsContact O-CB 3.3Å; K288-T292 WeakPolarHBondContact O-CB 3.5Å; K288-T292 PolarHBondContact O-N 3.14Å; K288-T292 PolarHBondContact O-OG1 2.87Å; H289-T292 PolarHBondContact O-N 3.35Å; E290-T292 VanDerWaalsContact C-N 3.33Å; E290-T292 PolarHBondContact O-N 3.28Å; T292-I295 PolarHBondContact O-N 3.3Å; T292-N296 WeakPolarHBondContact O-CB 3.45Å; T292-N296 PolarHBondContact O-N 2.92Å; T292-N296 PolarHBondContact O-ND2 3.15Å |
| 293 | Q | 61 | Low | 61.1 | Low | 110 Ų | 110 | 89 Ų | 89 | 51% | 0.514 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 176.8 | -166.4 | 163.1 | -0.1 | 0 | 0 | 111.7 | H289 E290 L291 I295 N296 D297 | H289-Q293 WeakPolarHBondContact O-CB 3.33Å; H289-Q293 PolarHBondContact O-N 2.86Å; E290-Q293 CarbonylContact O-C 3.58Å; E290-Q293 WeakPolarHBondContact O-CB 3.43Å; E290-Q293 PolarHBondContact O-N 2.9Å; E290-Q293 VanDerWaalsContact O-N 3.13Å; L291-Q293 VanDerWaalsContact C-N 3.3Å; L291-Q293 PolarHBondContact O-N 2.85Å; Q293-I295 VanDerWaalsContact C-N 3.35Å; Q293-I295 PolarHBondContact O-N 2.79Å; Q293-N296 WeakPolarHBondContact O-CB 3.46Å; Q293-N296 PolarHBondContact O-N 2.84Å; Q293-N296 VanDerWaalsContact O-N 3.14Å; Q293-D297 WeakPolarHBondContact O-CB 3.48Å; Q293-D297 PolarHBondContact O-N 3.24Å |
| 294 | I | 57.3 | Low | 62.6 | Low | 78 Ų | 78 | 81.8 Ų | 81.8 | 40% | 0.4 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 173.7 | -66.6 | 163.7 | 0 | 0 | 0 | 111.2 | E290 L291 N296 D297 L298 | E290-I294 HydrophobicContact CG-CD1 4.09Å; E290-I294 VanDerWaalsContact O-CG1 3.25Å; E290-I294 WeakPolarHBondContact O-CG1 3.45Å; E290-I294 PolarHBondContact O-N 3.01Å; L291-I294 PolarHBondContact O-N 3.46Å; I294-N296 VanDerWaalsContact C-N 3.34Å; I294-D297 PolarHBondContact O-N 2.79Å; I294-L298 HydrophobicContact CG2-CD1 3.77Å; I294-L298 HydrophobicContact CG2-CG 4.35Å; I294-L298 WeakPolarHBondContact O-CB 3.15Å; I294-L298 VanDerWaalsContact O-CG 3.23Å; I294-L298 WeakPolarHBondContact O-CG 3.38Å; I294-L298 PolarHBondContact O-N 3.09Å |
| 295 | I | 60.3 | Low | 64.6 | Low | 97 Ų | 97 | 81.5 Ų | 81.5 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 175.6 | -69.5 | 163.3 | 0 | 0 | 0 | 111 | L291 T292 Q293 G299 | L291-I295 WeakPolarHBondContact O-CB 3.3Å; L291-I295 WeakPolarHBondContact O-CD1 3.17Å; L291-I295 WeakPolarHBondContact O-CG1 3.19Å; L291-I295 PolarHBondContact O-N 3.26Å; T292-I295 PolarHBondContact O-N 3.3Å; Q293-I295 VanDerWaalsContact C-N 3.35Å; Q293-I295 PolarHBondContact O-N 2.79Å; I295-G299 PolarHBondContact O-N 2.78Å |
| 296 | N | 61.1 | Low | 66.4 | Low | 54 Ų | 54 | 79.3 Ų | 79.3 | 29% | 0.289 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 175.3 | -74.7 | -39.4 | 0 | 0 | 0 | 111.3 | K206 T292 Q293 I294 G299 E300 | K206-N296 WeakPolarHBondContact CE-OD1 3.41Å; K206-N296 PolarHBondContact NZ-OD1 2.85Å; T292-N296 WeakPolarHBondContact O-CB 3.45Å; T292-N296 PolarHBondContact O-N 2.92Å; T292-N296 PolarHBondContact O-ND2 3.15Å; Q293-N296 WeakPolarHBondContact O-CB 3.46Å; Q293-N296 PolarHBondContact O-N 2.84Å; Q293-N296 VanDerWaalsContact O-N 3.14Å; I294-N296 VanDerWaalsContact C-N 3.34Å; N296-G299 PolarHBondContact O-N 3.14Å; N296-E300 PolarHBondContact O-N 3.35Å; N296-E300 VanDerWaalsContact O-N 3.15Å |
| 297 | D | 58.8 | Low | 68.1 | Low | 97 Ų | 97 | 74.3 Ų | 74.3 | 52% | 0.519 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -73.1 | -32.6 | -177.2 | -67.4 | -12.1 | 0 | 0 | 0 | 112.5 | K91 Q293 I294 | K91-D297 PolarHBondContact NZ-O 3.02Å; Q293-D297 WeakPolarHBondContact O-CB 3.48Å; Q293-D297 PolarHBondContact O-N 3.24Å; I294-D297 PolarHBondContact O-N 2.79Å |
| 298 | L | 56.8 | Low | 69.8 | Low | 117 Ų | 117 | 75.4 Ų | 75.4 | 61% | 0.613 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -72.7 | -34.8 | 173.2 | -73.6 | 170.4 | 0 | 0 | 0 | 112 | I294 | I294-L298 HydrophobicContact CG2-CD1 3.77Å; I294-L298 HydrophobicContact CG2-CG 4.35Å; I294-L298 WeakPolarHBondContact O-CB 3.15Å; I294-L298 VanDerWaalsContact O-CG 3.23Å; I294-L298 WeakPolarHBondContact O-CG 3.38Å; I294-L298 PolarHBondContact O-N 3.09Å |
| 299 | G | 61.4 | Low | 71.3 | Confident | 39 Ų | 39 | 73.8 Ų | 73.8 | 40% | 0.402 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -77 | -26.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | I295 N296 M301 | I295-G299 PolarHBondContact O-N 2.78Å; N296-G299 PolarHBondContact O-N 3.14Å; G299-M301 PolarHBondContact O-N 3.11Å |
| 300 | E | 75.8 | Confident | 72.9 | Confident | 99 Ų | 99 | 67.6 Ų | 67.6 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -82.2 | 115.6 | -177.5 | -167.8 | 163.6 | -164 | 0 | 0 | 111.9 | K91 L202 N296 S302 | K91-E300 PolarHBondContact NZ-O 3.13Å; L202-E300 HydrophobicContact CD2-CB 4.31Å; N296-E300 PolarHBondContact O-N 3.35Å; N296-E300 VanDerWaalsContact O-N 3.15Å; E300-S302 PolarHBondContact O-N 2.81Å |
| 301 | M | 83.4 | Confident | 74.3 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 3% | 0.034 | 37% | 0.368 | C | S | . | . | trans | -69.1 | 131 | 172.2 | -175.6 | 177.3 | 71.2 | 0 | 0 | 109.4 | I146 C149 L194 Y195 S198 G299 | I146-M301 HydrophobicContact CB-SD 4.07Å; I146-M301 HydrophobicContact CG2-CG 4.42Å; I146-M301 HydrophobicContact CG2-SD 3.51Å; I146-M301 VanDerWaalsContact CG2-SD 3.51Å; C149-M301 HydrophobicContact CB-CE 4.46Å; C149-M301 HydrophobicContact CB-SD 4.39Å; L194-M301 HydrophobicContact CB-CE 4.39Å; L194-M301 HydrophobicContact CD2-CE 4.29Å; L194-M301 HydrophobicContact CD2-SD 4.25Å; L194-M301 HydrophobicContact CG-CE 3.75Å; L194-M301 HydrophobicContact CG-SD 4.18Å; L194-M301 WeakPolarHBondContact O-CE 3.38Å; Y195-M301 HydrophobicContact CD2-CE 4.45Å; Y195-M301 WeakPolarHBondContact CE2-O 3.34Å; S198-M301 WeakPolarHBondContact OG-CE 3.48Å; G299-M301 PolarHBondContact O-N 3.11Å | ||
| 302 | S | 85.6 | Confident | 75.9 | Confident | 31 Ų | 31 | 66.5 Ų | 66.5 | 22% | 0.217 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 151.3 | 177.2 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | K91 T147 Y148 C149 E300 | K91-S302 WeakPolarHBondContact CB-OG 3.49Å; K91-S302 WeakPolarHBondContact CD-OG 3.34Å; K91-S302 VanDerWaalsContact CG-OG 3.23Å; K91-S302 WeakPolarHBondContact CG-OG 3.45Å; T147-S302 PolarHBondContact O-N 3.39Å; T147-S302 PolarHBondContact O-OG 3.44Å; T147-S302 VanDerWaalsContact O-OG 3.09Å; Y148-S302 VanDerWaalsContact CA-O 3.3Å; Y148-S302 WeakPolarHBondContact CA-O 3.46Å; Y148-S302 WeakPolarHBondContact CD2-O 3.41Å; Y148-S302 WeakPolarHBondContact CD2-OG 3.4Å; C149-S302 PolarHBondContact N-O 2.88Å; C149-S302 VanDerWaalsContact N-O 3.08Å; E300-S302 PolarHBondContact O-N 2.81Å |
| 303 | I | 88.7 | Confident | 77.1 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132 | 177.6 | -175.6 | 167.8 | 0 | 0 | 0 | 109.4 | C149 A191 Y195 N305 V307 L310 | C149-I303 WeakPolarHBondContact O-CA 3.47Å; A191-I303 HydrophobicContact CB-CD1 4.42Å; Y195-I303 HydrophobicContact CD1-CG2 4.37Å; Y195-I303 HydrophobicContact CD2-CB 3.84Å; Y195-I303 HydrophobicContact CD2-CG2 3.72Å; Y195-I303 HydrophobicContact CE1-CG2 4.43Å; Y195-I303 HydrophobicContact CE2-CB 4.36Å; Y195-I303 HydrophobicContact CE2-CG2 3.8Å; Y195-I303 HydrophobicContact CG-CB 4.15Å; Y195-I303 HydrophobicContact CG-CD1 4.13Å; Y195-I303 HydrophobicContact CG-CG2 4.03Å; I303-N305 VanDerWaalsContact C-N 3.26Å; I303-N305 HydrophobicContact CD1-CB 4.46Å; I303-N305 HydrophobicContact CG1-CB 4.23Å; I303-N305 PolarHBondContact O-N 3.3Å; I303-V307 HydrophobicContact CG2-CG2 3.39Å; I303-L310 HydrophobicContact CD1-CD1 3.96Å |
| 304 | G | 83.3 | Confident | 78.2 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -77 | -11.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y148 C149 | Y148-G304 VanDerWaalsContact CE2-CA 3.49Å; Y148-G304 VanDerWaalsContact CZ-CA 3.41Å; Y148-G304 WeakPolarHBondContact OH-CA 3.27Å; C149-G304 PolarHBondContact O-N 3.03Å |
| 305 | N | 86.8 | Confident | 79.6 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 16% | 0.155 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -102.4 | 149.4 | -178.3 | -59.3 | 93 | 0 | 0 | 0 | 109.9 | V150 A151 I303 V307 L310 | V150-N305 WeakPolarHBondContact CA-OD1 3.48Å; V150-N305 WeakPolarHBondContact CG2-OD1 3.4Å; A151-N305 PolarHBondContact N-OD1 2.8Å; A151-N305 PolarHBondContact O-ND2 2.88Å; I303-N305 VanDerWaalsContact C-N 3.26Å; I303-N305 HydrophobicContact CD1-CB 4.46Å; I303-N305 HydrophobicContact CG1-CB 4.23Å; I303-N305 PolarHBondContact O-N 3.3Å; N305-V307 PolarHBondContact O-N 2.86Å; N305-V307 VanDerWaalsContact O-N 3.09Å; N305-L310 HydrophobicContact CB-CD1 3.5Å; N305-L310 HydrophobicContact CB-CG 4.09Å |
| 306 | D | 88.1 | Confident | 80.8 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | trans | -64.2 | 114.6 | 169.8 | 174.5 | 30.9 | 0 | 0 | 0 | 110.8 | Q308 T309 L310 | D306-Q308 VanDerWaalsContact C-N 3.25Å; D306-Q308 PolarHBondContact O-N 2.8Å; D306-Q308 PolarHBondContact OD1-N 3.2Å; D306-Q308 VanDerWaalsContact OD1-N 3.08Å; D306-T309 PolarHBondContact O-N 3.36Å; D306-T309 WeakPolarHBondContact OD2-CB 3.5Å; D306-T309 PolarHBondContact OD2-N 2.79Å; D306-T309 PolarHBondContact OD2-OG1 3.49Å; D306-L310 WeakPolarHBondContact O-CG 3.44Å; D306-L310 PolarHBondContact O-N 2.83Å | ||
| 307 | V | 87.1 | Confident | 81.9 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 13% | 0.127 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -35.5 | -179.2 | 180 | 0 | 0 | 0 | 0 | 111.2 | L192 Y195 I303 N305 L310 K311 | L192-V307 HydrophobicContact CD1-CG1 4.22Å; Y195-V307 HydrophobicContact CD1-CG1 4.32Å; Y195-V307 HydrophobicContact CD1-CG2 4.07Å; Y195-V307 HydrophobicContact CE1-CG1 3.98Å; Y195-V307 HydrophobicContact CE1-CG2 3.69Å; I303-V307 HydrophobicContact CG2-CG2 3.39Å; N305-V307 PolarHBondContact O-N 2.86Å; N305-V307 VanDerWaalsContact O-N 3.09Å; V307-L310 PolarHBondContact O-N 3.43Å; V307-K311 HydrophobicContact CG1-CD 3.95Å; V307-K311 VanDerWaalsContact CG1-CE 3.49Å; V307-K311 HydrophobicContact CG1-CG 4.36Å; V307-K311 WeakPolarHBondContact O-CB 3.43Å; V307-K311 VanDerWaalsContact O-CG 3.27Å; V307-K311 WeakPolarHBondContact O-CG 3.27Å; V307-K311 PolarHBondContact O-N 3.23Å |
| 308 | Q | 86.5 | Confident | 83.1 | Confident | 131 Ų | 131 | 63.2 Ų | 63.2 | 61% | 0.612 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -69.8 | -47.2 | -178.5 | -61.3 | -59.4 | -16.5 | 0 | 0 | 110.6 | D306 L310 K311 A312 | D306-Q308 VanDerWaalsContact C-N 3.25Å; D306-Q308 PolarHBondContact O-N 2.8Å; D306-Q308 PolarHBondContact OD1-N 3.2Å; D306-Q308 VanDerWaalsContact OD1-N 3.08Å; Q308-L310 VanDerWaalsContact C-N 3.31Å; Q308-L310 PolarHBondContact O-N 3.5Å; Q308-K311 PolarHBondContact O-N 3.12Å; Q308-A312 WeakPolarHBondContact O-CB 3.49Å; Q308-A312 PolarHBondContact O-N 3.22Å |
| 309 | T | 88 | Confident | 84.4 | Confident | 90 Ų | 90 | 59.8 Ų | 59.8 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -57.6 | -43.3 | 173.3 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | D306 K311 A312 D313 | D306-T309 PolarHBondContact O-N 3.36Å; D306-T309 WeakPolarHBondContact OD2-CB 3.5Å; D306-T309 PolarHBondContact OD2-N 2.79Å; D306-T309 PolarHBondContact OD2-OG1 3.49Å; T309-K311 PolarHBondContact O-N 3.28Å; T309-A312 PolarHBondContact O-N 3.49Å; T309-D313 PolarHBondContact O-N 2.94Å |
| 310 | L | 87.3 | Confident | 85.5 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 177.8 | -73.3 | -176.7 | 0 | 0 | 0 | 113.1 | K188 L192 I303 N305 D306 V307 Q308 | K188-L310 HydrophobicContact CB-CD2 3.7Å; K188-L310 HydrophobicContact CD-CD2 3.88Å; K188-L310 HydrophobicContact CG-CD2 3.8Å; L192-L310 HydrophobicContact CB-CB 4.4Å; L192-L310 HydrophobicContact CB-CD1 4.23Å; L192-L310 HydrophobicContact CD1-CB 4.14Å; L192-L310 HydrophobicContact CD2-CB 4.15Å; L192-L310 HydrophobicContact CG-CB 4.46Å; I303-L310 HydrophobicContact CD1-CD1 3.96Å; N305-L310 HydrophobicContact CB-CD1 3.5Å; N305-L310 HydrophobicContact CB-CG 4.09Å; D306-L310 WeakPolarHBondContact O-CG 3.44Å; D306-L310 PolarHBondContact O-N 2.83Å; V307-L310 PolarHBondContact O-N 3.43Å; Q308-L310 VanDerWaalsContact C-N 3.31Å; Q308-L310 PolarHBondContact O-N 3.5Å |
| 311 | K | 87 | Confident | 85.5 | Confident | 97 Ų | 97 | 60.1 Ų | 60.1 | 42% | 0.422 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -72 | -30.3 | 175.6 | -75.1 | 175.1 | 179.2 | 173.7 | 0 | 112.5 | L192 V307 Q308 T309 T317 | L192-K311 HydrophobicContact CD1-CG 4.03Å; L192-K311 HydrophobicContact CD2-CG 4.13Å; V307-K311 HydrophobicContact CG1-CD 3.95Å; V307-K311 VanDerWaalsContact CG1-CE 3.49Å; V307-K311 HydrophobicContact CG1-CG 4.36Å; V307-K311 WeakPolarHBondContact O-CB 3.43Å; V307-K311 VanDerWaalsContact O-CG 3.27Å; V307-K311 WeakPolarHBondContact O-CG 3.27Å; V307-K311 PolarHBondContact O-N 3.23Å; Q308-K311 PolarHBondContact O-N 3.12Å; T309-K311 PolarHBondContact O-N 3.28Å; K311-T317 WeakPolarHBondContact O-CG2 3.39Å |
| 312 | A | 87.3 | Confident | 84.7 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 60% | 0.595 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -78.8 | -24.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q308 T309 L314 | Q308-A312 WeakPolarHBondContact O-CB 3.49Å; Q308-A312 PolarHBondContact O-N 3.22Å; T309-A312 PolarHBondContact O-N 3.49Å; A312-L314 PolarHBondContact O-N 3.35Å |
| 313 | D | 87.7 | Confident | 83.4 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 16% | 0.16 | 37% | 0.373 | C | S | . | . | trans | -66.6 | 106.3 | 177.9 | -168.7 | -23.3 | 0 | 0 | 0 | 110.6 | T309 R315 V316 T317 | T309-D313 PolarHBondContact O-N 2.94Å; D313-R315 PolarHBondContact O-N 3.4Å; D313-R315 VanDerWaalsContact O-N 3.15Å; D313-R315 WeakPolarHBondContact OD1-CB 3.12Å; D313-R315 PolarHBondContact OD1-N 2.91Å; D313-R315 IonicContact OD1-NE 2.74Å; D313-R315 PolarHBondContact OD1-NE 2.8Å; D313-R315 IonicContact OD1-NH2 2.94Å; D313-R315 IonicContact OD2-CZ 3.42Å; D313-R315 IonicContact OD2-NE 3.21Å; D313-R315 IonicContact OD2-NH2 2.78Å; D313-R315 PolarHBondContact OD2-NH2 2.83Å; D313-V316 HydrophobicContact CB-CB 4.13Å; D313-V316 HydrophobicContact CB-CG2 3.95Å; D313-V316 WeakPolarHBondContact O-CB 3.41Å; D313-V316 PolarHBondContact O-N 3.31Å; D313-T317 PolarHBondContact O-N 3.32Å; D313-T317 PolarHBondContact O-OG1 3.38Å | ||
| 314 | L | 84.7 | Confident | 81.4 | Confident | 111 Ų | 111 | 70.3 Ų | 70.3 | 58% | 0.581 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58 | -28.2 | -180 | -66.1 | 176.6 | 0 | 0 | 0 | 113 | A312 T317 R318 | A312-L314 PolarHBondContact O-N 3.35Å; L314-T317 VanDerWaalsContact CA-OG1 3.31Å; L314-T317 WeakPolarHBondContact CA-OG1 3.39Å; L314-T317 PolarHBondContact O-OG1 2.71Å; L314-R318 VanDerWaalsContact O-CB 3.31Å; L314-R318 WeakPolarHBondContact O-CB 3.46Å; L314-R318 WeakPolarHBondContact O-CD 3.29Å; L314-R318 WeakPolarHBondContact O-CG 3.24Å; L314-R318 PolarHBondContact O-N 2.87Å |
| 315 | R | 85.7 | Confident | 79.6 | Confident | 120 Ų | 120 | 75.3 Ų | 75.3 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -73.9 | -36.1 | 179.5 | -56.4 | 172.9 | -62.9 | 160.5 | 8.9 | 110.7 | E185 D313 L319 | E185-R315 HydrophobicContact CB-CB 4.44Å; E185-R315 HydrophobicContact CG-CB 3.86Å; E185-R315 IonicContact OE1-CZ 2.82Å; E185-R315 IonicContact OE1-NH1 3.51Å; E185-R315 PolarHBondContact OE1-NH1 3.23Å; E185-R315 IonicContact OE1-NH2 3.31Å; D313-R315 PolarHBondContact O-N 3.4Å; D313-R315 VanDerWaalsContact O-N 3.15Å; D313-R315 WeakPolarHBondContact OD1-CB 3.12Å; D313-R315 PolarHBondContact OD1-N 2.91Å; D313-R315 IonicContact OD1-NE 2.74Å; D313-R315 PolarHBondContact OD1-NE 2.8Å; D313-R315 IonicContact OD1-NH2 2.94Å; D313-R315 IonicContact OD2-CZ 3.42Å; D313-R315 IonicContact OD2-NE 3.21Å; D313-R315 IonicContact OD2-NH2 2.78Å; D313-R315 PolarHBondContact OD2-NH2 2.83Å; R315-L319 VanDerWaalsContact O-CG 3.3Å; R315-L319 WeakPolarHBondContact O-CG 3.03Å; R315-L319 PolarHBondContact O-N 3.45Å |
| 316 | V | 85 | Confident | 77.4 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.4 | -47.9 | 175.5 | 171 | 0 | 0 | 0 | 0 | 110 | K188 A189 L192 D313 R318 L319 L320 | K188-V316 HydrophobicContact CB-CG2 3.73Å; K188-V316 HydrophobicContact CD-CG2 4.44Å; A189-V316 HydrophobicContact CB-CG1 3.9Å; L192-V316 HydrophobicContact CD2-CG1 3.93Å; D313-V316 HydrophobicContact CB-CB 4.13Å; D313-V316 HydrophobicContact CB-CG2 3.95Å; D313-V316 WeakPolarHBondContact O-CB 3.41Å; D313-V316 PolarHBondContact O-N 3.31Å; V316-R318 PolarHBondContact O-N 2.79Å; V316-L319 WeakPolarHBondContact O-CB 3.37Å; V316-L319 PolarHBondContact O-N 3.11Å; V316-L320 HydrophobicContact CG1-CD1 4.29Å; V316-L320 WeakPolarHBondContact O-CG 3.48Å; V316-L320 PolarHBondContact O-N 3.43Å |
| 317 | T | 84.8 | Confident | 75 | Confident | 41 Ų | 41 | 78 Ų | 78 | 25% | 0.252 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | -178.9 | 54 | 0 | 0 | 0 | 0 | 112.5 | K311 D313 L314 L319 L320 S321 | K311-T317 WeakPolarHBondContact O-CG2 3.39Å; D313-T317 PolarHBondContact O-N 3.32Å; D313-T317 PolarHBondContact O-OG1 3.38Å; L314-T317 VanDerWaalsContact CA-OG1 3.31Å; L314-T317 WeakPolarHBondContact CA-OG1 3.39Å; L314-T317 PolarHBondContact O-OG1 2.71Å; T317-L319 VanDerWaalsContact C-N 3.29Å; T317-L319 PolarHBondContact O-N 3Å; T317-L320 PolarHBondContact O-N 3.29Å; T317-L320 VanDerWaalsContact O-N 3.08Å; T317-S321 PolarHBondContact O-N 3.02Å; T317-S321 PolarHBondContact O-OG 3.23Å; T317-S321 VanDerWaalsContact O-OG 3.07Å |
| 318 | R | 85.2 | Confident | 73.2 | Confident | 138 Ų | 138 | 85.8 Ų | 85.8 | 52% | 0.521 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.1 | -38.3 | 173.3 | -77 | 174.1 | -170.3 | 169.9 | 4.9 | 113.2 | L314 V316 L320 S321 G322 | L314-R318 VanDerWaalsContact O-CB 3.31Å; L314-R318 WeakPolarHBondContact O-CB 3.46Å; L314-R318 WeakPolarHBondContact O-CD 3.29Å; L314-R318 WeakPolarHBondContact O-CG 3.24Å; L314-R318 PolarHBondContact O-N 2.87Å; V316-R318 PolarHBondContact O-N 2.79Å; R318-L320 VanDerWaalsContact C-N 3.32Å; R318-S321 PolarHBondContact O-N 3.01Å; R318-G322 PolarHBondContact O-N 3.2Å |
| 319 | L | 84 | Confident | 70.9 | Confident | 45 Ų | 45 | 84.6 Ų | 84.6 | 24% | 0.236 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -67.2 | -33.9 | 176.5 | -72 | 172.5 | 0 | 0 | 0 | 112.2 | E185 K186 A189 R315 V316 T317 | E185-L319 HydrophobicContact CB-CD1 3.82Å; K186-L319 HydrophobicContact CG-CD1 4.01Å; A189-L319 HydrophobicContact CB-CB 4.35Å; A189-L319 HydrophobicContact CB-CD1 4.38Å; R315-L319 VanDerWaalsContact O-CG 3.3Å; R315-L319 WeakPolarHBondContact O-CG 3.03Å; R315-L319 PolarHBondContact O-N 3.45Å; V316-L319 WeakPolarHBondContact O-CB 3.37Å; V316-L319 PolarHBondContact O-N 3.11Å; T317-L319 VanDerWaalsContact C-N 3.29Å; T317-L319 PolarHBondContact O-N 3Å |
| 320 | L | 83 | Confident | 68.6 | Low | 52 Ų | 52 | 85.5 Ų | 85.5 | 27% | 0.272 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -79.3 | -30.3 | 177.8 | -62.6 | 178.1 | 0 | 0 | 0 | 112.6 | A189 L192 L193 V316 T317 R318 G322 | A189-L320 HydrophobicContact CB-CD2 4.08Å; A189-L320 HydrophobicContact CB-CG 4.3Å; L192-L320 HydrophobicContact CD2-CD1 3.92Å; L192-L320 HydrophobicContact CG-CD1 4.4Å; L193-L320 HydrophobicContact CB-CD2 3.89Å; L193-L320 HydrophobicContact CD1-CD2 4.3Å; L193-L320 HydrophobicContact CD2-CD2 4.4Å; L193-L320 HydrophobicContact CG-CD2 4.42Å; V316-L320 HydrophobicContact CG1-CD1 4.29Å; V316-L320 WeakPolarHBondContact O-CG 3.48Å; V316-L320 PolarHBondContact O-N 3.43Å; T317-L320 PolarHBondContact O-N 3.29Å; T317-L320 VanDerWaalsContact O-N 3.08Å; R318-L320 VanDerWaalsContact C-N 3.32Å; L320-G322 VanDerWaalsContact C-N 3.27Å; L320-G322 PolarHBondContact O-N 3.32Å |
| 321 | S | 77.1 | Confident | 66.3 | Low | 94 Ų | 94 | 91.2 Ų | 91.2 | 66% | 0.657 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -3.9 | 179.4 | -59.2 | 0 | 0 | 0 | 0 | 114.4 | T317 R318 E323 | T317-S321 PolarHBondContact O-N 3.02Å; T317-S321 PolarHBondContact O-OG 3.23Å; T317-S321 VanDerWaalsContact O-OG 3.07Å; R318-S321 PolarHBondContact O-N 3.01Å; S321-E323 VanDerWaalsContact C-N 3.28Å; S321-E323 PolarHBondContact O-N 3.28Å |
| 322 | G | 66.2 | Low | 63.9 | Low | 49 Ų | 49 | 94.8 Ų | 94.8 | 51% | 0.505 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 13 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R318 L320 S324 | R318-G322 PolarHBondContact O-N 3.2Å; L320-G322 VanDerWaalsContact C-N 3.27Å; L320-G322 PolarHBondContact O-N 3.32Å; G322-S324 PolarHBondContact O-N 3.47Å |
| 323 | E | 57.4 | Low | 61.6 | Low | 164 Ų | 164 | 96 Ų | 96 | 77% | 0.766 | 55% | 0.553 | S | S | * | * | trans | -79.5 | -4 | -179.7 | -155.3 | 176.9 | 146.1 | 0 | 0 | 112.8 | S321 | S321-E323 VanDerWaalsContact C-N 3.28Å; S321-E323 PolarHBondContact O-N 3.28Å | ||
| 324 | S | 46.6 | Very low | 59.2 | Low | 67 Ų | 67 | 100.8 Ų | 100.8 | 47% | 0.469 | 58% | 0.578 | S | S | . | * | trans | -131.5 | 61.6 | -173.7 | -178.3 | 0 | 0 | 0 | 0 | 112.8 | G322 | G322-S324 PolarHBondContact O-N 3.47Š| ||
| 325 | T | 45.8 | Very low | 56.9 | Low | 134 Ų | 134 | 104.7 Ų | 104.7 | 82% | 0.822 | 59% | 0.594 | S | S | * | * | trans | -126 | 48 | 162.8 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 326 | G | 40.2 | Very low | 54.3 | Low | 57 Ų | 57 | 107.3 Ų | 107.3 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | trans | -110.7 | 138.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 327 | S | 39.1 | Very low | 51.8 | Low | 118 Ų | 118 | 117.3 Ų | 117.3 | 83% | 0.825 | 66% | 0.655 | S | S | * | * | trans | 86.9 | 75.1 | 178 | -42.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 328 | E | 48 | Very low | 49.3 | Very low | 185 Ų | 185 | 121.5 Ų | 121.5 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | 29.2 | 128.5 | 113 | -38.6 | -178.9 | 152.1 | 0 | 0 | 117.8 | |||||
| 329 | S | 39.1 | Very low | 46.8 | Very low | 106 Ų | 106 | 120.7 Ų | 120.7 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | trans | -150.1 | 87.2 | 142.6 | 69.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 330 | S | 39.1 | Very low | 44.3 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | -46.3 | 131 | 161.1 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | E332 | S330-E332 PolarHBondContact O-N 3.4Š| ||
| 331 | I | 40.3 | Very low | 42 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 65% | 0.646 | 75% | 0.75 | S | S | * | * | trans | -77.2 | 99.2 | 164.5 | 60.7 | 108.9 | 0 | 0 | 0 | 105.9 | S333 | I331-S333 PolarHBondContact O-N 3.28Š| ||
| 332 | E | 36 | Very low | 39.9 | Very low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -80.6 | 103.6 | 173.9 | -160.1 | 167 | -161.1 | 0 | 0 | 107.7 | S330 N334 | S330-E332 PolarHBondContact O-N 3.4Å; E332-N334 PolarHBondContact O-N 3.38Å | ||
| 333 | S | 39.8 | Very low | 38.3 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -83 | 95.6 | 169.5 | 47.9 | 0 | 0 | 0 | 0 | 108.4 | I331 | I331-S333 PolarHBondContact O-N 3.28Š| ||
| 334 | N | 36.3 | Very low | 37.2 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -142.3 | 94.5 | 160.6 | -90.5 | -25.5 | 0 | 0 | 0 | 108.5 | E332 | E332-N334 PolarHBondContact O-N 3.38Š| ||
| 335 | Q | 36.5 | Very low | 36.6 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -132.8 | 81.8 | 158.5 | -135.8 | 171.4 | 27.7 | 0 | 0 | 106.4 | F337 | Q335-F337 PolarHBondContact O-N 3.48Š| ||
| 336 | E | 31.3 | Very low | 36 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 124.7 | 164.5 | -83.4 | 179.3 | 144.9 | 0 | 0 | 108.6 | T338 | E336-T338 PolarHBondContact O-N 3.36Š|
| 337 | F | 31.5 | Very low | 35.8 | Very low | 209 Ų | 209 | 141.5 Ų | 141.5 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 119.4 | 166.1 | -90.8 | -104.4 | 0 | 0 | 0 | 109.4 | Q335 | Q335-F337 PolarHBondContact O-N 3.48Š|
| 338 | T | 32.9 | Very low | 35.6 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 124.4 | 160.7 | 21.5 | 0 | 0 | 0 | 0 | 108.9 | E336 | E336-T338 PolarHBondContact O-N 3.36Š|
| 339 | P | 33.3 | Very low | 35 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81 | 122.2 | 173.6 | 30.3 | -28.5 | 0 | 0 | 0 | 109.5 | S341 | P339-S341 PolarHBondContact O-N 3.26Š|
| 340 | L | 31.8 | Very low | 34.9 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -73.6 | 107.6 | 168 | -82.8 | 155.1 | 0 | 0 | 0 | 108.7 | ||||
| 341 | S | 33.8 | Very low | 34.5 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -75.5 | 125.5 | 167.9 | 50 | 0 | 0 | 0 | 0 | 109.9 | P339 G343 | P339-S341 PolarHBondContact O-N 3.26Å; S341-G343 PolarHBondContact O-N 3.32Å | ||
| 342 | N | 33 | Very low | 34.2 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | trans | -70.4 | 109.4 | 169.4 | -82.2 | -19.3 | 0 | 0 | 0 | 109.5 | ||||
| 343 | G | 31.9 | Very low | 34.2 | Very low | 79 Ų | 79 | 149.3 Ų | 149.3 | 81% | 0.814 | 85% | 0.854 | S | S | * | * | trans | -86 | 101 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S341 G345 | S341-G343 PolarHBondContact O-N 3.32Å; G343-G345 PolarHBondContact O-N 3.26Å | ||
| 344 | L | 34.3 | Very low | 34 | Very low | 174 Ų | 174 | 152 Ų | 152 | 91% | 0.911 | 86% | 0.862 | S | S | * | * | trans | -73.7 | 104 | 163.9 | -92 | 151.5 | 0 | 0 | 0 | 108.3 | ||||
| 345 | G | 34.4 | Very low | 33.9 | Very low | 65 Ų | 65 | 153 Ų | 153 | 67% | 0.67 | 87% | 0.871 | S | S | * | * | trans | -83.7 | 120.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G343 V347 | G343-G345 PolarHBondContact O-N 3.26Å; G345-V347 PolarHBondContact O-N 3.48Å | ||
| 346 | E | 33.9 | Very low | 33.7 | Very low | 198 Ų | 198 | 150.8 Ų | 150.8 | 93% | 0.925 | 87% | 0.869 | S | S | * | * | trans | -53.5 | 127.8 | 167.8 | -71.3 | 174 | 126.5 | 0 | 0 | 111.2 | ||||
| 347 | V | 36.6 | Very low | 33.8 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 82% | 0.818 | 87% | 0.872 | S | S | * | * | trans | -114.8 | 116.1 | 163.1 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | G345 | G345-V347 PolarHBondContact O-N 3.48Š| ||
| 348 | K | 33.8 | Very low | 34 | Very low | 196 Ų | 196 | 145.6 Ų | 145.6 | 85% | 0.852 | 87% | 0.869 | S | S | * | * | trans | -51.6 | 130.2 | 173.6 | -84.9 | 172.7 | 169 | 175.5 | 0 | 111.5 | ||||
| 349 | V | 35.9 | Very low | 34.1 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 86% | 0.861 | 87% | 0.874 | S | S | * | * | trans | -83.2 | 126.7 | 160.1 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 350 | L | 36 | Very low | 34.1 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 82% | 0.817 | 88% | 0.881 | S | S | * | * | trans | -142.5 | 116.1 | 160.3 | -131.4 | 146.7 | 0 | 0 | 0 | 108 | ||||
| 351 | E | 32.3 | Very low | 34.3 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 88% | 0.878 | S | S | * | * | trans | -17.6 | 148.5 | 166.9 | -94.5 | 167.8 | 119 | 0 | 0 | 118.1 | ||||
| 352 | V | 32.7 | Very low | 34.3 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 87% | 0.873 | 89% | 0.885 | S | S | * | * | -170.1 | 132.2 | 104.7 | 172.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 353 | A | 37.3 | Very low | 34.5 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 100% | 1.43 | 89% | 0.887 | S | S | * | * | trans | 126.3 | 0 | 153.2 | 0 | 0 | 0 | 0 | 0 | 114.4 |
Retrieved 353 of 353 residues in 750.2 ms
(Link to these results)