| 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 | 51.8 | Low | 55.4 | Low | 248 Ų | 248 | 148.7 Ų | 148.7 | 100% | 1.222 | 85% | 0.849 | S | S | * | * | 0 | 110.7 | 0 | -66.7 | -170.7 | -172.2 | 0 | 0 | 107.4 | |||||
| 2 | A | 46.1 | Very low | 55.1 | Low | 106 Ų | 106 | 152 Ų | 152 | 88% | 0.876 | 85% | 0.852 | S | S | * | * | trans | -77.6 | 122.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3 | S | 59.8 | Low | 54.8 | Low | 113 Ų | 113 | 149.5 Ų | 149.5 | 79% | 0.79 | 85% | 0.846 | S | S | * | * | trans | -87 | 110.4 | 178 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 4 | Q | 58.7 | Low | 53.8 | Low | 189 Ų | 189 | 152.6 Ų | 152.6 | 88% | 0.883 | 85% | 0.85 | S | S | * | * | trans | -76.2 | 139.5 | 169.9 | -74.4 | -157.7 | 52.9 | 0 | 0 | 110.8 | ||||
| 5 | I | 65.9 | Low | 52.5 | Low | 150 Ų | 150 | 152 Ų | 152 | 77% | 0.769 | 85% | 0.852 | S | S | * | * | trans | -108.5 | 125.1 | 173.7 | -45 | 170.3 | 0 | 0 | 0 | 107.2 | ||||
| 6 | P | 58.3 | Low | 51.7 | Low | 116 Ų | 116 | 151.1 Ų | 151.1 | 75% | 0.753 | 85% | 0.852 | S | S | * | * | trans | -81.4 | 130.9 | 177 | 29.8 | -31.3 | 0 | 0 | 0 | 111.9 | ||||
| 7 | I | 59.6 | Low | 50.9 | Low | 159 Ų | 159 | 149.2 Ų | 149.2 | 82% | 0.815 | 85% | 0.851 | S | S | * | * | trans | -88.8 | 116.6 | 173.2 | -61.6 | 168 | 0 | 0 | 0 | 108.4 | ||||
| 8 | T | 56.3 | Low | 50.4 | Low | 132 Ų | 132 | 146.9 Ų | 146.9 | 81% | 0.81 | 85% | 0.853 | S | S | * | * | trans | -89.9 | 114.6 | 171.3 | -56.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | V | 54.6 | Low | 49.7 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 79% | 0.794 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 120.9 | 172.1 | 174.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 10 | K | 49.4 | Very low | 49.3 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 87% | 0.87 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 118 | 175.9 | -172.7 | 174 | -179.3 | 173.9 | 0 | 109.8 | ||
| 11 | A | 48.6 | Very low | 48.8 | Very low | 92 Ų | 92 | 141.3 Ų | 141.3 | 76% | 0.76 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 138.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 12 | Q | 52.4 | Low | 48.3 | Very low | 188 Ų | 188 | 141.3 Ų | 141.3 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 143.6 | 169.6 | -77.3 | 178 | -49.2 | 0 | 0 | 110.7 | ||
| 13 | P | 51.4 | Low | 47.9 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 139.5 | 177 | 29.6 | -30.8 | 0 | 0 | 0 | 112.6 | ||
| 14 | Q | 40 | Very low | 47.4 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 130.8 | 171.3 | -63.2 | -179.1 | -32.7 | 0 | 0 | 110.3 | ||
| 15 | T | 34.9 | Very low | 46.8 | Very low | 144 Ų | 144 | 145.6 Ų | 145.6 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 122.6 | 165.8 | 49.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 16 | T | 39.4 | Very low | 45.9 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 85% | 0.847 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 138.5 | -178.3 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 17 | S | 38.7 | Very low | 45.4 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 144.3 | 168 | 66.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 18 | A | 40.7 | Very low | 44.4 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 89% | 0.893 | 85% | 0.845 | S | S | * | * | trans | -139.5 | 124.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 19 | A | 36.9 | Very low | 43.5 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 85% | 0.851 | 85% | 0.846 | S | S | * | * | trans | -115.7 | 136.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 20 | A | 41.8 | Very low | 43.3 | Very low | 97 Ų | 97 | 146 Ų | 146 | 80% | 0.802 | 85% | 0.848 | S | S | * | * | trans | 153.1 | 150.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 21 | V | 39.4 | Very low | 42.5 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 75% | 0.745 | 85% | 0.845 | S | S | * | * | cis | -170.3 | 145.8 | -8.2 | 138.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 22 | R | 41 | Very low | 42 | Very low | 248 Ų | 248 | 143.3 Ų | 143.3 | 94% | 0.936 | 85% | 0.848 | S | S | * | * | trans | 54.3 | 130.2 | 156.4 | -81.3 | 169.6 | 160.1 | -160.5 | -4.4 | 122.1 | ||||
| 23 | G | 38.8 | Very low | 41.2 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | trans | 174.8 | 78.8 | 150.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K25 | G23-K25 PolarHBondContact O-N 3.12Š| ||
| 24 | K | 48.3 | Very low | 40.1 | Very low | 213 Ų | 213 | 137.9 Ų | 137.9 | 93% | 0.926 | 84% | 0.844 | S | S | * | * | trans | -73.5 | 115.9 | 168.9 | -75.1 | -176.8 | 175.4 | 178.7 | 0 | 109.8 | ||||
| 25 | K | 45.5 | Very low | 39.6 | Very low | 206 Ų | 206 | 134.8 Ų | 134.8 | 90% | 0.896 | 84% | 0.838 | S | S | * | * | trans | -145.6 | 117.5 | 147.7 | -74.9 | -161.6 | 178.3 | -178.4 | 0 | 109.6 | G23 | G23-K25 PolarHBondContact O-N 3.12Š| ||
| 26 | R | 48.8 | Very low | 39.7 | Very low | 246 Ų | 246 | 136.4 Ų | 136.4 | 93% | 0.928 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 132.6 | 169.9 | -68.9 | 176.1 | 170.7 | -179.8 | -4.8 | 108.3 | ||
| 27 | P | 46.6 | Very low | 39.5 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 127.8 | 159.5 | 28.3 | -27.3 | 0 | 0 | 0 | 109.1 | ||
| 28 | G | 38.5 | Very low | 39.1 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 151.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 29 | S | 38.4 | Very low | 38.6 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 138.9 | 174 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | A31 | S29-A31 PolarHBondContact O-N 3.01Š|
| 30 | P | 49.6 | Very low | 38.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 121.7 | 170.2 | 28.4 | -29.8 | 0 | 0 | 0 | 109.6 | ||
| 31 | A | 31.7 | Very low | 37.9 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 133.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S29 | S29-A31 PolarHBondContact O-N 3.01Š|
| 32 | V | 39.8 | Very low | 37.5 | Very low | 136 Ų | 136 | 141 Ų | 141 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 134.6 | 171.9 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 33 | S | 34.1 | Very low | 37 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -163.8 | 134.2 | 156.5 | -80.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 34 | G | 30 | Very low | 36.7 | Very low | 65 Ų | 65 | 138.8 Ų | 138.8 | 67% | 0.67 | 83% | 0.828 | S | S | * | * | trans | 130.5 | 80.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 35 | V | 29.5 | Very low | 35.8 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | 78.6 | 123.1 | 96.4 | 171 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 36 | Q | 36 | Very low | 34.9 | Very low | 178 Ų | 178 | 127.1 Ų | 127.1 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | cis | -175.5 | 145.3 | 42.6 | -135.1 | 161.8 | 68.5 | 0 | 0 | 110.3 | ||||
| 37 | Q | 34.7 | Very low | 34.1 | Very low | 190 Ų | 190 | 121.2 Ų | 121.2 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | 156.7 | 100.2 | 142.9 | -91 | 176.4 | 13.7 | 0 | 0 | 108.9 | ||||
| 38 | A | 30.5 | Very low | 33.4 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | 90.1 | 105.9 | 79.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 39 | A | 30.3 | Very low | 33.1 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | 52.1 | 121.7 | 154 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 40 | V | 30.8 | Very low | 32.9 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | -167.8 | 140.2 | 96 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 41 | N | 32.8 | Very low | 32.1 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | -41 | 146.4 | 179.2 | -64.4 | -16.3 | 0 | 0 | 0 | 117.2 | ||||
| 42 | S | 32.6 | Very low | 32.4 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | 175.1 | 126.3 | 103.7 | -72.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 43 | S | 29.3 | Very low | 32.1 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -59 | 139.9 | 167.6 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 44 | I | 33.1 | Very low | 32 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -163 | 141.1 | 134.8 | -98.3 | 144.5 | 0 | 0 | 0 | 110.6 | ||||
| 45 | S | 29.8 | Very low | 31.9 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | -62.9 | 150.8 | -173.6 | 52.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 46 | G | 27 | Very low | 31.9 | Very low | 67 Ų | 67 | 143.6 Ų | 143.6 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | 88 | 120.3 | 111.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 47 | S | 30.2 | Very low | 31.6 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | 77.8 | 108.9 | 139.7 | 57.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 48 | K | 32.1 | Very low | 31.8 | Very low | 202 Ų | 202 | 137.4 Ų | 137.4 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | trans | -20.3 | 132.5 | 138.6 | -66.4 | 170.7 | 176.6 | 172.9 | 0 | 114.5 | ||||
| 49 | K | 32.9 | Very low | 31.7 | Very low | 214 Ų | 214 | 137.2 Ų | 137.2 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | -169.2 | 133.9 | 129.1 | -109.1 | 169.7 | -175.1 | 175.9 | 0 | 113.3 | |||||
| 50 | K | 33.6 | Very low | 31.5 | Very low | 201 Ų | 201 | 138 Ų | 138 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -72.1 | 152.9 | 162.1 | -73.9 | -179.7 | 168.8 | -177.5 | 0 | 111.3 | ||||
| 51 | K | 33.1 | Very low | 31.5 | Very low | 202 Ų | 202 | 139.3 Ų | 139.3 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | 165 | 170.4 | 139.4 | -97.2 | -179.2 | 179.7 | -171.1 | 0 | 109.7 | ||||
| 52 | P | 37.9 | Very low | 31.3 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | -128.7 | -177.9 | -60.5 | 35.7 | -16.3 | 0 | 0 | 0 | 111.4 | |||||
| 53 | P | 34.4 | Very low | 31.2 | Very low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 150.3 | 168.2 | 35 | -28 | 0 | 0 | 0 | 112 | ||
| 54 | L | 32.2 | Very low | 31.4 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -103 | 146.1 | 174.6 | -75.3 | 166.9 | 0 | 0 | 0 | 111.7 | ||
| 55 | T | 26.8 | Very low | 31.2 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 160.8 | 176.9 | -21 | 0 | 0 | 0 | 0 | 113.3 | ||
| 56 | V | 29.5 | Very low | 31.2 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | -177.7 | 138.7 | 82.9 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 57 | T | 29.6 | Very low | 31.5 | Very low | 121 Ų | 121 | 143 Ų | 143 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -95.2 | 159.2 | 163 | 50 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 58 | P | 38.8 | Very low | 31.7 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | -156.8 | 154 | 82.8 | 36.5 | -13.9 | 0 | 0 | 0 | 119.5 | |||||
| 59 | A | 27.9 | Very low | 31.4 | Very low | 90 Ų | 90 | 142.6 Ų | 142.6 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | 46.6 | 137.6 | 137.5 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 60 | T | 26.4 | Very low | 31.4 | Very low | 112 Ų | 112 | 138 Ų | 138 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | 164 | 128.2 | 103.5 | -62.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 61 | Q | 31.6 | Very low | 31.3 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | 58.6 | 141.1 | 152.6 | -65.1 | 166 | 38 | 0 | 0 | 120.9 | ||||
| 62 | T | 28.1 | Very low | 31.1 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | -166.6 | 158.4 | 67.5 | -61.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 63 | Q | 31.2 | Very low | 30.9 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -83.8 | -170.7 | -168.4 | -56.7 | 174.1 | 0.6 | 0 | 0 | 115.9 | ||||
| 64 | I | 32.7 | Very low | 30.9 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | 100.7 | 132.5 | 156.1 | 86 | 157.2 | 0 | 0 | 0 | 115.7 | ||||
| 65 | T | 29 | Very low | 30.6 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | cis | -159 | 141.8 | 8.3 | -82.6 | 0 | 0 | 0 | 0 | 108.8 | V67 | T65-V67 HydrophobicContact CG2-CG2 4.37Š| ||
| 66 | A | 29.4 | Very low | 30.6 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -111.2 | 137.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 67 | V | 33.9 | Very low | 30.6 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | trans | -135.1 | 111.8 | 164.4 | 155.3 | 0 | 0 | 0 | 0 | 107.1 | T65 | T65-V67 HydrophobicContact CG2-CG2 4.37Š| ||
| 68 | E | 34.2 | Very low | 30.7 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -77.8 | 148.4 | 156 | -87 | -172.6 | 129.4 | 0 | 0 | 109.1 | ||||
| 69 | T | 26.5 | Very low | 30.4 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -153.7 | 118.5 | 144.2 | -3.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 70 | V | 33.3 | Very low | 30.4 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -59.6 | 140.5 | 170.2 | 161.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 71 | V | 30.1 | Very low | 30.6 | Very low | 136 Ų | 136 | 138 Ų | 138 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | -156.1 | 111.4 | 129.9 | 170.1 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 72 | E | 29.9 | Very low | 30.5 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -92.7 | 128.2 | 156.7 | -175.2 | -169.4 | 153.6 | 0 | 0 | 107 | ||||
| 73 | M | 32.5 | Very low | 31.1 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -142.2 | 122.6 | 155.7 | -164.5 | 151.3 | -174.8 | 0 | 0 | 111.2 | ||||
| 74 | K | 35 | Very low | 30.9 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 74% | 0.735 | 80% | 0.795 | S | S | * | * | trans | -82.6 | 133.5 | -179.4 | -172.4 | -178.4 | -171.8 | 177.1 | 0 | 109.6 | ||||
| 75 | T | 26.7 | Very low | 31.2 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -154 | 139.4 | 149.7 | -15.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 76 | V | 26.9 | Very low | 31.4 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -74.7 | 140.2 | -169.5 | 159.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 77 | G | 29.5 | Very low | 31.9 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -148.5 | 99.1 | 163 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 78 | S | 31 | Very low | 32.3 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -77.5 | 133.2 | 171.2 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 79 | V | 32.1 | Very low | 33.1 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | -175.7 | 144.2 | 124.8 | -84.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 80 | D | 28.7 | Very low | 34.8 | Very low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -69.4 | 148 | -173 | -179.8 | 42 | 0 | 0 | 0 | 115.2 | ||||
| 81 | S | 30.8 | Very low | 36.3 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 151.7 | 122.5 | 139.5 | -68.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 82 | T | 29 | Very low | 38.1 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -69.1 | -178.6 | 177.6 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 83 | P | 41.2 | Very low | 40.2 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | -114 | 144.3 | -80.8 | 34.4 | -17.6 | 0 | 0 | 0 | 111.8 | |||||
| 84 | T | 26.5 | Very low | 42 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | trans | -129.9 | 118.9 | 167.7 | -38.3 | 0 | 0 | 0 | 0 | 110.5 | T86 | T84-T86 PolarHBondContact O-N 2.92Š| ||
| 85 | T | 39.3 | Very low | 44 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -38.6 | 123.3 | 164.5 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 86 | T | 33.4 | Very low | 46.3 | Very low | 123 Ų | 123 | 126 Ų | 126 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | 177.3 | 130.7 | 135.7 | 38.6 | 0 | 0 | 0 | 0 | 112.3 | T84 | T84-T86 PolarHBondContact O-N 2.92Š| ||
| 87 | E | 39.7 | Very low | 48.7 | Very low | 175 Ų | 175 | 125.3 Ų | 125.3 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | 60.6 | 110.9 | 145.9 | -62.4 | -168.4 | 147.9 | 0 | 0 | 121 | ||||
| 88 | T | 41.5 | Very low | 50.9 | Low | 137 Ų | 137 | 128.8 Ų | 128.8 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | -147.9 | 78.3 | 128.1 | 33.7 | 0 | 0 | 0 | 0 | 108.9 | V90 | T88-V90 VanDerWaalsContact C-N 3.26Å; T88-V90 PolarHBondContact O-N 3.29Å | |||
| 89 | V | 52.2 | Low | 53.2 | Low | 133 Ų | 133 | 130 Ų | 130 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | trans | -76.7 | 85.7 | 164.5 | 179.6 | 0 | 0 | 0 | 0 | 106.9 | K91 | V89-K91 VanDerWaalsContact C-N 3.26Å; V89-K91 PolarHBondContact O-N 3.01Å | ||
| 90 | V | 60.9 | Low | 55.4 | Low | 129 Ų | 129 | 129.2 Ų | 129.2 | 78% | 0.782 | 73% | 0.726 | S | S | * | * | trans | -62.1 | 101.2 | 156.3 | 178.4 | 0 | 0 | 0 | 0 | 104.9 | T88 A92 | T88-V90 VanDerWaalsContact C-N 3.26Å; T88-V90 PolarHBondContact O-N 3.29Å; V90-A92 VanDerWaalsContact C-N 3.33Å; V90-A92 PolarHBondContact O-N 2.83Å | ||
| 91 | K | 65.4 | Low | 57.5 | Low | 191 Ų | 191 | 130.2 Ų | 130.2 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | trans | -57.5 | 99.8 | 179.5 | -162.1 | 170.3 | -173 | 170.5 | 0 | 106.9 | V89 | V89-K91 VanDerWaalsContact C-N 3.26Å; V89-K91 PolarHBondContact O-N 3.01Å | ||
| 92 | A | 67.9 | Low | 59.1 | Low | 39 Ų | 39 | 130.7 Ų | 130.7 | 32% | 0.322 | 72% | 0.718 | S | S | . | * | trans | -54.1 | 145.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | V90 | V90-A92 VanDerWaalsContact C-N 3.33Å; V90-A92 PolarHBondContact O-N 2.83Å | ||
| 93 | P | 73.6 | Confident | 60.8 | Low | 60 Ų | 60 | 129 Ų | 129 | 39% | 0.39 | 71% | 0.712 | S | S | . | * | trans | -51.3 | 142.6 | 178.1 | -19.4 | 27.7 | 0 | 0 | 0 | 109.4 | F95 K96 | P93-F95 HydrophobicContact CB-CD1 3.57Å; P93-F95 HydrophobicContact CB-CD2 4.2Å; P93-F95 HydrophobicContact CB-CE1 3.18Å; P93-F95 HydrophobicContact CB-CE2 3.85Å; P93-F95 HydrophobicContact CB-CG 4.08Å; P93-F95 HydrophobicContact CB-CZ 3.33Å; P93-F95 HydrophobicContact CG-CE1 4.06Å; P93-F95 HydrophobicContact CG-CE2 4.17Å; P93-F95 HydrophobicContact CG-CZ 3.72Å; P93-F95 PolarHBondContact O-N 2.54Å; P93-K96 PolarHBondContact O-N 3.44Å | ||
| 94 | P | 71.8 | Confident | 61.5 | Low | 135 Ų | 135 | 125.4 Ų | 125.4 | 88% | 0.877 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -5.2 | -175.2 | 25.2 | -35.1 | 0 | 0 | 0 | 114.1 | ||
| 95 | F | 76.1 | Confident | 62.9 | Low | 164 Ų | 164 | 125.1 Ų | 125.1 | 72% | 0.719 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 2.9 | 174 | 61.2 | -102.3 | 0 | 0 | 0 | 114 | P93 | P93-F95 HydrophobicContact CB-CD1 3.57Å; P93-F95 HydrophobicContact CB-CD2 4.2Å; P93-F95 HydrophobicContact CB-CE1 3.18Å; P93-F95 HydrophobicContact CB-CE2 3.85Å; P93-F95 HydrophobicContact CB-CG 4.08Å; P93-F95 HydrophobicContact CB-CZ 3.33Å; P93-F95 HydrophobicContact CG-CE1 4.06Å; P93-F95 HydrophobicContact CG-CE2 4.17Å; P93-F95 HydrophobicContact CG-CZ 3.72Å; P93-F95 PolarHBondContact O-N 2.54Å |
| 96 | K | 75.2 | Confident | 63.7 | Low | 129 Ų | 129 | 122.2 Ų | 122.2 | 56% | 0.561 | 68% | 0.683 | S | S | * | * | trans | -119.2 | 87.9 | -177.3 | -147.1 | 78.7 | -177.9 | -178.1 | 0 | 110.3 | P93 N98 | P93-K96 PolarHBondContact O-N 3.44Å; K96-N98 PolarHBondContact O-N 2.56Å | ||
| 97 | D | 76.9 | Confident | 64.8 | Low | 117 Ų | 117 | 117.4 Ų | 117.4 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | trans | -71.1 | 119.7 | 172.4 | -69.1 | -20.5 | 0 | 0 | 0 | 109.8 | T99 F100 | D97-T99 PolarHBondContact O-N 3.34Å; D97-T99 VanDerWaalsContact O-N 3.14Å; D97-F100 HydrophobicContact CB-CB 3.86Å; D97-F100 VanDerWaalsContact O-CB 3.24Å; D97-F100 WeakPolarHBondContact O-CB 3.42Å; D97-F100 PolarHBondContact O-N 3.46Å | ||
| 98 | N | 76.3 | Confident | 65.5 | Low | 151 Ų | 151 | 115 Ų | 115 | 81% | 0.807 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -18.5 | 179.3 | -77.5 | 14.2 | 0 | 0 | 0 | 113.2 | K96 | K96-N98 PolarHBondContact O-N 2.56Š|
| 99 | T | 78.9 | Confident | 66.1 | Low | 132 Ų | 132 | 113.4 Ų | 113.4 | 81% | 0.81 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -3.1 | 176.7 | -45.6 | 0 | 0 | 0 | 0 | 112.4 | D97 M101 | D97-T99 PolarHBondContact O-N 3.34Å; D97-T99 VanDerWaalsContact O-N 3.14Å; T99-M101 PolarHBondContact O-N 2.79Å |
| 100 | F | 77.3 | Confident | 66.3 | Low | 129 Ų | 129 | 109.4 Ų | 109.4 | 57% | 0.566 | 65% | 0.65 | S | S | * | * | trans | -68.8 | 96.5 | -178.4 | -177 | -99.9 | 0 | 0 | 0 | 110.8 | D97 H102 | D97-F100 HydrophobicContact CB-CB 3.86Å; D97-F100 VanDerWaalsContact O-CB 3.24Å; D97-F100 WeakPolarHBondContact O-CB 3.42Å; D97-F100 PolarHBondContact O-N 3.46Å; F100-H102 AromaticContact CE1-CE1 3.68Å; F100-H102 AromaticContact CE1-CG 3.9Å; F100-H102 AromaticContact CE1-ND1 3.67Å; F100-H102 AromaticContact CE1-NE2 3.92Å; F100-H102 PolarHBondContact O-N 3.28Å | ||
| 101 | M | 74 | Confident | 66.1 | Low | 167 Ų | 167 | 106 Ų | 106 | 82% | 0.823 | 64% | 0.641 | S | S | * | * | trans | -78.2 | 114.2 | 167.6 | -60.2 | -133.7 | 80.4 | 0 | 0 | 107.8 | T99 S103 | T99-M101 PolarHBondContact O-N 2.79Å; M101-S103 PolarHBondContact O-N 2.88Å | ||
| 102 | H | 63.1 | Low | 65.9 | Low | 117 Ų | 117 | 107.3 Ų | 107.3 | 54% | 0.542 | 65% | 0.647 | S | S | . | * | trans | -54.7 | 116.4 | 165.7 | -97.5 | -62.9 | 0 | 0 | 0 | 108.1 | F100 G104 | F100-H102 AromaticContact CE1-CE1 3.68Å; F100-H102 AromaticContact CE1-CG 3.9Å; F100-H102 AromaticContact CE1-ND1 3.67Å; F100-H102 AromaticContact CE1-NE2 3.92Å; F100-H102 PolarHBondContact O-N 3.28Å; H102-G104 PolarHBondContact O-N 3.38Å | ||
| 103 | S | 65.1 | Low | 65.7 | Low | 95 Ų | 95 | 113.1 Ų | 113.1 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | trans | -51.3 | 111.7 | 164.9 | 21.8 | 0 | 0 | 0 | 0 | 105.8 | M101 I105 | M101-S103 PolarHBondContact O-N 2.88Å; S103-I105 PolarHBondContact O-N 3.48Å | ||
| 104 | G | 56.4 | Low | 65.3 | Low | 42 Ų | 42 | 117.1 Ų | 117.1 | 43% | 0.433 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -65.5 | 61.3 | -159.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | H102 | H102-G104 PolarHBondContact O-N 3.38Š|
| 105 | I | 55.6 | Low | 65.4 | Low | 135 Ų | 135 | 118.3 Ų | 118.3 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -118.8 | 8.9 | 179.3 | -74.4 | 144.5 | 0 | 0 | 0 | 109.8 | S103 | S103-I105 PolarHBondContact O-N 3.48Š|
| 106 | G | 56.2 | Low | 65.6 | Low | 66 Ų | 66 | 115.4 Ų | 115.4 | 68% | 0.68 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 165.2 | 36.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 107 | G | 57.2 | Low | 66.1 | Low | 22 Ų | 22 | 118.7 Ų | 118.7 | 23% | 0.227 | 68% | 0.675 | C | S | . | * | trans | -86.4 | 153.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A109 A110 | G107-A109 PolarHBondContact O-N 3.27Å; G107-A110 WeakPolarHBondContact O-CB 3.37Å; G107-A110 PolarHBondContact O-N 2.97Å | ||
| 108 | A | 53.4 | Low | 66.8 | Low | 125 Ų | 125 | 118.8 Ų | 118.8 | 100% | 1.033 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -7.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 109 | A | 55.4 | Low | 67.6 | Low | 103 Ų | 103 | 116.5 Ų | 116.5 | 85% | 0.851 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 9.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G107 G111 | G107-A109 PolarHBondContact O-N 3.27Å; A109-G111 PolarHBondContact O-N 3.34Å; A109-G111 VanDerWaalsContact O-N 3.13Å |
| 110 | A | 55.3 | Low | 68.2 | Low | 50 Ų | 50 | 114 Ų | 114 | 41% | 0.413 | 64% | 0.638 | S | S | . | * | trans | -79.7 | 98 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | G107 | G107-A110 WeakPolarHBondContact O-CB 3.37Å; G107-A110 PolarHBondContact O-N 2.97Å | ||
| 111 | G | 57.7 | Low | 68.9 | Low | 58 Ų | 58 | 115.7 Ų | 115.7 | 60% | 0.598 | 65% | 0.646 | S | S | * | * | trans | -45.3 | 149 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A109 K113 | A109-G111 PolarHBondContact O-N 3.34Å; A109-G111 VanDerWaalsContact O-N 3.13Å; G111-K113 PolarHBondContact O-N 3.24Å | ||
| 112 | K | 59.6 | Low | 69.8 | Low | 218 Ų | 218 | 112.3 Ų | 112.3 | 95% | 0.948 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -46.1 | 54.4 | -172.6 | -142.9 | 172.1 | -172 | -174.9 | 0 | 116.5 | ||
| 113 | K | 65.8 | Low | 71.1 | Confident | 160 Ų | 160 | 109.1 Ų | 109.1 | 70% | 0.696 | 62% | 0.615 | S | S | * | * | trans | -100.5 | 118.1 | 170.1 | 65.7 | -173.2 | 176.7 | -177.9 | 0 | 108.7 | G111 R115 | G111-K113 PolarHBondContact O-N 3.24Å; K113-R115 PolarHBondContact O-N 3.38Å; K113-R115 VanDerWaalsContact O-N 3.17Å | ||
| 114 | N | 65.1 | Low | 72.3 | Confident | 145 Ų | 145 | 107.3 Ų | 107.3 | 78% | 0.775 | 60% | 0.597 | S | S | * | * | trans | -56.9 | 119.5 | -174.1 | -60.5 | -56.2 | 0 | 0 | 0 | 110.5 | T116 | N114-T116 PolarHBondContact O-N 3.33Å; N114-T116 PolarHBondContact O-OG1 3.19Å | ||
| 115 | R | 73.7 | Confident | 74 | Confident | 159 Ų | 159 | 108 Ų | 108 | 60% | 0.6 | 60% | 0.598 | S | S | * | * | trans | -54.3 | 109.5 | 169.8 | 178.2 | 178 | 172.4 | -141 | -3 | 108.4 | K113 W117 | K113-R115 PolarHBondContact O-N 3.38Å; K113-R115 VanDerWaalsContact O-N 3.17Å; R115-W117 VanDerWaalsContact CZ-CZ2 3.47Å; R115-W117 VanDerWaalsContact NH1-CZ2 3.29Å | ||
| 116 | T | 80.3 | Confident | 75.6 | Confident | 104 Ų | 104 | 105.8 Ų | 105.8 | 64% | 0.638 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 120.7 | 176.9 | -55.4 | 0 | 0 | 0 | 0 | 108.6 | N114 K118 | N114-T116 PolarHBondContact O-N 3.33Å; N114-T116 PolarHBondContact O-OG1 3.19Å; T116-K118 PolarHBondContact O-N 3.07Å |
| 117 | W | 85.3 | Confident | 77.1 | Confident | 197 Ų | 197 | 104 Ų | 104 | 75% | 0.746 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 122.5 | 175.8 | -63.8 | 79.8 | 0 | 0 | 0 | 109.4 | R115 | R115-W117 VanDerWaalsContact CZ-CZ2 3.47Å; R115-W117 VanDerWaalsContact NH1-CZ2 3.29Å |
| 118 | K | 90.4 | Very high | 78.5 | Confident | 119 Ų | 119 | 113.4 Ų | 113.4 | 52% | 0.517 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -79.8 | 139.9 | 175.3 | -62.2 | -62.3 | -176.3 | 179.2 | 0 | 109.7 | T116 Q122 I123 | T116-K118 PolarHBondContact O-N 3.07Å; K118-Q122 HydrophobicContact CB-CB 4.39Å; K118-I123 HydrophobicContact CB-CD1 4.29Å; K118-I123 HydrophobicContact CB-CG1 3.81Å |
| 119 | N | 93.6 | Very high | 80.2 | Confident | 104 Ų | 104 | 112.8 Ų | 112.8 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 155.9 | 173 | -177 | -95.7 | 0 | 0 | 0 | 110.5 | K121 Q122 I123 | N119-K121 PolarHBondContact O-N 2.87Å; N119-K121 VanDerWaalsContact O-N 3.16Å; N119-K121 PolarHBondContact OD1-N 3.15Å; N119-K121 VanDerWaalsContact OD1-N 3.08Å; N119-Q122 VanDerWaalsContact N-OE1 3.12Å; N119-Q122 WeakPolarHBondContact O-CA 3.37Å; N119-Q122 WeakPolarHBondContact O-CB 3.32Å; N119-Q122 PolarHBondContact O-N 3.22Å; N119-I123 PolarHBondContact O-N 2.98Å |
| 120 | L | 90.9 | Very high | 81.5 | Confident | 78 Ų | 78 | 112 Ų | 112 | 41% | 0.408 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -47.7 | -45.4 | 176.2 | 176.8 | 56.3 | 0 | 0 | 0 | 112.6 | Q122 I123 L124 Y139 | L120-Q122 VanDerWaalsContact C-N 3.28Å; L120-Q122 PolarHBondContact O-N 2.89Å; L120-I123 PolarHBondContact O-N 3.24Å; L120-L124 HydrophobicContact CD1-CD1 3.96Å; L120-L124 HydrophobicContact CD1-CD2 4.38Å; L120-L124 HydrophobicContact CD1-CG 3.9Å; L120-L124 HydrophobicContact CG-CD1 3.99Å; L120-L124 HydrophobicContact CG-CG 4.36Å; L120-L124 WeakPolarHBondContact O-CG 3.36Å; L120-L124 PolarHBondContact O-N 3.39Å; L120-Y139 HydrophobicContact CD1-CD1 3.29Å; L120-Y139 HydrophobicContact CD1-CE1 3.11Å; L120-Y139 HydrophobicContact CD1-CG 4.13Å; L120-Y139 HydrophobicContact CD2-CE1 4.38Å; L120-Y139 HydrophobicContact CG-CE1 4.35Å |
| 121 | K | 93.4 | Very high | 82.9 | Confident | 165 Ų | 165 | 115.8 Ų | 115.8 | 72% | 0.717 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.3 | -36.8 | 179.4 | -172.6 | 177.8 | 179.8 | -178 | 0 | 112.8 | N119 A125 | N119-K121 PolarHBondContact O-N 2.87Å; N119-K121 VanDerWaalsContact O-N 3.16Å; N119-K121 PolarHBondContact OD1-N 3.15Å; N119-K121 VanDerWaalsContact OD1-N 3.08Å; K121-A125 WeakPolarHBondContact O-CB 3.41Å; K121-A125 PolarHBondContact O-N 3.36Å; K121-A125 VanDerWaalsContact O-N 3.09Å |
| 122 | Q | 93.2 | Very high | 84.1 | Confident | 96 Ų | 96 | 118.9 Ų | 118.9 | 45% | 0.449 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.6 | -39.2 | 178.2 | -66.2 | 175.4 | -33.1 | 0 | 0 | 111.2 | K118 N119 L120 A125 L126 | K118-Q122 HydrophobicContact CB-CB 4.39Å; N119-Q122 VanDerWaalsContact N-OE1 3.12Å; N119-Q122 WeakPolarHBondContact O-CA 3.37Å; N119-Q122 WeakPolarHBondContact O-CB 3.32Å; N119-Q122 PolarHBondContact O-N 3.22Å; L120-Q122 VanDerWaalsContact C-N 3.28Å; L120-Q122 PolarHBondContact O-N 2.89Å; Q122-A125 PolarHBondContact O-N 3.06Å; Q122-L126 WeakPolarHBondContact O-CB 3.43Å; Q122-L126 VanDerWaalsContact O-CG 3.24Å; Q122-L126 WeakPolarHBondContact O-CG 3.16Å; Q122-L126 PolarHBondContact O-N 2.74Å |
| 123 | I | 89.8 | Confident | 85.2 | Confident | 51 Ų | 51 | 115.7 Ų | 115.7 | 26% | 0.262 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.9 | -53.1 | 175.7 | -65.5 | 167.6 | 0 | 0 | 0 | 109.5 | K118 N119 L120 A125 L126 E127 | K118-I123 HydrophobicContact CB-CD1 4.29Å; K118-I123 HydrophobicContact CB-CG1 3.81Å; N119-I123 PolarHBondContact O-N 2.98Å; L120-I123 PolarHBondContact O-N 3.24Å; I123-A125 VanDerWaalsContact C-N 3.29Å; I123-A125 PolarHBondContact O-N 3.06Å; I123-L126 PolarHBondContact O-N 2.98Å; I123-L126 VanDerWaalsContact O-N 3.15Å; I123-E127 HydrophobicContact CG2-CG 4.24Å; I123-E127 WeakPolarHBondContact CG2-OE1 3.48Å; I123-E127 WeakPolarHBondContact O-CB 3.37Å; I123-E127 VanDerWaalsContact O-CG 3.3Å; I123-E127 WeakPolarHBondContact O-CG 3.33Å; I123-E127 PolarHBondContact O-N 3.25Å |
| 124 | L | 90.9 | Very high | 85.8 | Confident | 57 Ų | 57 | 116.6 Ų | 116.6 | 30% | 0.298 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.5 | -38.2 | 178.5 | -66.3 | 175 | 0 | 0 | 0 | 112.6 | L120 R128 Y139 | L120-L124 HydrophobicContact CD1-CD1 3.96Å; L120-L124 HydrophobicContact CD1-CD2 4.38Å; L120-L124 HydrophobicContact CD1-CG 3.9Å; L120-L124 HydrophobicContact CG-CD1 3.99Å; L120-L124 HydrophobicContact CG-CG 4.36Å; L120-L124 WeakPolarHBondContact O-CG 3.36Å; L120-L124 PolarHBondContact O-N 3.39Å; L124-R128 VanDerWaalsContact O-CG 3.22Å; L124-R128 WeakPolarHBondContact O-CG 3.45Å; L124-R128 PolarHBondContact O-N 3.43Å; L124-Y139 HydrophobicContact CD2-CD1 4.39Å |
| 125 | A | 90.7 | Very high | 86.6 | Confident | 55 Ų | 55 | 114.4 Ų | 114.4 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.4 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | K121 Q122 I123 R128 | K121-A125 WeakPolarHBondContact O-CB 3.41Å; K121-A125 PolarHBondContact O-N 3.36Å; K121-A125 VanDerWaalsContact O-N 3.09Å; Q122-A125 PolarHBondContact O-N 3.06Å; I123-A125 VanDerWaalsContact C-N 3.29Å; I123-A125 PolarHBondContact O-N 3.06Å; A125-R128 PolarHBondContact O-N 2.94Å |
| 126 | L | 89.2 | Confident | 87.1 | Confident | 90 Ų | 90 | 109.2 Ų | 109.2 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 177.6 | -72.1 | 168.5 | 0 | 0 | 0 | 111 | Q122 I123 R128 T129 L130 | Q122-L126 WeakPolarHBondContact O-CB 3.43Å; Q122-L126 VanDerWaalsContact O-CG 3.24Å; Q122-L126 WeakPolarHBondContact O-CG 3.16Å; Q122-L126 PolarHBondContact O-N 2.74Å; I123-L126 PolarHBondContact O-N 2.98Å; I123-L126 VanDerWaalsContact O-N 3.15Å; L126-R128 VanDerWaalsContact C-N 3.27Å; L126-R128 PolarHBondContact O-N 3.42Å; L126-T129 PolarHBondContact O-N 3.39Å; L126-T129 PolarHBondContact O-OG1 3Å; L126-L130 WeakPolarHBondContact O-CD1 3.37Å; L126-L130 PolarHBondContact O-N 3.1Å |
| 127 | E | 88.2 | Confident | 87.3 | Confident | 29 Ų | 29 | 109.4 Ų | 109.4 | 14% | 0.136 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -56 | -40.5 | 178.7 | -75.8 | 177.7 | 171.5 | 0 | 0 | 112 | I123 T129 L130 W132 N138 Y139 | I123-E127 HydrophobicContact CG2-CG 4.24Å; I123-E127 WeakPolarHBondContact CG2-OE1 3.48Å; I123-E127 WeakPolarHBondContact O-CB 3.37Å; I123-E127 VanDerWaalsContact O-CG 3.3Å; I123-E127 WeakPolarHBondContact O-CG 3.33Å; I123-E127 PolarHBondContact O-N 3.25Å; E127-T129 PolarHBondContact O-N 3.42Å; E127-L130 PolarHBondContact O-N 2.91Å; E127-W132 PolarHBondContact O-NE1 3.25Å; E127-N138 VanDerWaalsContact CB-OD1 3.27Å; E127-N138 WeakPolarHBondContact CB-OD1 3.22Å; E127-N138 WeakPolarHBondContact CG-OD1 3.22Å; E127-N138 PolarHBondContact OE1-OD1 2.89Å; E127-N138 VanDerWaalsContact OE2-CG 3.25Å; E127-N138 PolarHBondContact OE2-ND2 3.23Å; E127-N138 VanDerWaalsContact OE2-ND2 3.07Å; E127-N138 PolarHBondContact OE2-OD1 3.29Å; E127-Y139 WeakPolarHBondContact OE1-CB 3.39Å; E127-Y139 PolarHBondContact OE1-N 3.22Å; E127-Y139 WeakPolarHBondContact OE2-CB 3.29Å; E127-Y139 PolarHBondContact OE2-N 3.16Å |
| 128 | R | 87.2 | Confident | 87.5 | Confident | 218 Ų | 218 | 101.4 Ų | 101.4 | 82% | 0.823 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -23.2 | 177.1 | -71.7 | 173.2 | 68.1 | 75.8 | 6.1 | 114.7 | L124 A125 L126 | L124-R128 VanDerWaalsContact O-CG 3.22Å; L124-R128 WeakPolarHBondContact O-CG 3.45Å; L124-R128 PolarHBondContact O-N 3.43Å; A125-R128 PolarHBondContact O-N 2.94Å; L126-R128 VanDerWaalsContact C-N 3.27Å; L126-R128 PolarHBondContact O-N 3.42Å |
| 129 | T | 88 | Confident | 87.4 | Confident | 113 Ų | 113 | 101.4 Ų | 101.4 | 69% | 0.693 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -94.8 | -14 | -176.8 | 60 | 0 | 0 | 0 | 0 | 113.5 | L126 E127 | L126-T129 PolarHBondContact O-N 3.39Å; L126-T129 PolarHBondContact O-OG1 3Å; E127-T129 PolarHBondContact O-N 3.42Å |
| 130 | L | 84.3 | Confident | 87 | Confident | 87 Ų | 87 | 105.6 Ų | 105.6 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -84.5 | 144.2 | 179.1 | -80.1 | 146.8 | 0 | 0 | 0 | 109.8 | L126 E127 W132 | L126-L130 WeakPolarHBondContact O-CD1 3.37Å; L126-L130 PolarHBondContact O-N 3.1Å; E127-L130 PolarHBondContact O-N 2.91Å; L130-W132 HydrophobicContact CB-CG 4.37Å; L130-W132 VanDerWaalsContact CB-NE1 3.26Å; L130-W132 HydrophobicContact CD1-CZ2 4.04Å; L130-W132 PolarHBondContact O-N 2.86Å |
| 131 | P | 84.3 | Confident | 86.8 | Confident | 128 Ų | 128 | 106.7 Ų | 106.7 | 83% | 0.831 | 53% | 0.534 | S | S | * | . | trans | -77.4 | 64.5 | 179 | 33.8 | -36.2 | 0 | 0 | 0 | 111.2 | ||||
| 132 | W | 82.2 | Confident | 86.5 | Confident | 124 Ų | 124 | 103.8 Ų | 103.8 | 47% | 0.47 | 53% | 0.526 | S | S | . | . | trans | -71.7 | 143.9 | 176.3 | -63.5 | 106.5 | 0 | 0 | 0 | 111.6 | E127 L130 D136 | E127-W132 PolarHBondContact O-NE1 3.25Å; L130-W132 HydrophobicContact CB-CG 4.37Å; L130-W132 VanDerWaalsContact CB-NE1 3.26Å; L130-W132 HydrophobicContact CD1-CZ2 4.04Å; L130-W132 PolarHBondContact O-N 2.86Å; W132-D136 HydrophobicContact CE3-CB 3.73Å; W132-D136 HydrophobicContact CZ3-CB 4.4Å | ||
| 133 | K | 82.1 | Confident | 86.3 | Confident | 150 Ų | 150 | 106.4 Ų | 106.4 | 65% | 0.652 | 54% | 0.543 | S | S | * | . | trans | -79.6 | 153.6 | 166.1 | -58.5 | 174.2 | -177.1 | 173.3 | 0 | 108.7 | S135 D136 | K133-S135 PolarHBondContact O-N 3.47Å; K133-S135 VanDerWaalsContact O-N 3.14Å; K133-D136 WeakPolarHBondContact CB-OD2 3.48Å; K133-D136 PolarHBondContact N-OD2 2.97Å; K133-D136 WeakPolarHBondContact O-CB 3.36Å; K133-D136 PolarHBondContact O-N 3.22Å | ||
| 134 | L | 78.6 | Confident | 86.2 | Confident | 180 Ų | 180 | 107.5 Ų | 107.5 | 94% | 0.942 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -21.7 | 177.8 | -63.5 | 170.4 | 0 | 0 | 0 | 113.2 | D136 | L134-D136 VanDerWaalsContact C-N 3.33Š|
| 135 | S | 81.9 | Confident | 86.2 | Confident | 98 Ų | 98 | 110.1 Ų | 110.1 | 69% | 0.685 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -17.6 | 174.5 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | K133 | K133-S135 PolarHBondContact O-N 3.47Å; K133-S135 VanDerWaalsContact O-N 3.14Å |
| 136 | D | 85.3 | Confident | 86.2 | Confident | 51 Ų | 51 | 112.9 Ų | 112.9 | 27% | 0.273 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -78.9 | 132.2 | -172.5 | -59.8 | -22 | 0 | 0 | 0 | 109.4 | W132 K133 L134 N138 | W132-D136 HydrophobicContact CE3-CB 3.73Å; W132-D136 HydrophobicContact CZ3-CB 4.4Å; K133-D136 WeakPolarHBondContact CB-OD2 3.48Å; K133-D136 PolarHBondContact N-OD2 2.97Å; K133-D136 WeakPolarHBondContact O-CB 3.36Å; K133-D136 PolarHBondContact O-N 3.22Å; L134-D136 VanDerWaalsContact C-N 3.33Å; D136-N138 PolarHBondContact O-N 3.26Å |
| 137 | P | 84.9 | Confident | 86.4 | Confident | 108 Ų | 108 | 113.2 Ų | 113.2 | 70% | 0.701 | 60% | 0.603 | S | S | * | * | trans | -68.1 | 117.3 | -179.4 | 26.7 | -32.8 | 0 | 0 | 0 | 109.8 | ||||
| 138 | N | 88.7 | Confident | 86.7 | Confident | 28 Ų | 28 | 120 Ų | 120 | 15% | 0.15 | 64% | 0.639 | C | S | . | * | trans | -111.5 | 154.9 | 178.5 | -158 | 45.9 | 0 | 0 | 0 | 110.5 | E127 D136 Y140 N141 I142 | E127-N138 VanDerWaalsContact CB-OD1 3.27Å; E127-N138 WeakPolarHBondContact CB-OD1 3.22Å; E127-N138 WeakPolarHBondContact CG-OD1 3.22Å; E127-N138 PolarHBondContact OE1-OD1 2.89Å; E127-N138 VanDerWaalsContact OE2-CG 3.25Å; E127-N138 PolarHBondContact OE2-ND2 3.23Å; E127-N138 VanDerWaalsContact OE2-ND2 3.07Å; E127-N138 PolarHBondContact OE2-OD1 3.29Å; D136-N138 PolarHBondContact O-N 3.26Å; N138-Y140 PolarHBondContact O-N 3.38Å; N138-N141 PolarHBondContact O-N 2.88Å; N138-I142 PolarHBondContact O-N 3.38Å | ||
| 139 | Y | 87.4 | Confident | 87 | Confident | 120 Ų | 120 | 118 Ų | 118 | 47% | 0.471 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.6 | -27.6 | -177.2 | -161.7 | -83.7 | 0 | 0 | 0 | 113.2 | L120 L124 E127 I142 | L120-Y139 HydrophobicContact CD1-CD1 3.29Å; L120-Y139 HydrophobicContact CD1-CE1 3.11Å; L120-Y139 HydrophobicContact CD1-CG 4.13Å; L120-Y139 HydrophobicContact CD2-CE1 4.38Å; L120-Y139 HydrophobicContact CG-CE1 4.35Å; L124-Y139 HydrophobicContact CD2-CD1 4.39Å; E127-Y139 WeakPolarHBondContact OE1-CB 3.39Å; E127-Y139 PolarHBondContact OE1-N 3.22Å; E127-Y139 WeakPolarHBondContact OE2-CB 3.29Å; E127-Y139 PolarHBondContact OE2-N 3.16Å; Y139-I142 HydrophobicContact CD2-CD1 4.07Å; Y139-I142 HydrophobicContact CE2-CD1 4.33Å; Y139-I142 HydrophobicContact CG-CD1 4.36Å; Y139-I142 WeakPolarHBondContact O-CG1 3.45Å |
| 140 | Y | 85.9 | Confident | 87.2 | Confident | 191 Ų | 191 | 118.6 Ų | 118.6 | 75% | 0.749 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -27.7 | 175.3 | -175.8 | -106 | 0 | 0 | 0 | 114.2 | N138 | N138-Y140 PolarHBondContact O-N 3.38Š|
| 141 | N | 86.8 | Confident | 87.6 | Confident | 101 Ų | 101 | 118.7 Ų | 118.7 | 54% | 0.54 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.2 | -5.4 | -171.1 | -63.9 | -17.9 | 0 | 0 | 0 | 113.1 | N138 D143 | N138-N141 PolarHBondContact O-N 2.88Å; N141-D143 PolarHBondContact O-N 3.09Å; N141-D143 VanDerWaalsContact O-N 3.15Å |
| 142 | I | 86.8 | Confident | 88.1 | Confident | 105 Ų | 105 | 120.6 Ų | 120.6 | 54% | 0.538 | 65% | 0.651 | S | S | . | * | trans | -81.7 | 87.4 | 176.7 | 51.8 | 162.1 | 0 | 0 | 0 | 110.1 | N138 Y139 | N138-I142 PolarHBondContact O-N 3.38Å; Y139-I142 HydrophobicContact CD2-CD1 4.07Å; Y139-I142 HydrophobicContact CE2-CD1 4.33Å; Y139-I142 HydrophobicContact CG-CD1 4.36Å; Y139-I142 WeakPolarHBondContact O-CG1 3.45Å | ||
| 143 | D | 88.8 | Confident | 88.7 | Confident | 150 Ų | 150 | 120 Ų | 120 | 80% | 0.802 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 150.5 | 168.1 | -160.7 | 8.8 | 0 | 0 | 0 | 110.9 | N141 | N141-D143 PolarHBondContact O-N 3.09Å; N141-D143 VanDerWaalsContact O-N 3.15Å |
| 144 | A | 88.9 | Confident | 89.4 | Confident | 75 Ų | 75 | 118.1 Ų | 118.1 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 141.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 145 | P | 89.7 | Confident | 90.2 | Very high | 111 Ų | 111 | 109.8 Ų | 109.8 | 72% | 0.721 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 153.7 | 173.8 | 28.3 | -34.7 | 0 | 0 | 0 | 110.4 | ||
| 146 | P | 91.8 | Very high | 90.9 | Very high | 114 Ų | 114 | 106.6 Ų | 106.6 | 74% | 0.74 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 148.1 | 176.6 | 27 | -35.1 | 0 | 0 | 0 | 111.2 | L148 | P146-L148 PolarHBondContact O-N 2.66Š|
| 147 | S | 92.6 | Very high | 91.3 | Very high | 97 Ų | 97 | 106.7 Ų | 106.7 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 126 | 178.2 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | K149 | S147-K149 PolarHBondContact OG-N 2.68Å; S147-K149 PolarHBondContact OG-O 2.75Å |
| 148 | L | 93.8 | Very high | 91.8 | Very high | 170 Ų | 170 | 104.2 Ų | 104.2 | 89% | 0.89 | 56% | 0.559 | S | S | * | * | trans | -83.6 | -11.5 | 171.8 | -59.9 | 179.6 | 0 | 0 | 0 | 113.3 | P146 | P146-L148 PolarHBondContact O-N 2.66Š| ||
| 149 | K | 93.8 | Very high | 92.2 | Very high | 176 Ų | 176 | 105 Ų | 105 | 77% | 0.765 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -77.8 | 132.8 | 178.6 | -67.1 | 179.6 | -179.1 | 175.1 | 0 | 109.7 | S147 A151 | S147-K149 PolarHBondContact OG-N 2.68Å; S147-K149 PolarHBondContact OG-O 2.75Å; K149-A151 PolarHBondContact O-N 3.01Å |
| 150 | P | 93.4 | Very high | 92.6 | Very high | 126 Ų | 126 | 104 Ų | 104 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 135 | 175.8 | 25.9 | -33.1 | 0 | 0 | 0 | 110.1 | ||
| 151 | A | 92 | Very high | 93.1 | Very high | 90 Ų | 90 | 98.8 Ų | 98.8 | 74% | 0.744 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 133.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K149 | K149-A151 PolarHBondContact O-N 3.01Š|
| 152 | K | 94.3 | Very high | 93.6 | Very high | 167 Ų | 167 | 94.3 Ų | 94.3 | 73% | 0.726 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 141.6 | 170.2 | -68 | -177.8 | -179.3 | 179.9 | 0 | 109.9 | Y154 | K152-Y154 HydrophobicContact CB-CE2 3.8Š|
| 153 | K | 95.4 | Very high | 94 | Very high | 112 Ų | 112 | 95.7 Ų | 95.7 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | trans | -106.4 | 134.4 | -178 | -66.3 | -175.6 | -174.6 | 174.2 | 0 | 109.6 | A162 | K153-A162 PolarHBondContact O-N 3.34Š| ||
| 154 | Y | 96.6 | Very high | 94.3 | Very high | 111 Ų | 111 | 95.3 Ų | 95.3 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | B | Isolated β-bridge | trans | -124.7 | 153.3 | 178.1 | -60.8 | -84.1 | 0 | 0 | 0 | 109.4 | K152 G159 L160 P161 A162 R172 | K152-Y154 HydrophobicContact CB-CE2 3.8Å; Y154-G159 VanDerWaalsContact CD1-O 3.31Å; Y154-G159 WeakPolarHBondContact CD1-O 3.38Å; Y154-L160 CarbonylContact C-O 3.53Å; Y154-L160 WeakPolarHBondContact CA-O 3.35Å; Y154-P161 HydrophobicContact CE1-CG 4.38Å; Y154-A162 VanDerWaalsContact C-CB 3.47Å; Y154-R172 VanDerWaalsContact O-CB 3.29Å; Y154-R172 WeakPolarHBondContact O-CB 3.22Å; Y154-R172 WeakPolarHBondContact O-CD 3.46Å |
| 155 | S | 96.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 94.7 Ų | 94.7 | 4% | 0.035 | 53% | 0.528 | C | S | . | . | trans | -64.4 | 137.9 | 175.1 | 173.6 | 0 | 0 | 0 | 0 | 109.1 | I157 S158 G159 L160 R172 E178 | S155-I157 PolarHBondContact O-N 3.38Å; S155-I157 PolarHBondContact OG-N 3.16Å; S155-S158 WeakPolarHBondContact CB-OG 3.4Å; S155-S158 PolarHBondContact OG-N 2.86Å; S155-S158 PolarHBondContact OG-OG 3.41Å; S155-G159 VanDerWaalsContact O-CA 3.31Å; S155-G159 WeakPolarHBondContact O-CA 3.4Å; S155-G159 PolarHBondContact O-N 3.26Å; S155-G159 VanDerWaalsContact O-N 3.11Å; S155-L160 PolarHBondContact N-O 3.28Å; S155-R172 WeakPolarHBondContact CA-O 3.41Å; S155-R172 PolarHBondContact OG-O 3.44Å; S155-E178 PolarHBondContact OG-OE2 3.47Å | ||
| 156 | D | 95.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 89.4 Ų | 89.4 | 16% | 0.16 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -12.9 | 178.5 | -59.2 | -49.4 | 0 | 0 | 0 | 111.9 | L171 R172 Y193 R197 | D156-L171 HydrophobicContact CB-CD2 4.1Å; D156-L171 VanDerWaalsContact OD2-CA 3.29Å; D156-L171 WeakPolarHBondContact OD2-CA 3.05Å; D156-R172 PolarHBondContact N-O 3.42Å; D156-R172 PolarHBondContact OD2-N 3.32Å; D156-Y193 WeakPolarHBondContact O-CD1 3.24Å; D156-R197 IonicContact OD1-CZ 2.54Å; D156-R197 IonicContact OD1-NE 3.87Å; D156-R197 IonicContact OD1-NH1 3.52Å; D156-R197 PolarHBondContact OD1-NH1 3.14Å; D156-R197 IonicContact OD2-CZ 3.3Å; D156-R197 IonicContact OD2-NH1 3.54Å; D156-R197 PolarHBondContact OD2-NH1 3.37Å; D156-R197 IonicContact OD2-NH2 3.58Å |
| 157 | I | 94.9 | Very high | 94.8 | Very high | 53 Ų | 53 | 88.8 Ų | 88.8 | 27% | 0.272 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -57.9 | -179.9 | -54.3 | -57 | 0 | 0 | 0 | 111 | S155 E178 Y181 I182 L185 Y193 | S155-I157 PolarHBondContact O-N 3.38Å; S155-I157 PolarHBondContact OG-N 3.16Å; I157-E178 HydrophobicContact CB-CG 4.45Å; I157-Y181 HydrophobicContact CD1-CD1 4.34Å; I157-Y181 HydrophobicContact CD1-CE1 4.18Å; I157-Y181 HydrophobicContact CG1-CD1 4.48Å; I157-Y181 HydrophobicContact CG2-CD1 4.38Å; I157-Y181 HydrophobicContact CG2-CE1 4.43Å; I157-I182 HydrophobicContact CG1-CD1 4.43Å; I157-I182 HydrophobicContact CG1-CG1 4.27Å; I157-L185 HydrophobicContact CD1-CD1 4.21Å; I157-Y193 HydrophobicContact CD1-CD2 4.24Å; I157-Y193 HydrophobicContact CD1-CE1 4.21Å; I157-Y193 HydrophobicContact CD1-CE2 3.74Å |
| 158 | S | 95.3 | Very high | 94.8 | Very high | 56 Ų | 56 | 90.9 Ų | 90.9 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -17.9 | -174.9 | 59.6 | 0 | 0 | 0 | 0 | 114.9 | S155 L160 E178 | S155-S158 WeakPolarHBondContact CB-OG 3.4Å; S155-S158 PolarHBondContact OG-N 2.86Å; S155-S158 PolarHBondContact OG-OG 3.41Å; S158-L160 PolarHBondContact O-N 3.47Å; S158-L160 PolarHBondContact OG-N 3.45Å; S158-E178 WeakPolarHBondContact CB-OE1 3.38Å; S158-E178 PolarHBondContact OG-OE1 2.85Å |
| 159 | G | 95.5 | Very high | 94.8 | Very high | 45 Ų | 45 | 83.8 Ų | 83.8 | 46% | 0.464 | 45% | 0.452 | S | S | . | . | trans | 73.4 | 4.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y154 S155 | Y154-G159 VanDerWaalsContact CD1-O 3.31Å; Y154-G159 WeakPolarHBondContact CD1-O 3.38Å; S155-G159 VanDerWaalsContact O-CA 3.31Å; S155-G159 WeakPolarHBondContact O-CA 3.4Å; S155-G159 PolarHBondContact O-N 3.26Å; S155-G159 VanDerWaalsContact O-N 3.11Å | ||
| 160 | L | 96.7 | Very high | 94.8 | Very high | 98 Ų | 98 | 80.6 Ų | 80.6 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -72.2 | 159.9 | 173.5 | -65.4 | 179.6 | 0 | 0 | 0 | 111.5 | Y154 S155 S158 A162 T174 | Y154-L160 CarbonylContact C-O 3.53Å; Y154-L160 WeakPolarHBondContact CA-O 3.35Å; S155-L160 PolarHBondContact N-O 3.28Å; S158-L160 PolarHBondContact O-N 3.47Å; S158-L160 PolarHBondContact OG-N 3.45Å; L160-A162 PolarHBondContact O-N 3.44Å; L160-T174 HydrophobicContact CB-CG2 4.42Å |
| 161 | P | 97 | Very high | 94.9 | Very high | 83 Ų | 83 | 74.6 Ų | 74.6 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -55 | 123.6 | 174.2 | -24.8 | 34.7 | 0 | 0 | 0 | 111.2 | Y154 T174 | Y154-P161 HydrophobicContact CE1-CG 4.38Å; P161-T174 WeakPolarHBondContact O-CG2 3.08Å; P161-T174 PolarHBondContact O-OG1 3.24Å |
| 162 | A | 96.3 | Very high | 95.1 | Very high | 7 Ų | 7 | 73 Ų | 73 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | trans | -105.9 | 122.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K153 Y154 L160 R172 F173 | K153-A162 PolarHBondContact O-N 3.34Å; Y154-A162 VanDerWaalsContact C-CB 3.47Å; L160-A162 PolarHBondContact O-N 3.44Å; A162-R172 HydrophobicContact CB-CB 3.84Å; A162-F173 WeakPolarHBondContact CB-O 3.39Å | ||
| 163 | N | 94.9 | Very high | 95.2 | Very high | 134 Ų | 134 | 66.3 Ų | 66.3 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | trans | -89.4 | -20.2 | 175.1 | -64.6 | -23.4 | 0 | 0 | 0 | 111.9 | ||||
| 164 | Y | 95.3 | Very high | 95.3 | Very high | 142 Ų | 142 | 63.4 Ų | 63.4 | 56% | 0.557 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 158.2 | -171 | -57.5 | -70.1 | 0 | 0 | 0 | 112.7 | R172 F173 | Y164-R172 WeakPolarHBondContact O-CA 3.29Å; Y164-F173 VanDerWaalsContact CB-CZ 3.46Å; Y164-F173 HydrophobicContact CD2-CE2 4.27Å; Y164-F173 HydrophobicContact CG-CE2 4.26Å; Y164-F173 HydrophobicContact CG-CZ 4.27Å; Y164-F173 PolarHBondContact O-N 3.39Å |
| 165 | T | 95.8 | Very high | 95.3 | Very high | 61 Ų | 61 | 60.1 Ų | 60.1 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 130.4 | 176.4 | -55.5 | 0 | 0 | 0 | 0 | 108.3 | L171 R172 | T165-L171 CarbonylContact C-O 3.45Å; T165-L171 WeakPolarHBondContact CA-O 3.32Å; T165-R172 HydrophobicContact CG2-CG 4.35Å |
| 166 | D | 94.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | trans | -70.8 | 125.3 | 177.6 | 169.5 | 8.6 | 0 | 0 | 0 | 110.2 | Q168 T169 K170 L171 F173 I182 R183 | D166-Q168 VanDerWaalsContact C-N 3.26Å; D166-Q168 PolarHBondContact O-N 3.18Å; D166-Q168 PolarHBondContact OD1-N 2.76Å; D166-T169 VanDerWaalsContact CG-OG1 3.28Å; D166-T169 WeakPolarHBondContact OD2-CB 3.47Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.27Å; D166-T169 PolarHBondContact OD2-N 2.76Å; D166-T169 PolarHBondContact OD2-OG1 2.98Å; D166-K170 WeakPolarHBondContact O-CA 3.46Å; D166-K170 PolarHBondContact O-N 2.7Å; D166-L171 PolarHBondContact N-O 3.43Å; D166-F173 HydrophobicContact CB-CD1 4.45Å; D166-F173 HydrophobicContact CB-CE1 4.26Å; D166-I182 WeakPolarHBondContact OD2-CG2 3.43Å; D166-R183 IonicContact OD1-CZ 2.66Å; D166-R183 IonicContact OD1-NH1 3.91Å; D166-R183 IonicContact OD1-NH2 2.68Å; D166-R183 PolarHBondContact OD1-NH2 2.56Å; D166-R183 IonicContact OD2-CZ 3.42Å; D166-R183 VanDerWaalsContact OD2-CZ 3.3Å; D166-R183 IonicContact OD2-NE 3.75Å; D166-R183 IonicContact OD2-NH2 2.83Å; D166-R183 PolarHBondContact OD2-NH2 3.27Å | ||
| 167 | P | 92.4 | Very high | 95.3 | Very high | 100 Ų | 100 | 70.5 Ų | 70.5 | 65% | 0.649 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -27.9 | -176.1 | 25.2 | -34.8 | 0 | 0 | 0 | 113.9 | K170 | P167-K170 WeakPolarHBondContact O-CE 3.47Å; P167-K170 PolarHBondContact O-NZ 3.32Å |
| 168 | Q | 91.1 | Very high | 95.4 | Very high | 142 Ų | 142 | 69 Ų | 69 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -45.8 | -174.4 | 161.6 | -178.7 | 4.9 | 0 | 0 | 112.3 | D166 R183 | D166-Q168 VanDerWaalsContact C-N 3.26Å; D166-Q168 PolarHBondContact O-N 3.18Å; D166-Q168 PolarHBondContact OD1-N 2.76Å; Q168-R183 VanDerWaalsContact CB-NH2 3.29Å |
| 169 | T | 93.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 70 Ų | 70 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -16.1 | 177.1 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | D166 L171 I182 V190 L194 | D166-T169 VanDerWaalsContact CG-OG1 3.28Å; D166-T169 WeakPolarHBondContact OD2-CB 3.47Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.27Å; D166-T169 PolarHBondContact OD2-N 2.76Å; D166-T169 PolarHBondContact OD2-OG1 2.98Å; T169-L171 PolarHBondContact O-N 3.44Å; T169-L171 VanDerWaalsContact O-N 3.15Å; T169-L171 WeakPolarHBondContact OG1-CB 3.47Å; T169-L171 PolarHBondContact OG1-N 3.45Å; T169-I182 HydrophobicContact CG2-CG2 3.89Å; T169-I182 WeakPolarHBondContact OG1-CG2 3.34Å; T169-V190 HydrophobicContact CG2-CG1 4.07Å; T169-V190 HydrophobicContact CG2-CG2 3.92Å; T169-L194 WeakPolarHBondContact O-CD1 3.48Å |
| 170 | K | 94.3 | Very high | 95.5 | Very high | 110 Ų | 110 | 71.3 Ų | 71.3 | 48% | 0.478 | 38% | 0.379 | S | S | . | . | trans | 59.8 | 12.4 | -169.3 | -53.9 | -57.3 | -171.2 | -159.2 | 0 | 114.7 | D166 P167 L194 R197 | D166-K170 WeakPolarHBondContact O-CA 3.46Å; D166-K170 PolarHBondContact O-N 2.7Å; P167-K170 WeakPolarHBondContact O-CE 3.47Å; P167-K170 PolarHBondContact O-NZ 3.32Å; K170-L194 HydrophobicContact CB-CD2 4.08Å; K170-R197 PolarHBondContact O-NH2 3.11Å | ||
| 171 | L | 95.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 38% | 0.375 | C | S | . | . | trans | -73.9 | 142.7 | 171.7 | -63.8 | -175.4 | 0 | 0 | 0 | 110.9 | D156 T165 D166 T169 I182 L185 V190 Y193 L194 | D156-L171 HydrophobicContact CB-CD2 4.1Å; D156-L171 VanDerWaalsContact OD2-CA 3.29Å; D156-L171 WeakPolarHBondContact OD2-CA 3.05Å; T165-L171 CarbonylContact C-O 3.45Å; T165-L171 WeakPolarHBondContact CA-O 3.32Å; D166-L171 PolarHBondContact N-O 3.43Å; T169-L171 PolarHBondContact O-N 3.44Å; T169-L171 VanDerWaalsContact O-N 3.15Å; T169-L171 WeakPolarHBondContact OG1-CB 3.47Å; T169-L171 PolarHBondContact OG1-N 3.45Å; L171-I182 HydrophobicContact CB-CD1 4.01Å; L171-I182 HydrophobicContact CB-CG1 4.43Å; L171-I182 HydrophobicContact CB-CG2 4.32Å; L171-I182 HydrophobicContact CD1-CG1 4.1Å; L171-I182 HydrophobicContact CD1-CG2 4.07Å; L171-L185 HydrophobicContact CD1-CD1 4.23Å; L171-V190 HydrophobicContact CD1-CB 4.47Å; L171-V190 HydrophobicContact CD1-CG1 4.28Å; L171-V190 HydrophobicContact CD1-CG2 4.1Å; L171-V190 HydrophobicContact CD2-CG1 4.49Å; L171-V190 HydrophobicContact CG-CG1 4.19Å; L171-Y193 HydrophobicContact CD1-CD2 4.29Å; L171-L194 HydrophobicContact CD2-CD2 3.86Å; L171-L194 HydrophobicContact CD2-CG 3.92Å | ||
| 172 | R | 96.6 | Very high | 95.4 | Very high | 56 Ų | 56 | 67.9 Ų | 67.9 | 21% | 0.211 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 138.7 | 176 | -70.4 | 174.6 | -167.5 | 165.8 | 3.1 | 109 | Y154 S155 D156 A162 Y164 T165 R197 | Y154-R172 VanDerWaalsContact O-CB 3.29Å; Y154-R172 WeakPolarHBondContact O-CB 3.22Å; Y154-R172 WeakPolarHBondContact O-CD 3.46Å; S155-R172 WeakPolarHBondContact CA-O 3.41Å; S155-R172 PolarHBondContact OG-O 3.44Å; D156-R172 PolarHBondContact N-O 3.42Å; D156-R172 PolarHBondContact OD2-N 3.32Å; A162-R172 HydrophobicContact CB-CB 3.84Å; Y164-R172 WeakPolarHBondContact O-CA 3.29Å; T165-R172 HydrophobicContact CG2-CG 4.35Å; R172-R197 VanDerWaalsContact NE-NH1 3.18Å |
| 173 | F | 96.8 | Very high | 95.3 | Very high | 26 Ų | 26 | 71.9 Ų | 71.9 | 11% | 0.114 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 160.6 | -179.2 | 67 | -89.8 | 0 | 0 | 0 | 111.5 | A162 Y164 D166 S175 E178 F179 I182 | A162-F173 WeakPolarHBondContact CB-O 3.39Å; Y164-F173 VanDerWaalsContact CB-CZ 3.46Å; Y164-F173 HydrophobicContact CD2-CE2 4.27Å; Y164-F173 HydrophobicContact CG-CE2 4.26Å; Y164-F173 HydrophobicContact CG-CZ 4.27Å; Y164-F173 PolarHBondContact O-N 3.39Å; D166-F173 HydrophobicContact CB-CD1 4.45Å; D166-F173 HydrophobicContact CB-CE1 4.26Å; F173-S175 VanDerWaalsContact CD2-O 3.32Å; F173-S175 WeakPolarHBondContact CD2-O 3.39Å; F173-E178 VanDerWaalsContact CA-OE2 3.27Å; F173-E178 WeakPolarHBondContact CA-OE2 3.31Å; F173-E178 HydrophobicContact CB-CB 3.9Å; F173-E178 WeakPolarHBondContact CB-OE2 3.31Å; F173-F179 HydrophobicContact CD1-CD2 4.34Å; F173-F179 HydrophobicContact CD2-CB 4.04Å; F173-F179 AromaticContact CE1-CD2 3.76Å; F173-F179 HydrophobicContact CE1-CD2 3.76Å; F173-F179 HydrophobicContact CE2-CB 3.9Å; F173-F179 HydrophobicContact CE2-CD2 4.37Å; F173-F179 HydrophobicContact CE2-CG 4.43Å; F173-F179 HydrophobicContact CG-CB 4.43Å; F173-F179 HydrophobicContact CZ-CB 4.16Å; F173-F179 AromaticContact CZ-CD2 3.77Å; F173-F179 HydrophobicContact CZ-CD2 3.77Å; F173-F179 HydrophobicContact CZ-CG 4.23Å; F173-I182 HydrophobicContact CB-CD1 3.76Å; F173-I182 HydrophobicContact CD1-CD1 4.32Å; F173-I182 HydrophobicContact CG-CD1 4.37Å |
| 174 | T | 97.4 | Very high | 95.4 | Very high | 51 Ų | 51 | 72.3 Ų | 72.3 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -111.9 | -39.8 | -179.3 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | L160 P161 E178 | L160-T174 HydrophobicContact CB-CG2 4.42Å; P161-T174 WeakPolarHBondContact O-CG2 3.08Å; P161-T174 PolarHBondContact O-OG1 3.24Å; T174-E178 PolarHBondContact N-OE2 3.35Å |
| 175 | S | 96.3 | Very high | 95.4 | Very high | 42 Ų | 42 | 66.7 Ų | 66.7 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -114 | 162.6 | -176.2 | 69.3 | 0 | 0 | 0 | 0 | 113 | F173 E177 E178 F179 | F173-S175 VanDerWaalsContact CD2-O 3.32Å; F173-S175 WeakPolarHBondContact CD2-O 3.39Å; S175-E177 VanDerWaalsContact C-N 3.26Å; S175-E177 PolarHBondContact O-N 3.35Å; S175-E178 PolarHBondContact O-N 3.15Å; S175-E178 WeakPolarHBondContact OG-CG 3.27Å; S175-E178 PolarHBondContact OG-N 2.87Å; S175-F179 PolarHBondContact O-N 3.17Å |
| 176 | S | 95.8 | Very high | 95.4 | Very high | 98 Ų | 98 | 67.5 Ų | 67.5 | 69% | 0.685 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.9 | -28.1 | 173.2 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | F179 S180 | S176-F179 PolarHBondContact O-N 3.27Å; S176-S180 PolarHBondContact O-N 2.95Å; S176-S180 PolarHBondContact O-OG 3.14Å; S176-S180 VanDerWaalsContact O-OG 3.06Å |
| 177 | E | 96.1 | Very high | 95.4 | Very high | 156 Ų | 156 | 72.6 Ų | 72.6 | 73% | 0.729 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.5 | -47 | 174.2 | -175.7 | 179.7 | -179 | 0 | 0 | 110.8 | S175 F179 S180 Y181 | S175-E177 VanDerWaalsContact C-N 3.26Å; S175-E177 PolarHBondContact O-N 3.35Å; E177-F179 VanDerWaalsContact C-N 3.3Å; E177-F179 PolarHBondContact O-N 3Å; E177-S180 PolarHBondContact O-N 3.19Å; E177-Y181 PolarHBondContact O-N 2.97Å |
| 178 | E | 96.6 | Very high | 95.4 | Very high | 21 Ų | 21 | 74.3 Ų | 74.3 | 10% | 0.098 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61 | -39.9 | 174.7 | -74.4 | 178.6 | -172.7 | 0 | 0 | 111.7 | S155 I157 S158 F173 T174 S175 S180 Y181 I182 | S155-E178 PolarHBondContact OG-OE2 3.47Å; I157-E178 HydrophobicContact CB-CG 4.45Å; S158-E178 WeakPolarHBondContact CB-OE1 3.38Å; S158-E178 PolarHBondContact OG-OE1 2.85Å; F173-E178 VanDerWaalsContact CA-OE2 3.27Å; F173-E178 WeakPolarHBondContact CA-OE2 3.31Å; F173-E178 HydrophobicContact CB-CB 3.9Å; F173-E178 WeakPolarHBondContact CB-OE2 3.31Å; T174-E178 PolarHBondContact N-OE2 3.35Å; S175-E178 PolarHBondContact O-N 3.15Å; S175-E178 WeakPolarHBondContact OG-CG 3.27Å; S175-E178 PolarHBondContact OG-N 2.87Å; E178-S180 VanDerWaalsContact C-N 3.35Å; E178-S180 PolarHBondContact O-N 3.37Å; E178-Y181 PolarHBondContact O-N 3.3Å; E178-I182 WeakPolarHBondContact O-CB 3.22Å; E178-I182 WeakPolarHBondContact O-CD1 3.37Å; E178-I182 WeakPolarHBondContact O-CG1 3.35Å; E178-I182 PolarHBondContact O-N 3.33Å |
| 179 | F | 96.5 | Very high | 95.6 | Very high | 78 Ų | 78 | 70.4 Ų | 70.4 | 34% | 0.342 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 176.6 | 178.1 | -105.8 | 0 | 0 | 0 | 111.8 | F173 S175 S176 E177 Y181 I182 R183 | F173-F179 HydrophobicContact CD1-CD2 4.34Å; F173-F179 HydrophobicContact CD2-CB 4.04Å; F173-F179 AromaticContact CE1-CD2 3.76Å; F173-F179 HydrophobicContact CE1-CD2 3.76Å; F173-F179 HydrophobicContact CE2-CB 3.9Å; F173-F179 HydrophobicContact CE2-CD2 4.37Å; F173-F179 HydrophobicContact CE2-CG 4.43Å; F173-F179 HydrophobicContact CG-CB 4.43Å; F173-F179 HydrophobicContact CZ-CB 4.16Å; F173-F179 AromaticContact CZ-CD2 3.77Å; F173-F179 HydrophobicContact CZ-CD2 3.77Å; F173-F179 HydrophobicContact CZ-CG 4.23Å; S175-F179 PolarHBondContact O-N 3.17Å; S176-F179 PolarHBondContact O-N 3.27Å; E177-F179 VanDerWaalsContact C-N 3.3Å; E177-F179 PolarHBondContact O-N 3Å; F179-Y181 VanDerWaalsContact C-N 3.32Å; F179-Y181 PolarHBondContact O-N 3.23Å; F179-I182 PolarHBondContact O-N 3.28Å; F179-R183 HydrophobicContact CE1-CG 4.42Å; F179-R183 HydrophobicContact CZ-CG 4.33Å; F179-R183 WeakPolarHBondContact O-CG 3.36Å; F179-R183 PolarHBondContact O-N 3.49Å |
| 180 | S | 96.8 | Very high | 95.7 | Very high | 71 Ų | 71 | 69.9 Ų | 69.9 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | S176 E177 E178 R183 | S176-S180 PolarHBondContact O-N 2.95Å; S176-S180 PolarHBondContact O-OG 3.14Å; S176-S180 VanDerWaalsContact O-OG 3.06Å; E177-S180 PolarHBondContact O-N 3.19Å; E178-S180 VanDerWaalsContact C-N 3.35Å; E178-S180 PolarHBondContact O-N 3.37Å; S180-R183 PolarHBondContact O-N 3.31Å |
| 181 | Y | 96.3 | Very high | 95.8 | Very high | 109 Ų | 109 | 67 Ų | 67 | 43% | 0.427 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 176.7 | 180 | -112.7 | 0 | 0 | 0 | 112.6 | I157 E177 E178 F179 R183 L184 L185 | I157-Y181 HydrophobicContact CD1-CD1 4.34Å; I157-Y181 HydrophobicContact CD1-CE1 4.18Å; I157-Y181 HydrophobicContact CG1-CD1 4.48Å; I157-Y181 HydrophobicContact CG2-CD1 4.38Å; I157-Y181 HydrophobicContact CG2-CE1 4.43Å; E177-Y181 PolarHBondContact O-N 2.97Å; E178-Y181 PolarHBondContact O-N 3.3Å; F179-Y181 VanDerWaalsContact C-N 3.32Å; F179-Y181 PolarHBondContact O-N 3.23Å; Y181-R183 PolarHBondContact O-N 3.4Å; Y181-L184 WeakPolarHBondContact O-CB 3.19Å; Y181-L184 PolarHBondContact O-N 3.09Å; Y181-L185 HydrophobicContact CD1-CD1 4.31Å; Y181-L185 HydrophobicContact CD1-CG 4.38Å; Y181-L185 HydrophobicContact CE1-CD1 4.03Å; Y181-L185 HydrophobicContact CE1-CD2 3.77Å; Y181-L185 HydrophobicContact CE1-CG 4.09Å; Y181-L185 HydrophobicContact CE2-CD2 4.25Å; Y181-L185 PolarHBondContact O-N 3.07Å |
| 182 | I | 96 | Very high | 95.8 | Very high | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.5 | -35.7 | 179.3 | -74 | 163.1 | 0 | 0 | 0 | 111.9 | I157 D166 T169 L171 F173 E178 F179 L184 L185 | I157-I182 HydrophobicContact CG1-CD1 4.43Å; I157-I182 HydrophobicContact CG1-CG1 4.27Å; D166-I182 WeakPolarHBondContact OD2-CG2 3.43Å; T169-I182 HydrophobicContact CG2-CG2 3.89Å; T169-I182 WeakPolarHBondContact OG1-CG2 3.34Å; L171-I182 HydrophobicContact CB-CD1 4.01Å; L171-I182 HydrophobicContact CB-CG1 4.43Å; L171-I182 HydrophobicContact CB-CG2 4.32Å; L171-I182 HydrophobicContact CD1-CG1 4.1Å; L171-I182 HydrophobicContact CD1-CG2 4.07Å; F173-I182 HydrophobicContact CB-CD1 3.76Å; F173-I182 HydrophobicContact CD1-CD1 4.32Å; F173-I182 HydrophobicContact CG-CD1 4.37Å; E178-I182 WeakPolarHBondContact O-CB 3.22Å; E178-I182 WeakPolarHBondContact O-CD1 3.37Å; E178-I182 WeakPolarHBondContact O-CG1 3.35Å; E178-I182 PolarHBondContact O-N 3.33Å; F179-I182 PolarHBondContact O-N 3.28Å; I182-L184 PolarHBondContact O-N 2.88Å; I182-L185 HydrophobicContact CG1-CD1 4.5Å; I182-L185 PolarHBondContact O-N 3.05Å |
| 183 | R | 94.5 | Very high | 95.7 | Very high | 91 Ų | 91 | 69.2 Ų | 69.2 | 34% | 0.343 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.9 | -20.5 | 177.3 | -64.9 | -76.1 | 88.8 | 166.9 | -2.3 | 113.7 | D166 Q168 F179 S180 Y181 | D166-R183 IonicContact OD1-CZ 2.66Å; D166-R183 IonicContact OD1-NH1 3.91Å; D166-R183 IonicContact OD1-NH2 2.68Å; D166-R183 PolarHBondContact OD1-NH2 2.56Å; D166-R183 IonicContact OD2-CZ 3.42Å; D166-R183 VanDerWaalsContact OD2-CZ 3.3Å; D166-R183 IonicContact OD2-NE 3.75Å; D166-R183 IonicContact OD2-NH2 2.83Å; D166-R183 PolarHBondContact OD2-NH2 3.27Å; Q168-R183 VanDerWaalsContact CB-NH2 3.29Å; F179-R183 HydrophobicContact CE1-CG 4.42Å; F179-R183 HydrophobicContact CZ-CG 4.33Å; F179-R183 WeakPolarHBondContact O-CG 3.36Å; F179-R183 PolarHBondContact O-N 3.49Å; S180-R183 PolarHBondContact O-N 3.31Å; Y181-R183 PolarHBondContact O-N 3.4Å |
| 184 | L | 96.2 | Very high | 95.6 | Very high | 143 Ų | 143 | 68.1 Ų | 68.1 | 75% | 0.749 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -92.9 | -12.3 | 178.3 | -60.1 | 170.4 | 0 | 0 | 0 | 112.4 | Y181 I182 | Y181-L184 WeakPolarHBondContact O-CB 3.19Å; Y181-L184 PolarHBondContact O-N 3.09Å; I182-L184 PolarHBondContact O-N 2.88Å |
| 185 | L | 94.8 | Very high | 95.5 | Very high | 24 Ų | 24 | 70 Ų | 70 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -71.5 | 136.5 | -177.3 | -72.9 | 178.4 | 0 | 0 | 0 | 111.8 | I157 L171 Y181 I182 V189 V190 Y193 | I157-L185 HydrophobicContact CD1-CD1 4.21Å; L171-L185 HydrophobicContact CD1-CD1 4.23Å; Y181-L185 HydrophobicContact CD1-CD1 4.31Å; Y181-L185 HydrophobicContact CD1-CG 4.38Å; Y181-L185 HydrophobicContact CE1-CD1 4.03Å; Y181-L185 HydrophobicContact CE1-CD2 3.77Å; Y181-L185 HydrophobicContact CE1-CG 4.09Å; Y181-L185 HydrophobicContact CE2-CD2 4.25Å; Y181-L185 PolarHBondContact O-N 3.07Å; I182-L185 HydrophobicContact CG1-CD1 4.5Å; I182-L185 PolarHBondContact O-N 3.05Å; L185-V189 HydrophobicContact CD1-CG1 4.46Å; L185-V189 HydrophobicContact CD2-CG1 3.97Å; L185-V190 HydrophobicContact CB-CG2 3.97Å; L185-Y193 HydrophobicContact CD1-CD2 4.28Å; L185-Y193 HydrophobicContact CD1-CE2 3.92Å |
| 186 | P | 95.6 | Very high | 95.4 | Very high | 77 Ų | 77 | 74.9 Ų | 74.9 | 50% | 0.5 | 41% | 0.409 | S | S | . | . | trans | -63 | 151.2 | 168.6 | -20.9 | 32.4 | 0 | 0 | 0 | 112.3 | D188 V189 V190 | P186-D188 PolarHBondContact O-N 2.86Å; P186-V189 HydrophobicContact CB-CG2 4.37Å; P186-V189 HydrophobicContact CG-CG2 4.32Å; P186-V189 PolarHBondContact O-N 2.98Å; P186-V190 PolarHBondContact O-N 3.15Å; P186-V190 VanDerWaalsContact O-N 3.1Å | ||
| 187 | T | 93.9 | Very high | 95.3 | Very high | 108 Ų | 108 | 73.5 Ų | 73.5 | 66% | 0.663 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -56.6 | -34.8 | -179.9 | -51 | 0 | 0 | 0 | 0 | 113.1 | V189 V190 T191 | T187-V189 VanDerWaalsContact C-N 3.34Å; T187-V189 PolarHBondContact O-N 3.18Å; T187-V190 PolarHBondContact O-N 3.3Å; T187-T191 WeakPolarHBondContact O-CB 3.33Å; T187-T191 PolarHBondContact O-N 2.74Å; T187-T191 PolarHBondContact O-OG1 3.08Å |
| 188 | D | 94.3 | Very high | 95.2 | Very high | 137 Ų | 137 | 75.4 Ų | 75.4 | 73% | 0.733 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.2 | -40 | 178.9 | -60 | -30.1 | 0 | 0 | 0 | 111.9 | P186 T191 G192 | P186-D188 PolarHBondContact O-N 2.86Å; D188-T191 PolarHBondContact O-N 3.2Å; D188-G192 PolarHBondContact O-N 3.16Å |
| 189 | V | 95.2 | Very high | 94.8 | Very high | 60 Ų | 60 | 75.9 Ų | 75.9 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 178.2 | 180 | 0 | 0 | 0 | 0 | 110.1 | L185 P186 T187 T191 G192 Y193 | L185-V189 HydrophobicContact CD1-CG1 4.46Å; L185-V189 HydrophobicContact CD2-CG1 3.97Å; P186-V189 HydrophobicContact CB-CG2 4.37Å; P186-V189 HydrophobicContact CG-CG2 4.32Å; P186-V189 PolarHBondContact O-N 2.98Å; T187-V189 VanDerWaalsContact C-N 3.34Å; T187-V189 PolarHBondContact O-N 3.18Å; V189-T191 VanDerWaalsContact C-N 3.31Å; V189-T191 PolarHBondContact O-N 3.01Å; V189-G192 PolarHBondContact O-N 3.41Å; V189-G192 VanDerWaalsContact O-N 3.16Å; V189-Y193 HydrophobicContact CG1-CD2 3.84Å; V189-Y193 HydrophobicContact CG1-CE2 3.42Å; V189-Y193 VanDerWaalsContact CG1-CE2 3.42Å; V189-Y193 WeakPolarHBondContact O-CD2 3.46Å; V189-Y193 PolarHBondContact O-N 2.97Å |
| 190 | V | 95.1 | Very high | 94 | Very high | 9 Ų | 9 | 77.8 Ų | 77.8 | 6% | 0.055 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 173.4 | 171 | 0 | 0 | 0 | 0 | 110.9 | T169 L171 L185 P186 T187 G192 Y193 L194 | T169-V190 HydrophobicContact CG2-CG1 4.07Å; T169-V190 HydrophobicContact CG2-CG2 3.92Å; L171-V190 HydrophobicContact CD1-CB 4.47Å; L171-V190 HydrophobicContact CD1-CG1 4.28Å; L171-V190 HydrophobicContact CD1-CG2 4.1Å; L171-V190 HydrophobicContact CD2-CG1 4.49Å; L171-V190 HydrophobicContact CG-CG1 4.19Å; L185-V190 HydrophobicContact CB-CG2 3.97Å; P186-V190 PolarHBondContact O-N 3.15Å; P186-V190 VanDerWaalsContact O-N 3.1Å; T187-V190 PolarHBondContact O-N 3.3Å; V190-G192 VanDerWaalsContact C-N 3.31Å; V190-G192 PolarHBondContact O-N 3.28Å; V190-Y193 PolarHBondContact O-N 2.8Å; V190-L194 HydrophobicContact CG1-CD1 4.18Å; V190-L194 WeakPolarHBondContact O-CG 3.41Å; V190-L194 PolarHBondContact O-N 2.92Å |
| 191 | T | 94.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 76.6 Ų | 76.6 | 31% | 0.307 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 177.9 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | T187 D188 V189 L194 T195 | T187-T191 WeakPolarHBondContact O-CB 3.33Å; T187-T191 PolarHBondContact O-N 2.74Å; T187-T191 PolarHBondContact O-OG1 3.08Å; D188-T191 PolarHBondContact O-N 3.2Å; V189-T191 VanDerWaalsContact C-N 3.31Å; V189-T191 PolarHBondContact O-N 3.01Å; T191-L194 PolarHBondContact O-N 3.3Å; T191-T195 WeakPolarHBondContact O-CB 3.3Å; T191-T195 PolarHBondContact O-N 2.91Å; T191-T195 PolarHBondContact O-OG1 3.17Å |
| 192 | G | 95.6 | Very high | 90.5 | Very high | 36 Ų | 36 | 78.6 Ų | 78.6 | 37% | 0.371 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.9 | -51.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D188 V189 V190 L194 T195 L196 | D188-G192 PolarHBondContact O-N 3.16Å; V189-G192 PolarHBondContact O-N 3.41Å; V189-G192 VanDerWaalsContact O-N 3.16Å; V190-G192 VanDerWaalsContact C-N 3.31Å; V190-G192 PolarHBondContact O-N 3.28Å; G192-L194 PolarHBondContact O-N 2.99Å; G192-T195 PolarHBondContact O-N 2.9Å; G192-L196 WeakPolarHBondContact O-CG 3.42Å; G192-L196 PolarHBondContact O-N 2.82Å; G192-L196 VanDerWaalsContact O-N 3.16Å |
| 193 | Y | 95.6 | Very high | 88.2 | Confident | 65 Ų | 65 | 83.8 Ų | 83.8 | 26% | 0.255 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 177.8 | -76.1 | -60.4 | 0 | 0 | 0 | 112.8 | D156 I157 L171 L185 V189 V190 T195 L196 | D156-Y193 WeakPolarHBondContact O-CD1 3.24Å; I157-Y193 HydrophobicContact CD1-CD2 4.24Å; I157-Y193 HydrophobicContact CD1-CE1 4.21Å; I157-Y193 HydrophobicContact CD1-CE2 3.74Å; L171-Y193 HydrophobicContact CD1-CD2 4.29Å; L185-Y193 HydrophobicContact CD1-CD2 4.28Å; L185-Y193 HydrophobicContact CD1-CE2 3.92Å; V189-Y193 HydrophobicContact CG1-CD2 3.84Å; V189-Y193 HydrophobicContact CG1-CE2 3.42Å; V189-Y193 VanDerWaalsContact CG1-CE2 3.42Å; V189-Y193 WeakPolarHBondContact O-CD2 3.46Å; V189-Y193 PolarHBondContact O-N 2.97Å; V190-Y193 PolarHBondContact O-N 2.8Å; Y193-T195 VanDerWaalsContact C-N 3.34Å; Y193-T195 PolarHBondContact O-N 3Å; Y193-L196 PolarHBondContact O-N 2.8Å |
| 194 | L | 95.1 | Very high | 86 | Confident | 3 Ų | 3 | 88.5 Ų | 88.5 | 2% | 0.016 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 177.3 | -70.2 | 175.7 | 0 | 0 | 0 | 112.1 | T169 K170 L171 V190 T191 G192 L196 R197 K198 A199 C201 | T169-L194 WeakPolarHBondContact O-CD1 3.48Å; K170-L194 HydrophobicContact CB-CD2 4.08Å; L171-L194 HydrophobicContact CD2-CD2 3.86Å; L171-L194 HydrophobicContact CD2-CG 3.92Å; V190-L194 HydrophobicContact CG1-CD1 4.18Å; V190-L194 WeakPolarHBondContact O-CG 3.41Å; V190-L194 PolarHBondContact O-N 2.92Å; T191-L194 PolarHBondContact O-N 3.3Å; G192-L194 PolarHBondContact O-N 2.99Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 2.85Å; L194-R197 CarbonylContact O-C 3.19Å; L194-R197 PolarHBondContact O-N 3.41Å; L194-R197 VanDerWaalsContact O-N 3.09Å; L194-K198 PolarHBondContact O-N 2.89Å; L194-A199 CarbonylContact C-O 3.6Å; L194-A199 HydrophobicContact CB-CB 4.38Å; L194-A199 WeakPolarHBondContact CB-O 3.36Å; L194-A199 HydrophobicContact CD2-CB 4.19Å; L194-A199 PolarHBondContact O-N 3.03Å; L194-A199 VanDerWaalsContact O-O 3.08Å; L194-C201 HydrophobicContact CD1-CB 3.57Å |
| 195 | T | 95.4 | Very high | 85.5 | Confident | 92 Ų | 92 | 85.8 Ų | 85.8 | 56% | 0.564 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.9 | -39.2 | 179.3 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | T191 G192 Y193 R197 K198 | T191-T195 WeakPolarHBondContact O-CB 3.3Å; T191-T195 PolarHBondContact O-N 2.91Å; T191-T195 PolarHBondContact O-OG1 3.17Å; G192-T195 PolarHBondContact O-N 2.9Å; Y193-T195 VanDerWaalsContact C-N 3.34Å; Y193-T195 PolarHBondContact O-N 3Å; T195-R197 VanDerWaalsContact C-N 3.25Å; T195-R197 PolarHBondContact O-N 2.63Å; T195-K198 WeakPolarHBondContact O-CA 3.24Å; T195-K198 PolarHBondContact O-N 2.91Å |
| 196 | L | 93.9 | Very high | 85 | Confident | 144 Ų | 144 | 89.1 Ų | 89.1 | 75% | 0.754 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.3 | -37.9 | 176 | -68.1 | 174.6 | 0 | 0 | 0 | 112.1 | G192 Y193 L194 K198 | G192-L196 WeakPolarHBondContact O-CG 3.42Å; G192-L196 PolarHBondContact O-N 2.82Å; G192-L196 VanDerWaalsContact O-N 3.16Å; Y193-L196 PolarHBondContact O-N 2.8Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 2.85Å; L196-K198 PolarHBondContact O-N 2.64Å |
| 197 | R | 93.4 | Very high | 84.4 | Confident | 68 Ų | 68 | 89.7 Ų | 89.7 | 26% | 0.257 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 2.7 | 174.9 | -163.4 | 172.3 | 66.6 | -155.2 | -2.9 | 113.2 | D156 K170 R172 L194 T195 A199 | D156-R197 IonicContact OD1-CZ 2.54Å; D156-R197 IonicContact OD1-NE 3.87Å; D156-R197 IonicContact OD1-NH1 3.52Å; D156-R197 PolarHBondContact OD1-NH1 3.14Å; D156-R197 IonicContact OD2-CZ 3.3Å; D156-R197 IonicContact OD2-NH1 3.54Å; D156-R197 PolarHBondContact OD2-NH1 3.37Å; D156-R197 IonicContact OD2-NH2 3.58Å; K170-R197 PolarHBondContact O-NH2 3.11Å; R172-R197 VanDerWaalsContact NE-NH1 3.18Å; L194-R197 CarbonylContact O-C 3.19Å; L194-R197 PolarHBondContact O-N 3.41Å; L194-R197 VanDerWaalsContact O-N 3.09Å; T195-R197 VanDerWaalsContact C-N 3.25Å; T195-R197 PolarHBondContact O-N 2.63Å; R197-A199 PolarHBondContact O-N 2.92Å |
| 198 | K | 93.1 | Very high | 83.9 | Confident | 196 Ų | 196 | 88.6 Ų | 88.6 | 85% | 0.852 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 32.6 | -172 | -53.5 | 175.8 | 178 | 175.9 | 0 | 112.1 | L194 T195 L196 | L194-K198 PolarHBondContact O-N 2.89Å; T195-K198 WeakPolarHBondContact O-CA 3.24Å; T195-K198 PolarHBondContact O-N 2.91Å; L196-K198 PolarHBondContact O-N 2.64Å |
| 199 | A | 89.8 | Confident | 83.2 | Confident | 31 Ų | 31 | 85.6 Ų | 85.6 | 26% | 0.256 | 49% | 0.485 | S | S | . | . | trans | -98.7 | 125.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108 | L194 R197 | L194-A199 CarbonylContact C-O 3.6Å; L194-A199 HydrophobicContact CB-CB 4.38Å; L194-A199 WeakPolarHBondContact CB-O 3.36Å; L194-A199 HydrophobicContact CD2-CB 4.19Å; L194-A199 PolarHBondContact O-N 3.03Å; L194-A199 VanDerWaalsContact O-O 3.08Å; R197-A199 PolarHBondContact O-N 2.92Å | ||
| 200 | T | 79.6 | Confident | 82.4 | Confident | 119 Ų | 119 | 87.3 Ų | 87.3 | 73% | 0.73 | 49% | 0.493 | S | S | * | . | trans | -97 | 121.7 | 172.3 | -52.2 | 0 | 0 | 0 | 0 | 107.9 | I202 | T200-I202 VanDerWaalsContact C-N 3.28Å; T200-I202 HydrophobicContact CG2-CG1 3.92Å; T200-I202 PolarHBondContact O-N 3.13Å | ||
| 201 | C | 63.6 | Low | 81.5 | Confident | 46 Ų | 46 | 92.9 Ų | 92.9 | 31% | 0.311 | 53% | 0.525 | S | S | . | . | trans | -72.3 | 91.4 | 162.2 | 55.9 | 0 | 0 | 0 | 0 | 107.7 | L194 V203 | L194-C201 HydrophobicContact CD1-CB 3.57Å; C201-V203 HydrophobicContact CB-CG2 4.26Å; C201-V203 PolarHBondContact O-N 3.47Å; C201-V203 VanDerWaalsContact O-N 3.12Å | ||
| 202 | I | 54.7 | Low | 80.5 | Confident | 151 Ų | 151 | 96.2 Ų | 96.2 | 77% | 0.774 | 54% | 0.542 | S | S | * | . | trans | -79.9 | 86.1 | 160.2 | -53.5 | 164.8 | 0 | 0 | 0 | 104.2 | T200 | T200-I202 VanDerWaalsContact C-N 3.28Å; T200-I202 HydrophobicContact CG2-CG1 3.92Å; T200-I202 PolarHBondContact O-N 3.13Å | ||
| 203 | V | 47.8 | Very low | 79.2 | Confident | 110 Ų | 110 | 101.3 Ų | 101.3 | 67% | 0.667 | 56% | 0.556 | S | S | * | * | trans | -91.4 | 125.8 | 162.9 | -179.2 | 0 | 0 | 0 | 0 | 105.5 | C201 | C201-V203 HydrophobicContact CB-CG2 4.26Å; C201-V203 PolarHBondContact O-N 3.47Å; C201-V203 VanDerWaalsContact O-N 3.12Å | ||
| 204 | P | 49 | Very low | 77.8 | Confident | 190 Ų | 190 | 104.5 Ų | 104.5 | 100% | 1.234 | 58% | 0.583 | S | S | * | * | trans | -63.1 | 0 | 177.9 | 27.4 | -34.7 | 0 | 0 | 0 | 113.1 |
Retrieved 204 of 204 residues in 195.2 ms
(Link to these results)