| 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 | 54.3 | Low | 54.1 | Low | 252 Ų | 252 | 161.7 Ų | 161.7 | 100% | 1.241 | 89% | 0.892 | S | S | * | * | 0 | 124.4 | 0 | -74.7 | 174.4 | 155 | 0 | 0 | 108.9 | |||||
| 2 | K | 42.1 | Very low | 53.8 | Low | 206 Ų | 206 | 157.3 Ų | 157.3 | 90% | 0.896 | 88% | 0.881 | S | S | * | * | trans | -112.8 | 122.5 | -171.4 | -100.6 | 174.6 | 171.5 | 170.9 | 0 | 109.1 | ||||
| 3 | V | 52.3 | Low | 53.2 | Low | 137 Ų | 137 | 157.8 Ų | 157.8 | 83% | 0.83 | 88% | 0.878 | S | S | * | * | trans | -152.4 | 94 | 158.5 | -172.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 4 | K | 56.5 | Low | 53.1 | Low | 203 Ų | 203 | 155.7 Ų | 155.7 | 88% | 0.883 | 88% | 0.877 | S | S | * | * | 79.9 | 104.1 | 88.8 | -75.5 | -176.5 | 179.2 | 178.3 | 0 | 114.4 | |||||
| 5 | S | 49.6 | Very low | 52.4 | Low | 120 Ų | 120 | 160.8 Ų | 160.8 | 84% | 0.839 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 138 | 163.1 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 6 | S | 65.8 | Low | 52.6 | Low | 123 Ų | 123 | 164.1 Ų | 164.1 | 86% | 0.86 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 140.8 | 170.6 | 50 | 0 | 0 | 0 | 0 | 111.8 | ||
| 7 | K | 65.1 | Low | 51.9 | Low | 195 Ų | 195 | 165.4 Ų | 165.4 | 85% | 0.848 | 88% | 0.876 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 157.8 | 179.4 | -65.9 | 173.7 | 177.2 | 177.3 | 0 | 111 | ||
| 8 | P | 52.2 | Low | 51.4 | Low | 126 Ų | 126 | 167.4 Ų | 167.4 | 82% | 0.818 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 149.8 | 166.9 | 34.9 | -28.8 | 0 | 0 | 0 | 112.4 | ||
| 9 | L | 59.6 | Low | 51 | Low | 181 Ų | 181 | 164.2 Ų | 164.2 | 95% | 0.948 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 133.2 | -177.2 | -75.3 | 160.4 | 0 | 0 | 0 | 112.6 | ||
| 10 | T | 45.8 | Very low | 50.4 | Low | 139 Ų | 139 | 166.5 Ų | 166.5 | 85% | 0.853 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 128.2 | 165.5 | 47.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 11 | A | 51.5 | Low | 50.1 | Low | 97 Ų | 97 | 164.2 Ų | 164.2 | 80% | 0.802 | 87% | 0.87 | S | S | * | * | trans | -162.5 | 149.4 | 161 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 12 | S | 50.9 | Low | 49.4 | Very low | 108 Ų | 108 | 161.4 Ų | 161.4 | 76% | 0.755 | 85% | 0.85 | S | S | * | * | cis | -169.8 | 131.2 | -18.4 | 45.5 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 13 | I | 45.6 | Very low | 49.6 | Very low | 165 Ų | 165 | 161.6 Ų | 161.6 | 85% | 0.846 | 85% | 0.851 | S | S | * | * | trans | -73.4 | 123.7 | 179.7 | -69.3 | 160.5 | 0 | 0 | 0 | 109 | ||||
| 14 | C | 51.7 | Low | 49.1 | Very low | 128 Ų | 128 | 163.4 Ų | 163.4 | 87% | 0.865 | 85% | 0.851 | S | S | * | * | trans | -124.3 | 114.1 | 169.4 | -140.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 15 | R | 43.3 | Very low | 48.5 | Very low | 232 Ų | 232 | 160.1 Ų | 160.1 | 88% | 0.875 | 84% | 0.843 | S | S | * | * | trans | -81.6 | 130.7 | 175.1 | -70.8 | 175.2 | 175.2 | 176.9 | -1.2 | 109.1 | ||||
| 16 | K | 56.1 | Low | 48.4 | Very low | 214 Ų | 214 | 164.3 Ų | 164.3 | 93% | 0.93 | 85% | 0.846 | S | S | * | * | trans | -124.9 | 124.6 | 158.2 | -102.1 | 179.5 | 177.7 | 176.2 | 0 | 110.1 | ||||
| 17 | K | 40.5 | Very low | 47.5 | Very low | 186 Ų | 186 | 164.7 Ų | 164.7 | 81% | 0.809 | 84% | 0.843 | S | S | * | * | trans | -91.7 | 167.9 | 168.7 | -79 | -170 | 174 | -178.5 | 0 | 109.8 | ||||
| 18 | F | 42 | Very low | 46.7 | Very low | 202 Ų | 202 | 164.5 Ų | 164.5 | 89% | 0.886 | 84% | 0.842 | S | S | * | * | trans | 81.6 | 138.3 | 171.1 | -74 | -90.7 | 0 | 0 | 0 | 115 | ||||
| 19 | S | 43.4 | Very low | 46.4 | Very low | 105 Ų | 105 | 169.9 Ų | 169.9 | 73% | 0.734 | 85% | 0.846 | S | S | * | * | cis | -153.1 | 160 | 12.3 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 20 | K | 40.1 | Very low | 45.7 | Very low | 211 Ų | 211 | 168.5 Ų | 168.5 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | trans | -65.7 | 131.6 | 173.3 | -72.6 | 174.2 | 174.3 | 176.3 | 0 | 110.4 | ||||
| 21 | S | 43.7 | Very low | 45.8 | Very low | 118 Ų | 118 | 169.9 Ų | 169.9 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -144.3 | 131.1 | 159.1 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 22 | K | 39.2 | Very low | 45.7 | Very low | 193 Ų | 193 | 174.4 Ų | 174.4 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | trans | -58.5 | 136.2 | -174.5 | -70.8 | 167.9 | 169.3 | 174.9 | 0 | 111.9 | ||||
| 23 | K | 46 | Very low | 45.3 | Very low | 210 Ų | 210 | 176.2 Ų | 176.2 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | trans | -131.1 | 91 | 156.5 | -79.9 | -171.3 | 177.5 | 177 | 0 | 109.6 | ||||
| 24 | H | 43.1 | Very low | 45.3 | Very low | 176 Ų | 176 | 175.7 Ų | 175.7 | 82% | 0.815 | 84% | 0.836 | S | S | * | * | trans | -68.1 | 164.6 | 147.3 | -95.9 | -79.1 | 0 | 0 | 0 | 108.8 | ||||
| 25 | D | 44.1 | Very low | 45.2 | Very low | 134 Ų | 134 | 177.9 Ų | 177.9 | 72% | 0.717 | 83% | 0.833 | S | S | * | * | trans | 79.1 | 78 | 175.1 | -73.6 | -33.7 | 0 | 0 | 0 | 118.7 | ||||
| 26 | K | 46.8 | Very low | 45.2 | Very low | 208 Ų | 208 | 171.5 Ų | 171.5 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | trans | -139.3 | 19.1 | 150.7 | -80.6 | -162.8 | 177.3 | -179.7 | 0 | 114.8 | ||||
| 27 | T | 47.1 | Very low | 44.9 | Very low | 131 Ų | 131 | 171.5 Ų | 171.5 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -105.5 | 21.9 | -173.9 | 37.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 28 | K | 48.1 | Very low | 44.8 | Very low | 191 Ų | 191 | 167.6 Ų | 167.6 | 83% | 0.83 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -126.5 | 12.3 | 179.5 | -77.4 | -172.8 | 176.4 | 179.6 | 0 | 116.5 | ||
| 29 | R | 45.5 | Very low | 44.6 | Very low | 238 Ų | 238 | 161.1 Ų | 161.1 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -116.2 | 0.1 | -176.6 | -140.8 | 173.6 | -176.9 | 175.3 | 0.4 | 116 | ||
| 30 | L | 45.7 | Very low | 44.6 | Very low | 153 Ų | 153 | 164.1 Ų | 164.1 | 80% | 0.801 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -108.5 | -2.5 | -179.5 | -98.7 | 154.5 | 0 | 0 | 0 | 114.6 | ||
| 31 | Q | 47.9 | Very low | 44.6 | Very low | 168 Ų | 168 | 158.8 Ų | 158.8 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -96.3 | -4.1 | 177.4 | -125 | 173 | 2.6 | 0 | 0 | 113.8 | ||
| 32 | K | 48.2 | Very low | 44.4 | Very low | 191 Ų | 191 | 162.5 Ų | 162.5 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -102.8 | 10.2 | -177.5 | -143 | 173.8 | -174.8 | 178.9 | 0 | 114.4 | ||
| 33 | L | 42.7 | Very low | 44.5 | Very low | 147 Ų | 147 | 160.1 Ų | 160.1 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -114.4 | 4.8 | 177.8 | -144.4 | 80.9 | 0 | 0 | 0 | 113.4 | ||
| 34 | L | 47.1 | Very low | 44.4 | Very low | 153 Ų | 153 | 158.5 Ų | 158.5 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -108.6 | 13.6 | -177.9 | -81.1 | 162.9 | 0 | 0 | 0 | 113.6 | ||
| 35 | Q | 48.3 | Very low | 44 | Very low | 175 Ų | 175 | 157.5 Ų | 157.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -122.5 | 12.4 | -176.8 | -75.8 | 179.5 | -9 | 0 | 0 | 114.9 | ||
| 36 | S | 44.4 | Very low | 43.8 | Very low | 98 Ų | 98 | 159.7 Ų | 159.7 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -122.3 | 35.3 | -174.7 | 70.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 37 | K | 48.2 | Very low | 43.3 | Very low | 213 Ų | 213 | 155.3 Ų | 155.3 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | trans | -145.1 | 66.5 | 166.1 | -83.3 | -170 | 175.2 | 179.4 | 0 | 110.8 | ||||
| 38 | A | 39.6 | Very low | 43.2 | Very low | 104 Ų | 104 | 156.8 Ų | 156.8 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -139.2 | 111.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 39 | G | 37.2 | Very low | 42.6 | Very low | 67 Ų | 67 | 156.2 Ų | 156.2 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | 151.8 | 140.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 40 | L | 43.4 | Very low | 42.4 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | 85.9 | 83.1 | -174.7 | -69.4 | 91.5 | 0 | 0 | 0 | 115 | ||||
| 41 | S | 41 | Very low | 42.2 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | 75.3 | 99.4 | 73.1 | 78.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 42 | K | 39.4 | Very low | 41.9 | Very low | 196 Ų | 196 | 147.8 Ų | 147.8 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | 47.2 | 107.5 | 98.7 | -74.1 | -172.3 | 179.9 | -179.4 | 0 | 114 | |||||
| 43 | N | 41.1 | Very low | 41.5 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | 174.9 | 142.2 | 112.3 | -94.5 | -11.8 | 0 | 0 | 0 | 114.6 | |||||
| 44 | Q | 44.1 | Very low | 41.5 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 86.6 | 101.4 | 146.3 | -69.9 | 172.6 | 7.1 | 0 | 0 | 120.9 | ||||
| 45 | N | 33.8 | Very low | 41.4 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -60.3 | 143.1 | 143.1 | -68.9 | -27.7 | 0 | 0 | 0 | 110.1 | ||||
| 46 | E | 41 | Very low | 41 | Very low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | 175.9 | 130.5 | 123.3 | -97.5 | 178.2 | -177 | 0 | 0 | 111.4 | |||||
| 47 | T | 36 | Very low | 41 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 71% | 0.712 | 80% | 0.8 | S | S | * | * | trans | 54.6 | 120.7 | 131.7 | -45.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 48 | I | 44.4 | Very low | 40.5 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | -171.3 | 113.1 | 117.7 | -86.6 | 150.6 | 0 | 0 | 0 | 108.8 | |||||
| 49 | Q | 36.2 | Very low | 41 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | -72.8 | 146.6 | 155 | -74.4 | 172.9 | -18.3 | 0 | 0 | 108.9 | ||||
| 50 | S | 39.9 | Very low | 41.2 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | 156.3 | 134.9 | 123.6 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 51 | L | 42.1 | Very low | 41.1 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 69.8 | 134.9 | 145.9 | -59.8 | 154.6 | 0 | 0 | 0 | 116.6 | ||||
| 52 | V | 41.7 | Very low | 41.3 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | cis | -159.3 | 126.9 | 47.6 | -160.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 53 | A | 40.6 | Very low | 41.2 | Very low | 85 Ų | 85 | 137.3 Ų | 137.3 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | 40.9 | 135.4 | 96.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 54 | S | 43.1 | Very low | 41.4 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | cis | -166.8 | 154.4 | 3.9 | -68 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 55 | D | 43.5 | Very low | 41 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | 179.5 | 117.1 | 131.8 | -91 | -13.2 | 0 | 0 | 0 | 111.2 | ||||
| 56 | S | 41 | Very low | 41.3 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -86.8 | 137.8 | 176 | 49.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 57 | V | 43.8 | Very low | 41.3 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 93% | 0.933 | 77% | 0.769 | S | S | * | * | trans | -145.3 | 123.5 | 145 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 58 | S | 38.8 | Very low | 41.5 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 56% | 0.559 | 77% | 0.773 | S | S | * | * | trans | -72.5 | 153 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 59 | M | 49.3 | Very low | 41.5 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | trans | -166 | 106.8 | 133.3 | -89.9 | -60.2 | 139.7 | 0 | 0 | 108.1 | ||||
| 60 | D | 40.6 | Very low | 41.6 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | 37.6 | 138.9 | 114.7 | -54.5 | -22.6 | 0 | 0 | 0 | 117.2 | |||||
| 61 | E | 42.4 | Very low | 41.7 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | cis | -175.4 | 177.7 | 10.2 | -163.9 | -179.4 | 152.7 | 0 | 0 | 105.4 | ||||
| 62 | L | 44.2 | Very low | 41.8 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | 99.9 | 87.7 | 171.4 | -51.1 | -176.6 | 0 | 0 | 0 | 115.8 | ||||
| 63 | G | 38 | Very low | 41.9 | Very low | 74 Ų | 74 | 129.5 Ų | 129.5 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | -85 | 162.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 64 | I | 44.3 | Very low | 42 | Very low | 171 Ų | 171 | 134 Ų | 134 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -143.6 | 117.3 | 146.5 | -52.5 | 180 | 0 | 0 | 0 | 106.7 | ||||
| 65 | S | 35.5 | Very low | 41.7 | Very low | 92 Ų | 92 | 137 Ų | 137 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -76.4 | 146.8 | 171.7 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 66 | L | 42 | Very low | 41.8 | Very low | 158 Ų | 158 | 134 Ų | 134 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -167.6 | 95.3 | 142.4 | -100 | 161 | 0 | 0 | 0 | 110.5 | ||||
| 67 | N | 40.1 | Very low | 41.8 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | 43.2 | 117 | 132.4 | -59.9 | -15.3 | 0 | 0 | 0 | 121.9 | ||||
| 68 | T | 39.2 | Very low | 41.3 | Very low | 131 Ų | 131 | 134 Ų | 134 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -63.5 | -164.8 | 153.2 | 42.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 69 | P | 45.3 | Very low | 41.4 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | cis | -136.7 | 179.8 | -19.5 | 16 | 9.8 | 0 | 0 | 0 | 113.9 | ||||
| 70 | G | 37.5 | Very low | 40.9 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 163.8 | 116.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 71 | A | 42.7 | Very low | 40.6 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 78.9 | 108.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 72 | R | 44.8 | Very low | 40.5 | Very low | 228 Ų | 228 | 142.5 Ų | 142.5 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | 60.3 | 125.5 | 72.4 | -78.4 | -170.9 | 170.2 | 160.4 | -3.5 | 111.2 | |||||
| 73 | D | 43.8 | Very low | 40.2 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 65% | 0.647 | 80% | 0.796 | S | S | * | * | cis | -169.9 | 154.5 | 29 | -101.7 | -29 | 0 | 0 | 0 | 111.2 | ||||
| 74 | Q | 43.2 | Very low | 40.5 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | 76.9 | 104.2 | 145 | -66.6 | 176.4 | 85.8 | 0 | 0 | 123.1 | ||||
| 75 | L | 35.5 | Very low | 40 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -79 | -174.7 | 141.4 | -78.6 | 173.6 | 0 | 0 | 0 | 110 | ||||
| 76 | P | 45 | Very low | 40.4 | Very low | 104 Ų | 104 | 151.2 Ų | 151.2 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | cis | -132 | -176.3 | -26.2 | 23.8 | -0.2 | 0 | 0 | 0 | 111.8 | ||||
| 77 | M | 41.7 | Very low | 40.4 | Very low | 178 Ų | 178 | 152.2 Ų | 152.2 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | 158 | 142.9 | 128.8 | -82.4 | -74 | -76.4 | 0 | 0 | 113.3 | |||||
| 78 | A | 34.1 | Very low | 40.5 | Very low | 86 Ų | 86 | 153.8 Ų | 153.8 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | -76.7 | 146.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 79 | V | 40.5 | Very low | 40.3 | Very low | 153 Ų | 153 | 154.1 Ų | 154.1 | 93% | 0.927 | 81% | 0.812 | S | S | * | * | trans | -144.5 | 139.8 | 148.7 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 80 | S | 38.5 | Very low | 40.3 | Very low | 103 Ų | 103 | 156.1 Ų | 156.1 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -84.9 | 154.6 | -167.4 | -163 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 81 | R | 33.3 | Very low | 40.2 | Very low | 228 Ų | 228 | 159.6 Ų | 159.6 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 11.5 | 133.5 | 149.8 | -83.9 | 176.2 | 162.2 | -172.5 | -5.4 | 120.2 | ||||
| 82 | R | 41.7 | Very low | 40 | Very low | 234 Ų | 234 | 162 Ų | 162 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | -175.1 | 109.8 | 127.1 | -91.6 | 149.6 | -168.4 | 160.5 | 2.9 | 107.4 | |||||
| 83 | E | 38.3 | Very low | 39.8 | Very low | 188 Ų | 188 | 159.2 Ų | 159.2 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | 55.4 | 102.4 | 94.4 | -76.8 | -176.1 | 168.2 | 0 | 0 | 114 | |||||
| 84 | L | 43.3 | Very low | 39.6 | Very low | 156 Ų | 156 | 161 Ų | 161 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | trans | -139.1 | 98.1 | 155 | -82.2 | 178 | 0 | 0 | 0 | 108.6 | ||||
| 85 | N | 34.3 | Very low | 39.3 | Very low | 166 Ų | 166 | 158.5 Ų | 158.5 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -98.8 | 120.9 | 151.9 | -82.1 | -14 | 0 | 0 | 0 | 105.4 | ||||
| 86 | E | 43.9 | Very low | 39.5 | Very low | 173 Ų | 173 | 159.6 Ų | 159.6 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | -124.6 | 107.4 | 162.7 | -83.8 | -175.7 | 154.2 | 0 | 0 | 108.5 | ||||
| 87 | E | 40.7 | Very low | 39.4 | Very low | 178 Ų | 178 | 162.2 Ų | 162.2 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -73.1 | 132.6 | 161.4 | -69.1 | -171.3 | 133.9 | 0 | 0 | 108.8 | ||||
| 88 | L | 43.8 | Very low | 39.1 | Very low | 168 Ų | 168 | 159.3 Ų | 159.3 | 88% | 0.88 | 82% | 0.823 | S | S | * | * | trans | -112.7 | 94.2 | 163.2 | -71.1 | 175.3 | 0 | 0 | 0 | 108.4 | ||||
| 89 | N | 34.7 | Very low | 39.6 | Very low | 137 Ų | 137 | 161.1 Ų | 161.1 | 73% | 0.733 | 83% | 0.827 | S | S | * | * | trans | -102.7 | 123.4 | 150 | -86.2 | -48.2 | 0 | 0 | 0 | 106.6 | ||||
| 90 | L | 44.4 | Very low | 39.4 | Very low | 165 Ų | 165 | 159.5 Ų | 159.5 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -138.3 | 94.9 | 166.9 | -144 | 77.9 | 0 | 0 | 0 | 107.9 | ||||
| 91 | D | 35.4 | Very low | 39.5 | Very low | 148 Ų | 148 | 157.9 Ų | 157.9 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | -89.9 | 154.8 | 156.8 | -79.7 | -46.2 | 0 | 0 | 0 | 108.7 | ||||
| 92 | D | 39.1 | Very low | 39.6 | Very low | 147 Ų | 147 | 154.1 Ų | 154.1 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | trans | 71.8 | 116.2 | 171.8 | -80 | -32.8 | 0 | 0 | 0 | 118.4 | ||||
| 93 | I | 41.5 | Very low | 39.8 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | -158 | 128.3 | 124.4 | -89.7 | 143.2 | 0 | 0 | 0 | 109 | |||||
| 94 | M | 38.5 | Very low | 39.8 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -63 | 152.4 | 172 | -66.8 | -141.7 | 177.4 | 0 | 0 | 113.3 | ||||
| 95 | T | 38.1 | Very low | 39.9 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | 142.1 | 118.6 | 123.8 | 50.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 96 | K | 39 | Very low | 40 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 28.3 | 119 | 139.4 | -57.4 | -179.8 | -180 | 178.3 | 0 | 117.8 | ||||
| 97 | N | 41.5 | Very low | 40.1 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | 175.5 | 122.1 | 115.7 | -80.3 | -23.1 | 0 | 0 | 0 | 110.6 | |||||
| 98 | S | 36.5 | Very low | 40.2 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -71.1 | 156 | 163.2 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 99 | P | 44.4 | Very low | 40.3 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | -142.6 | 160.2 | 94 | 31.2 | -12.3 | 0 | 0 | 0 | 115.1 | |||||
| 100 | S | 36.3 | Very low | 40.6 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -40.5 | 128.4 | 173.2 | 52.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 101 | G | 40.1 | Very low | 40.7 | Very low | 70 Ų | 70 | 141.6 Ų | 141.6 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -142.1 | 98.9 | 163 | 0 | 0 | 0 | 0 | 0 | 109.5 | I103 | G101-I103 PolarHBondContact O-N 3.47Š| ||
| 102 | N | 36.5 | Very low | 41.8 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -64.8 | 111.1 | 175.4 | -94.9 | -59.2 | 0 | 0 | 0 | 110.5 | ||||
| 103 | I | 46 | Very low | 42.9 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -125.5 | 97.8 | 157.4 | -58.2 | 177.2 | 0 | 0 | 0 | 106.8 | G101 L105 | G101-I103 PolarHBondContact O-N 3.47Å; I103-L105 PolarHBondContact O-N 3.15Å; I103-L105 VanDerWaalsContact O-N 3.11Å | ||
| 104 | K | 39 | Very low | 44.1 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -69.8 | 98.6 | 173.5 | -73 | 176.9 | 177.8 | 174.5 | 0 | 108.3 | ||||
| 105 | L | 43.9 | Very low | 46.1 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | trans | -79.9 | 120.9 | 164 | -169 | 66.3 | 0 | 0 | 0 | 108.7 | I103 D107 | I103-L105 PolarHBondContact O-N 3.15Å; I103-L105 VanDerWaalsContact O-N 3.11Å; L105-D107 PolarHBondContact O-N 3.14Å | ||
| 106 | V | 36.1 | Very low | 48.2 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | trans | -70.6 | 108.2 | -176.4 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 107 | D | 46 | Very low | 50.3 | Low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -117.3 | 98 | 158.3 | -88.8 | -34.1 | 0 | 0 | 0 | 108.4 | L105 K109 | L105-D107 PolarHBondContact O-N 3.14Å; D107-K109 PolarHBondContact O-N 3.48Å | ||
| 108 | A | 43.4 | Very low | 52.3 | Low | 96 Ų | 96 | 130.9 Ų | 130.9 | 79% | 0.793 | 73% | 0.733 | S | S | * | * | trans | -61.5 | 100.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | C110 | A108-C110 PolarHBondContact O-N 3.4Š| ||
| 109 | K | 46.7 | Very low | 54.5 | Low | 192 Ų | 192 | 132.7 Ų | 132.7 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | trans | -64 | 99.8 | 162.8 | -81.9 | 179.1 | 177.4 | 171.5 | 0 | 108.5 | D107 T111 | D107-K109 PolarHBondContact O-N 3.48Å; K109-T111 PolarHBondContact O-N 2.87Å | ||
| 110 | C | 40.8 | Very low | 56.6 | Low | 108 Ų | 108 | 133.9 Ų | 133.9 | 73% | 0.73 | 72% | 0.715 | S | S | * | * | trans | -61.5 | 100.7 | 160.8 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | A108 E112 | A108-C110 PolarHBondContact O-N 3.4Å; C110-E112 PolarHBondContact O-N 2.98Å | ||
| 111 | T | 45.1 | Very low | 59.1 | Low | 130 Ų | 130 | 136.6 Ų | 136.6 | 80% | 0.798 | 71% | 0.706 | S | S | * | * | trans | -82 | 62.1 | 173.6 | 52.8 | 0 | 0 | 0 | 0 | 109.8 | K109 | K109-T111 PolarHBondContact O-N 2.87Š| ||
| 112 | E | 59.1 | Low | 61.3 | Low | 146 Ų | 146 | 138 Ų | 138 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | trans | -81.6 | 127.5 | 171.2 | -145.5 | 174.9 | -175.7 | 0 | 0 | 108.3 | C110 L114 | C110-E112 PolarHBondContact O-N 2.98Å; E112-L114 PolarHBondContact O-N 3.35Å | ||
| 113 | K | 62 | Low | 63.8 | Low | 203 Ų | 203 | 138.5 Ų | 138.5 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | trans | -69 | 75 | -179.7 | -70.5 | -171 | -179.6 | 178.9 | 0 | 110.2 | T115 | K113-T115 PolarHBondContact O-N 2.81Š| ||
| 114 | L | 67.9 | Low | 65.9 | Low | 64 Ų | 64 | 139.7 Ų | 139.7 | 34% | 0.335 | 68% | 0.683 | S | S | . | * | trans | -62 | 127.2 | 176.1 | -69 | 165.7 | 0 | 0 | 0 | 109.5 | E112 Q118 R119 | E112-L114 PolarHBondContact O-N 3.35Å; L114-Q118 HydrophobicContact CB-CB 4.02Å; L114-Q118 HydrophobicContact CD2-CB 3.77Å; L114-Q118 HydrophobicContact CD2-CG 4.29Å; L114-Q118 HydrophobicContact CG-CB 4.44Å; L114-R119 HydrophobicContact CB-CG 3.79Å; L114-R119 PolarHBondContact O-NE 3.44Å | ||
| 115 | T | 79.4 | Confident | 68.4 | Low | 76 Ų | 76 | 135.4 Ų | 135.4 | 47% | 0.466 | 67% | 0.666 | S | S | . | * | trans | -56.1 | 156.1 | 172 | 53.8 | 0 | 0 | 0 | 0 | 110.9 | K113 S117 Q118 R119 | K113-T115 PolarHBondContact O-N 2.81Å; T115-S117 PolarHBondContact O-N 3.49Å; T115-S117 PolarHBondContact OG1-OG 3.04Å; T115-Q118 PolarHBondContact O-N 3.22Å; T115-Q118 VanDerWaalsContact OG1-CD 3.28Å; T115-Q118 WeakPolarHBondContact OG1-CG 3.48Å; T115-Q118 PolarHBondContact OG1-OE1 2.74Å; T115-R119 PolarHBondContact O-N 3.11Å; T115-R119 VanDerWaalsContact O-N 3.1Å | ||
| 116 | K | 83.7 | Confident | 70.6 | Confident | 200 Ų | 200 | 133 Ų | 133 | 87% | 0.87 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -52.7 | -32.3 | 178.7 | -71.4 | -177.6 | 179.7 | 175.9 | 0 | 112.2 | K120 | K116-K120 PolarHBondContact O-N 3.33Å |
| 117 | S | 82.2 | Confident | 73.2 | Confident | 85 Ų | 85 | 134.1 Ų | 134.1 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.8 | -42.6 | 177.2 | 76.1 | 0 | 0 | 0 | 0 | 112.6 | T115 K120 R121 | T115-S117 PolarHBondContact O-N 3.49Å; T115-S117 PolarHBondContact OG1-OG 3.04Å; S117-K120 PolarHBondContact O-N 3.12Å; S117-R121 PolarHBondContact O-N 3.27Å |
| 118 | Q | 83.2 | Confident | 75.3 | Confident | 94 Ų | 94 | 132 Ų | 132 | 44% | 0.439 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.8 | -41.9 | 179 | -74.8 | 167.3 | -32.7 | 0 | 0 | 111.8 | L114 T115 K120 R121 H122 | L114-Q118 HydrophobicContact CB-CB 4.02Å; L114-Q118 HydrophobicContact CD2-CB 3.77Å; L114-Q118 HydrophobicContact CD2-CG 4.29Å; L114-Q118 HydrophobicContact CG-CB 4.44Å; T115-Q118 PolarHBondContact O-N 3.22Å; T115-Q118 VanDerWaalsContact OG1-CD 3.28Å; T115-Q118 WeakPolarHBondContact OG1-CG 3.48Å; T115-Q118 PolarHBondContact OG1-OE1 2.74Å; Q118-K120 VanDerWaalsContact C-N 3.31Å; Q118-K120 PolarHBondContact O-N 2.75Å; Q118-R121 PolarHBondContact O-N 2.82Å; Q118-R121 VanDerWaalsContact O-N 3.15Å; Q118-H122 PolarHBondContact O-N 3.21Å |
| 119 | R | 83.3 | Confident | 77.5 | Confident | 156 Ų | 156 | 134.7 Ų | 134.7 | 59% | 0.589 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -59.1 | -41.4 | 173.7 | -66.5 | -177.1 | -174.7 | -165.8 | -4.7 | 112 | L114 T115 H122 K123 | L114-R119 HydrophobicContact CB-CG 3.79Å; L114-R119 PolarHBondContact O-NE 3.44Å; T115-R119 PolarHBondContact O-N 3.11Å; T115-R119 VanDerWaalsContact O-N 3.1Å; R119-H122 PolarHBondContact O-N 3.43Å; R119-K123 WeakPolarHBondContact O-CB 3.47Å; R119-K123 PolarHBondContact O-N 3.34Å |
| 120 | K | 88.5 | Confident | 79.5 | Confident | 149 Ų | 149 | 131.4 Ų | 131.4 | 65% | 0.648 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.4 | -37.1 | 176.8 | -168.1 | 175.5 | -177.1 | 176.7 | 0 | 112 | K116 S117 Q118 R124 | K116-K120 PolarHBondContact O-N 3.33Å; S117-K120 PolarHBondContact O-N 3.12Å; Q118-K120 VanDerWaalsContact C-N 3.31Å; Q118-K120 PolarHBondContact O-N 2.75Å; K120-R124 PolarHBondContact O-N 2.92Å; K120-R124 VanDerWaalsContact O-N 3.14Å |
| 121 | R | 89.1 | Confident | 81.7 | Confident | 175 Ų | 175 | 134.1 Ų | 134.1 | 66% | 0.66 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.2 | -45.8 | 175.3 | -171.2 | 177.6 | -178.6 | -178.3 | -0.2 | 111.8 | S117 Q118 R124 Q125 | S117-R121 PolarHBondContact O-N 3.27Å; Q118-R121 PolarHBondContact O-N 2.82Å; Q118-R121 VanDerWaalsContact O-N 3.15Å; R121-R124 WeakPolarHBondContact O-CB 3.27Å; R121-R124 PolarHBondContact O-N 3.22Å; R121-Q125 PolarHBondContact O-N 3.45Å |
| 122 | H | 85.1 | Confident | 83.7 | Confident | 99 Ų | 99 | 134.9 Ų | 134.9 | 46% | 0.458 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.1 | -48.1 | 177.5 | -166.3 | -89.1 | 0 | 0 | 0 | 111.4 | Q118 R119 R124 Q125 E126 | Q118-H122 PolarHBondContact O-N 3.21Å; R119-H122 PolarHBondContact O-N 3.43Å; H122-R124 VanDerWaalsContact C-N 3.28Å; H122-R124 PolarHBondContact O-N 3.18Å; H122-Q125 PolarHBondContact O-N 3.38Å; H122-E126 IonicContact CE1-OE1 3.84Å; H122-E126 PolarHBondContact O-N 2.98Å |
| 123 | K | 90.1 | Very high | 84.9 | Confident | 161 Ų | 161 | 130.6 Ų | 130.6 | 70% | 0.7 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.2 | -34.9 | 176.3 | -167 | 170.1 | -174.7 | 171.7 | 0 | 113 | R119 K127 | R119-K123 WeakPolarHBondContact O-CB 3.47Å; R119-K123 PolarHBondContact O-N 3.34Å; K123-K127 WeakPolarHBondContact O-CB 3.42Å; K123-K127 PolarHBondContact O-N 3.5Å; K123-K127 VanDerWaalsContact O-N 3.14Å |
| 124 | R | 90.1 | Very high | 85.8 | Confident | 186 Ų | 186 | 123.4 Ų | 123.4 | 70% | 0.702 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.2 | -41.6 | 172.8 | -90.4 | -176.4 | 163.4 | -175 | -4.2 | 112.3 | K120 R121 H122 L128 | K120-R124 PolarHBondContact O-N 2.92Å; K120-R124 VanDerWaalsContact O-N 3.14Å; R121-R124 WeakPolarHBondContact O-CB 3.27Å; R121-R124 PolarHBondContact O-N 3.22Å; H122-R124 VanDerWaalsContact C-N 3.28Å; H122-R124 PolarHBondContact O-N 3.18Å; R124-L128 PolarHBondContact O-N 2.67Å |
| 125 | Q | 90.5 | Very high | 86.3 | Confident | 95 Ų | 95 | 127.5 Ų | 127.5 | 44% | 0.444 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.3 | -44.1 | 178.4 | -75 | -175.6 | -4.7 | 0 | 0 | 112 | R121 H122 L128 K129 | R121-Q125 PolarHBondContact O-N 3.45Å; H122-Q125 PolarHBondContact O-N 3.38Å; Q125-L128 WeakPolarHBondContact O-CB 3.49Å; Q125-L128 PolarHBondContact O-N 3.33Å; Q125-L128 VanDerWaalsContact O-N 3.14Å; Q125-K129 WeakPolarHBondContact O-CG 3.43Å; Q125-K129 PolarHBondContact O-N 3.08Å |
| 126 | E | 89.6 | Confident | 86.1 | Confident | 106 Ų | 106 | 127.9 Ų | 127.9 | 50% | 0.495 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.5 | -44.5 | 174.5 | -75.2 | -160.2 | 132.7 | 0 | 0 | 112.2 | H122 L128 K129 L130 | H122-E126 IonicContact CE1-OE1 3.84Å; H122-E126 PolarHBondContact O-N 2.98Å; E126-L128 PolarHBondContact O-N 3.48Å; E126-K129 PolarHBondContact O-N 2.93Å; E126-K129 VanDerWaalsContact O-N 3.13Å; E126-L130 WeakPolarHBondContact O-CG 3.18Å; E126-L130 PolarHBondContact O-N 3.19Å |
| 127 | K | 91.6 | Very high | 85.4 | Confident | 147 Ų | 147 | 122.6 Ų | 122.6 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61 | -33.3 | 175.1 | -167.7 | 173.6 | -176.3 | 175.1 | 0 | 112.1 | K123 R131 | K123-K127 WeakPolarHBondContact O-CB 3.42Å; K123-K127 PolarHBondContact O-N 3.5Å; K123-K127 VanDerWaalsContact O-N 3.14Å; K127-R131 WeakPolarHBondContact O-CB 3.38Å; K127-R131 WeakPolarHBondContact O-CG 3.33Å; K127-R131 PolarHBondContact O-N 2.86Å |
| 128 | L | 89.8 | Confident | 84.6 | Confident | 105 Ų | 105 | 123.8 Ų | 123.8 | 55% | 0.55 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.7 | -40.4 | 175.2 | -134.9 | 105.7 | 0 | 0 | 0 | 111.9 | R124 Q125 E126 R131 K132 | R124-L128 PolarHBondContact O-N 2.67Å; Q125-L128 WeakPolarHBondContact O-CB 3.49Å; Q125-L128 PolarHBondContact O-N 3.33Å; Q125-L128 VanDerWaalsContact O-N 3.14Å; E126-L128 PolarHBondContact O-N 3.48Å; L128-R131 PolarHBondContact O-N 3.09Å; L128-K132 WeakPolarHBondContact O-CB 3.28Å; L128-K132 WeakPolarHBondContact O-CG 3.46Å; L128-K132 PolarHBondContact O-N 2.88Å |
| 129 | K | 90.3 | Very high | 83.4 | Confident | 151 Ų | 151 | 124.7 Ų | 124.7 | 66% | 0.657 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.2 | -46.7 | 174.2 | -72.8 | -179.4 | 179.4 | -177.8 | 0 | 110.8 | Q125 E126 R131 K132 A133 | Q125-K129 WeakPolarHBondContact O-CG 3.43Å; Q125-K129 PolarHBondContact O-N 3.08Å; E126-K129 PolarHBondContact O-N 2.93Å; E126-K129 VanDerWaalsContact O-N 3.13Å; K129-R131 PolarHBondContact O-N 3.34Å; K129-K132 PolarHBondContact O-N 2.66Å; K129-K132 VanDerWaalsContact O-N 3.17Å; K129-A133 WeakPolarHBondContact O-CB 3.13Å; K129-A133 PolarHBondContact O-N 2.94Å |
| 130 | L | 87.4 | Confident | 82.3 | Confident | 124 Ų | 124 | 126.3 Ų | 126.3 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.9 | -41 | 174.3 | -72 | 170.9 | 0 | 0 | 0 | 112.3 | E126 A133 A134 | E126-L130 WeakPolarHBondContact O-CG 3.18Å; E126-L130 PolarHBondContact O-N 3.19Å; L130-A133 PolarHBondContact O-N 3.26Å; L130-A134 VanDerWaalsContact O-CB 3.25Å; L130-A134 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 3.2Å |
| 131 | R | 86.9 | Confident | 80.7 | Confident | 164 Ų | 164 | 124.6 Ų | 124.6 | 62% | 0.619 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.8 | -34 | 174.3 | -76.7 | -178.2 | 83.5 | -175.7 | 7.8 | 113.1 | K127 L128 K129 K135 | K127-R131 WeakPolarHBondContact O-CB 3.38Å; K127-R131 WeakPolarHBondContact O-CG 3.33Å; K127-R131 PolarHBondContact O-N 2.86Å; L128-R131 PolarHBondContact O-N 3.09Å; K129-R131 PolarHBondContact O-N 3.34Å; R131-K135 WeakPolarHBondContact O-CB 3.47Å; R131-K135 VanDerWaalsContact O-CG 3.27Å; R131-K135 WeakPolarHBondContact O-CG 3.41Å; R131-K135 PolarHBondContact O-N 3.43Å; R131-K135 VanDerWaalsContact O-N 3.08Å |
| 132 | K | 86.9 | Confident | 79.1 | Confident | 146 Ų | 146 | 124.4 Ų | 124.4 | 64% | 0.635 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.9 | -42.9 | 174.7 | -78.9 | -176 | 175.8 | -174.1 | 0 | 111.1 | L128 K129 K135 A136 | L128-K132 WeakPolarHBondContact O-CB 3.28Å; L128-K132 WeakPolarHBondContact O-CG 3.46Å; L128-K132 PolarHBondContact O-N 2.88Å; K129-K132 PolarHBondContact O-N 2.66Å; K129-K132 VanDerWaalsContact O-N 3.17Å; K132-K135 PolarHBondContact O-N 3.06Å; K132-A136 WeakPolarHBondContact O-CB 3.26Å; K132-A136 PolarHBondContact O-N 2.92Å |
| 133 | A | 84.3 | Confident | 77.5 | Confident | 57 Ų | 57 | 125.5 Ų | 125.5 | 47% | 0.471 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.3 | -46.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K129 L130 K135 A136 S137 | K129-A133 WeakPolarHBondContact O-CB 3.13Å; K129-A133 PolarHBondContact O-N 2.94Å; L130-A133 PolarHBondContact O-N 3.26Å; A133-K135 VanDerWaalsContact C-N 3.27Å; A133-K135 PolarHBondContact O-N 3.2Å; A133-A136 PolarHBondContact O-N 3.23Å; A133-S137 PolarHBondContact O-N 3.24Å; A133-S137 PolarHBondContact O-OG 2.86Å |
| 134 | A | 81 | Confident | 75.9 | Confident | 51 Ų | 51 | 127.2 Ų | 127.2 | 42% | 0.421 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -62.3 | -32.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L130 S137 I138 | L130-A134 VanDerWaalsContact O-CB 3.25Å; L130-A134 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 3.2Å; A134-S137 PolarHBondContact O-OG 3.44Å; A134-I138 VanDerWaalsContact O-CG1 3.27Å; A134-I138 WeakPolarHBondContact O-CG1 3.29Å; A134-I138 PolarHBondContact O-N 3.1Å |
| 135 | K | 78.9 | Confident | 74.2 | Confident | 150 Ų | 150 | 125.7 Ų | 125.7 | 65% | 0.652 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.9 | -28.6 | 173.2 | -78.8 | -179.2 | 176.5 | -167.4 | 0 | 113.4 | R131 K132 A133 | R131-K135 WeakPolarHBondContact O-CB 3.47Å; R131-K135 VanDerWaalsContact O-CG 3.27Å; R131-K135 WeakPolarHBondContact O-CG 3.41Å; R131-K135 PolarHBondContact O-N 3.43Å; R131-K135 VanDerWaalsContact O-N 3.08Å; K132-K135 PolarHBondContact O-N 3.06Å; A133-K135 VanDerWaalsContact C-N 3.27Å; A133-K135 PolarHBondContact O-N 3.2Å |
| 136 | A | 74.9 | Confident | 72.5 | Confident | 85 Ų | 85 | 126 Ų | 126 | 70% | 0.702 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79.5 | -28 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K132 A133 | K132-A136 WeakPolarHBondContact O-CB 3.26Å; K132-A136 PolarHBondContact O-N 2.92Å; A133-A136 PolarHBondContact O-N 3.23Å |
| 137 | S | 70.6 | Confident | 70.9 | Confident | 89 Ų | 89 | 132.4 Ų | 132.4 | 62% | 0.622 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -85.1 | -9.9 | 176.6 | 73.9 | 0 | 0 | 0 | 0 | 114 | A133 A134 P139 | A133-S137 PolarHBondContact O-N 3.24Å; A133-S137 PolarHBondContact O-OG 2.86Å; A134-S137 PolarHBondContact O-OG 3.44Å; S137-P139 VanDerWaalsContact O-CD 3.28Å; S137-P139 WeakPolarHBondContact O-CD 3.48Å |
| 138 | I | 64.6 | Low | 69.5 | Low | 109 Ų | 109 | 128.2 Ų | 128.2 | 56% | 0.559 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -69.5 | 116.7 | 168.4 | -69.2 | 160.7 | 0 | 0 | 0 | 106.5 | A134 K140 | A134-I138 VanDerWaalsContact O-CG1 3.27Å; A134-I138 WeakPolarHBondContact O-CG1 3.29Å; A134-I138 PolarHBondContact O-N 3.1Å; I138-K140 PolarHBondContact O-N 3.27Å |
| 139 | P | 57.2 | Low | 68.5 | Low | 113 Ų | 113 | 124.8 Ų | 124.8 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 120.4 | 175.5 | -18.2 | 29.6 | 0 | 0 | 0 | 107.3 | S137 P141 | S137-P139 VanDerWaalsContact O-CD 3.28Å; S137-P139 WeakPolarHBondContact O-CD 3.48Å; P139-P141 WeakPolarHBondContact O-CD 3.09Å; P139-P141 VanDerWaalsContact O-N 3.08Å |
| 140 | K | 60.6 | Low | 67.7 | Low | 191 Ų | 191 | 123.7 Ų | 123.7 | 83% | 0.83 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 123 | 169.3 | -88.5 | 177.1 | 179.4 | 171.2 | 0 | 105.6 | I138 E142 | I138-K140 PolarHBondContact O-N 3.27Å; K140-E142 PolarHBondContact O-N 2.97Å |
| 141 | P | 54.8 | Low | 67.3 | Low | 112 Ų | 112 | 119 Ų | 119 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -56 | 123.5 | 172 | 22.4 | -29.6 | 0 | 0 | 0 | 105.9 | P139 | P139-P141 WeakPolarHBondContact O-CD 3.09Å; P139-P141 VanDerWaalsContact O-N 3.08Å |
| 142 | E | 56.1 | Low | 67 | Low | 172 Ų | 172 | 111.4 Ų | 111.4 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 138.2 | 174.9 | -70.6 | -160.7 | 153.3 | 0 | 0 | 108.1 | K140 K144 | K140-E142 PolarHBondContact O-N 2.97Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 3.41Å |
| 143 | P | 51.8 | Low | 66.8 | Low | 122 Ų | 122 | 108.6 Ų | 108.6 | 79% | 0.792 | 60% | 0.604 | S | S | * | * | trans | -59.9 | 97 | 177.4 | 23.5 | -30.2 | 0 | 0 | 0 | 107.7 | E145 | P143-E145 PolarHBondContact O-N 3.44Š| ||
| 144 | K | 55.2 | Low | 66.7 | Low | 196 Ų | 196 | 108.4 Ų | 108.4 | 85% | 0.852 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 117.5 | 172.8 | -70.2 | -176.5 | 178.9 | -178.4 | 0 | 105.8 | E142 | E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 3.41Å |
| 145 | E | 55.1 | Low | 66.6 | Low | 154 Ų | 154 | 107.7 Ų | 107.7 | 72% | 0.72 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 135.7 | -179.4 | -66.7 | -170.9 | 157 | 0 | 0 | 108.9 | P143 R147 | P143-E145 PolarHBondContact O-N 3.44Å; E145-R147 PolarHBondContact O-N 3.42Å; E145-R147 VanDerWaalsContact O-N 3.16Å |
| 146 | P | 54.9 | Low | 66.1 | Low | 101 Ų | 101 | 110 Ų | 110 | 66% | 0.656 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -54 | 128.5 | 178.3 | 22.3 | -31.3 | 0 | 0 | 0 | 107.8 | T148 | P146-T148 PolarHBondContact O-N 3.3Š|
| 147 | R | 55.7 | Low | 65.6 | Low | 241 Ų | 241 | 112.3 Ų | 112.3 | 91% | 0.909 | 59% | 0.589 | S | S | * | * | trans | -48.4 | 111.8 | 178.6 | -71.1 | -177.9 | 177.2 | -176.4 | -2 | 107.9 | E145 | E145-R147 PolarHBondContact O-N 3.42Å; E145-R147 VanDerWaalsContact O-N 3.16Å | ||
| 148 | T | 62 | Low | 65 | Low | 60 Ų | 60 | 117.8 Ų | 117.8 | 37% | 0.368 | 60% | 0.602 | S | S | . | * | trans | -58.7 | 142.8 | 176.5 | 49 | 0 | 0 | 0 | 0 | 107.9 | P146 | P146-T148 PolarHBondContact O-N 3.3Š| ||
| 149 | S | 68.3 | Low | 64.9 | Low | 33 Ų | 33 | 117.2 Ų | 117.2 | 23% | 0.231 | 61% | 0.613 | C | S | . | * | trans | -55.7 | 146.3 | 171.2 | 61.5 | 0 | 0 | 0 | 0 | 108.4 | S151 V152 Q298 | S149-S151 PolarHBondContact O-N 3.12Å; S149-V152 PolarHBondContact O-N 3.28Å; S149-Q298 PolarHBondContact OG-OE1 2.86Å | ||
| 150 | S | 74.1 | Confident | 65.4 | Low | 128 Ų | 128 | 115.1 Ų | 115.1 | 90% | 0.895 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -12.6 | 179.8 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 151 | S | 79.4 | Confident | 65.7 | Low | 24 Ų | 24 | 109.9 Ų | 109.9 | 17% | 0.168 | 58% | 0.583 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -75.4 | -21.2 | 174 | 172.8 | 0 | 0 | 0 | 0 | 113.6 | S149 I342 H343 | S149-S151 PolarHBondContact O-N 3.12Å; S151-I342 CarbonylContact O-C 3.59Å; S151-I342 WeakPolarHBondContact O-CA 3.33Å; S151-H343 PolarHBondContact O-N 2.63Å; S151-H343 VanDerWaalsContact OG-CA 3.24Å; S151-H343 WeakPolarHBondContact OG-CA 3.11Å; S151-H343 PolarHBondContact OG-CD2 2.93Å; S151-H343 PolarHBondContact OG-CE1 2.71Å; S151-H343 PolarHBondContact OG-N 3.02Å; S151-H343 PolarHBondContact OG-ND1 3.11Å; S151-H343 PolarHBondContact OG-NE2 3.32Å |
| 152 | V | 80.8 | Confident | 66.6 | Low | 5 Ų | 5 | 106 Ų | 106 | 3% | 0.03 | 56% | 0.559 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 116.1 | -175.5 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | S149 D295 V299 T340 F341 I342 | S149-V152 PolarHBondContact O-N 3.28Å; V152-D295 HydrophobicContact CG2-CB 4.42Å; V152-V299 HydrophobicContact CB-CG2 4.44Å; V152-V299 HydrophobicContact CG1-CG2 3.39Å; V152-V299 HydrophobicContact CG2-CG2 4.15Å; V152-T340 HydrophobicContact CG1-CG2 4.21Å; V152-F341 CarbonylContact C-O 3.03Å; V152-F341 WeakPolarHBondContact CA-O 3.35Å; V152-I342 HydrophobicContact CG2-CG1 4.47Å; V152-I342 HydrophobicContact CG2-CG2 4.47Å |
| 153 | V | 83.5 | Confident | 67.8 | Low | 88 Ų | 88 | 101.7 Ų | 101.7 | 53% | 0.533 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 113.7 | 174.1 | -173.6 | 0 | 0 | 0 | 0 | 109 | T340 F341 | V153-T340 WeakPolarHBondContact O-CG2 3.4Å; V153-F341 HydrophobicContact CB-CB 4.16Å; V153-F341 PolarHBondContact N-O 3.05Å; V153-F341 PolarHBondContact O-N 2.96Å |
| 154 | L | 81.9 | Confident | 69.3 | Low | 52 Ų | 52 | 96.8 Ų | 96.8 | 27% | 0.272 | 52% | 0.515 | S | S | . | . | trans | -77.3 | 144.9 | 176.8 | -67.2 | 174.2 | 0 | 0 | 0 | 110.4 | E156 V299 K337 T340 | L154-E156 PolarHBondContact O-N 2.78Å; L154-V299 HydrophobicContact CD2-CG1 4.37Å; L154-K337 HydrophobicContact CD2-CD 3.79Å; L154-K337 VanDerWaalsContact CD2-NZ 3.35Å; L154-T340 HydrophobicContact CD2-CG2 3.83Å | ||
| 155 | P | 78.6 | Confident | 70.4 | Confident | 36 Ų | 36 | 93.3 Ų | 93.3 | 23% | 0.234 | 51% | 0.506 | C | S | . | . | trans | -60.5 | 128.1 | 174.3 | -20.6 | 33.2 | 0 | 0 | 0 | 110.4 | R157 T340 | P155-R157 PolarHBondContact O-N 3.37Å; P155-R157 VanDerWaalsContact O-N 3.13Å; P155-T340 WeakPolarHBondContact CD-OG1 3.26Å | ||
| 156 | E | 67.2 | Low | 72.1 | Confident | 198 Ų | 198 | 89 Ų | 89 | 93% | 0.925 | 49% | 0.49 | S | S | * | . | trans | -67.2 | 111.1 | 174.9 | -66.4 | -173.6 | 175.1 | 0 | 0 | 109.3 | L154 | L154-E156 PolarHBondContact O-N 2.78Š| ||
| 157 | R | 65 | Low | 73.8 | Confident | 134 Ų | 134 | 88 Ų | 88 | 51% | 0.506 | 48% | 0.479 | S | S | . | . | trans | -131.6 | 135.2 | 170.2 | -66.1 | -165 | 179 | 121.7 | -7.7 | 109.9 | P155 E335 L336 | P155-R157 PolarHBondContact O-N 3.37Å; P155-R157 VanDerWaalsContact O-N 3.13Å; R157-E335 PolarHBondContact NH1-O 2.88Å; R157-L336 HydrophobicContact CB-CD1 4.43Å; R157-L336 PolarHBondContact NH1-O 2.88Å; R157-L336 VanDerWaalsContact NH1-O 3.11Å | ||
| 158 | K | 57.9 | Low | 75.5 | Confident | 204 Ų | 204 | 83.4 Ų | 83.4 | 89% | 0.887 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -60.3 | 158.5 | 167 | -62.2 | -178.7 | -179.3 | -179.1 | 0 | 108.6 | Y160 | K158-Y160 PolarHBondContact O-N 2.9Š|
| 159 | A | 63.4 | Low | 77 | Confident | 97 Ų | 97 | 86.2 Ų | 86.2 | 80% | 0.802 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -30.8 | 131.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A161 | A159-A161 PolarHBondContact O-N 3.25Š|
| 160 | Y | 66.8 | Low | 78.2 | Confident | 69 Ų | 69 | 84.7 Ų | 84.7 | 27% | 0.271 | 47% | 0.465 | S | S | . | . | trans | -57.4 | 109.5 | -176.1 | 177.2 | -98.4 | 0 | 0 | 0 | 111.2 | K158 S162 K332 E335 | K158-Y160 PolarHBondContact O-N 2.9Å; Y160-S162 WeakPolarHBondContact CE1-OG 3.31Å; Y160-S162 PolarHBondContact OH-OG 3Å; Y160-K332 HydrophobicContact CD1-CD 4.11Å; Y160-K332 HydrophobicContact CD1-CG 4.39Å; Y160-K332 HydrophobicContact CD2-CG 4.24Å; Y160-K332 HydrophobicContact CE1-CB 4.45Å; Y160-K332 HydrophobicContact CE1-CD 3.92Å; Y160-K332 HydrophobicContact CE1-CG 3.98Å; Y160-K332 HydrophobicContact CE2-CB 4.42Å; Y160-K332 HydrophobicContact CE2-CG 3.84Å; Y160-K332 HydrophobicContact CG-CD 4.49Å; Y160-E335 HydrophobicContact CE2-CB 4.21Å; Y160-E335 WeakPolarHBondContact CE2-OE2 3.24Å; Y160-E335 PolarHBondContact OH-OE2 2.89Å | ||
| 161 | A | 67.7 | Low | 79.1 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 67% | 0.669 | 43% | 0.428 | S | S | * | . | trans | -112.3 | 123.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | A159 S163 | A159-A161 PolarHBondContact O-N 3.25Å; A161-S163 PolarHBondContact O-N 2.92Å | ||
| 162 | S | 74 | Confident | 79.7 | Confident | 31 Ų | 31 | 82.3 Ų | 82.3 | 22% | 0.217 | 44% | 0.44 | C | S | . | . | trans | -59 | 120 | 176.5 | -55.3 | 0 | 0 | 0 | 0 | 108.7 | Y160 D165 | Y160-S162 WeakPolarHBondContact CE1-OG 3.31Å; Y160-S162 PolarHBondContact OH-OG 3Å; S162-D165 WeakPolarHBondContact CB-OD1 3.48Å | ||
| 163 | S | 80.2 | Confident | 80.3 | Confident | 82 Ų | 82 | 83 Ų | 83 | 57% | 0.573 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -93.4 | -16.1 | 174.7 | 60.3 | 0 | 0 | 0 | 0 | 112 | A161 | A161-S163 PolarHBondContact O-N 2.92Š|
| 164 | L | 83.8 | Confident | 80.8 | Confident | 19 Ų | 19 | 78.8 Ų | 78.8 | 10% | 0.099 | 42% | 0.42 | C | S | . | . | trans | -111 | 46.4 | -176.2 | -45.5 | 175.4 | 0 | 0 | 0 | 111.8 | T166 K169 L170 A173 L331 F334 E335 | L164-T166 PolarHBondContact O-N 2.98Å; L164-K169 HydrophobicContact CD2-CB 4.22Å; L164-L170 HydrophobicContact CB-CB 4.3Å; L164-L170 HydrophobicContact CB-CD1 4.43Å; L164-L170 HydrophobicContact CD1-CD1 4.02Å; L164-A173 HydrophobicContact CD1-CB 3.65Å; L164-A173 HydrophobicContact CD2-CB 3.75Å; L164-A173 HydrophobicContact CG-CB 4.37Å; L164-L331 HydrophobicContact CB-CD1 4.47Å; L164-F334 HydrophobicContact CD1-CD1 4.11Å; L164-F334 HydrophobicContact CD1-CE1 3.73Å; L164-E335 WeakPolarHBondContact CB-OE1 3.37Å; L164-E335 HydrophobicContact CD1-CG 3.68Å; L164-E335 HydrophobicContact CG-CG 4.11Å; L164-E335 WeakPolarHBondContact CG-OE1 3.16Å; L164-E335 PolarHBondContact N-OE1 3.49Å | ||
| 165 | D | 78.3 | Confident | 81.4 | Confident | 122 Ų | 122 | 79 Ų | 79 | 65% | 0.652 | 42% | 0.417 | S | S | * | . | trans | -66.5 | -24.6 | 179.2 | -71.3 | -37.6 | 0 | 0 | 0 | 113.3 | S162 | S162-D165 WeakPolarHBondContact CB-OD1 3.48Š| ||
| 166 | T | 90.1 | Very high | 82 | Confident | 65 Ų | 65 | 82.2 Ų | 82.2 | 40% | 0.399 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -96.6 | 139.7 | 178.8 | -42 | 0 | 0 | 0 | 0 | 110.8 | L164 E168 K169 L170 | L164-T166 PolarHBondContact O-N 2.98Å; T166-E168 HydrophobicContact CG2-CB 4.27Å; T166-E168 HydrophobicContact CG2-CG 4.49Å; T166-E168 PolarHBondContact O-N 3.47Å; T166-K169 PolarHBondContact O-N 3.34Å; T166-L170 PolarHBondContact O-N 3.33Å |
| 167 | D | 90.6 | Very high | 83.2 | Confident | 79 Ų | 79 | 74 Ų | 74 | 42% | 0.422 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.4 | -34.7 | 177.3 | -87.5 | 2.4 | 0 | 0 | 0 | 112.8 | L170 L171 L274 R327 | D167-L170 PolarHBondContact O-N 3.18Å; D167-L171 WeakPolarHBondContact O-CB 3.36Å; D167-L171 PolarHBondContact O-N 3.29Å; D167-L274 HydrophobicContact CB-CD1 3.56Å; D167-R327 IonicContact OD1-CZ 3.84Å; D167-R327 IonicContact OD1-NH1 3.73Å; D167-R327 PolarHBondContact OD1-NH1 2.87Å; D167-R327 IonicContact OD1-NH2 3.99Å; D167-R327 PolarHBondContact OD1-NH2 3.4Å; D167-R327 IonicContact OD2-NH1 2.66Å; D167-R327 IonicContact OD2-NH2 3.91Å |
| 168 | E | 92.1 | Very high | 84.5 | Confident | 144 Ų | 144 | 68 Ų | 68 | 67% | 0.673 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.7 | -52.3 | 174.9 | -63.8 | 178 | 173 | 0 | 0 | 111.9 | T166 L170 L171 D172 | T166-E168 HydrophobicContact CG2-CB 4.27Å; T166-E168 HydrophobicContact CG2-CG 4.49Å; T166-E168 PolarHBondContact O-N 3.47Å; E168-L170 VanDerWaalsContact C-N 3.26Å; E168-L170 PolarHBondContact O-N 3Å; E168-L171 WeakPolarHBondContact O-CB 3.15Å; E168-L171 PolarHBondContact O-N 3.05Å; E168-D172 PolarHBondContact O-N 2.73Å |
| 169 | K | 92.7 | Very high | 86 | Confident | 120 Ų | 120 | 59.3 Ų | 59.3 | 52% | 0.522 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 176.7 | -66.8 | -179.6 | 179.5 | 176.3 | 0 | 111.5 | L164 T166 A173 | L164-K169 HydrophobicContact CD2-CB 4.22Å; T166-K169 PolarHBondContact O-N 3.34Å; K169-A173 WeakPolarHBondContact O-CB 3.49Å; K169-A173 PolarHBondContact O-N 3.05Å |
| 170 | L | 93.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 175.4 | 176.4 | 58.9 | 0 | 0 | 0 | 111.5 | L164 T166 D167 E168 A173 I174 L274 M279 R327 L331 F334 F351 | L164-L170 HydrophobicContact CB-CB 4.3Å; L164-L170 HydrophobicContact CB-CD1 4.43Å; L164-L170 HydrophobicContact CD1-CD1 4.02Å; T166-L170 PolarHBondContact O-N 3.33Å; D167-L170 PolarHBondContact O-N 3.18Å; E168-L170 VanDerWaalsContact C-N 3.26Å; E168-L170 PolarHBondContact O-N 3Å; L170-A173 PolarHBondContact O-N 3.31Å; L170-I174 HydrophobicContact CD1-CD1 4.02Å; L170-I174 HydrophobicContact CD1-CG1 4.29Å; L170-I174 HydrophobicContact CG-CD1 3.95Å; L170-I174 VanDerWaalsContact O-CG1 3.25Å; L170-I174 WeakPolarHBondContact O-CG1 3.33Å; L170-I174 PolarHBondContact O-N 3.04Å; L170-L274 HydrophobicContact CD2-CD2 4.32Å; L170-L274 HydrophobicContact CG-CD2 4.29Å; L170-M279 HydrophobicContact CD2-SD 4.49Å; L170-R327 VanDerWaalsContact CD2-NH2 3.34Å; L170-L331 HydrophobicContact CD1-CD1 3.43Å; L170-L331 VanDerWaalsContact CD1-CD1 3.43Å; L170-L331 HydrophobicContact CD2-CD1 4.15Å; L170-L331 HydrophobicContact CG-CD1 4.37Å; L170-F334 HydrophobicContact CD1-CD1 4.26Å; L170-F334 HydrophobicContact CD1-CE1 3.98Å; L170-F351 HydrophobicContact CD1-CE2 3.92Å |
| 171 | L | 93.5 | Very high | 88.4 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 12% | 0.12 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 179.1 | -176.1 | 58 | 0 | 0 | 0 | 111.2 | D167 E168 I174 R175 L274 | D167-L171 WeakPolarHBondContact O-CB 3.36Å; D167-L171 PolarHBondContact O-N 3.29Å; E168-L171 WeakPolarHBondContact O-CB 3.15Å; E168-L171 PolarHBondContact O-N 3.05Å; L171-I174 WeakPolarHBondContact O-CB 3.29Å; L171-I174 PolarHBondContact O-N 2.93Å; L171-R175 HydrophobicContact CD1-CG 4.44Å; L171-R175 WeakPolarHBondContact O-CB 3.39Å; L171-R175 VanDerWaalsContact O-CG 3.27Å; L171-R175 WeakPolarHBondContact O-CG 3.4Å; L171-R175 PolarHBondContact O-N 3.29Å; L171-L274 HydrophobicContact CB-CD2 3.94Å; L171-L274 HydrophobicContact CB-CG 4.07Å; L171-L274 HydrophobicContact CD1-CD2 3.88Å; L171-L274 HydrophobicContact CD1-CG 4.04Å; L171-L274 HydrophobicContact CD2-CG 4.47Å; L171-L274 HydrophobicContact CG-CD2 4.46Å; L171-L274 HydrophobicContact CG-CG 4.42Å |
| 172 | D | 93.3 | Very high | 89.4 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 42% | 0.422 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176.6 | -69 | -19.9 | 0 | 0 | 0 | 111.5 | E168 I174 R175 N176 | E168-D172 PolarHBondContact O-N 2.73Å; D172-I174 VanDerWaalsContact C-N 3.33Å; D172-I174 PolarHBondContact O-N 2.89Å; D172-R175 PolarHBondContact O-N 3.11Å; D172-R175 IonicContact OD1-NH1 3.98Å; D172-N176 VanDerWaalsContact O-CB 3.3Å; D172-N176 WeakPolarHBondContact O-CB 3.42Å; D172-N176 PolarHBondContact O-N 2.89Å; D172-N176 PolarHBondContact O-ND2 3.12Å |
| 173 | A | 93.3 | Very high | 90.2 | Very high | 18 Ų | 18 | 56.6 Ų | 56.6 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L164 K169 L170 R177 F334 | L164-A173 HydrophobicContact CD1-CB 3.65Å; L164-A173 HydrophobicContact CD2-CB 3.75Å; L164-A173 HydrophobicContact CG-CB 4.37Å; K169-A173 WeakPolarHBondContact O-CB 3.49Å; K169-A173 PolarHBondContact O-N 3.05Å; L170-A173 PolarHBondContact O-N 3.31Å; A173-R177 WeakPolarHBondContact O-CB 3.32Å; A173-R177 VanDerWaalsContact O-CG 3.28Å; A173-R177 WeakPolarHBondContact O-CG 3.47Å; A173-R177 PolarHBondContact O-N 3.22Å; A173-R177 VanDerWaalsContact O-N 3.14Å; A173-F334 HydrophobicContact CB-CE1 4.39Å |
| 174 | I | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -47.5 | 174.7 | -72.3 | 167 | 0 | 0 | 0 | 110.6 | L170 L171 D172 R177 L178 L274 F277 F334 M350 F351 | L170-I174 HydrophobicContact CD1-CD1 4.02Å; L170-I174 HydrophobicContact CD1-CG1 4.29Å; L170-I174 HydrophobicContact CG-CD1 3.95Å; L170-I174 VanDerWaalsContact O-CG1 3.25Å; L170-I174 WeakPolarHBondContact O-CG1 3.33Å; L170-I174 PolarHBondContact O-N 3.04Å; L171-I174 WeakPolarHBondContact O-CB 3.29Å; L171-I174 PolarHBondContact O-N 2.93Å; D172-I174 VanDerWaalsContact C-N 3.33Å; D172-I174 PolarHBondContact O-N 2.89Å; I174-R177 PolarHBondContact O-N 3.4Å; I174-L178 HydrophobicContact CG2-CD1 4.37Å; I174-L178 WeakPolarHBondContact O-CG 3.38Å; I174-L178 PolarHBondContact O-N 3.49Å; I174-L274 HydrophobicContact CD1-CD2 3.95Å; I174-F277 HydrophobicContact CG2-CD1 4.41Å; I174-F277 HydrophobicContact CG2-CD2 4.32Å; I174-F277 HydrophobicContact CG2-CE1 3.77Å; I174-F277 HydrophobicContact CG2-CE2 3.69Å; I174-F277 HydrophobicContact CG2-CZ 3.38Å; I174-F334 HydrophobicContact CG1-CE1 4.38Å; I174-F334 HydrophobicContact CG1-CE2 4.12Å; I174-F334 HydrophobicContact CG1-CZ 3.66Å; I174-M350 HydrophobicContact CB-SD 4.47Å; I174-M350 HydrophobicContact CG2-SD 3.81Å; I174-F351 HydrophobicContact CD1-CD2 3.55Å; I174-F351 HydrophobicContact CD1-CE2 4.08Å; I174-F351 HydrophobicContact CD1-CG 4.41Å; I174-F351 HydrophobicContact CG1-CD2 3.91Å; I174-F351 HydrophobicContact CG1-CE2 4.45Å |
| 175 | R | 93.3 | Very high | 91 | Very high | 56 Ų | 56 | 53.1 Ų | 53.1 | 21% | 0.211 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.4 | -49 | -180 | -72.5 | 173.9 | 173.8 | 164.2 | -9.8 | 111.5 | L171 D172 R177 L178 V179 P269 L270 R272 | L171-R175 HydrophobicContact CD1-CG 4.44Å; L171-R175 WeakPolarHBondContact O-CB 3.39Å; L171-R175 VanDerWaalsContact O-CG 3.27Å; L171-R175 WeakPolarHBondContact O-CG 3.4Å; L171-R175 PolarHBondContact O-N 3.29Å; D172-R175 PolarHBondContact O-N 3.11Å; D172-R175 IonicContact OD1-NH1 3.98Å; R175-R177 VanDerWaalsContact C-N 3.35Å; R175-R177 PolarHBondContact O-N 2.94Å; R175-L178 WeakPolarHBondContact O-CB 3.35Å; R175-L178 PolarHBondContact O-N 3.19Å; R175-L178 VanDerWaalsContact O-N 3.08Å; R175-V179 WeakPolarHBondContact O-CG2 3.48Å; R175-V179 PolarHBondContact O-N 3.32Å; R175-P269 WeakPolarHBondContact CG-O 3.2Å; R175-L270 HydrophobicContact CB-CD2 4.43Å; R175-L270 VanDerWaalsContact CZ-O 3.28Å; R175-L270 PolarHBondContact NE-O 3.29Å; R175-L270 VanDerWaalsContact NE-O 3.08Å; R175-L270 PolarHBondContact NH2-O 3.12Å; R175-R272 PolarHBondContact NE-O 3.29Å; R175-R272 VanDerWaalsContact NE-O 3.09Å; R175-R272 PolarHBondContact NH2-O 2.85Å |
| 176 | N | 92.8 | Very high | 91.7 | Very high | 104 Ų | 104 | 47.3 Ų | 47.3 | 56% | 0.556 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -58.5 | -45.6 | 178.9 | -70.6 | -18.4 | 0 | 0 | 0 | 111.6 | D172 L178 V179 E180 | D172-N176 VanDerWaalsContact O-CB 3.3Å; D172-N176 WeakPolarHBondContact O-CB 3.42Å; D172-N176 PolarHBondContact O-N 2.89Å; D172-N176 PolarHBondContact O-ND2 3.12Å; N176-L178 VanDerWaalsContact C-N 3.32Å; N176-L178 PolarHBondContact O-N 2.95Å; N176-V179 PolarHBondContact O-N 3.28Å; N176-E180 WeakPolarHBondContact O-CB 3.06Å; N176-E180 PolarHBondContact O-N 2.8Å |
| 177 | R | 92.4 | Very high | 91.7 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 10% | 0.102 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.7 | -32.4 | 176.2 | -73.9 | -179.7 | -164.6 | -171 | 2.8 | 113.3 | A173 I174 R175 M181 F334 V349 M350 | A173-R177 WeakPolarHBondContact O-CB 3.32Å; A173-R177 VanDerWaalsContact O-CG 3.28Å; A173-R177 WeakPolarHBondContact O-CG 3.47Å; A173-R177 PolarHBondContact O-N 3.22Å; A173-R177 VanDerWaalsContact O-N 3.14Å; I174-R177 PolarHBondContact O-N 3.4Å; R175-R177 VanDerWaalsContact C-N 3.35Å; R175-R177 PolarHBondContact O-N 2.94Å; R177-M181 VanDerWaalsContact O-CB 3.26Å; R177-M181 WeakPolarHBondContact O-CB 3.35Å; R177-M181 PolarHBondContact O-N 3.04Å; R177-F334 VanDerWaalsContact CZ-CE1 3.48Å; R177-F334 PolarHBondContact NH1-O 2.94Å; R177-F334 PolarHBondContact NH2-O 3.08Å; R177-F334 VanDerWaalsContact NH2-O 3.12Å; R177-V349 PolarHBondContact NH1-O 2.82Å; R177-M350 HydrophobicContact CB-CE 3.44Å; R177-M350 VanDerWaalsContact CB-CE 3.44Å |
| 178 | L | 90.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -46.9 | 172.9 | -76.8 | 174.2 | 0 | 0 | 0 | 110.7 | I174 R175 N176 M181 Y182 P269 F277 M350 | I174-L178 HydrophobicContact CG2-CD1 4.37Å; I174-L178 WeakPolarHBondContact O-CG 3.38Å; I174-L178 PolarHBondContact O-N 3.49Å; R175-L178 WeakPolarHBondContact O-CB 3.35Å; R175-L178 PolarHBondContact O-N 3.19Å; R175-L178 VanDerWaalsContact O-N 3.08Å; N176-L178 VanDerWaalsContact C-N 3.32Å; N176-L178 PolarHBondContact O-N 2.95Å; L178-M181 HydrophobicContact CD2-CE 3.78Å; L178-M181 PolarHBondContact O-N 3.3Å; L178-Y182 HydrophobicContact CB-CE2 4.32Å; L178-Y182 HydrophobicContact CD2-CE2 4.49Å; L178-Y182 WeakPolarHBondContact O-CD2 3.49Å; L178-Y182 PolarHBondContact O-N 3.07Å; L178-P269 HydrophobicContact CB-CB 3.85Å; L178-P269 HydrophobicContact CB-CG 4.46Å; L178-P269 HydrophobicContact CD1-CB 4.23Å; L178-F277 HydrophobicContact CD1-CE1 4.19Å; L178-F277 HydrophobicContact CD1-CZ 3.86Å; L178-M350 HydrophobicContact CD2-CE 3.88Å; L178-M350 HydrophobicContact CD2-CG 4.24Å; L178-M350 HydrophobicContact CD2-SD 4.26Å; L178-M350 HydrophobicContact CG-CE 3.74Å; L178-M350 HydrophobicContact CG-SD 4.18Å |
| 179 | V | 90.7 | Very high | 91.5 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58 | -50.8 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | R175 N176 M181 Y182 Q183 L255 P269 L270 | R175-V179 WeakPolarHBondContact O-CG2 3.48Å; R175-V179 PolarHBondContact O-N 3.32Å; N176-V179 PolarHBondContact O-N 3.28Å; V179-M181 VanDerWaalsContact C-N 3.33Å; V179-M181 PolarHBondContact O-N 2.85Å; V179-Y182 PolarHBondContact O-N 2.95Å; V179-Q183 HydrophobicContact CG1-CG 4.49Å; V179-Q183 WeakPolarHBondContact O-CG 3.43Å; V179-Q183 PolarHBondContact O-N 2.82Å; V179-L255 HydrophobicContact CB-CD2 4.34Å; V179-L255 HydrophobicContact CG1-CD2 4.25Å; V179-L255 HydrophobicContact CG2-CD2 3.95Å; V179-P269 HydrophobicContact CG2-CB 4.29Å; V179-L270 HydrophobicContact CG2-CD2 3.96Å; V179-L270 HydrophobicContact CG2-CG 4.38Å |
| 180 | E | 90.5 | Very high | 91.2 | Very high | 67 Ų | 67 | 33.3 Ų | 33.3 | 31% | 0.313 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -56 | -46.7 | 176.9 | -171.4 | -164.8 | 148.1 | 0 | 0 | 111.5 | N176 Y182 Q183 H184 Y348 | N176-E180 WeakPolarHBondContact O-CB 3.06Å; N176-E180 PolarHBondContact O-N 2.8Å; E180-Y182 VanDerWaalsContact C-N 3.3Å; E180-Y182 PolarHBondContact O-N 2.86Å; E180-Q183 PolarHBondContact O-N 3.4Å; E180-H184 PolarHBondContact O-N 3.09Å; E180-H184 IonicContact OE1-CE1 2.98Å; E180-Y348 HydrophobicContact CG-CE1 4.49Å; E180-Y348 PolarHBondContact OE1-OH 3.04Å |
| 181 | M | 89.7 | Confident | 90.9 | Very high | 17 Ų | 17 | 33.5 Ų | 33.5 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.3 | -38.7 | 177 | 179.7 | -166.5 | 60.8 | 0 | 0 | 112.4 | R177 L178 V179 H184 T185 L285 Y348 | R177-M181 VanDerWaalsContact O-CB 3.26Å; R177-M181 WeakPolarHBondContact O-CB 3.35Å; R177-M181 PolarHBondContact O-N 3.04Å; L178-M181 HydrophobicContact CD2-CE 3.78Å; L178-M181 PolarHBondContact O-N 3.3Å; V179-M181 VanDerWaalsContact C-N 3.33Å; V179-M181 PolarHBondContact O-N 2.85Å; M181-H184 PolarHBondContact O-N 3.23Å; M181-T185 PolarHBondContact O-N 3.15Å; M181-T185 PolarHBondContact O-OG1 2.6Å; M181-L285 HydrophobicContact SD-CD1 3.69Å; M181-Y348 HydrophobicContact CB-CD1 4.25Å; M181-Y348 HydrophobicContact CB-CE1 4.28Å |
| 182 | Y | 88.4 | Confident | 90.3 | Very high | 46 Ų | 46 | 33.8 Ų | 33.8 | 18% | 0.18 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70 | -39.3 | 178.1 | -74.9 | -59.9 | 0 | 0 | 0 | 112 | L178 V179 E180 H184 T185 C253 L255 P269 | L178-Y182 HydrophobicContact CB-CE2 4.32Å; L178-Y182 HydrophobicContact CD2-CE2 4.49Å; L178-Y182 WeakPolarHBondContact O-CD2 3.49Å; L178-Y182 PolarHBondContact O-N 3.07Å; V179-Y182 PolarHBondContact O-N 2.95Å; E180-Y182 VanDerWaalsContact C-N 3.3Å; E180-Y182 PolarHBondContact O-N 2.86Å; Y182-H184 PolarHBondContact O-N 3.37Å; Y182-T185 PolarHBondContact O-N 3.12Å; Y182-C253 HydrophobicContact CD1-CB 3.74Å; Y182-C253 HydrophobicContact CG-CB 4.47Å; Y182-L255 HydrophobicContact CD2-CD2 4.35Å; Y182-P269 HydrophobicContact CD2-CG 3.56Å; Y182-P269 HydrophobicContact CE2-CB 4.33Å; Y182-P269 HydrophobicContact CE2-CG 3.31Å |
| 183 | Q | 90 | Very high | 89.7 | Confident | 91 Ų | 91 | 40 Ų | 40 | 43% | 0.425 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.5 | -22.6 | 174.9 | -70.4 | 172.4 | -16.6 | 0 | 0 | 113.4 | V179 E180 H228 | V179-Q183 HydrophobicContact CG1-CG 4.49Å; V179-Q183 WeakPolarHBondContact O-CG 3.43Å; V179-Q183 PolarHBondContact O-N 2.82Å; E180-Q183 PolarHBondContact O-N 3.4Å; Q183-H228 PolarHBondContact O-ND1 3.09Å |
| 184 | H | 91 | Very high | 89 | Confident | 23 Ų | 23 | 46.4 Ų | 46.4 | 11% | 0.106 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 7.9 | 176.6 | -60 | 168.2 | 0 | 0 | 0 | 113.7 | E180 M181 Y182 K224 F225 H228 L231 Y348 | E180-H184 PolarHBondContact O-N 3.09Å; E180-H184 IonicContact OE1-CE1 2.98Å; M181-H184 PolarHBondContact O-N 3.23Å; Y182-H184 PolarHBondContact O-N 3.37Å; H184-K224 WeakPolarHBondContact O-CA 3.49Å; H184-F225 PolarHBondContact O-N 2.56Å; H184-H228 PolarHBondContact CD2-N 3.5Å; H184-L231 VanDerWaalsContact C-CD1 3.42Å; H184-Y348 PolarHBondContact ND1-OH 3.48Å |
| 185 | T | 91.5 | Very high | 88.5 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.8 | -179.8 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | M181 Y182 F222 A223 K224 L231 C253 | M181-T185 PolarHBondContact O-N 3.15Å; M181-T185 PolarHBondContact O-OG1 2.6Å; Y182-T185 PolarHBondContact O-N 3.12Å; T185-F222 HydrophobicContact CG2-CB 3.87Å; T185-F222 HydrophobicContact CG2-CD1 4.05Å; T185-F222 HydrophobicContact CG2-CG 4.4Å; T185-A223 CarbonylContact C-O 3.47Å; T185-A223 WeakPolarHBondContact CA-O 3.38Å; T185-K224 HydrophobicContact CG2-CG 4.03Å; T185-L231 VanDerWaalsContact C-CD1 3.46Å; T185-C253 WeakPolarHBondContact CG2-SG 3.46Å; T185-C253 WeakPolarHBondContact O-CB 3.34Å; T185-C253 PolarHBondContact O-N 2.91Å; T185-C253 PolarHBondContact O-SG 2.79Å |
| 186 | L | 91.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.7 | 174.3 | -167.6 | 70.6 | 0 | 0 | 0 | 110.3 | F204 F222 A223 F225 L231 Q235 T250 | L186-F204 HydrophobicContact CD2-CE1 3.7Å; L186-F204 HydrophobicContact CD2-CZ 3.95Å; L186-F222 CarbonylContact O-C 3.5Å; L186-F222 VanDerWaalsContact O-CA 3.32Å; L186-F222 WeakPolarHBondContact O-CA 3.39Å; L186-A223 PolarHBondContact N-O 2.85Å; L186-A223 PolarHBondContact O-N 2.9Å; L186-F225 HydrophobicContact CB-CD2 4.44Å; L186-F225 HydrophobicContact CB-CE2 3.77Å; L186-F225 HydrophobicContact CD2-CE2 4.15Å; L186-F225 HydrophobicContact CD2-CZ 4.47Å; L186-L231 HydrophobicContact CB-CD1 4.09Å; L186-L231 HydrophobicContact CB-CG 4.26Å; L186-L231 HydrophobicContact CD1-CD2 4.12Å; L186-L231 HydrophobicContact CD1-CG 4.38Å; L186-Q235 HydrophobicContact CD1-CB 4.2Å; L186-Q235 HydrophobicContact CD1-CG 4.1Å; L186-T250 HydrophobicContact CD2-CG2 3.91Å; L186-T250 HydrophobicContact CG-CG2 4.45Å |
| 187 | T | 90.4 | Very high | 87.8 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 137.6 | 167.9 | 72.8 | 0 | 0 | 0 | 0 | 110.3 | A221 F222 T250 E251 C253 | T187-A221 WeakPolarHBondContact CA-O 3.39Å; T187-F222 HydrophobicContact CG2-CD1 3.81Å; T187-F222 HydrophobicContact CG2-CE1 3.63Å; T187-T250 WeakPolarHBondContact O-CA 3.43Å; T187-E251 WeakPolarHBondContact CA-O 3.48Å; T187-E251 PolarHBondContact N-O 3.47Å; T187-E251 PolarHBondContact O-N 3.26Å; T187-E251 WeakPolarHBondContact OG1-CB 3.26Å; T187-E251 PolarHBondContact OG1-O 2.76Å; T187-C253 HydrophobicContact CG2-CB 4.3Å; T187-C253 WeakPolarHBondContact CG2-SG 3.35Å |
| 188 | I | 90.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120.8 | -175.7 | -56.5 | 156.6 | 0 | 0 | 0 | 108 | L191 I200 F204 F220 A221 A223 I248 T250 | I188-L191 HydrophobicContact CG2-CD2 3.83Å; I188-L191 HydrophobicContact CG2-CG 4.4Å; I188-I200 HydrophobicContact CD1-CG2 3.65Å; I188-F204 HydrophobicContact CD1-CD2 3.74Å; I188-F204 HydrophobicContact CD1-CE2 3.25Å; I188-F204 HydrophobicContact CD1-CZ 3.96Å; I188-F204 HydrophobicContact CG1-CE2 3.75Å; I188-F204 HydrophobicContact CG1-CZ 4Å; I188-F204 HydrophobicContact CG2-CE2 4.43Å; I188-F220 CarbonylContact O-C 3.58Å; I188-F220 WeakPolarHBondContact O-CA 3.41Å; I188-F220 WeakPolarHBondContact O-CB 3.18Å; I188-A221 HydrophobicContact CD1-CB 4.47Å; I188-A221 PolarHBondContact N-O 3.45Å; I188-A221 PolarHBondContact O-N 3.42Å; I188-A223 HydrophobicContact CD1-CB 3.67Å; I188-I248 HydrophobicContact CG2-CG2 3.48Å; I188-I248 VanDerWaalsContact CG2-CG2 3.48Å; I188-T250 HydrophobicContact CG1-CG2 4.39Å |
| 189 | R | 88.1 | Confident | 87.4 | Confident | 76 Ų | 76 | 45.6 Ų | 45.6 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 154.3 | 179.9 | -52.2 | -161.5 | -179.9 | 104.2 | -1.6 | 110.6 | F220 I248 K249 E251 | R189-F220 HydrophobicContact CG-CB 3.6Å; R189-I248 CarbonylContact O-C 3.49Å; R189-K249 PolarHBondContact N-O 3.18Å; R189-K249 CarbonylContact O-C 3.58Å; R189-K249 VanDerWaalsContact O-CA 3.29Å; R189-K249 WeakPolarHBondContact O-CA 3.4Å; R189-K249 WeakPolarHBondContact O-CB 3.47Å; R189-K249 PolarHBondContact O-N 2.87Å; R189-E251 IonicContact NH1-OE2 2.67Å; R189-E251 PolarHBondContact NH1-OE2 3.36Å; R189-E251 VanDerWaalsContact NH1-OE2 3.09Å |
| 190 | P | 86.8 | Confident | 87.4 | Confident | 29 Ų | 29 | 44.6 Ų | 44.6 | 19% | 0.188 | 22% | 0.221 | C | C | . | . | S | Bend | cis | -78.2 | 142.9 | -19.6 | 33.2 | -30.4 | 0 | 0 | 0 | 110.4 | R219 K246 E247 | P190-R219 WeakPolarHBondContact CA-O 3.46Å; P190-K246 HydrophobicContact CG-CB 4.03Å; P190-K246 HydrophobicContact CG-CD 4.19Å; P190-E247 VanDerWaalsContact CD-O 3.27Å; P190-E247 WeakPolarHBondContact CD-O 3.38Å |
| 191 | L | 85.5 | Confident | 87.3 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -100.5 | 148.7 | 169.4 | -65.9 | -178.9 | 0 | 0 | 0 | 112 | I188 C195 I200 R219 A221 L243 | I188-L191 HydrophobicContact CG2-CD2 3.83Å; I188-L191 HydrophobicContact CG2-CG 4.4Å; L191-C195 HydrophobicContact CB-CB 4.33Å; L191-I200 HydrophobicContact CD1-CD1 3.58Å; L191-I200 HydrophobicContact CD2-CD1 4.39Å; L191-R219 PolarHBondContact N-O 3.14Å; L191-A221 HydrophobicContact CD1-CB 3.34Å; L191-L243 HydrophobicContact CD2-CD2 3.52Å |
| 192 | P | 82.7 | Confident | 87.2 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -55.7 | 150.1 | 166.4 | -23.7 | 33 | 0 | 0 | 0 | 111.8 | N194 C195 L243 N244 | P192-N194 PolarHBondContact O-N 2.76Å; P192-C195 HydrophobicContact CB-CB 4.33Å; P192-C195 HydrophobicContact CG-CB 4.48Å; P192-C195 PolarHBondContact O-N 2.83Å; P192-L243 VanDerWaalsContact CD-CD2 3.48Å; P192-L243 HydrophobicContact CG-CD2 4.16Å; P192-L243 HydrophobicContact CG-CG 4.1Å; P192-N244 HydrophobicContact CG-CB 4.21Å |
| 193 | R | 79.1 | Confident | 87.3 | Confident | 209 Ų | 209 | 46.8 Ų | 46.8 | 79% | 0.789 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -35.1 | 179.3 | -69.8 | -174.5 | -178.4 | -132.5 | 6.2 | 112.6 | ||
| 194 | N | 80.1 | Confident | 87.3 | Confident | 154 Ų | 154 | 42.6 Ų | 42.6 | 82% | 0.824 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | 58.1 | 179 | -165 | 22.4 | 0 | 0 | 0 | 110.4 | P192 P196 | P192-N194 PolarHBondContact O-N 2.76Å; N194-P196 WeakPolarHBondContact O-CD 3.43Å |
| 195 | C | 82.4 | Confident | 87.2 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 10% | 0.095 | 25% | 0.246 | C | C | . | . | trans | -85.3 | 115.4 | 175.6 | -169.1 | 0 | 0 | 0 | 0 | 109.4 | L191 P192 I212 | L191-C195 HydrophobicContact CB-CB 4.33Å; P192-C195 HydrophobicContact CB-CB 4.33Å; P192-C195 HydrophobicContact CG-CB 4.48Å; P192-C195 PolarHBondContact O-N 2.83Å; C195-I212 WeakPolarHBondContact O-CD1 3.45Å | ||
| 196 | P | 85.5 | Confident | 87.2 | Confident | 65 Ų | 65 | 49.1 Ų | 49.1 | 42% | 0.422 | 26% | 0.262 | S | S | . | . | trans | -70.3 | 148 | 175.8 | 30.7 | -34 | 0 | 0 | 0 | 110.3 | N194 S198 L199 | N194-P196 WeakPolarHBondContact O-CD 3.43Å; P196-S198 PolarHBondContact O-N 3.32Å; P196-L199 HydrophobicContact CG-CB 3.9Å; P196-L199 PolarHBondContact O-N 2.97Å | ||
| 197 | V | 86.7 | Confident | 87.1 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -27.3 | 179.5 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | I200 K201 V210 I212 Y311 | V197-I200 PolarHBondContact O-N 3.5Å; V197-K201 HydrophobicContact CG1-CD 4.44Å; V197-K201 PolarHBondContact O-N 2.73Å; V197-K201 VanDerWaalsContact O-N 3.08Å; V197-V210 HydrophobicContact CG1-CB 4.06Å; V197-V210 HydrophobicContact CG1-CG1 4.18Å; V197-I212 HydrophobicContact CG2-CD1 3.74Å; V197-I212 HydrophobicContact CG2-CG1 4.09Å; V197-Y311 HydrophobicContact CG2-CE1 4.03Å |
| 198 | S | 86.9 | Confident | 87 | Confident | 66 Ų | 66 | 49.4 Ų | 49.4 | 46% | 0.462 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 175 | 47.6 | 0 | 0 | 0 | 0 | 111.8 | P196 I200 K201 D202 | P196-S198 PolarHBondContact O-N 3.32Å; S198-I200 PolarHBondContact O-N 3Å; S198-K201 CarbonylContact O-C 3.58Å; S198-K201 WeakPolarHBondContact O-CA 3.22Å; S198-K201 WeakPolarHBondContact O-CB 2.81Å; S198-K201 PolarHBondContact O-N 3.4Å; S198-D202 PolarHBondContact O-N 3.31Å |
| 199 | L | 88 | Confident | 86.9 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -37.3 | -179.3 | -176.3 | 62 | 0 | 0 | 0 | 112.4 | P196 D202 L203 L243 F463 | P196-L199 HydrophobicContact CG-CB 3.9Å; P196-L199 PolarHBondContact O-N 2.97Å; L199-D202 PolarHBondContact O-N 3.32Å; L199-L203 WeakPolarHBondContact O-CG 2.9Å; L199-L203 PolarHBondContact O-N 3.36Å; L199-L203 VanDerWaalsContact O-N 3.1Å; L199-L243 HydrophobicContact CD2-CD1 3.82Å; L199-L243 HydrophobicContact CG-CD1 4.38Å; L199-F463 HydrophobicContact CD1-CZ 4.19Å |
| 200 | I | 89.2 | Confident | 87 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.8 | -36.5 | 176.2 | -53.9 | 176.6 | 0 | 0 | 0 | 111 | I188 L191 V197 S198 D202 L203 F204 V210 I212 A221 | I188-I200 HydrophobicContact CD1-CG2 3.65Å; L191-I200 HydrophobicContact CD1-CD1 3.58Å; L191-I200 HydrophobicContact CD2-CD1 4.39Å; V197-I200 PolarHBondContact O-N 3.5Å; S198-I200 PolarHBondContact O-N 3Å; I200-D202 VanDerWaalsContact C-N 3.28Å; I200-D202 PolarHBondContact O-N 2.83Å; I200-L203 WeakPolarHBondContact O-CB 3.18Å; I200-L203 PolarHBondContact O-N 2.86Å; I200-F204 HydrophobicContact CG2-CD2 3.85Å; I200-F204 HydrophobicContact CG2-CE2 4.31Å; I200-F204 WeakPolarHBondContact O-CD2 3.35Å; I200-F204 PolarHBondContact O-N 2.91Å; I200-V210 HydrophobicContact CB-CG1 3.8Å; I200-V210 HydrophobicContact CD1-CG1 4.07Å; I200-V210 HydrophobicContact CG2-CB 4.39Å; I200-V210 HydrophobicContact CG2-CG1 3.46Å; I200-V210 VanDerWaalsContact CG2-CG1 3.46Å; I200-V210 HydrophobicContact CG2-CG2 4.04Å; I200-I212 HydrophobicContact CD1-CD1 3.61Å; I200-I212 HydrophobicContact CD1-CG1 3.82Å; I200-A221 HydrophobicContact CD1-CB 3.6Å |
| 201 | K | 88.6 | Confident | 87 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -35 | 172.7 | -80.6 | 175.5 | 161.4 | -87.6 | 0 | 111.9 | V197 S198 L203 F204 P205 V210 | V197-K201 HydrophobicContact CG1-CD 4.44Å; V197-K201 PolarHBondContact O-N 2.73Å; V197-K201 VanDerWaalsContact O-N 3.08Å; S198-K201 CarbonylContact O-C 3.58Å; S198-K201 WeakPolarHBondContact O-CA 3.22Å; S198-K201 WeakPolarHBondContact O-CB 2.81Å; S198-K201 PolarHBondContact O-N 3.4Å; K201-L203 VanDerWaalsContact C-N 3.34Å; K201-F204 CarbonylContact O-C 3.59Å; K201-F204 PolarHBondContact O-N 3.08Å; K201-P205 WeakPolarHBondContact O-CA 3.09Å; K201-P205 VanDerWaalsContact O-N 3.15Å; K201-V210 HydrophobicContact CG-CB 4.32Å; K201-V210 HydrophobicContact CG-CG2 3.84Å |
| 202 | D | 88.8 | Confident | 87.1 | Confident | 110 Ų | 110 | 51 Ų | 51 | 59% | 0.588 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.3 | -34.8 | 176.1 | -58.7 | -26.8 | 0 | 0 | 0 | 111.4 | S198 L199 I200 | S198-D202 PolarHBondContact O-N 3.31Å; L199-D202 PolarHBondContact O-N 3.32Å; I200-D202 VanDerWaalsContact C-N 3.28Å; I200-D202 PolarHBondContact O-N 2.83Å |
| 203 | L | 88.9 | Confident | 87.1 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.7 | -34.9 | 171.6 | -73.2 | 170.3 | 0 | 0 | 0 | 113 | L199 I200 K201 P205 K241 I248 F463 | L199-L203 WeakPolarHBondContact O-CG 2.9Å; L199-L203 PolarHBondContact O-N 3.36Å; L199-L203 VanDerWaalsContact O-N 3.1Å; I200-L203 WeakPolarHBondContact O-CB 3.18Å; I200-L203 PolarHBondContact O-N 2.86Å; K201-L203 VanDerWaalsContact C-N 3.34Å; L203-P205 VanDerWaalsContact C-CD 3.48Å; L203-P205 WeakPolarHBondContact O-CD 3.48Å; L203-K241 HydrophobicContact CD2-CD 4.3Å; L203-I248 HydrophobicContact CD1-CD1 3.8Å; L203-I248 HydrophobicContact CD2-CD1 4.44Å; L203-F463 HydrophobicContact CD2-CE1 3.78Å; L203-F463 HydrophobicContact CD2-CZ 3.93Å |
| 204 | F | 91 | Very high | 86.8 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | trans | -124.6 | 71.1 | -176.8 | -61.4 | -75 | 0 | 0 | 0 | 111 | L186 I188 I200 K201 S206 S207 A223 F225 A234 V238 T250 | L186-F204 HydrophobicContact CD2-CE1 3.7Å; L186-F204 HydrophobicContact CD2-CZ 3.95Å; I188-F204 HydrophobicContact CD1-CD2 3.74Å; I188-F204 HydrophobicContact CD1-CE2 3.25Å; I188-F204 HydrophobicContact CD1-CZ 3.96Å; I188-F204 HydrophobicContact CG1-CE2 3.75Å; I188-F204 HydrophobicContact CG1-CZ 4Å; I188-F204 HydrophobicContact CG2-CE2 4.43Å; I200-F204 HydrophobicContact CG2-CD2 3.85Å; I200-F204 HydrophobicContact CG2-CE2 4.31Å; I200-F204 WeakPolarHBondContact O-CD2 3.35Å; I200-F204 PolarHBondContact O-N 2.91Å; K201-F204 CarbonylContact O-C 3.59Å; K201-F204 PolarHBondContact O-N 3.08Å; F204-S206 PolarHBondContact O-N 3.09Å; F204-S207 VanDerWaalsContact O-CB 3.26Å; F204-S207 WeakPolarHBondContact O-CB 3.33Å; F204-S207 PolarHBondContact O-N 2.67Å; F204-S207 PolarHBondContact O-OG 2.95Å; F204-A223 HydrophobicContact CD2-CB 4.36Å; F204-A223 HydrophobicContact CG-CB 4.43Å; F204-F225 HydrophobicContact CB-CE1 4.43Å; F204-F225 HydrophobicContact CB-CZ 4.18Å; F204-F225 HydrophobicContact CD1-CE1 4.37Å; F204-F225 AromaticContact CD1-CZ 3.71Å; F204-F225 HydrophobicContact CD1-CZ 3.71Å; F204-F225 HydrophobicContact CE1-CZ 4.39Å; F204-F225 HydrophobicContact CG-CZ 4.17Å; F204-A234 HydrophobicContact CD1-CB 3.94Å; F204-A234 HydrophobicContact CE1-CB 4.24Å; F204-V238 HydrophobicContact CD1-CG2 4.05Å; F204-V238 HydrophobicContact CE1-CB 3.97Å; F204-V238 HydrophobicContact CE1-CG1 4.39Å; F204-V238 HydrophobicContact CE1-CG2 3.41Å; F204-V238 VanDerWaalsContact CE1-CG2 3.41Å; F204-V238 HydrophobicContact CE2-CG2 4.45Å; F204-V238 HydrophobicContact CZ-CB 3.94Å; F204-V238 HydrophobicContact CZ-CG1 3.85Å; F204-V238 HydrophobicContact CZ-CG2 3.66Å; F204-T250 HydrophobicContact CZ-CG2 3.89Å | ||
| 205 | P | 89.5 | Confident | 86.4 | Confident | 112 Ų | 112 | 48.5 Ų | 48.5 | 73% | 0.727 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -26.5 | -175.7 | 25.3 | -34.6 | 0 | 0 | 0 | 113.1 | K201 L203 S207 | K201-P205 WeakPolarHBondContact O-CA 3.09Å; K201-P205 VanDerWaalsContact O-N 3.15Å; L203-P205 VanDerWaalsContact C-CD 3.48Å; L203-P205 WeakPolarHBondContact O-CD 3.48Å; P205-S207 PolarHBondContact O-N 3.43Å |
| 206 | S | 90 | Very high | 85 | Confident | 53 Ų | 53 | 53.2 Ų | 53.2 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -6.2 | 173.7 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | F204 V208 F225 | F204-S206 PolarHBondContact O-N 3.09Å; S206-V208 PolarHBondContact O-N 3.25Å; S206-F225 WeakPolarHBondContact OG-CE1 3.45Å |
| 207 | S | 90.8 | Very high | 84 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | trans | -72.1 | 129.9 | -179.3 | 67.8 | 0 | 0 | 0 | 0 | 111.9 | F204 P205 V210 K224 | F204-S207 VanDerWaalsContact O-CB 3.26Å; F204-S207 WeakPolarHBondContact O-CB 3.33Å; F204-S207 PolarHBondContact O-N 2.67Å; F204-S207 PolarHBondContact O-OG 2.95Å; P205-S207 PolarHBondContact O-N 3.43Å; S207-V210 WeakPolarHBondContact OG-CG2 3.37Å; S207-K224 CarbonylContact C-O 3.52Å; S207-K224 VanDerWaalsContact CA-O 3.31Å; S207-K224 WeakPolarHBondContact CA-O 3.39Å; S207-K224 WeakPolarHBondContact CB-O 3.44Å | ||
| 208 | V | 88 | Confident | 83.2 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -64.9 | -51.2 | 172.8 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | S206 K224 R226 H286 E345 | S206-V208 PolarHBondContact O-N 3.25Å; V208-K224 PolarHBondContact N-O 3.23Å; V208-R226 HydrophobicContact CG2-CB 4.46Å; V208-R226 HydrophobicContact CG2-CG 3.39Å; V208-H286 HydrophobicContact CG1-CB 4.27Å; V208-E345 HydrophobicContact CG1-CB 3.95Å; V208-E345 HydrophobicContact CG1-CG 4.08Å; V208-E345 WeakPolarHBondContact CG1-OE2 3.4Å |
| 209 | N | 88.8 | Confident | 83.1 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 142.4 | -177.3 | -169.6 | -100.1 | 0 | 0 | 0 | 111.7 | K224 L287 G318 | N209-K224 PolarHBondContact O-N 3.47Å; N209-L287 PolarHBondContact ND2-O 2.89Å; N209-G318 VanDerWaalsContact ND2-CA 3.29Å; N209-G318 WeakPolarHBondContact ND2-CA 3.47Å |
| 210 | V | 90.1 | Very high | 83.1 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.8 | 171.9 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | V197 I200 K201 S207 F222 A223 | V197-V210 HydrophobicContact CG1-CB 4.06Å; V197-V210 HydrophobicContact CG1-CG1 4.18Å; I200-V210 HydrophobicContact CB-CG1 3.8Å; I200-V210 HydrophobicContact CD1-CG1 4.07Å; I200-V210 HydrophobicContact CG2-CB 4.39Å; I200-V210 HydrophobicContact CG2-CG1 3.46Å; I200-V210 VanDerWaalsContact CG2-CG1 3.46Å; I200-V210 HydrophobicContact CG2-CG2 4.04Å; K201-V210 HydrophobicContact CG-CB 4.32Å; K201-V210 HydrophobicContact CG-CG2 3.84Å; S207-V210 WeakPolarHBondContact OG-CG2 3.37Å; V210-F222 WeakPolarHBondContact CA-O 3.41Å; V210-A223 HydrophobicContact CG2-CB 4.28Å |
| 211 | R | 86.8 | Confident | 83.2 | Confident | 96 Ų | 96 | 61 Ų | 61 | 36% | 0.362 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.1 | 179.5 | -178.1 | -177.8 | 172.9 | -149.4 | 1 | 111 | A221 F222 | R211-A221 WeakPolarHBondContact O-CA 3.34Å; R211-F222 PolarHBondContact N-O 3.23Å; R211-F222 PolarHBondContact O-N 3.06Å |
| 212 | I | 87.5 | Confident | 83.3 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 21% | 0.205 | 31% | 0.311 | C | S | . | . | trans | -102.8 | 122.4 | 168.4 | -51.4 | 177.5 | 0 | 0 | 0 | 107.4 | C195 V197 I200 A221 | C195-I212 WeakPolarHBondContact O-CD1 3.45Å; V197-I212 HydrophobicContact CG2-CD1 3.74Å; V197-I212 HydrophobicContact CG2-CG1 4.09Å; I200-I212 HydrophobicContact CD1-CD1 3.61Å; I200-I212 HydrophobicContact CD1-CG1 3.82Å; I212-A221 HydrophobicContact CG1-CB 3.95Å | ||
| 213 | P | 82.5 | Confident | 83.4 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 14% | 0.143 | 28% | 0.283 | C | S | . | . | trans | -56.9 | 140.6 | 172.9 | -23.3 | 34.6 | 0 | 0 | 0 | 110.9 | K215 S218 F220 F222 | P213-K215 PolarHBondContact O-N 2.91Å; P213-S218 PolarHBondContact O-OG 3Å; P213-F220 VanDerWaalsContact CD-O 3.31Å; P213-F220 WeakPolarHBondContact CD-O 3.16Å; P213-F220 HydrophobicContact CG-CD2 4.18Å; P213-F220 HydrophobicContact CG-CE2 3.62Å; P213-F220 HydrophobicContact CG-CZ 3.96Å; P213-F222 HydrophobicContact CG-CD2 4.33Å; P213-F222 HydrophobicContact CG-CE2 3.9Å | ||
| 214 | Q | 73.1 | Confident | 83.5 | Confident | 144 Ų | 144 | 55.7 Ų | 55.7 | 67% | 0.673 | 28% | 0.283 | S | S | * | . | trans | -80 | 0.6 | -177.5 | -68.9 | -171.5 | -80.1 | 0 | 0 | 114.7 | C216 | Q214-C216 PolarHBondContact O-N 3.3Å; Q214-C216 VanDerWaalsContact O-N 3.12Å | ||
| 215 | K | 70.8 | Confident | 83.6 | Confident | 173 Ų | 173 | 55.6 Ų | 55.6 | 75% | 0.752 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -64.6 | 122.6 | 176.9 | -68.9 | -176 | 179.8 | 179.3 | 0 | 106.1 | P213 N217 S218 | P213-K215 PolarHBondContact O-N 2.91Å; K215-N217 PolarHBondContact O-N 2.85Å; K215-S218 WeakPolarHBondContact O-CB 3.27Å; K215-S218 PolarHBondContact O-N 3.22Å; K215-S218 PolarHBondContact O-OG 3.49Å |
| 216 | C | 52.7 | Low | 83.5 | Confident | 113 Ų | 113 | 56 Ų | 56 | 76% | 0.764 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -8.4 | -170.2 | 49.2 | 0 | 0 | 0 | 0 | 116.2 | Q214 | Q214-C216 PolarHBondContact O-N 3.3Å; Q214-C216 VanDerWaalsContact O-N 3.12Å |
| 217 | N | 64.5 | Low | 83.5 | Confident | 112 Ų | 112 | 57.7 Ų | 57.7 | 60% | 0.599 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | 17.6 | 178.4 | -64.4 | -25.7 | 0 | 0 | 0 | 113.3 | K215 R219 | K215-N217 PolarHBondContact O-N 2.85Å; N217-R219 PolarHBondContact O-N 3.36Å |
| 218 | S | 71.2 | Confident | 83.5 | Confident | 20 Ų | 20 | 61 Ų | 61 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | trans | -72.7 | 98.9 | 178.2 | 62.4 | 0 | 0 | 0 | 0 | 110.3 | P213 K215 F220 | P213-S218 PolarHBondContact O-OG 3Å; K215-S218 WeakPolarHBondContact O-CB 3.27Å; K215-S218 PolarHBondContact O-N 3.22Å; K215-S218 PolarHBondContact O-OG 3.49Å; S218-F220 PolarHBondContact O-N 3.34Å; S218-F220 VanDerWaalsContact O-N 3.11Å | ||
| 219 | R | 84.9 | Confident | 83.7 | Confident | 133 Ų | 133 | 66.7 Ų | 66.7 | 50% | 0.502 | 32% | 0.319 | S | S | . | . | trans | -82.6 | 32.8 | 173 | -52.4 | -161.3 | -55.1 | 132.7 | -1.2 | 112.3 | P190 L191 N217 | P190-R219 WeakPolarHBondContact CA-O 3.46Å; L191-R219 PolarHBondContact N-O 3.14Å; N217-R219 PolarHBondContact O-N 3.36Å | ||
| 220 | F | 88 | Confident | 83.9 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 28% | 0.276 | 33% | 0.33 | S | S | . | . | trans | -151 | 152.8 | -176.9 | 66.2 | -85.9 | 0 | 0 | 0 | 112.1 | I188 R189 P213 S218 F222 | I188-F220 CarbonylContact O-C 3.58Å; I188-F220 WeakPolarHBondContact O-CA 3.41Å; I188-F220 WeakPolarHBondContact O-CB 3.18Å; R189-F220 HydrophobicContact CG-CB 3.6Å; P213-F220 VanDerWaalsContact CD-O 3.31Å; P213-F220 WeakPolarHBondContact CD-O 3.16Å; P213-F220 HydrophobicContact CG-CD2 4.18Å; P213-F220 HydrophobicContact CG-CE2 3.62Å; P213-F220 HydrophobicContact CG-CZ 3.96Å; S218-F220 PolarHBondContact O-N 3.34Å; S218-F220 VanDerWaalsContact O-N 3.11Å; F220-F222 AromaticContact CD2-CE2 3.91Å; F220-F222 HydrophobicContact CD2-CE2 3.91Å; F220-F222 AromaticContact CD2-CZ 3.92Å; F220-F222 HydrophobicContact CD2-CZ 3.92Å; F220-F222 AromaticContact CE2-CE2 3.56Å; F220-F222 HydrophobicContact CE2-CE2 3.56Å; F220-F222 AromaticContact CE2-CZ 3.59Å; F220-F222 HydrophobicContact CE2-CZ 3.59Å | ||
| 221 | A | 90.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 168 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T187 I188 L191 I200 R211 I212 | T187-A221 WeakPolarHBondContact CA-O 3.39Å; I188-A221 HydrophobicContact CD1-CB 4.47Å; I188-A221 PolarHBondContact N-O 3.45Å; I188-A221 PolarHBondContact O-N 3.42Å; L191-A221 HydrophobicContact CD1-CB 3.34Å; I200-A221 HydrophobicContact CD1-CB 3.6Å; R211-A221 WeakPolarHBondContact O-CA 3.34Å; I212-A221 HydrophobicContact CG1-CB 3.95Å |
| 222 | F | 90.2 | Very high | 84.4 | Confident | 47 Ų | 47 | 66.2 Ų | 66.2 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.1 | 171.9 | -58.5 | -80 | 0 | 0 | 0 | 108.6 | T185 L186 T187 V210 R211 P213 F220 | T185-F222 HydrophobicContact CG2-CB 3.87Å; T185-F222 HydrophobicContact CG2-CD1 4.05Å; T185-F222 HydrophobicContact CG2-CG 4.4Å; L186-F222 CarbonylContact O-C 3.5Å; L186-F222 VanDerWaalsContact O-CA 3.32Å; L186-F222 WeakPolarHBondContact O-CA 3.39Å; T187-F222 HydrophobicContact CG2-CD1 3.81Å; T187-F222 HydrophobicContact CG2-CE1 3.63Å; V210-F222 WeakPolarHBondContact CA-O 3.41Å; R211-F222 PolarHBondContact N-O 3.23Å; R211-F222 PolarHBondContact O-N 3.06Å; P213-F222 HydrophobicContact CG-CD2 4.33Å; P213-F222 HydrophobicContact CG-CE2 3.9Å; F220-F222 AromaticContact CD2-CE2 3.91Å; F220-F222 HydrophobicContact CD2-CE2 3.91Å; F220-F222 AromaticContact CD2-CZ 3.92Å; F220-F222 HydrophobicContact CD2-CZ 3.92Å; F220-F222 AromaticContact CE2-CE2 3.56Å; F220-F222 HydrophobicContact CE2-CE2 3.56Å; F220-F222 AromaticContact CE2-CZ 3.59Å; F220-F222 HydrophobicContact CE2-CZ 3.59Å |
| 223 | A | 92.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | T185 L186 I188 F204 V210 F225 | T185-A223 CarbonylContact C-O 3.47Å; T185-A223 WeakPolarHBondContact CA-O 3.38Å; L186-A223 PolarHBondContact N-O 2.85Å; L186-A223 PolarHBondContact O-N 2.9Å; I188-A223 HydrophobicContact CD1-CB 3.67Å; F204-A223 HydrophobicContact CD2-CB 4.36Å; F204-A223 HydrophobicContact CG-CB 4.43Å; V210-A223 HydrophobicContact CG2-CB 4.28Å; A223-F225 HydrophobicContact CB-CE2 3.93Å; A223-F225 HydrophobicContact CB-CZ 4.14Å |
| 224 | K | 90.7 | Very high | 85.1 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137 | -176.8 | -59.8 | -160.7 | 166.5 | -161.1 | 0 | 110.3 | H184 T185 S207 V208 N209 H286 | H184-K224 WeakPolarHBondContact O-CA 3.49Å; T185-K224 HydrophobicContact CG2-CG 4.03Å; S207-K224 CarbonylContact C-O 3.52Å; S207-K224 VanDerWaalsContact CA-O 3.31Å; S207-K224 WeakPolarHBondContact CA-O 3.39Å; S207-K224 WeakPolarHBondContact CB-O 3.44Å; V208-K224 PolarHBondContact N-O 3.23Å; N209-K224 PolarHBondContact O-N 3.47Å; K224-H286 WeakPolarHBondContact CD-CD2 3.26Å; K224-H286 WeakPolarHBondContact CD-NE2 3.31Å; K224-H286 PolarHBondContact NZ-CD2 3.03Å; K224-H286 PolarHBondContact NZ-NE2 3.38Å |
| 225 | F | 91.9 | Very high | 86.1 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | trans | -117.2 | 165.1 | -177.1 | -62.2 | -87.3 | 0 | 0 | 0 | 110.3 | H184 L186 F204 S206 A223 E230 L231 A234 | H184-F225 PolarHBondContact O-N 2.56Å; L186-F225 HydrophobicContact CB-CD2 4.44Å; L186-F225 HydrophobicContact CB-CE2 3.77Å; L186-F225 HydrophobicContact CD2-CE2 4.15Å; L186-F225 HydrophobicContact CD2-CZ 4.47Å; F204-F225 HydrophobicContact CB-CE1 4.43Å; F204-F225 HydrophobicContact CB-CZ 4.18Å; F204-F225 HydrophobicContact CD1-CE1 4.37Å; F204-F225 AromaticContact CD1-CZ 3.71Å; F204-F225 HydrophobicContact CD1-CZ 3.71Å; F204-F225 HydrophobicContact CE1-CZ 4.39Å; F204-F225 HydrophobicContact CG-CZ 4.17Å; S206-F225 WeakPolarHBondContact OG-CE1 3.45Å; A223-F225 HydrophobicContact CB-CE2 3.93Å; A223-F225 HydrophobicContact CB-CZ 4.14Å; F225-E230 HydrophobicContact CB-CB 4.24Å; F225-E230 HydrophobicContact CD1-CB 4.32Å; F225-L231 HydrophobicContact CB-CB 4.03Å; F225-L231 HydrophobicContact CD2-CB 3.74Å; F225-L231 HydrophobicContact CD2-CD1 3.91Å; F225-L231 HydrophobicContact CD2-CG 3.83Å; F225-L231 HydrophobicContact CE2-CB 4.48Å; F225-L231 HydrophobicContact CE2-CG 4.27Å; F225-L231 HydrophobicContact CG-CB 3.95Å; F225-A234 HydrophobicContact CD1-CB 4.22Å; F225-A234 HydrophobicContact CE1-CB 3.38Å; F225-A234 HydrophobicContact CE2-CB 4.3Å; F225-A234 HydrophobicContact CZ-CB 3.43Å; F225-A234 VanDerWaalsContact CZ-CB 3.43Å | ||
| 226 | R | 89.1 | Confident | 87 | Confident | 121 Ų | 121 | 61 Ų | 61 | 46% | 0.457 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -72.3 | -46 | 179.6 | -63.4 | 176.9 | 171.5 | 172.2 | -3.6 | 110.7 | V208 E230 | V208-R226 HydrophobicContact CG2-CB 4.46Å; V208-R226 HydrophobicContact CG2-CG 3.39Å; R226-E230 WeakPolarHBondContact CB-OE2 3.44Å; R226-E230 PolarHBondContact N-OE2 3.2Å |
| 227 | N | 90.3 | Very high | 88.8 | Confident | 88 Ų | 88 | 59.1 Ų | 59.1 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -130.4 | 160.7 | -175.6 | -61.1 | -9.2 | 0 | 0 | 0 | 110.6 | D229 E230 L231 | N227-D229 VanDerWaalsContact C-N 3.29Å; N227-D229 PolarHBondContact O-N 3.24Å; N227-E230 PolarHBondContact O-N 2.74Å; N227-L231 PolarHBondContact O-N 2.97Å |
| 228 | H | 90.5 | Very high | 89.9 | Confident | 78 Ų | 78 | 53.9 Ų | 53.9 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.3 | -38.2 | 173.6 | -174.7 | 67.4 | 0 | 0 | 0 | 112.8 | Q183 H184 E230 L231 V232 | Q183-H228 PolarHBondContact O-ND1 3.09Å; H184-H228 PolarHBondContact CD2-N 3.5Å; H228-E230 PolarHBondContact O-N 3.08Å; H228-L231 WeakPolarHBondContact O-CB 3.29Å; H228-L231 PolarHBondContact O-N 2.83Å; H228-L231 VanDerWaalsContact O-N 3.12Å; H228-V232 WeakPolarHBondContact O-CG2 3.29Å; H228-V232 PolarHBondContact O-N 3.47Å |
| 229 | D | 92.6 | Very high | 90.5 | Very high | 124 Ų | 124 | 57 Ų | 57 | 66% | 0.663 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | -179.9 | -58.4 | -36.3 | 0 | 0 | 0 | 112.7 | N227 L231 V232 A233 | N227-D229 VanDerWaalsContact C-N 3.29Å; N227-D229 PolarHBondContact O-N 3.24Å; D229-L231 VanDerWaalsContact C-N 3.29Å; D229-L231 PolarHBondContact O-N 2.85Å; D229-V232 PolarHBondContact O-N 3.14Å; D229-A233 WeakPolarHBondContact O-CB 3.49Å; D229-A233 PolarHBondContact O-N 3.33Å |
| 230 | E | 93 | Very high | 90.2 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 28% | 0.276 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 175.2 | -70.8 | -176.4 | 179.1 | 0 | 0 | 111.4 | F225 R226 N227 H228 A234 | F225-E230 HydrophobicContact CB-CB 4.24Å; F225-E230 HydrophobicContact CD1-CB 4.32Å; R226-E230 WeakPolarHBondContact CB-OE2 3.44Å; R226-E230 PolarHBondContact N-OE2 3.2Å; N227-E230 PolarHBondContact O-N 2.74Å; H228-E230 PolarHBondContact O-N 3.08Å; E230-A234 WeakPolarHBondContact O-CB 3.44Å; E230-A234 PolarHBondContact O-N 3.07Å |
| 231 | L | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 176 | -179.1 | 151.1 | 0 | 0 | 0 | 111 | H184 T185 L186 F225 N227 H228 D229 A234 Q235 I252 | H184-L231 VanDerWaalsContact C-CD1 3.42Å; T185-L231 VanDerWaalsContact C-CD1 3.46Å; L186-L231 HydrophobicContact CB-CD1 4.09Å; L186-L231 HydrophobicContact CB-CG 4.26Å; L186-L231 HydrophobicContact CD1-CD2 4.12Å; L186-L231 HydrophobicContact CD1-CG 4.38Å; F225-L231 HydrophobicContact CB-CB 4.03Å; F225-L231 HydrophobicContact CD2-CB 3.74Å; F225-L231 HydrophobicContact CD2-CD1 3.91Å; F225-L231 HydrophobicContact CD2-CG 3.83Å; F225-L231 HydrophobicContact CE2-CB 4.48Å; F225-L231 HydrophobicContact CE2-CG 4.27Å; F225-L231 HydrophobicContact CG-CB 3.95Å; N227-L231 PolarHBondContact O-N 2.97Å; H228-L231 WeakPolarHBondContact O-CB 3.29Å; H228-L231 PolarHBondContact O-N 2.83Å; H228-L231 VanDerWaalsContact O-N 3.12Å; D229-L231 VanDerWaalsContact C-N 3.29Å; D229-L231 PolarHBondContact O-N 2.85Å; L231-A234 PolarHBondContact O-N 3.32Å; L231-Q235 WeakPolarHBondContact O-CB 3.31Å; L231-Q235 PolarHBondContact O-N 3.29Å; L231-I252 HydrophobicContact CD2-CB 4.5Å; L231-I252 HydrophobicContact CD2-CD1 3.76Å; L231-I252 HydrophobicContact CD2-CG1 3.67Å; L231-I252 HydrophobicContact CD2-CG2 4.39Å |
| 232 | V | 92.7 | Very high | 89.8 | Confident | 36 Ų | 36 | 56.1 Ų | 56.1 | 22% | 0.218 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 179.9 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | H228 D229 A234 Q235 K236 | H228-V232 WeakPolarHBondContact O-CG2 3.29Å; H228-V232 PolarHBondContact O-N 3.47Å; D229-V232 PolarHBondContact O-N 3.14Å; V232-A234 VanDerWaalsContact C-N 3.34Å; V232-A234 PolarHBondContact O-N 3Å; V232-Q235 PolarHBondContact O-N 3.05Å; V232-K236 HydrophobicContact CG1-CD 4.28Å; V232-K236 WeakPolarHBondContact O-CG 3.42Å; V232-K236 PolarHBondContact O-N 3.42Å |
| 233 | A | 93.4 | Very high | 89.3 | Confident | 52 Ų | 52 | 54 Ų | 54 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D229 K236 S237 | D229-A233 WeakPolarHBondContact O-CB 3.49Å; D229-A233 PolarHBondContact O-N 3.33Å; A233-K236 PolarHBondContact O-N 3.18Å; A233-S237 WeakPolarHBondContact O-CB 3.39Å; A233-S237 PolarHBondContact O-N 2.97Å; A233-S237 PolarHBondContact O-OG 3.3Å |
| 234 | A | 92.9 | Very high | 88.5 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F204 F225 E230 L231 V232 S237 V238 | F204-A234 HydrophobicContact CD1-CB 3.94Å; F204-A234 HydrophobicContact CE1-CB 4.24Å; F225-A234 HydrophobicContact CD1-CB 4.22Å; F225-A234 HydrophobicContact CE1-CB 3.38Å; F225-A234 HydrophobicContact CE2-CB 4.3Å; F225-A234 HydrophobicContact CZ-CB 3.43Å; F225-A234 VanDerWaalsContact CZ-CB 3.43Å; E230-A234 WeakPolarHBondContact O-CB 3.44Å; E230-A234 PolarHBondContact O-N 3.07Å; L231-A234 PolarHBondContact O-N 3.32Å; V232-A234 VanDerWaalsContact C-N 3.34Å; V232-A234 PolarHBondContact O-N 3Å; A234-S237 PolarHBondContact O-N 2.76Å; A234-V238 PolarHBondContact O-N 2.94Å |
| 235 | Q | 92.3 | Very high | 88.1 | Confident | 51 Ų | 51 | 62.8 Ų | 62.8 | 24% | 0.238 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.6 | -49.7 | 176 | -169.7 | -177.7 | 15.3 | 0 | 0 | 110.8 | L186 L231 V232 S237 V238 S239 T250 | L186-Q235 HydrophobicContact CD1-CB 4.2Å; L186-Q235 HydrophobicContact CD1-CG 4.1Å; L231-Q235 WeakPolarHBondContact O-CB 3.31Å; L231-Q235 PolarHBondContact O-N 3.29Å; V232-Q235 PolarHBondContact O-N 3.05Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3.36Å; Q235-V238 PolarHBondContact O-N 3.21Å; Q235-S239 PolarHBondContact O-N 3.49Å; Q235-T250 WeakPolarHBondContact CG-OG1 2.97Å; Q235-T250 PolarHBondContact NE2-O 2.91Å |
| 236 | K | 91.5 | Very high | 87.7 | Confident | 158 Ų | 158 | 68.5 Ų | 68.5 | 69% | 0.687 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.6 | -38.7 | 176.2 | -70.6 | 176.1 | -179.2 | 179.7 | 0 | 112.4 | V232 A233 V238 | V232-K236 HydrophobicContact CG1-CD 4.28Å; V232-K236 WeakPolarHBondContact O-CG 3.42Å; V232-K236 PolarHBondContact O-N 3.42Å; A233-K236 PolarHBondContact O-N 3.18Å; K236-V238 VanDerWaalsContact C-N 3.28Å; K236-V238 PolarHBondContact O-N 3.25Å |
| 237 | S | 90.1 | Very high | 87.6 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 52% | 0.524 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71 | -19 | -178.5 | -61 | 0 | 0 | 0 | 0 | 114.4 | A233 A234 Q235 K241 | A233-S237 WeakPolarHBondContact O-CB 3.39Å; A233-S237 PolarHBondContact O-N 2.97Å; A233-S237 PolarHBondContact O-OG 3.3Å; A234-S237 PolarHBondContact O-N 2.76Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3.36Å; S237-K241 WeakPolarHBondContact O-CE 3.03Å; S237-K241 PolarHBondContact O-NZ 3.45Å; S237-K241 VanDerWaalsContact O-NZ 3.12Å |
| 238 | V | 87.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -109.4 | -16.6 | -177.9 | 178 | 0 | 0 | 0 | 0 | 112.6 | F204 A234 Q235 K236 G240 K241 I248 T250 | F204-V238 HydrophobicContact CD1-CG2 4.05Å; F204-V238 HydrophobicContact CE1-CB 3.97Å; F204-V238 HydrophobicContact CE1-CG1 4.39Å; F204-V238 HydrophobicContact CE1-CG2 3.41Å; F204-V238 VanDerWaalsContact CE1-CG2 3.41Å; F204-V238 HydrophobicContact CE2-CG2 4.45Å; F204-V238 HydrophobicContact CZ-CB 3.94Å; F204-V238 HydrophobicContact CZ-CG1 3.85Å; F204-V238 HydrophobicContact CZ-CG2 3.66Å; A234-V238 PolarHBondContact O-N 2.94Å; Q235-V238 PolarHBondContact O-N 3.21Å; K236-V238 VanDerWaalsContact C-N 3.28Å; K236-V238 PolarHBondContact O-N 3.25Å; V238-G240 PolarHBondContact O-N 3.33Å; V238-K241 HydrophobicContact CB-CD 4.49Å; V238-K241 HydrophobicContact CG1-CB 4.34Å; V238-K241 HydrophobicContact CG1-CD 4.43Å; V238-K241 HydrophobicContact CG2-CD 4.35Å; V238-K241 WeakPolarHBondContact O-CB 3.46Å; V238-K241 PolarHBondContact O-N 2.95Å; V238-I248 HydrophobicContact CG1-CB 4.12Å; V238-I248 HydrophobicContact CG1-CD1 3.9Å; V238-I248 HydrophobicContact CG1-CG2 4.01Å; V238-T250 HydrophobicContact CB-CG2 4.43Å; V238-T250 HydrophobicContact CG1-CG2 4.11Å |
| 239 | S | 83.7 | Confident | 87.4 | Confident | 85 Ų | 85 | 66.3 Ų | 66.3 | 59% | 0.594 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 126.4 | 170.6 | -166.9 | 0 | 0 | 0 | 0 | 110.6 | Q235 | Q235-S239 PolarHBondContact O-N 3.49Š|
| 240 | G | 78.6 | Confident | 87.2 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -7.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V238 E247 | V238-G240 PolarHBondContact O-N 3.33Å; G240-E247 WeakPolarHBondContact CA-OE1 3.43Å; G240-E247 PolarHBondContact N-OE1 3.34Å |
| 241 | K | 86 | Confident | 87 | Confident | 84 Ų | 84 | 62.7 Ų | 62.7 | 37% | 0.365 | 34% | 0.344 | S | S | . | . | trans | -73.4 | 136.6 | 175.2 | -69.4 | -172.8 | 178.6 | 163.9 | 0 | 110.7 | L203 S237 V238 I248 | L203-K241 HydrophobicContact CD2-CD 4.3Å; S237-K241 WeakPolarHBondContact O-CE 3.03Å; S237-K241 PolarHBondContact O-NZ 3.45Å; S237-K241 VanDerWaalsContact O-NZ 3.12Å; V238-K241 HydrophobicContact CB-CD 4.49Å; V238-K241 HydrophobicContact CG1-CB 4.34Å; V238-K241 HydrophobicContact CG1-CD 4.43Å; V238-K241 HydrophobicContact CG2-CD 4.35Å; V238-K241 WeakPolarHBondContact O-CB 3.46Å; V238-K241 PolarHBondContact O-N 2.95Å; K241-I248 HydrophobicContact CB-CD1 4.37Å; K241-I248 WeakPolarHBondContact O-CG1 3.46Å; K241-I248 PolarHBondContact O-N 2.87Å | ||
| 242 | L | 83.1 | Confident | 86.8 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 30% | 0.298 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 132.3 | 175.3 | -61.7 | 174.4 | 0 | 0 | 0 | 110.2 | K246 E247 | L242-K246 CarbonylContact C-O 3.59Å; L242-K246 WeakPolarHBondContact CA-O 3.44Å; L242-E247 HydrophobicContact CD2-CB 4.03Å |
| 243 | L | 80.1 | Confident | 86.3 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 115.2 | 168.3 | -171.6 | 65.9 | 0 | 0 | 0 | 108.4 | L191 P192 L199 S245 K246 I248 | L191-L243 HydrophobicContact CD2-CD2 3.52Å; P192-L243 VanDerWaalsContact CD-CD2 3.48Å; P192-L243 HydrophobicContact CG-CD2 4.16Å; P192-L243 HydrophobicContact CG-CG 4.1Å; L199-L243 HydrophobicContact CD2-CD1 3.82Å; L199-L243 HydrophobicContact CG-CD1 4.38Å; L243-S245 VanDerWaalsContact C-N 3.32Å; L243-S245 PolarHBondContact O-N 3.43Å; L243-K246 PolarHBondContact N-O 3.14Å; L243-K246 PolarHBondContact O-N 3.12Å; L243-K246 VanDerWaalsContact O-N 3.15Å; L243-I248 HydrophobicContact CB-CD1 3.78Å; L243-I248 HydrophobicContact CB-CG1 3.59Å; L243-I248 HydrophobicContact CD2-CD1 4.34Å; L243-I248 HydrophobicContact CD2-CG1 4.48Å |
| 244 | N | 76.1 | Confident | 85.2 | Confident | 85 Ų | 85 | 65 Ų | 65 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 49 | -173.8 | -64.8 | 40.2 | 0 | 0 | 0 | 112.6 | P192 K246 L462 | P192-N244 HydrophobicContact CG-CB 4.21Å; N244-K246 PolarHBondContact O-N 2.65Å; N244-K246 VanDerWaalsContact O-N 3.14Å; N244-L462 WeakPolarHBondContact OD1-CD2 3.39Å |
| 245 | S | 80.7 | Confident | 83.9 | Confident | 116 Ų | 116 | 66.9 Ų | 66.9 | 81% | 0.811 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 14.5 | 179.3 | -44.6 | 0 | 0 | 0 | 0 | 114.9 | L243 | L243-S245 VanDerWaalsContact C-N 3.32Å; L243-S245 PolarHBondContact O-N 3.43Å |
| 246 | K | 84.3 | Confident | 82.3 | Confident | 121 Ų | 121 | 70.6 Ų | 70.6 | 53% | 0.526 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.8 | 173.7 | -63.8 | -174.1 | -178.4 | -174 | 0 | 109.6 | P190 L242 L243 N244 I248 | P190-K246 HydrophobicContact CG-CB 4.03Å; P190-K246 HydrophobicContact CG-CD 4.19Å; L242-K246 CarbonylContact C-O 3.59Å; L242-K246 WeakPolarHBondContact CA-O 3.44Å; L243-K246 PolarHBondContact N-O 3.14Å; L243-K246 PolarHBondContact O-N 3.12Å; L243-K246 VanDerWaalsContact O-N 3.15Å; N244-K246 PolarHBondContact O-N 2.65Å; N244-K246 VanDerWaalsContact O-N 3.14Å; K246-I248 PolarHBondContact O-N 2.79Å |
| 247 | E | 87.1 | Confident | 80.8 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 131.6 | 176.3 | -168.2 | -179.8 | -178.5 | 0 | 0 | 110.9 | P190 G240 L242 K249 | P190-E247 VanDerWaalsContact CD-O 3.27Å; P190-E247 WeakPolarHBondContact CD-O 3.38Å; G240-E247 WeakPolarHBondContact CA-OE1 3.43Å; G240-E247 PolarHBondContact N-OE1 3.34Å; L242-E247 HydrophobicContact CD2-CB 4.03Å; E247-K249 PolarHBondContact O-N 2.86Å |
| 248 | I | 88.8 | Confident | 79.5 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | trans | -76.4 | 113.9 | 174.6 | -53.7 | 174.8 | 0 | 0 | 0 | 108.2 | I188 R189 L203 V238 K241 L243 K246 T250 | I188-I248 HydrophobicContact CG2-CG2 3.48Å; I188-I248 VanDerWaalsContact CG2-CG2 3.48Å; R189-I248 CarbonylContact O-C 3.49Å; L203-I248 HydrophobicContact CD1-CD1 3.8Å; L203-I248 HydrophobicContact CD2-CD1 4.44Å; V238-I248 HydrophobicContact CG1-CB 4.12Å; V238-I248 HydrophobicContact CG1-CD1 3.9Å; V238-I248 HydrophobicContact CG1-CG2 4.01Å; K241-I248 HydrophobicContact CB-CD1 4.37Å; K241-I248 WeakPolarHBondContact O-CG1 3.46Å; K241-I248 PolarHBondContact O-N 2.87Å; L243-I248 HydrophobicContact CB-CD1 3.78Å; L243-I248 HydrophobicContact CB-CG1 3.59Å; L243-I248 HydrophobicContact CD2-CD1 4.34Å; L243-I248 HydrophobicContact CD2-CG1 4.48Å; K246-I248 PolarHBondContact O-N 2.79Å; I248-T250 HydrophobicContact CG2-CG2 3.94Å | ||
| 249 | K | 87.4 | Confident | 78.1 | Confident | 135 Ų | 135 | 70.4 Ų | 70.4 | 59% | 0.587 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 124.2 | 163.9 | -59.5 | -170.7 | 177 | -168.6 | 0 | 110 | R189 E247 | R189-K249 PolarHBondContact N-O 3.18Å; R189-K249 CarbonylContact O-C 3.58Å; R189-K249 VanDerWaalsContact O-CA 3.29Å; R189-K249 WeakPolarHBondContact O-CA 3.4Å; R189-K249 WeakPolarHBondContact O-CB 3.47Å; R189-K249 PolarHBondContact O-N 2.87Å; E247-K249 PolarHBondContact O-N 2.86Å |
| 250 | T | 89.5 | Confident | 77 | Confident | 15 Ų | 15 | 74 Ų | 74 | 9% | 0.092 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.5 | 176.8 | 48.2 | 0 | 0 | 0 | 0 | 109.2 | L186 T187 I188 F204 Q235 V238 I248 | L186-T250 HydrophobicContact CD2-CG2 3.91Å; L186-T250 HydrophobicContact CG-CG2 4.45Å; T187-T250 WeakPolarHBondContact O-CA 3.43Å; I188-T250 HydrophobicContact CG1-CG2 4.39Å; F204-T250 HydrophobicContact CZ-CG2 3.89Å; Q235-T250 WeakPolarHBondContact CG-OG1 2.97Å; Q235-T250 PolarHBondContact NE2-O 2.91Å; V238-T250 HydrophobicContact CB-CG2 4.43Å; V238-T250 HydrophobicContact CG1-CG2 4.11Å; I248-T250 HydrophobicContact CG2-CG2 3.94Å |
| 251 | E | 88.4 | Confident | 76.3 | Confident | 93 Ų | 93 | 74.9 Ų | 74.9 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132.6 | 179.5 | -68 | 161.6 | -173 | 0 | 0 | 108.4 | T187 R189 C253 | T187-E251 WeakPolarHBondContact CA-O 3.48Å; T187-E251 PolarHBondContact N-O 3.47Å; T187-E251 PolarHBondContact O-N 3.26Å; T187-E251 WeakPolarHBondContact OG1-CB 3.26Å; T187-E251 PolarHBondContact OG1-O 2.76Å; R189-E251 IonicContact NH1-OE2 2.67Å; R189-E251 PolarHBondContact NH1-OE2 3.36Å; R189-E251 VanDerWaalsContact NH1-OE2 3.09Å; E251-C253 PolarHBondContact O-N 2.83Å |
| 252 | I | 87.9 | Confident | 75.1 | Confident | 59 Ų | 59 | 75.2 Ų | 75.2 | 30% | 0.303 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 134.6 | 168.1 | -49.1 | -169.4 | 0 | 0 | 0 | 107.2 | L231 S254 | L231-I252 HydrophobicContact CD2-CB 4.5Å; L231-I252 HydrophobicContact CD2-CD1 3.76Å; L231-I252 HydrophobicContact CD2-CG1 3.67Å; L231-I252 HydrophobicContact CD2-CG2 4.39Å; I252-S254 PolarHBondContact O-N 2.82Å |
| 253 | C | 82.1 | Confident | 74.2 | Confident | 11 Ų | 11 | 81.4 Ų | 81.4 | 7% | 0.074 | 43% | 0.426 | C | S | . | . | trans | -53 | 110.1 | 176.7 | -84 | 0 | 0 | 0 | 0 | 109.4 | Y182 T185 T187 E251 | Y182-C253 HydrophobicContact CD1-CB 3.74Å; Y182-C253 HydrophobicContact CG-CB 4.47Å; T185-C253 WeakPolarHBondContact CG2-SG 3.46Å; T185-C253 WeakPolarHBondContact O-CB 3.34Å; T185-C253 PolarHBondContact O-N 2.91Å; T185-C253 PolarHBondContact O-SG 2.79Å; T187-C253 HydrophobicContact CG2-CB 4.3Å; T187-C253 WeakPolarHBondContact CG2-SG 3.35Å; E251-C253 PolarHBondContact O-N 2.83Å | ||
| 254 | S | 69.7 | Low | 73.3 | Confident | 65 Ų | 65 | 88.9 Ų | 88.9 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | trans | -65.5 | 140.2 | -179.9 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | I252 H256 | I252-S254 PolarHBondContact O-N 2.82Å; S254-H256 WeakPolarHBondContact CB-O 3.47Å; S254-H256 PolarHBondContact O-N 2.85Å; S254-H256 PolarHBondContact OG-O 2.9Å | ||
| 255 | L | 66 | Low | 73.1 | Confident | 48 Ų | 48 | 91.5 Ų | 91.5 | 25% | 0.251 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -61.9 | -38.1 | 170.2 | -73.4 | 174.8 | 0 | 0 | 0 | 110.2 | V179 Y182 W266 P269 | V179-L255 HydrophobicContact CB-CD2 4.34Å; V179-L255 HydrophobicContact CG1-CD2 4.25Å; V179-L255 HydrophobicContact CG2-CD2 3.95Å; Y182-L255 HydrophobicContact CD2-CD2 4.35Å; L255-W266 WeakPolarHBondContact O-CH2 3.2Å; L255-W266 WeakPolarHBondContact O-CZ2 3.4Å; L255-P269 HydrophobicContact CD2-CG 4.11Å; L255-P269 WeakPolarHBondContact O-CD 3.25Å |
| 256 | H | 59.1 | Low | 72.7 | Confident | 128 Ų | 128 | 89.1 Ų | 89.1 | 59% | 0.593 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -80.5 | 120.5 | 170.2 | -46.7 | 95.7 | 0 | 0 | 0 | 108.8 | S254 E268 | S254-H256 WeakPolarHBondContact CB-O 3.47Å; S254-H256 PolarHBondContact O-N 2.85Å; S254-H256 PolarHBondContact OG-O 2.9Å; H256-E268 IonicContact CD2-OE1 3.42Å; H256-E268 IonicContact NE2-OE1 3.09Å |
| 257 | G | 60.5 | Low | 72.4 | Confident | 12 Ų | 12 | 85.9 Ų | 85.9 | 12% | 0.124 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 173.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | D259 | G257-D259 PolarHBondContact O-N 3.35Š|
| 258 | P | 62.4 | Low | 72.1 | Confident | 56 Ų | 56 | 82 Ų | 82 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 132.5 | 176.9 | 25.2 | -35 | 0 | 0 | 0 | 110.4 | N260 V261 | P258-N260 PolarHBondContact O-N 2.84Å; P258-V261 HydrophobicContact CB-CG2 4.44Å; P258-V261 HydrophobicContact CG-CB 4.07Å; P258-V261 HydrophobicContact CG-CG2 3.46Å; P258-V261 VanDerWaalsContact CG-CG2 3.46Å; P258-V261 PolarHBondContact O-N 3.46Å |
| 259 | D | 59 | Low | 71.9 | Confident | 163 Ų | 163 | 81.9 Ų | 81.9 | 87% | 0.872 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -26.2 | -174.8 | -55.5 | -38.3 | 0 | 0 | 0 | 113.8 | G257 | G257-D259 PolarHBondContact O-N 3.35Š|
| 260 | N | 60.6 | Low | 71.8 | Confident | 159 Ų | 159 | 79.5 Ų | 79.5 | 85% | 0.85 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 11 | -177 | -64.8 | -61.3 | 0 | 0 | 0 | 114.9 | P258 | P258-N260 PolarHBondContact O-N 2.84Š|
| 261 | V | 62.6 | Low | 71.7 | Confident | 57 Ų | 57 | 84.7 Ų | 84.7 | 35% | 0.345 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -102.8 | 126.4 | 174.9 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | P258 K263 K265 W266 | P258-V261 HydrophobicContact CB-CG2 4.44Å; P258-V261 HydrophobicContact CG-CB 4.07Å; P258-V261 HydrophobicContact CG-CG2 3.46Å; P258-V261 VanDerWaalsContact CG-CG2 3.46Å; P258-V261 PolarHBondContact O-N 3.46Å; V261-K263 PolarHBondContact O-N 3.16Å; V261-K263 VanDerWaalsContact O-N 3.08Å; V261-K265 HydrophobicContact CG1-CB 3.94Å; V261-W266 HydrophobicContact CB-CB 4.5Å; V261-W266 HydrophobicContact CG1-CB 3.62Å |
| 262 | D | 62.6 | Low | 71.7 | Confident | 91 Ų | 91 | 81.1 Ų | 81.1 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | trans | -43.8 | 122 | 169.7 | -53 | -32.9 | 0 | 0 | 0 | 108.6 | N264 K265 | D262-N264 PolarHBondContact O-N 2.91Å; D262-K265 HydrophobicContact CB-CD 4.25Å; D262-K265 HydrophobicContact CB-CG 4.36Å; D262-K265 PolarHBondContact O-N 3.32Å; D262-K265 VanDerWaalsContact OD2-CE 3.28Å; D262-K265 WeakPolarHBondContact OD2-CE 3.35Å; D262-K265 IonicContact OD2-NZ 3.93Å; D262-K265 PolarHBondContact OD2-NZ 3.16Å | ||
| 263 | K | 62.6 | Low | 71.8 | Confident | 188 Ų | 188 | 81 Ų | 81 | 82% | 0.817 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -25.3 | 178.2 | -64.1 | -178.5 | 179.9 | -178.4 | 0 | 111.7 | V261 K265 | V261-K263 PolarHBondContact O-N 3.16Å; V261-K263 VanDerWaalsContact O-N 3.08Å; K263-K265 VanDerWaalsContact C-N 3.31Å; K263-K265 PolarHBondContact O-N 3.28Å |
| 264 | N | 62.4 | Low | 72.3 | Confident | 159 Ų | 159 | 82 Ų | 82 | 85% | 0.85 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -16 | 176.8 | -58.6 | 2.9 | 0 | 0 | 0 | 114.6 | D262 | D262-N264 PolarHBondContact O-N 2.91Š|
| 265 | K | 70.5 | Confident | 73.2 | Confident | 140 Ų | 140 | 82.9 Ų | 82.9 | 61% | 0.609 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -21.6 | -177.6 | -76 | 173.9 | -175.7 | 152.8 | 0 | 113.4 | V261 D262 K263 | V261-K265 HydrophobicContact CG1-CB 3.94Å; D262-K265 HydrophobicContact CB-CD 4.25Å; D262-K265 HydrophobicContact CB-CG 4.36Å; D262-K265 PolarHBondContact O-N 3.32Å; D262-K265 VanDerWaalsContact OD2-CE 3.28Å; D262-K265 WeakPolarHBondContact OD2-CE 3.35Å; D262-K265 IonicContact OD2-NZ 3.93Å; D262-K265 PolarHBondContact OD2-NZ 3.16Å; K263-K265 VanDerWaalsContact C-N 3.31Å; K263-K265 PolarHBondContact O-N 3.28Å |
| 266 | W | 72.5 | Confident | 74.3 | Confident | 67 Ų | 67 | 83 Ų | 83 | 25% | 0.254 | 43% | 0.43 | S | S | . | . | trans | -125.1 | 126.4 | -177.7 | 176.4 | 95 | 0 | 0 | 0 | 109.3 | L255 V261 E268 | L255-W266 WeakPolarHBondContact O-CH2 3.2Å; L255-W266 WeakPolarHBondContact O-CZ2 3.4Å; V261-W266 HydrophobicContact CB-CB 4.5Å; V261-W266 HydrophobicContact CG1-CB 3.62Å; W266-E268 HydrophobicContact CH2-CB 3.38Å; W266-E268 HydrophobicContact CH2-CG 3.79Å; W266-E268 HydrophobicContact CZ2-CB 4.29Å; W266-E268 HydrophobicContact CZ3-CB 3.73Å | ||
| 267 | T | 79.2 | Confident | 75.9 | Confident | 53 Ų | 53 | 76.9 Ų | 76.9 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | trans | -112.7 | 126.9 | 178.9 | -46.4 | 0 | 0 | 0 | 0 | 108.8 | Q271 R272 | T267-Q271 HydrophobicContact CG2-CB 4.05Å; T267-R272 HydrophobicContact CG2-CG 3.73Å; T267-R272 PolarHBondContact O-NE 3.27Å; T267-R272 VanDerWaalsContact O-NE 3.12Å; T267-R272 PolarHBondContact O-NH2 3.36Å; T267-R272 VanDerWaalsContact O-NH2 3.15Å | ||
| 268 | E | 81.1 | Confident | 77.5 | Confident | 20 Ų | 20 | 78.7 Ų | 78.7 | 9% | 0.093 | 41% | 0.409 | C | S | . | . | trans | -57.7 | 144.3 | 177.3 | -172.7 | 167.6 | -163.3 | 0 | 0 | 111.8 | H256 W266 L270 Q271 R272 | H256-E268 IonicContact CD2-OE1 3.42Å; H256-E268 IonicContact NE2-OE1 3.09Å; W266-E268 HydrophobicContact CH2-CB 3.38Å; W266-E268 HydrophobicContact CH2-CG 3.79Å; W266-E268 HydrophobicContact CZ2-CB 4.29Å; W266-E268 HydrophobicContact CZ3-CB 3.73Å; E268-L270 PolarHBondContact O-N 3.5Å; E268-Q271 HydrophobicContact CB-CB 4.14Å; E268-Q271 HydrophobicContact CB-CG 3.92Å; E268-Q271 PolarHBondContact O-N 3.42Å; E268-Q271 PolarHBondContact OE2-NE2 3.21Å; E268-R272 WeakPolarHBondContact O-CG 3.41Å; E268-R272 PolarHBondContact O-N 2.9Å | ||
| 269 | P | 83.9 | Confident | 79 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -43.3 | -178.2 | -30.6 | 41.1 | 0 | 0 | 0 | 113.1 | R175 L178 V179 Y182 L255 R272 | R175-P269 WeakPolarHBondContact CG-O 3.2Å; L178-P269 HydrophobicContact CB-CB 3.85Å; L178-P269 HydrophobicContact CB-CG 4.46Å; L178-P269 HydrophobicContact CD1-CB 4.23Å; V179-P269 HydrophobicContact CG2-CB 4.29Å; Y182-P269 HydrophobicContact CD2-CG 3.56Å; Y182-P269 HydrophobicContact CE2-CB 4.33Å; Y182-P269 HydrophobicContact CE2-CG 3.31Å; L255-P269 HydrophobicContact CD2-CG 4.11Å; L255-P269 WeakPolarHBondContact O-CD 3.25Å; P269-R272 PolarHBondContact O-N 2.98Å |
| 270 | L | 86.3 | Confident | 80.7 | Confident | 85 Ų | 85 | 75.4 Ų | 75.4 | 45% | 0.445 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -27.6 | -178.9 | -62 | 177.3 | 0 | 0 | 0 | 113.1 | R175 V179 E268 | R175-L270 HydrophobicContact CB-CD2 4.43Å; R175-L270 VanDerWaalsContact CZ-O 3.28Å; R175-L270 PolarHBondContact NE-O 3.29Å; R175-L270 VanDerWaalsContact NE-O 3.08Å; R175-L270 PolarHBondContact NH2-O 3.12Å; V179-L270 HydrophobicContact CG2-CD2 3.96Å; V179-L270 HydrophobicContact CG2-CG 4.38Å; E268-L270 PolarHBondContact O-N 3.5Å |
| 271 | Q | 86.7 | Confident | 82.4 | Confident | 124 Ų | 124 | 68.3 Ų | 68.3 | 58% | 0.579 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -10.5 | 180 | -63.5 | 177.8 | 19.3 | 0 | 0 | 113.2 | T267 E268 | T267-Q271 HydrophobicContact CG2-CB 4.05Å; E268-Q271 HydrophobicContact CB-CB 4.14Å; E268-Q271 HydrophobicContact CB-CG 3.92Å; E268-Q271 PolarHBondContact O-N 3.42Å; E268-Q271 PolarHBondContact OE2-NE2 3.21Å |
| 272 | R | 88 | Confident | 84.1 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | trans | -68.8 | 148.6 | -179.6 | -73.8 | -178.7 | -171 | -177.7 | 4.3 | 112.3 | R175 T267 E268 P269 D276 F277 L353 | R175-R272 PolarHBondContact NE-O 3.29Å; R175-R272 VanDerWaalsContact NE-O 3.09Å; R175-R272 PolarHBondContact NH2-O 2.85Å; T267-R272 HydrophobicContact CG2-CG 3.73Å; T267-R272 PolarHBondContact O-NE 3.27Å; T267-R272 VanDerWaalsContact O-NE 3.12Å; T267-R272 PolarHBondContact O-NH2 3.36Å; T267-R272 VanDerWaalsContact O-NH2 3.15Å; E268-R272 WeakPolarHBondContact O-CG 3.41Å; E268-R272 PolarHBondContact O-N 2.9Å; P269-R272 PolarHBondContact O-N 2.98Å; R272-D276 WeakPolarHBondContact CA-OD2 3.22Å; R272-F277 HydrophobicContact CB-CE2 3.88Å; R272-F277 HydrophobicContact CB-CZ 4.06Å; R272-F277 HydrophobicContact CG-CZ 4.49Å; R272-L353 VanDerWaalsContact NH1-CD1 3.33Å | ||
| 273 | T | 91.1 | Very high | 85.6 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 34% | 0.344 | 31% | 0.31 | S | S | . | . | trans | -112.9 | 164.3 | 177.2 | 60.7 | 0 | 0 | 0 | 0 | 110.3 | S275 D276 F277 | T273-S275 PolarHBondContact O-N 3.47Å; T273-S275 PolarHBondContact OG1-OG 3.26Å; T273-D276 PolarHBondContact N-OD2 2.76Å; T273-D276 WeakPolarHBondContact O-CB 3.28Å; T273-D276 PolarHBondContact O-N 3.05Å; T273-D276 VanDerWaalsContact O-N 3.09Å; T273-D276 PolarHBondContact OG1-OD2 3.32Å; T273-D276 VanDerWaalsContact OG1-OD2 3.08Å; T273-F277 VanDerWaalsContact O-CD2 3.25Å; T273-F277 WeakPolarHBondContact O-CD2 3.48Å; T273-F277 WeakPolarHBondContact O-CE2 3.14Å | ||
| 274 | L | 90.7 | Very high | 87.2 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -59.9 | -28.9 | 175.5 | -72.3 | -178.7 | 0 | 0 | 0 | 112.8 | D167 L170 L171 I174 D276 F277 M279 | D167-L274 HydrophobicContact CB-CD1 3.56Å; L170-L274 HydrophobicContact CD2-CD2 4.32Å; L170-L274 HydrophobicContact CG-CD2 4.29Å; L171-L274 HydrophobicContact CB-CD2 3.94Å; L171-L274 HydrophobicContact CB-CG 4.07Å; L171-L274 HydrophobicContact CD1-CD2 3.88Å; L171-L274 HydrophobicContact CD1-CG 4.04Å; L171-L274 HydrophobicContact CD2-CG 4.47Å; L171-L274 HydrophobicContact CG-CD2 4.46Å; L171-L274 HydrophobicContact CG-CG 4.42Å; I174-L274 HydrophobicContact CD1-CD2 3.95Å; L274-D276 PolarHBondContact O-N 2.73Å; L274-F277 PolarHBondContact O-N 3.09Å; L274-F277 VanDerWaalsContact O-N 3.14Å; L274-M279 HydrophobicContact CB-CE 3.84Å; L274-M279 HydrophobicContact CD2-CE 3.6Å; L274-M279 HydrophobicContact CG-CE 4.27Å; L274-M279 WeakPolarHBondContact O-CE 3.46Å |
| 275 | S | 89.6 | Confident | 88.6 | Confident | 82 Ų | 82 | 47.3 Ų | 47.3 | 57% | 0.573 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -59 | -30.2 | 175.5 | 20.8 | 0 | 0 | 0 | 0 | 113.3 | T273 F277 K354 | T273-S275 PolarHBondContact O-N 3.47Å; T273-S275 PolarHBondContact OG1-OG 3.26Å; S275-F277 PolarHBondContact O-N 2.87Å; S275-K354 WeakPolarHBondContact O-CD 3.47Å; S275-K354 PolarHBondContact O-NZ 3.22Å |
| 276 | D | 89.6 | Confident | 89.6 | Confident | 50 Ų | 50 | 40.9 Ų | 40.9 | 27% | 0.267 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -70.4 | -18.9 | -179.3 | -60.3 | -41.4 | 0 | 0 | 0 | 112.6 | R272 T273 L274 L353 K354 | R272-D276 WeakPolarHBondContact CA-OD2 3.22Å; T273-D276 PolarHBondContact N-OD2 2.76Å; T273-D276 WeakPolarHBondContact O-CB 3.28Å; T273-D276 PolarHBondContact O-N 3.05Å; T273-D276 VanDerWaalsContact O-N 3.09Å; T273-D276 PolarHBondContact OG1-OD2 3.32Å; T273-D276 VanDerWaalsContact OG1-OD2 3.08Å; L274-D276 PolarHBondContact O-N 2.73Å; D276-L353 HydrophobicContact CB-CD1 3.95Å; D276-L353 WeakPolarHBondContact O-CD1 3.5Å; D276-K354 WeakPolarHBondContact O-CB 3.49Å; D276-K354 PolarHBondContact O-N 3.31Å |
| 277 | F | 92.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 146.9 | -176.4 | -55 | -89.8 | 0 | 0 | 0 | 112.3 | I174 L178 R272 T273 L274 S275 M279 F351 L352 L353 K354 | I174-F277 HydrophobicContact CG2-CD1 4.41Å; I174-F277 HydrophobicContact CG2-CD2 4.32Å; I174-F277 HydrophobicContact CG2-CE1 3.77Å; I174-F277 HydrophobicContact CG2-CE2 3.69Å; I174-F277 HydrophobicContact CG2-CZ 3.38Å; L178-F277 HydrophobicContact CD1-CE1 4.19Å; L178-F277 HydrophobicContact CD1-CZ 3.86Å; R272-F277 HydrophobicContact CB-CE2 3.88Å; R272-F277 HydrophobicContact CB-CZ 4.06Å; R272-F277 HydrophobicContact CG-CZ 4.49Å; T273-F277 VanDerWaalsContact O-CD2 3.25Å; T273-F277 WeakPolarHBondContact O-CD2 3.48Å; T273-F277 WeakPolarHBondContact O-CE2 3.14Å; L274-F277 PolarHBondContact O-N 3.09Å; L274-F277 VanDerWaalsContact O-N 3.14Å; S275-F277 PolarHBondContact O-N 2.87Å; F277-M279 HydrophobicContact CB-CE 3.59Å; F277-M279 HydrophobicContact CG-CE 4.5Å; F277-M279 PolarHBondContact O-N 3.08Å; F277-F351 HydrophobicContact CB-CB 3.89Å; F277-F351 HydrophobicContact CD1-CB 4.09Å; F277-F351 HydrophobicContact CG-CB 4.27Å; F277-L352 CarbonylContact C-O 3.46Å; F277-L352 WeakPolarHBondContact CA-O 3.44Å; F277-L353 HydrophobicContact CD1-CD1 3.96Å; F277-L353 HydrophobicContact CE1-CD1 3.82Å; F277-L353 HydrophobicContact CZ-CD1 4.25Å; F277-K354 WeakPolarHBondContact O-CE 3.27Å; F277-K354 PolarHBondContact O-NZ 3.36Å |
| 278 | D | 93.9 | Very high | 91.1 | Very high | 50 Ų | 50 | 35.5 Ų | 35.5 | 27% | 0.267 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 102.4 | 170 | -179.3 | 4.8 | 0 | 0 | 0 | 109.9 | R280 S281 L352 K354 | D278-R280 PolarHBondContact O-N 2.94Å; D278-R280 PolarHBondContact OD1-N 2.84Å; D278-R280 VanDerWaalsContact OD1-N 3.14Å; D278-S281 PolarHBondContact O-N 3.22Å; D278-S281 VanDerWaalsContact OD2-CB 3.25Å; D278-S281 WeakPolarHBondContact OD2-CB 3.25Å; D278-S281 PolarHBondContact OD2-OG 3.08Å; D278-L352 HydrophobicContact CB-CB 4.42Å; D278-L352 PolarHBondContact N-O 2.88Å; D278-K354 HydrophobicContact CB-CG 4.16Å |
| 279 | M | 93.8 | Very high | 91.4 | Very high | 25 Ų | 25 | 37.5 Ų | 37.5 | 12% | 0.123 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | -4.9 | -176.6 | -61.5 | -57.5 | 151.5 | 0 | 0 | 114.8 | L170 L274 F277 R327 F351 | L170-M279 HydrophobicContact CD2-SD 4.49Å; L274-M279 HydrophobicContact CB-CE 3.84Å; L274-M279 HydrophobicContact CD2-CE 3.6Å; L274-M279 HydrophobicContact CG-CE 4.27Å; L274-M279 WeakPolarHBondContact O-CE 3.46Å; F277-M279 HydrophobicContact CB-CE 3.59Å; F277-M279 HydrophobicContact CG-CE 4.5Å; F277-M279 PolarHBondContact O-N 3.08Å; M279-R327 HydrophobicContact CB-CB 4.41Å; M279-R327 HydrophobicContact CB-CG 3.89Å; M279-R327 WeakPolarHBondContact O-CA 3.39Å; M279-F351 HydrophobicContact SD-CD1 4.17Å; M279-F351 HydrophobicContact SD-CE1 4.24Å; M279-F351 HydrophobicContact SD-CG 4.36Å |
| 280 | R | 94.9 | Very high | 91.8 | Very high | 125 Ų | 125 | 40.6 Ų | 40.6 | 47% | 0.472 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -3.6 | 175.3 | -65.6 | 175.7 | 68.3 | 174.5 | 4.5 | 112.9 | D278 Y324 H325 | D278-R280 PolarHBondContact O-N 2.94Å; D278-R280 PolarHBondContact OD1-N 2.84Å; D278-R280 VanDerWaalsContact OD1-N 3.14Å; R280-Y324 WeakPolarHBondContact O-CB 3.34Å; R280-Y324 PolarHBondContact O-N 3.4Å; R280-H325 VanDerWaalsContact CZ-O 3.26Å; R280-H325 PolarHBondContact NE-O 3.26Å; R280-H325 PolarHBondContact NH2-O 3.48Å |
| 281 | S | 96.2 | Very high | 92.1 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.7 | -174.9 | -60 | 0 | 0 | 0 | 0 | 110.6 | D278 L322 L352 | D278-S281 PolarHBondContact O-N 3.22Å; D278-S281 VanDerWaalsContact OD2-CB 3.25Å; D278-S281 WeakPolarHBondContact OD2-CB 3.25Å; D278-S281 PolarHBondContact OD2-OG 3.08Å; S281-L322 CarbonylContact C-O 3.55Å; S281-L322 WeakPolarHBondContact CA-O 3.24Å; S281-L352 WeakPolarHBondContact O-CB 3.44Å; S281-L352 PolarHBondContact O-N 3.27Å |
| 282 | L | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 145.3 | 174.1 | -58.1 | 178.7 | 0 | 0 | 0 | 110.3 | T321 L322 Y324 A330 D333 F334 V349 M350 F351 | L282-T321 CarbonylContact O-C 3.53Å; L282-T321 WeakPolarHBondContact O-CA 3.41Å; L282-L322 HydrophobicContact CB-CB 4.26Å; L282-L322 HydrophobicContact CB-CD1 4.45Å; L282-L322 PolarHBondContact N-O 3.49Å; L282-L322 PolarHBondContact O-N 2.87Å; L282-Y324 HydrophobicContact CB-CE2 4.19Å; L282-Y324 HydrophobicContact CD1-CD2 4.45Å; L282-Y324 HydrophobicContact CD1-CE2 3.55Å; L282-Y324 HydrophobicContact CG-CD2 4.28Å; L282-Y324 HydrophobicContact CG-CE2 3.71Å; L282-A330 HydrophobicContact CD2-CB 4.33Å; L282-A330 HydrophobicContact CG-CB 4.29Å; L282-D333 HydrophobicContact CD1-CB 3.93Å; L282-F334 HydrophobicContact CD2-CB 4.08Å; L282-V349 HydrophobicContact CB-CG1 4.29Å; L282-V349 HydrophobicContact CD1-CG1 3.74Å; L282-V349 HydrophobicContact CD2-CG1 4.47Å; L282-V349 HydrophobicContact CG-CG1 4.39Å; L282-M350 CarbonylContact C-O 3.56Å; L282-M350 VanDerWaalsContact CA-O 3.28Å; L282-M350 WeakPolarHBondContact CA-O 3.46Å; L282-F351 HydrophobicContact CD2-CD1 3.6Å; L282-F351 HydrophobicContact CD2-CD2 4.43Å; L282-F351 HydrophobicContact CD2-CE1 3.66Å; L282-F351 HydrophobicContact CD2-CE2 4.46Å; L282-F351 HydrophobicContact CD2-CG 4.03Å; L282-F351 HydrophobicContact CD2-CZ 4.11Å |
| 283 | H | 95.6 | Very high | 92.6 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 18% | 0.181 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 108.5 | 170.9 | -168.7 | -140.8 | 0 | 0 | 0 | 108 | Y319 C320 M350 L352 | H283-Y319 AromaticContact NE2-CD2 3.39Å; H283-Y319 WeakPolarHBondContact NE2-CD2 3.46Å; H283-Y319 AromaticContact NE2-CG 3.96Å; H283-C320 WeakPolarHBondContact CA-O 3.26Å; H283-C320 PolarHBondContact CD2-O 3.02Å; H283-M350 PolarHBondContact N-O 3.24Å; H283-M350 PolarHBondContact O-N 2.93Å; H283-L352 HydrophobicContact CB-CD1 4.09Å |
| 284 | V | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 130.7 | 176.5 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | L287 F300 Y319 C320 L322 I347 Y348 V349 | V284-L287 HydrophobicContact CG1-CD2 3.72Å; V284-L287 HydrophobicContact CG1-CG 4.27Å; V284-F300 HydrophobicContact CG1-CE2 4.39Å; V284-F300 HydrophobicContact CG1-CZ 4.48Å; V284-F300 HydrophobicContact CG2-CE1 4.49Å; V284-F300 HydrophobicContact CG2-CE2 3.86Å; V284-F300 HydrophobicContact CG2-CZ 3.74Å; V284-Y319 CarbonylContact O-C 3.49Å; V284-Y319 WeakPolarHBondContact O-CA 3.33Å; V284-Y319 WeakPolarHBondContact O-CB 3.48Å; V284-C320 PolarHBondContact N-O 3.28Å; V284-C320 PolarHBondContact O-N 3.4Å; V284-L322 HydrophobicContact CG2-CD1 3.5Å; V284-L322 VanDerWaalsContact CG2-CD1 3.5Å; V284-L322 HydrophobicContact CG2-CG 3.98Å; V284-I347 HydrophobicContact CG1-CB 4.15Å; V284-I347 HydrophobicContact CG1-CD1 3.98Å; V284-I347 HydrophobicContact CG1-CG1 4.33Å; V284-Y348 CarbonylContact C-O 3.54Å; V284-Y348 VanDerWaalsContact CA-O 3.28Å; V284-Y348 WeakPolarHBondContact CA-O 3.46Å; V284-V349 HydrophobicContact CG2-CG2 4.45Å |
| 285 | L | 92.9 | Very high | 92.9 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 163 | -173.9 | -73.4 | 154.1 | 0 | 0 | 0 | 109.1 | M181 Y348 | M181-L285 HydrophobicContact SD-CD1 3.69Å; L285-Y348 PolarHBondContact N-O 3.48Å; L285-Y348 PolarHBondContact O-N 3.04Å |
| 286 | H | 90 | Very high | 93.1 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | trans | 67.5 | 38.2 | 179.4 | -52.8 | -167.1 | 0 | 0 | 0 | 111.5 | V208 K224 P288 G318 S346 Y348 | V208-H286 HydrophobicContact CG1-CB 4.27Å; K224-H286 WeakPolarHBondContact CD-CD2 3.26Å; K224-H286 WeakPolarHBondContact CD-NE2 3.31Å; K224-H286 PolarHBondContact NZ-CD2 3.03Å; K224-H286 PolarHBondContact NZ-NE2 3.38Å; H286-P288 WeakPolarHBondContact O-CD 3.46Å; H286-G318 PolarHBondContact N-O 3.07Å; H286-G318 VanDerWaalsContact N-O 3.08Å; H286-S346 WeakPolarHBondContact CB-O 3.38Å; H286-Y348 HydrophobicContact CB-CD2 4.45Å; H286-Y348 AromaticContact CE1-CD2 3.2Å; H286-Y348 WeakPolarHBondContact CE1-CD2 3.24Å; H286-Y348 AromaticContact CE1-CE2 3.35Å; H286-Y348 WeakPolarHBondContact CE1-CE2 3.49Å; H286-Y348 AromaticContact CE1-CG 3.83Å; H286-Y348 AromaticContact CG-CD2 3.75Å; H286-Y348 AromaticContact ND1-CD2 3.11Å; H286-Y348 WeakPolarHBondContact ND1-CD2 3.44Å; H286-Y348 AromaticContact ND1-CE2 3.4Å; H286-Y348 WeakPolarHBondContact ND1-CE2 3.28Å; H286-Y348 AromaticContact NE2-CD2 3.85Å | ||
| 287 | L | 92.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -77.7 | 132.3 | 172.1 | -59 | 178.6 | 0 | 0 | 0 | 109.6 | N209 V284 T291 L296 G318 C320 I342 I347 | N209-L287 PolarHBondContact ND2-O 2.89Å; V284-L287 HydrophobicContact CG1-CD2 3.72Å; V284-L287 HydrophobicContact CG1-CG 4.27Å; L287-T291 HydrophobicContact CB-CG2 4.42Å; L287-T291 HydrophobicContact CD1-CG2 4.41Å; L287-T291 HydrophobicContact CD2-CG2 4.29Å; L287-L296 HydrophobicContact CD1-CD1 4.06Å; L287-L296 HydrophobicContact CD1-CD2 4.02Å; L287-L296 HydrophobicContact CD2-CD2 3.89Å; L287-G318 PolarHBondContact N-O 3.3Å; L287-G318 VanDerWaalsContact N-O 3.09Å; L287-G318 VanDerWaalsContact O-CA 3.29Å; L287-G318 WeakPolarHBondContact O-CA 3.47Å; L287-C320 HydrophobicContact CD1-CB 3.8Å; L287-I342 HydrophobicContact CD2-CD1 4.19Å; L287-I347 HydrophobicContact CD2-CB 4.36Å; L287-I347 HydrophobicContact CD2-CG2 3.69Å | ||
| 288 | P | 90.7 | Very high | 93.3 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 5% | 0.045 | 20% | 0.2 | C | C | . | . | trans | -54.4 | 152.4 | 165.6 | -14.5 | 12.3 | 0 | 0 | 0 | 111.7 | H286 A290 T291 I342 H343 E345 | H286-P288 WeakPolarHBondContact O-CD 3.46Å; P288-A290 PolarHBondContact O-N 3.24Å; P288-T291 VanDerWaalsContact CD-OG1 3.24Å; P288-T291 WeakPolarHBondContact CD-OG1 3.25Å; P288-T291 WeakPolarHBondContact CG-OG1 3.45Å; P288-T291 VanDerWaalsContact O-CB 3.31Å; P288-T291 WeakPolarHBondContact O-CB 3.01Å; P288-T291 PolarHBondContact O-N 3.14Å; P288-T291 PolarHBondContact O-OG1 3.49Å; P288-T291 VanDerWaalsContact O-OG1 3.14Å; P288-I342 WeakPolarHBondContact CG-O 3.49Å; P288-H343 HydrophobicContact CB-CB 4.12Å; P288-H343 HydrophobicContact CG-CB 3.85Å; P288-E345 WeakPolarHBondContact CA-OE2 3.06Å; P288-E345 WeakPolarHBondContact CB-OE2 3.19Å; P288-E345 HydrophobicContact CG-CB 3.97Å; P288-E345 HydrophobicContact CG-CG 4.17Å; P288-E345 WeakPolarHBondContact CG-OE2 2.91Å | ||
| 289 | R | 88.6 | Confident | 93.3 | Very high | 63 Ų | 63 | 38.1 Ų | 38.1 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -30.6 | 175 | -85.7 | -175.3 | 158 | -112.2 | 1.6 | 113 | T291 D313 S315 C316 | R289-T291 VanDerWaalsContact C-N 3.28Å; R289-T291 PolarHBondContact O-N 3.4Å; R289-D313 IonicContact NH1-OD2 3.49Å; R289-D313 PolarHBondContact NH1-OD2 3.46Å; R289-D313 VanDerWaalsContact NH1-OD2 3.09Å; R289-S315 PolarHBondContact NH1-OG 2.9Å; R289-C316 PolarHBondContact O-N 3.21Å |
| 290 | A | 90.7 | Very high | 93.4 | Very high | 65 Ų | 65 | 37 Ų | 37 | 54% | 0.537 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -8.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P288 T292 H343 | P288-A290 PolarHBondContact O-N 3.24Å; A290-T292 PolarHBondContact O-N 3.03Å; A290-H343 PolarHBondContact O-NE2 3.13Å |
| 291 | T | 93 | Very high | 93.3 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | trans | -62.3 | 125.2 | -179.9 | -60.8 | 0 | 0 | 0 | 0 | 111 | L287 P288 R289 D295 L296 C316 I342 | L287-T291 HydrophobicContact CB-CG2 4.42Å; L287-T291 HydrophobicContact CD1-CG2 4.41Å; L287-T291 HydrophobicContact CD2-CG2 4.29Å; P288-T291 VanDerWaalsContact CD-OG1 3.24Å; P288-T291 WeakPolarHBondContact CD-OG1 3.25Å; P288-T291 WeakPolarHBondContact CG-OG1 3.45Å; P288-T291 VanDerWaalsContact O-CB 3.31Å; P288-T291 WeakPolarHBondContact O-CB 3.01Å; P288-T291 PolarHBondContact O-N 3.14Å; P288-T291 PolarHBondContact O-OG1 3.49Å; P288-T291 VanDerWaalsContact O-OG1 3.14Å; R289-T291 VanDerWaalsContact C-N 3.28Å; R289-T291 PolarHBondContact O-N 3.4Å; T291-D295 HydrophobicContact CG2-CB 4.27Å; T291-L296 HydrophobicContact CG2-CD1 4.48Å; T291-L296 HydrophobicContact CG2-CD2 4.22Å; T291-L296 HydrophobicContact CG2-CG 3.98Å; T291-C316 WeakPolarHBondContact O-CB 3.3Å; T291-I342 HydrophobicContact CG2-CG2 4.12Å | ||
| 292 | T | 93.5 | Very high | 93.2 | Very high | 65 Ų | 65 | 40.5 Ų | 40.5 | 40% | 0.399 | 21% | 0.208 | S | C | . | . | trans | -97.6 | 164.4 | 176.2 | 67.6 | 0 | 0 | 0 | 0 | 111.1 | A290 F294 D295 L296 | A290-T292 PolarHBondContact O-N 3.03Å; T292-F294 PolarHBondContact O-N 3.03Å; T292-F294 PolarHBondContact OG1-N 2.59Å; T292-D295 PolarHBondContact N-OD2 3.29Å; T292-D295 PolarHBondContact O-N 2.7Å; T292-D295 PolarHBondContact OG1-N 3.18Å; T292-D295 PolarHBondContact OG1-OD2 3.19Å; T292-L296 PolarHBondContact O-N 3.01Å | ||
| 293 | R | 93.2 | Very high | 93.1 | Very high | 159 Ų | 159 | 41.3 Ų | 41.3 | 60% | 0.6 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -60.8 | -29.4 | 171.2 | -175 | 178.3 | 174.2 | -171.1 | -2.9 | 111.8 | L296 A297 I306 M308 | R293-L296 PolarHBondContact O-N 2.87Å; R293-A297 WeakPolarHBondContact O-CB 3.27Å; R293-A297 PolarHBondContact O-N 2.8Å; R293-I306 HydrophobicContact CG-CG2 4.16Å; R293-M308 HydrophobicContact CB-CE 4.34Å |
| 294 | F | 93.1 | Very high | 93.1 | Very high | 133 Ų | 133 | 44.4 Ų | 44.4 | 58% | 0.583 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -67.4 | -44.7 | 177.6 | -179 | -99.8 | 0 | 0 | 0 | 111.5 | T292 L296 A297 Q298 | T292-F294 PolarHBondContact O-N 3.03Å; T292-F294 PolarHBondContact OG1-N 2.59Å; F294-L296 VanDerWaalsContact C-N 3.27Å; F294-L296 PolarHBondContact O-N 2.95Å; F294-A297 PolarHBondContact O-N 3.36Å; F294-A297 VanDerWaalsContact O-N 3.07Å; F294-Q298 HydrophobicContact CD1-CG 4.41Å; F294-Q298 HydrophobicContact CE1-CG 4.09Å; F294-Q298 HydrophobicContact CZ-CG 4.27Å; F294-Q298 VanDerWaalsContact CZ-NE2 3.31Å; F294-Q298 WeakPolarHBondContact O-CG 3.42Å; F294-Q298 PolarHBondContact O-N 2.59Å |
| 295 | D | 94 | Very high | 93.1 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 6% | 0.059 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.5 | -44.1 | 174.9 | -57.2 | -39 | 0 | 0 | 0 | 110.7 | V152 T291 T292 A297 Q298 V299 I342 H343 | V152-D295 HydrophobicContact CG2-CB 4.42Å; T291-D295 HydrophobicContact CG2-CB 4.27Å; T292-D295 PolarHBondContact N-OD2 3.29Å; T292-D295 PolarHBondContact O-N 2.7Å; T292-D295 PolarHBondContact OG1-N 3.18Å; T292-D295 PolarHBondContact OG1-OD2 3.19Å; D295-A297 PolarHBondContact O-N 3.46Å; D295-Q298 PolarHBondContact O-N 3.4Å; D295-V299 WeakPolarHBondContact O-CG2 3.4Å; D295-V299 PolarHBondContact O-N 2.72Å; D295-V299 VanDerWaalsContact O-N 3.08Å; D295-I342 HydrophobicContact CB-CG2 4.24Å; D295-H343 IonicContact OD2-CD2 3.57Å; D295-H343 IonicContact OD2-CE1 3.49Å; D295-H343 IonicContact OD2-NE2 3.58Å; D295-H343 PolarHBondContact OD2-NE2 3.16Å |
| 296 | L | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 176.3 | -67.1 | 174.2 | 0 | 0 | 0 | 113 | L287 T291 T292 R293 F294 Q298 V299 F300 I306 M308 C320 I342 | L287-L296 HydrophobicContact CD1-CD1 4.06Å; L287-L296 HydrophobicContact CD1-CD2 4.02Å; L287-L296 HydrophobicContact CD2-CD2 3.89Å; T291-L296 HydrophobicContact CG2-CD1 4.48Å; T291-L296 HydrophobicContact CG2-CD2 4.22Å; T291-L296 HydrophobicContact CG2-CG 3.98Å; T292-L296 PolarHBondContact O-N 3.01Å; R293-L296 PolarHBondContact O-N 2.87Å; F294-L296 VanDerWaalsContact C-N 3.27Å; F294-L296 PolarHBondContact O-N 2.95Å; L296-Q298 VanDerWaalsContact C-N 3.29Å; L296-Q298 PolarHBondContact O-N 3.49Å; L296-V299 PolarHBondContact O-N 2.88Å; L296-F300 HydrophobicContact CD2-CD2 4.44Å; L296-F300 HydrophobicContact CD2-CE2 4.29Å; L296-F300 WeakPolarHBondContact O-CB 3.48Å; L296-F300 WeakPolarHBondContact O-CD2 3.41Å; L296-F300 PolarHBondContact O-N 3Å; L296-I306 HydrophobicContact CB-CD1 4.42Å; L296-I306 HydrophobicContact CB-CG2 4.23Å; L296-I306 HydrophobicContact CD1-CG2 4.04Å; L296-M308 HydrophobicContact CD1-CB 4.28Å; L296-M308 HydrophobicContact CD1-CG 4.2Å; L296-M308 HydrophobicContact CD1-SD 3.67Å; L296-C320 HydrophobicContact CD1-CB 3.75Å; L296-I342 HydrophobicContact CD2-CD1 4.2Å |
| 297 | A | 93.9 | Very high | 93.5 | Very high | 42 Ų | 42 | 54 Ų | 54 | 35% | 0.347 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68 | -29.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R293 F294 D295 F300 P301 I306 | R293-A297 WeakPolarHBondContact O-CB 3.27Å; R293-A297 PolarHBondContact O-N 2.8Å; F294-A297 PolarHBondContact O-N 3.36Å; F294-A297 VanDerWaalsContact O-N 3.07Å; D295-A297 PolarHBondContact O-N 3.46Å; A297-F300 CarbonylContact O-C 3.54Å; A297-P301 WeakPolarHBondContact O-CA 3.03Å; A297-I306 HydrophobicContact CB-CD1 4.01Å |
| 298 | Q | 92.1 | Very high | 93.6 | Very high | 34 Ų | 34 | 55.8 Ų | 55.8 | 16% | 0.159 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.4 | -41.6 | 172 | -67.8 | -169.9 | -26.4 | 0 | 0 | 111.9 | S149 F294 D295 L296 | S149-Q298 PolarHBondContact OG-OE1 2.86Å; F294-Q298 HydrophobicContact CD1-CG 4.41Å; F294-Q298 HydrophobicContact CE1-CG 4.09Å; F294-Q298 HydrophobicContact CZ-CG 4.27Å; F294-Q298 VanDerWaalsContact CZ-NE2 3.31Å; F294-Q298 WeakPolarHBondContact O-CG 3.42Å; F294-Q298 PolarHBondContact O-N 2.59Å; D295-Q298 PolarHBondContact O-N 3.4Å; L296-Q298 VanDerWaalsContact C-N 3.29Å; L296-Q298 PolarHBondContact O-N 3.49Å |
| 299 | V | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.7 | -40.8 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | V152 L154 D295 L296 P301 K337 T340 I342 I347 | V152-V299 HydrophobicContact CB-CG2 4.44Å; V152-V299 HydrophobicContact CG1-CG2 3.39Å; V152-V299 HydrophobicContact CG2-CG2 4.15Å; L154-V299 HydrophobicContact CD2-CG1 4.37Å; D295-V299 WeakPolarHBondContact O-CG2 3.4Å; D295-V299 PolarHBondContact O-N 2.72Å; D295-V299 VanDerWaalsContact O-N 3.08Å; L296-V299 PolarHBondContact O-N 2.88Å; V299-P301 VanDerWaalsContact O-CD 3.26Å; V299-P301 WeakPolarHBondContact O-CD 3.25Å; V299-K337 HydrophobicContact CG1-CB 4.45Å; V299-K337 HydrophobicContact CG1-CD 4.01Å; V299-K337 HydrophobicContact CG1-CG 4.49Å; V299-K337 WeakPolarHBondContact O-CE 3.14Å; V299-K337 PolarHBondContact O-NZ 3.5Å; V299-T340 HydrophobicContact CG1-CG2 4.03Å; V299-T340 HydrophobicContact CG2-CG2 4.09Å; V299-I342 HydrophobicContact CG2-CD1 3.94Å; V299-I342 HydrophobicContact CG2-CG1 4.26Å; V299-I347 HydrophobicContact CG1-CD1 4.32Å |
| 300 | F | 95 | Very high | 93.8 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | trans | -120.6 | 65.6 | -174.5 | -56.3 | -80.5 | 0 | 0 | 0 | 112.1 | V284 L296 A297 K302 A303 L322 Y324 D333 K337 I347 V349 | V284-F300 HydrophobicContact CG1-CE2 4.39Å; V284-F300 HydrophobicContact CG1-CZ 4.48Å; V284-F300 HydrophobicContact CG2-CE1 4.49Å; V284-F300 HydrophobicContact CG2-CE2 3.86Å; V284-F300 HydrophobicContact CG2-CZ 3.74Å; L296-F300 HydrophobicContact CD2-CD2 4.44Å; L296-F300 HydrophobicContact CD2-CE2 4.29Å; L296-F300 WeakPolarHBondContact O-CB 3.48Å; L296-F300 WeakPolarHBondContact O-CD2 3.41Å; L296-F300 PolarHBondContact O-N 3Å; A297-F300 CarbonylContact O-C 3.54Å; F300-K302 PolarHBondContact O-N 3.19Å; F300-K302 VanDerWaalsContact O-N 3.16Å; F300-A303 HydrophobicContact CB-CB 4.23Å; F300-A303 WeakPolarHBondContact O-CB 3.42Å; F300-A303 PolarHBondContact O-N 2.85Å; F300-L322 HydrophobicContact CB-CD1 3.93Å; F300-L322 HydrophobicContact CD1-CD1 3.54Å; F300-L322 HydrophobicContact CD2-CD1 3.58Å; F300-L322 HydrophobicContact CE1-CD1 3.82Å; F300-L322 HydrophobicContact CE2-CD1 3.88Å; F300-L322 HydrophobicContact CG-CD1 3.39Å; F300-L322 HydrophobicContact CZ-CD1 3.99Å; F300-Y324 VanDerWaalsContact CD1-OH 3.3Å; F300-Y324 WeakPolarHBondContact CD1-OH 3.47Å; F300-D333 HydrophobicContact CD1-CB 4.2Å; F300-D333 HydrophobicContact CE1-CB 4.39Å; F300-K337 HydrophobicContact CD1-CB 4.33Å; F300-K337 HydrophobicContact CD1-CG 4.11Å; F300-K337 HydrophobicContact CE1-CB 3.5Å; F300-K337 HydrophobicContact CE1-CG 3.78Å; F300-K337 HydrophobicContact CZ-CB 3.95Å; F300-I347 HydrophobicContact CE2-CD1 4.03Å; F300-I347 HydrophobicContact CZ-CD1 3.92Å; F300-V349 HydrophobicContact CE1-CG2 4.25Å; F300-V349 HydrophobicContact CZ-CG2 3.86Å | ||
| 301 | P | 93.6 | Very high | 93.6 | Very high | 94 Ų | 94 | 55.2 Ų | 55.2 | 61% | 0.61 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.6 | -174.5 | 27.4 | -35.7 | 0 | 0 | 0 | 113.5 | A297 V299 | A297-P301 WeakPolarHBondContact O-CA 3.03Å; V299-P301 VanDerWaalsContact O-CD 3.26Å; V299-P301 WeakPolarHBondContact O-CD 3.25Å |
| 302 | K | 94.2 | Very high | 93.2 | Very high | 115 Ų | 115 | 63 Ų | 63 | 50% | 0.5 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -2.6 | -179.4 | -63.6 | -177.7 | -179.6 | 179.5 | 0 | 113.7 | F300 V304 Y324 | F300-K302 PolarHBondContact O-N 3.19Å; F300-K302 VanDerWaalsContact O-N 3.16Å; K302-V304 PolarHBondContact O-N 3.16Å; K302-Y324 HydrophobicContact CB-CE1 4.29Å |
| 303 | A | 95.2 | Very high | 93 | Very high | 18 Ų | 18 | 65 Ų | 65 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | trans | -72.1 | 125.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F300 I306 L322 Y324 | F300-A303 HydrophobicContact CB-CB 4.23Å; F300-A303 WeakPolarHBondContact O-CB 3.42Å; F300-A303 PolarHBondContact O-N 2.85Å; A303-I306 HydrophobicContact CB-CG1 4.12Å; A303-L322 HydrophobicContact CB-CB 4.37Å; A303-L322 HydrophobicContact CB-CD2 4.27Å; A303-Y324 HydrophobicContact CB-CE1 4.23Å | ||
| 304 | V | 95.6 | Very high | 92.8 | Very high | 104 Ų | 104 | 59.9 Ų | 59.9 | 63% | 0.63 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -71.4 | -36.1 | 177.8 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | K302 T323 H325 | K302-V304 PolarHBondContact O-N 3.16Å; V304-T323 PolarHBondContact N-O 2.92Å; V304-H325 HydrophobicContact CG2-CB 4.03Å |
| 305 | G | 94.5 | Very high | 92.5 | Very high | 24 Ų | 24 | 54.7 Ų | 54.7 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 133.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L322 T323 | G305-L322 CarbonylContact O-C 3.6Å; G305-L322 WeakPolarHBondContact O-CA 3.41Å; G305-T323 VanDerWaalsContact CA-OG1 3.25Å; G305-T323 WeakPolarHBondContact CA-OG1 3.49Å; G305-T323 PolarHBondContact N-O 3.35Å; G305-T323 PolarHBondContact N-OG1 2.93Å; G305-T323 VanDerWaalsContact N-OG1 3.16Å; G305-T323 PolarHBondContact O-N 2.66Å; G305-T323 PolarHBondContact O-OG1 3.12Å |
| 306 | I | 96.3 | Very high | 92.4 | Very high | 26 Ų | 26 | 54.2 Ų | 54.2 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 112 | 177.6 | -55.3 | -177.3 | 0 | 0 | 0 | 107.7 | R293 L296 A297 A303 C320 L322 | R293-I306 HydrophobicContact CG-CG2 4.16Å; L296-I306 HydrophobicContact CB-CD1 4.42Å; L296-I306 HydrophobicContact CB-CG2 4.23Å; L296-I306 HydrophobicContact CD1-CG2 4.04Å; A297-I306 HydrophobicContact CB-CD1 4.01Å; A303-I306 HydrophobicContact CB-CG1 4.12Å; I306-C320 WeakPolarHBondContact CG2-SG 3.41Å; I306-L322 HydrophobicContact CB-CD2 4.2Å; I306-L322 HydrophobicContact CD1-CD2 4.45Å; I306-L322 HydrophobicContact CG1-CD2 3.81Å; I306-L322 HydrophobicContact CG2-CD2 3.94Å |
| 307 | R | 95.5 | Very high | 92.2 | Very high | 169 Ų | 169 | 56 Ų | 56 | 64% | 0.638 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 99.8 | 176.8 | -176.4 | 177.6 | -179 | -91.7 | -3 | 109.6 | P309 C320 T321 | R307-P309 WeakPolarHBondContact O-CD 3.43Å; R307-C320 VanDerWaalsContact C-SG 3.56Å; R307-C320 WeakPolarHBondContact O-CA 3.28Å; R307-C320 PolarHBondContact O-SG 3.07Å; R307-T321 PolarHBondContact N-O 2.98Å; R307-T321 PolarHBondContact O-N 3.41Å |
| 308 | M | 94 | Very high | 92 | Very high | 38 Ų | 38 | 54 Ų | 54 | 19% | 0.187 | 30% | 0.297 | C | S | . | . | trans | -110.5 | 106.8 | 179.4 | -174.4 | -178.2 | 78.1 | 0 | 0 | 110 | R293 L296 T310 C316 C320 | R293-M308 HydrophobicContact CB-CE 4.34Å; L296-M308 HydrophobicContact CD1-CB 4.28Å; L296-M308 HydrophobicContact CD1-CG 4.2Å; L296-M308 HydrophobicContact CD1-SD 3.67Å; M308-T310 HydrophobicContact CE-CG2 4.16Å; M308-C316 HydrophobicContact SD-CB 4.23Å; M308-C320 HydrophobicContact CB-CB 4.3Å; M308-C320 HydrophobicContact CG-CB 4.45Å | ||
| 309 | P | 92.2 | Very high | 92.1 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | trans | -67.9 | 137 | 173.9 | -23.8 | 38.2 | 0 | 0 | 0 | 111.9 | R307 R317 Y319 | R307-P309 WeakPolarHBondContact O-CD 3.43Å; P309-R317 HydrophobicContact CB-CB 4.41Å; P309-R317 HydrophobicContact CB-CG 4.35Å; P309-R317 WeakPolarHBondContact O-CB 3.43Å; P309-R317 WeakPolarHBondContact O-CG 3.42Å; P309-R317 PolarHBondContact O-N 3.49Å; P309-Y319 WeakPolarHBondContact CD-O 3.42Å; P309-Y319 HydrophobicContact CG-CD2 4.46Å; P309-Y319 HydrophobicContact CG-CE2 3.68Å | ||
| 310 | T | 91.7 | Very high | 92.2 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -113.2 | 153.3 | 176.7 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | M308 G314 S315 R317 | M308-T310 HydrophobicContact CE-CG2 4.16Å; T310-G314 WeakPolarHBondContact CG2-O 3.46Å; T310-S315 CarbonylContact C-O 3.56Å; T310-S315 WeakPolarHBondContact CA-O 3.4Å; T310-S315 WeakPolarHBondContact CB-O 3.11Å; T310-R317 VanDerWaalsContact O-CZ 3.27Å; T310-R317 PolarHBondContact O-NE 3.47Å; T310-R317 PolarHBondContact O-NH2 2.89Å |
| 311 | Y | 86.5 | Confident | 92.3 | Very high | 42 Ų | 42 | 55 Ų | 55 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | trans | -73.2 | 173.6 | 165.4 | -69.4 | -71 | 0 | 0 | 0 | 110 | V197 D313 G314 S315 R317 | V197-Y311 HydrophobicContact CG2-CE1 4.03Å; Y311-D313 WeakPolarHBondContact CB-OD1 3.44Å; Y311-D313 PolarHBondContact O-N 3.33Å; Y311-G314 PolarHBondContact O-N 3.48Å; Y311-S315 WeakPolarHBondContact CD2-OG 3.14Å; Y311-S315 PolarHBondContact N-O 3.11Å; Y311-R317 HydrophobicContact CD1-CG 4.01Å; Y311-R317 HydrophobicContact CD2-CG 3.79Å; Y311-R317 HydrophobicContact CE1-CG 3.97Å; Y311-R317 HydrophobicContact CE2-CB 4.14Å; Y311-R317 HydrophobicContact CE2-CG 3.78Å; Y311-R317 HydrophobicContact CG-CG 3.91Å | ||
| 312 | D | 86 | Confident | 92.5 | Very high | 168 Ų | 168 | 50.6 Ų | 50.6 | 90% | 0.898 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.5 | -179.5 | -52.4 | -35.4 | 0 | 0 | 0 | 112 | G314 | D312-G314 PolarHBondContact O-N 3.34Š|
| 313 | D | 87.6 | Confident | 92.6 | Very high | 107 Ų | 107 | 47.8 Ų | 47.8 | 57% | 0.572 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -1.2 | 171.2 | 65.7 | 6.9 | 0 | 0 | 0 | 113.7 | R289 Y311 S315 | R289-D313 IonicContact NH1-OD2 3.49Å; R289-D313 PolarHBondContact NH1-OD2 3.46Å; R289-D313 VanDerWaalsContact NH1-OD2 3.09Å; Y311-D313 WeakPolarHBondContact CB-OD1 3.44Å; Y311-D313 PolarHBondContact O-N 3.33Å; D313-S315 VanDerWaalsContact C-N 3.27Å; D313-S315 PolarHBondContact O-N 3.08Å; D313-S315 VanDerWaalsContact OD1-CB 3.22Å; D313-S315 WeakPolarHBondContact OD1-CB 3.45Å; D313-S315 PolarHBondContact OD1-N 3.28Å; D313-S315 PolarHBondContact OD1-OG 2.9Å; D313-S315 PolarHBondContact OD2-OG 3Å; D313-S315 VanDerWaalsContact OD2-OG 3.07Å |
| 314 | G | 88.9 | Confident | 92.7 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 81.7 | -7.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T310 Y311 D312 | T310-G314 WeakPolarHBondContact CG2-O 3.46Å; Y311-G314 PolarHBondContact O-N 3.48Å; D312-G314 PolarHBondContact O-N 3.34Å |
| 315 | S | 88.6 | Confident | 92.7 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | trans | -73.8 | 153.6 | -179.5 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | R289 T310 Y311 D313 | R289-S315 PolarHBondContact NH1-OG 2.9Å; T310-S315 CarbonylContact C-O 3.56Å; T310-S315 WeakPolarHBondContact CA-O 3.4Å; T310-S315 WeakPolarHBondContact CB-O 3.11Å; Y311-S315 WeakPolarHBondContact CD2-OG 3.14Å; Y311-S315 PolarHBondContact N-O 3.11Å; D313-S315 VanDerWaalsContact C-N 3.27Å; D313-S315 PolarHBondContact O-N 3.08Å; D313-S315 VanDerWaalsContact OD1-CB 3.22Å; D313-S315 WeakPolarHBondContact OD1-CB 3.45Å; D313-S315 PolarHBondContact OD1-N 3.28Å; D313-S315 PolarHBondContact OD1-OG 2.9Å; D313-S315 PolarHBondContact OD2-OG 3Å; D313-S315 VanDerWaalsContact OD2-OG 3.07Å | ||
| 316 | C | 91.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -67.5 | 138 | -178.8 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | R289 T291 M308 G318 | R289-C316 PolarHBondContact O-N 3.21Å; T291-C316 WeakPolarHBondContact O-CB 3.3Å; M308-C316 HydrophobicContact SD-CB 4.23Å; C316-G318 PolarHBondContact O-N 2.89Å; C316-G318 PolarHBondContact SG-N 3.21Å; C316-G318 VanDerWaalsContact SG-N 3.36Å |
| 317 | R | 89.8 | Confident | 92.6 | Very high | 37 Ų | 37 | 54 Ų | 54 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | trans | -76.6 | 4.8 | 175.6 | -66.6 | -167.4 | -177.3 | 178.4 | -3.5 | 115.1 | P309 T310 Y311 Y319 | P309-R317 HydrophobicContact CB-CB 4.41Å; P309-R317 HydrophobicContact CB-CG 4.35Å; P309-R317 WeakPolarHBondContact O-CB 3.43Å; P309-R317 WeakPolarHBondContact O-CG 3.42Å; P309-R317 PolarHBondContact O-N 3.49Å; T310-R317 VanDerWaalsContact O-CZ 3.27Å; T310-R317 PolarHBondContact O-NE 3.47Å; T310-R317 PolarHBondContact O-NH2 2.89Å; Y311-R317 HydrophobicContact CD1-CG 4.01Å; Y311-R317 HydrophobicContact CD2-CG 3.79Å; Y311-R317 HydrophobicContact CE1-CG 3.97Å; Y311-R317 HydrophobicContact CE2-CB 4.14Å; Y311-R317 HydrophobicContact CE2-CG 3.78Å; Y311-R317 HydrophobicContact CG-CG 3.91Å; R317-Y319 HydrophobicContact CB-CD1 4.15Å; R317-Y319 HydrophobicContact CB-CE1 3.81Å | ||
| 318 | G | 91.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 88.7 | 5.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | N209 H286 L287 C316 | N209-G318 VanDerWaalsContact ND2-CA 3.29Å; N209-G318 WeakPolarHBondContact ND2-CA 3.47Å; H286-G318 PolarHBondContact N-O 3.07Å; H286-G318 VanDerWaalsContact N-O 3.08Å; L287-G318 PolarHBondContact N-O 3.3Å; L287-G318 VanDerWaalsContact N-O 3.09Å; L287-G318 VanDerWaalsContact O-CA 3.29Å; L287-G318 WeakPolarHBondContact O-CA 3.47Å; C316-G318 PolarHBondContact O-N 2.89Å; C316-G318 PolarHBondContact SG-N 3.21Å; C316-G318 VanDerWaalsContact SG-N 3.36Å |
| 319 | Y | 93.6 | Very high | 92.5 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 156.6 | 177.7 | 69.6 | -83.4 | 0 | 0 | 0 | 112.1 | H283 V284 P309 R317 | H283-Y319 AromaticContact NE2-CD2 3.39Å; H283-Y319 WeakPolarHBondContact NE2-CD2 3.46Å; H283-Y319 AromaticContact NE2-CG 3.96Å; V284-Y319 CarbonylContact O-C 3.49Å; V284-Y319 WeakPolarHBondContact O-CA 3.33Å; V284-Y319 WeakPolarHBondContact O-CB 3.48Å; P309-Y319 WeakPolarHBondContact CD-O 3.42Å; P309-Y319 HydrophobicContact CG-CD2 4.46Å; P309-Y319 HydrophobicContact CG-CE2 3.68Å; R317-Y319 HydrophobicContact CB-CD1 4.15Å; R317-Y319 HydrophobicContact CB-CE1 3.81Å |
| 320 | C | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 149.1 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | H283 V284 L287 L296 I306 R307 M308 | H283-C320 WeakPolarHBondContact CA-O 3.26Å; H283-C320 PolarHBondContact CD2-O 3.02Å; V284-C320 PolarHBondContact N-O 3.28Å; V284-C320 PolarHBondContact O-N 3.4Å; L287-C320 HydrophobicContact CD1-CB 3.8Å; L296-C320 HydrophobicContact CD1-CB 3.75Å; I306-C320 WeakPolarHBondContact CG2-SG 3.41Å; R307-C320 VanDerWaalsContact C-SG 3.56Å; R307-C320 WeakPolarHBondContact O-CA 3.28Å; R307-C320 PolarHBondContact O-SG 3.07Å; M308-C320 HydrophobicContact CB-CB 4.3Å; M308-C320 HydrophobicContact CG-CB 4.45Å |
| 321 | T | 96.7 | Very high | 92.7 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 13% | 0.129 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.1 | 168.3 | -51 | 0 | 0 | 0 | 0 | 109.6 | L282 R307 L352 | L282-T321 CarbonylContact O-C 3.53Å; L282-T321 WeakPolarHBondContact O-CA 3.41Å; R307-T321 PolarHBondContact N-O 2.98Å; R307-T321 PolarHBondContact O-N 3.41Å; T321-L352 HydrophobicContact CG2-CD1 4.19Å; T321-L352 HydrophobicContact CG2-CD2 3.85Å |
| 322 | L | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142 | 174.9 | -54.3 | 175.8 | 0 | 0 | 0 | 109.1 | S281 L282 V284 F300 A303 G305 I306 Y324 | S281-L322 CarbonylContact C-O 3.55Å; S281-L322 WeakPolarHBondContact CA-O 3.24Å; L282-L322 HydrophobicContact CB-CB 4.26Å; L282-L322 HydrophobicContact CB-CD1 4.45Å; L282-L322 PolarHBondContact N-O 3.49Å; L282-L322 PolarHBondContact O-N 2.87Å; V284-L322 HydrophobicContact CG2-CD1 3.5Å; V284-L322 VanDerWaalsContact CG2-CD1 3.5Å; V284-L322 HydrophobicContact CG2-CG 3.98Å; F300-L322 HydrophobicContact CB-CD1 3.93Å; F300-L322 HydrophobicContact CD1-CD1 3.54Å; F300-L322 HydrophobicContact CD2-CD1 3.58Å; F300-L322 HydrophobicContact CE1-CD1 3.82Å; F300-L322 HydrophobicContact CE2-CD1 3.88Å; F300-L322 HydrophobicContact CG-CD1 3.39Å; F300-L322 HydrophobicContact CZ-CD1 3.99Å; A303-L322 HydrophobicContact CB-CB 4.37Å; A303-L322 HydrophobicContact CB-CD2 4.27Å; G305-L322 CarbonylContact O-C 3.6Å; G305-L322 WeakPolarHBondContact O-CA 3.41Å; I306-L322 HydrophobicContact CB-CD2 4.2Å; I306-L322 HydrophobicContact CD1-CD2 4.45Å; I306-L322 HydrophobicContact CG1-CD2 3.81Å; I306-L322 HydrophobicContact CG2-CD2 3.94Å; L322-Y324 HydrophobicContact CB-CD2 4.5Å; L322-Y324 HydrophobicContact CB-CE2 3.73Å; L322-Y324 HydrophobicContact CD1-CE2 4.38Å |
| 323 | T | 96.8 | Very high | 93.5 | Very high | 57 Ų | 57 | 41.2 Ų | 41.2 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.3 | 176.5 | 50.5 | 0 | 0 | 0 | 0 | 109.5 | V304 G305 | V304-T323 PolarHBondContact N-O 2.92Å; G305-T323 VanDerWaalsContact CA-OG1 3.25Å; G305-T323 WeakPolarHBondContact CA-OG1 3.49Å; G305-T323 PolarHBondContact N-O 3.35Å; G305-T323 PolarHBondContact N-OG1 2.93Å; G305-T323 VanDerWaalsContact N-OG1 3.16Å; G305-T323 PolarHBondContact O-N 2.66Å; G305-T323 PolarHBondContact O-OG1 3.12Å |
| 324 | Y | 97.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | -119.9 | 154.9 | -175.8 | -69.2 | -93.5 | 0 | 0 | 0 | 112.1 | R280 L282 F300 K302 A303 L322 A330 D333 | R280-Y324 WeakPolarHBondContact O-CB 3.34Å; R280-Y324 PolarHBondContact O-N 3.4Å; L282-Y324 HydrophobicContact CB-CE2 4.19Å; L282-Y324 HydrophobicContact CD1-CD2 4.45Å; L282-Y324 HydrophobicContact CD1-CE2 3.55Å; L282-Y324 HydrophobicContact CG-CD2 4.28Å; L282-Y324 HydrophobicContact CG-CE2 3.71Å; F300-Y324 VanDerWaalsContact CD1-OH 3.3Å; F300-Y324 WeakPolarHBondContact CD1-OH 3.47Å; K302-Y324 HydrophobicContact CB-CE1 4.29Å; A303-Y324 HydrophobicContact CB-CE1 4.23Å; L322-Y324 HydrophobicContact CB-CD2 4.5Å; L322-Y324 HydrophobicContact CB-CE2 3.73Å; L322-Y324 HydrophobicContact CD1-CE2 4.38Å; Y324-A330 HydrophobicContact CD2-CB 3.78Å; Y324-A330 HydrophobicContact CE2-CB 4.4Å; Y324-A330 HydrophobicContact CG-CB 3.98Å; Y324-D333 HydrophobicContact CE1-CB 4.42Å; Y324-D333 WeakPolarHBondContact CE1-OD2 3.46Å; Y324-D333 VanDerWaalsContact CZ-OD2 3.23Å; Y324-D333 WeakPolarHBondContact OH-CB 3.3Å; Y324-D333 PolarHBondContact OH-OD2 2.73Å | ||
| 325 | H | 95.6 | Very high | 94 | Very high | 148 Ų | 148 | 34.3 Ų | 34.3 | 69% | 0.685 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -69.7 | -36.1 | 176 | -156.9 | 77.2 | 0 | 0 | 0 | 111.8 | R280 V304 | R280-H325 VanDerWaalsContact CZ-O 3.26Å; R280-H325 PolarHBondContact NE-O 3.26Å; R280-H325 PolarHBondContact NH2-O 3.48Å; V304-H325 HydrophobicContact CG2-CB 4.03Å |
| 326 | S | 94.9 | Very high | 94.1 | Very high | 53 Ų | 53 | 35.4 Ų | 35.4 | 37% | 0.371 | 17% | 0.173 | S | C | . | . | trans | -130.3 | 153.2 | -177.5 | 176.9 | 0 | 0 | 0 | 0 | 112.5 | H328 T329 A330 | S326-H328 VanDerWaalsContact C-N 3.29Å; S326-H328 PolarHBondContact O-N 3.15Å; S326-H328 PolarHBondContact OG-N 3.49Å; S326-T329 PolarHBondContact N-OG1 2.73Å; S326-T329 PolarHBondContact O-N 3.29Å; S326-T329 PolarHBondContact O-OG1 3.42Å; S326-A330 PolarHBondContact O-N 3.32Å | ||
| 327 | R | 94 | Very high | 94.2 | Very high | 92 Ų | 92 | 36.3 Ų | 36.3 | 35% | 0.347 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.4 | -42.1 | 170.1 | 171.7 | 173.5 | -175 | -165.8 | -2.8 | 111.1 | D167 L170 M279 T329 A330 L331 | D167-R327 IonicContact OD1-CZ 3.84Å; D167-R327 IonicContact OD1-NH1 3.73Å; D167-R327 PolarHBondContact OD1-NH1 2.87Å; D167-R327 IonicContact OD1-NH2 3.99Å; D167-R327 PolarHBondContact OD1-NH2 3.4Å; D167-R327 IonicContact OD2-NH1 2.66Å; D167-R327 IonicContact OD2-NH2 3.91Å; L170-R327 VanDerWaalsContact CD2-NH2 3.34Å; M279-R327 HydrophobicContact CB-CB 4.41Å; M279-R327 HydrophobicContact CB-CG 3.89Å; M279-R327 WeakPolarHBondContact O-CA 3.39Å; R327-T329 VanDerWaalsContact C-N 3.33Å; R327-T329 PolarHBondContact O-N 3.28Å; R327-A330 PolarHBondContact O-N 2.96Å; R327-A330 VanDerWaalsContact O-N 3.15Å; R327-L331 WeakPolarHBondContact O-CB 3.28Å; R327-L331 PolarHBondContact O-N 3.16Å |
| 328 | H | 93 | Very high | 94.3 | Very high | 110 Ų | 110 | 35.8 Ų | 35.8 | 51% | 0.509 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.7 | -39.6 | -178.1 | -176.8 | 66.9 | 0 | 0 | 0 | 112.2 | S326 A330 L331 K332 | S326-H328 VanDerWaalsContact C-N 3.29Å; S326-H328 PolarHBondContact O-N 3.15Å; S326-H328 PolarHBondContact OG-N 3.49Å; H328-A330 PolarHBondContact O-N 3.49Å; H328-L331 PolarHBondContact O-N 2.86Å; H328-K332 PolarHBondContact O-N 2.93Å |
| 329 | T | 94.2 | Very high | 94.3 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 24% | 0.239 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -37.3 | 175.4 | 47.2 | 0 | 0 | 0 | 0 | 112.8 | S326 R327 D333 | S326-T329 PolarHBondContact N-OG1 2.73Å; S326-T329 PolarHBondContact O-N 3.29Å; S326-T329 PolarHBondContact O-OG1 3.42Å; R327-T329 VanDerWaalsContact C-N 3.33Å; R327-T329 PolarHBondContact O-N 3.28Å; T329-D333 PolarHBondContact O-N 3.38Å |
| 330 | A | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.7 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L282 Y324 S326 R327 H328 D333 F334 F351 | L282-A330 HydrophobicContact CD2-CB 4.33Å; L282-A330 HydrophobicContact CG-CB 4.29Å; Y324-A330 HydrophobicContact CD2-CB 3.78Å; Y324-A330 HydrophobicContact CE2-CB 4.4Å; Y324-A330 HydrophobicContact CG-CB 3.98Å; S326-A330 PolarHBondContact O-N 3.32Å; R327-A330 PolarHBondContact O-N 2.96Å; R327-A330 VanDerWaalsContact O-N 3.15Å; H328-A330 PolarHBondContact O-N 3.49Å; A330-D333 PolarHBondContact O-N 3.38Å; A330-F334 WeakPolarHBondContact O-CB 3.4Å; A330-F334 PolarHBondContact O-N 3.4Å; A330-F351 HydrophobicContact CB-CE1 4.05Å |
| 331 | L | 94.3 | Very high | 94.2 | Very high | 17 Ų | 17 | 39.8 Ų | 39.8 | 9% | 0.089 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -46 | 176 | -180 | 61.9 | 0 | 0 | 0 | 111.7 | L164 L170 R327 H328 D333 F334 E335 F351 | L164-L331 HydrophobicContact CB-CD1 4.47Å; L170-L331 HydrophobicContact CD1-CD1 3.43Å; L170-L331 VanDerWaalsContact CD1-CD1 3.43Å; L170-L331 HydrophobicContact CD2-CD1 4.15Å; L170-L331 HydrophobicContact CG-CD1 4.37Å; R327-L331 WeakPolarHBondContact O-CB 3.28Å; R327-L331 PolarHBondContact O-N 3.16Å; H328-L331 PolarHBondContact O-N 2.86Å; L331-D333 VanDerWaalsContact C-N 3.34Å; L331-D333 PolarHBondContact O-N 2.68Å; L331-F334 HydrophobicContact CD1-CD1 4.4Å; L331-F334 WeakPolarHBondContact O-CB 3.32Å; L331-F334 PolarHBondContact O-N 3.42Å; L331-F334 VanDerWaalsContact O-N 3.16Å; L331-E335 PolarHBondContact O-N 2.9Å; L331-F351 HydrophobicContact CD1-CZ 4.41Å |
| 332 | K | 93.3 | Very high | 94 | Very high | 58 Ų | 58 | 38.8 Ų | 38.8 | 25% | 0.252 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.7 | -45.5 | 177.1 | -178.7 | 163.7 | -174.6 | 159.6 | 0 | 112.5 | Y160 H328 E335 L336 | Y160-K332 HydrophobicContact CD1-CD 4.11Å; Y160-K332 HydrophobicContact CD1-CG 4.39Å; Y160-K332 HydrophobicContact CD2-CG 4.24Å; Y160-K332 HydrophobicContact CE1-CB 4.45Å; Y160-K332 HydrophobicContact CE1-CD 3.92Å; Y160-K332 HydrophobicContact CE1-CG 3.98Å; Y160-K332 HydrophobicContact CE2-CB 4.42Å; Y160-K332 HydrophobicContact CE2-CG 3.84Å; Y160-K332 HydrophobicContact CG-CD 4.49Å; H328-K332 PolarHBondContact O-N 2.93Å; K332-E335 PolarHBondContact O-N 2.86Å; K332-L336 WeakPolarHBondContact O-CB 3.34Å; K332-L336 PolarHBondContact O-N 3.39Å |
| 333 | D | 94 | Very high | 93.7 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.8 | -33.4 | 177.8 | -79.4 | 0.5 | 0 | 0 | 0 | 112.1 | L282 F300 Y324 T329 A330 L331 K337 | L282-D333 HydrophobicContact CD1-CB 3.93Å; F300-D333 HydrophobicContact CD1-CB 4.2Å; F300-D333 HydrophobicContact CE1-CB 4.39Å; Y324-D333 HydrophobicContact CE1-CB 4.42Å; Y324-D333 WeakPolarHBondContact CE1-OD2 3.46Å; Y324-D333 VanDerWaalsContact CZ-OD2 3.23Å; Y324-D333 WeakPolarHBondContact OH-CB 3.3Å; Y324-D333 PolarHBondContact OH-OD2 2.73Å; T329-D333 PolarHBondContact O-N 3.38Å; A330-D333 PolarHBondContact O-N 3.38Å; L331-D333 VanDerWaalsContact C-N 3.34Å; L331-D333 PolarHBondContact O-N 2.68Å; D333-K337 HydrophobicContact CB-CG 4.23Å; D333-K337 VanDerWaalsContact O-CB 3.24Å; D333-K337 WeakPolarHBondContact O-CB 3.49Å; D333-K337 PolarHBondContact O-N 3.18Å |
| 334 | F | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 172.9 | 171 | -95 | 0 | 0 | 0 | 111.7 | L164 L170 A173 I174 R177 L282 A330 L331 V349 M350 F351 | L164-F334 HydrophobicContact CD1-CD1 4.11Å; L164-F334 HydrophobicContact CD1-CE1 3.73Å; L170-F334 HydrophobicContact CD1-CD1 4.26Å; L170-F334 HydrophobicContact CD1-CE1 3.98Å; A173-F334 HydrophobicContact CB-CE1 4.39Å; I174-F334 HydrophobicContact CG1-CE1 4.38Å; I174-F334 HydrophobicContact CG1-CE2 4.12Å; I174-F334 HydrophobicContact CG1-CZ 3.66Å; R177-F334 VanDerWaalsContact CZ-CE1 3.48Å; R177-F334 PolarHBondContact NH1-O 2.94Å; R177-F334 PolarHBondContact NH2-O 3.08Å; R177-F334 VanDerWaalsContact NH2-O 3.12Å; L282-F334 HydrophobicContact CD2-CB 4.08Å; A330-F334 WeakPolarHBondContact O-CB 3.4Å; A330-F334 PolarHBondContact O-N 3.4Å; L331-F334 HydrophobicContact CD1-CD1 4.4Å; L331-F334 WeakPolarHBondContact O-CB 3.32Å; L331-F334 PolarHBondContact O-N 3.42Å; L331-F334 VanDerWaalsContact O-N 3.16Å; F334-V349 WeakPolarHBondContact CD2-O 3.45Å; F334-V349 WeakPolarHBondContact CE2-O 3.27Å; F334-M350 HydrophobicContact CE2-SD 4.26Å; F334-F351 HydrophobicContact CB-CE2 3.92Å; F334-F351 HydrophobicContact CB-CZ 4.07Å; F334-F351 AromaticContact CD1-CE2 3.86Å; F334-F351 HydrophobicContact CD1-CE2 3.86Å; F334-F351 AromaticContact CD2-CD2 3.75Å; F334-F351 HydrophobicContact CD2-CD2 3.75Å; F334-F351 AromaticContact CD2-CE2 3.64Å; F334-F351 HydrophobicContact CD2-CE2 3.64Å; F334-F351 HydrophobicContact CE1-CE2 4.26Å; F334-F351 AromaticContact CE2-CD2 3.9Å; F334-F351 HydrophobicContact CE2-CD2 3.9Å; F334-F351 HydrophobicContact CE2-CE2 4.06Å; F334-F351 HydrophobicContact CG-CD2 4.14Å; F334-F351 AromaticContact CG-CE2 3.53Å; F334-F351 HydrophobicContact CG-CE2 3.53Å; F334-F351 HydrophobicContact CG-CZ 4.2Å; F334-F351 HydrophobicContact CZ-CD2 4.41Å; F334-F351 HydrophobicContact CZ-CE2 4.34Å |
| 335 | E | 92.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.8 | -53.8 | 175.9 | -71.5 | 177.1 | 169.9 | 0 | 0 | 111.3 | R157 Y160 L164 L331 K332 | R157-E335 PolarHBondContact NH1-O 2.88Å; Y160-E335 HydrophobicContact CE2-CB 4.21Å; Y160-E335 WeakPolarHBondContact CE2-OE2 3.24Å; Y160-E335 PolarHBondContact OH-OE2 2.89Å; L164-E335 WeakPolarHBondContact CB-OE1 3.37Å; L164-E335 HydrophobicContact CD1-CG 3.68Å; L164-E335 HydrophobicContact CG-CG 4.11Å; L164-E335 WeakPolarHBondContact CG-OE1 3.16Å; L164-E335 PolarHBondContact N-OE1 3.49Å; L331-E335 PolarHBondContact O-N 2.9Å; K332-E335 PolarHBondContact O-N 2.86Å |
| 336 | L | 91.6 | Very high | 92.7 | Very high | 46 Ų | 46 | 37.7 Ų | 37.7 | 24% | 0.241 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -76.2 | -37.6 | -166.1 | -174.5 | 60.6 | 0 | 0 | 0 | 113.8 | R157 K332 | R157-L336 HydrophobicContact CB-CD1 4.43Å; R157-L336 PolarHBondContact NH1-O 2.88Å; R157-L336 VanDerWaalsContact NH1-O 3.11Å; K332-L336 WeakPolarHBondContact O-CB 3.34Å; K332-L336 PolarHBondContact O-N 3.39Å |
| 337 | K | 93 | Very high | 92.6 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -97.4 | -8 | -167.7 | -56.4 | -68.6 | 179.7 | 158 | 0 | 113.8 | L154 V299 F300 D333 G339 T340 V349 | L154-K337 HydrophobicContact CD2-CD 3.79Å; L154-K337 VanDerWaalsContact CD2-NZ 3.35Å; V299-K337 HydrophobicContact CG1-CB 4.45Å; V299-K337 HydrophobicContact CG1-CD 4.01Å; V299-K337 HydrophobicContact CG1-CG 4.49Å; V299-K337 WeakPolarHBondContact O-CE 3.14Å; V299-K337 PolarHBondContact O-NZ 3.5Å; F300-K337 HydrophobicContact CD1-CB 4.33Å; F300-K337 HydrophobicContact CD1-CG 4.11Å; F300-K337 HydrophobicContact CE1-CB 3.5Å; F300-K337 HydrophobicContact CE1-CG 3.78Å; F300-K337 HydrophobicContact CZ-CB 3.95Å; D333-K337 HydrophobicContact CB-CG 4.23Å; D333-K337 VanDerWaalsContact O-CB 3.24Å; D333-K337 WeakPolarHBondContact O-CB 3.49Å; D333-K337 PolarHBondContact O-N 3.18Å; K337-G339 PolarHBondContact O-N 2.9Å; K337-T340 WeakPolarHBondContact O-CB 3.36Å; K337-T340 PolarHBondContact O-N 3.24Å; K337-T340 PolarHBondContact O-OG1 3.19Å; K337-V349 HydrophobicContact CB-CG2 4.4Å |
| 338 | H | 92.7 | Very high | 92.5 | Very high | 27 Ų | 27 | 31.6 Ų | 31.6 | 13% | 0.125 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 130.5 | 171.7 | -179.8 | 43 | 0 | 0 | 0 | 110.9 | I347 Y348 V349 | H338-I347 PolarHBondContact ND1-O 2.7Å; H338-Y348 AromaticContact CE1-CD1 3.46Å; H338-Y348 VanDerWaalsContact CE1-CD1 3.46Å; H338-Y348 WeakPolarHBondContact CE1-CD1 3.41Å; H338-Y348 AromaticContact CE1-CE1 3.63Å; H338-Y348 AromaticContact CE1-CG 3.83Å; H338-V349 HydrophobicContact CB-CB 4.3Å |
| 339 | G | 91.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 24% | 0.237 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | 5.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K337 F341 I347 | K337-G339 PolarHBondContact O-N 2.9Å; G339-F341 PolarHBondContact O-N 3.35Å; G339-I347 PolarHBondContact N-O 3.04Å |
| 340 | T | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -59.4 | 133.7 | 172.7 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | V152 V153 L154 P155 V299 K337 I342 S346 I347 | V152-T340 HydrophobicContact CG1-CG2 4.21Å; V153-T340 WeakPolarHBondContact O-CG2 3.4Å; L154-T340 HydrophobicContact CD2-CG2 3.83Å; P155-T340 WeakPolarHBondContact CD-OG1 3.26Å; V299-T340 HydrophobicContact CG1-CG2 4.03Å; V299-T340 HydrophobicContact CG2-CG2 4.09Å; K337-T340 WeakPolarHBondContact O-CB 3.36Å; K337-T340 PolarHBondContact O-N 3.24Å; K337-T340 PolarHBondContact O-OG1 3.19Å; T340-I342 HydrophobicContact CG2-CG1 4.32Å; T340-S346 WeakPolarHBondContact O-CA 3.38Å; T340-I347 HydrophobicContact CG2-CD1 4.38Å; T340-I347 WeakPolarHBondContact O-CG1 3.41Å; T340-I347 PolarHBondContact O-N 3.03Å | ||
| 341 | F | 92.1 | Very high | 92.7 | Very high | 98 Ų | 98 | 25.1 Ų | 25.1 | 43% | 0.43 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.5 | 174 | -69 | -98.1 | 0 | 0 | 0 | 109.9 | V152 V153 G339 E345 | V152-F341 CarbonylContact C-O 3.03Å; V152-F341 WeakPolarHBondContact CA-O 3.35Å; V153-F341 HydrophobicContact CB-CB 4.16Å; V153-F341 PolarHBondContact N-O 3.05Å; V153-F341 PolarHBondContact O-N 2.96Å; G339-F341 PolarHBondContact O-N 3.35Å; F341-E345 CarbonylContact C-O 3.5Å; F341-E345 VanDerWaalsContact CA-O 3.26Å; F341-E345 WeakPolarHBondContact CA-O 3.06Å |
| 342 | I | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126.9 | 170.6 | -56 | -175.7 | 0 | 0 | 0 | 106.6 | S151 V152 L287 P288 T291 D295 L296 V299 T340 G344 E345 I347 | S151-I342 CarbonylContact O-C 3.59Å; S151-I342 WeakPolarHBondContact O-CA 3.33Å; V152-I342 HydrophobicContact CG2-CG1 4.47Å; V152-I342 HydrophobicContact CG2-CG2 4.47Å; L287-I342 HydrophobicContact CD2-CD1 4.19Å; P288-I342 WeakPolarHBondContact CG-O 3.49Å; T291-I342 HydrophobicContact CG2-CG2 4.12Å; D295-I342 HydrophobicContact CB-CG2 4.24Å; L296-I342 HydrophobicContact CD2-CD1 4.2Å; V299-I342 HydrophobicContact CG2-CD1 3.94Å; V299-I342 HydrophobicContact CG2-CG1 4.26Å; T340-I342 HydrophobicContact CG2-CG1 4.32Å; I342-G344 PolarHBondContact O-N 3.25Å; I342-G344 VanDerWaalsContact O-N 3.11Å; I342-E345 PolarHBondContact N-O 3.47Å; I342-E345 PolarHBondContact O-N 3.2Å; I342-I347 HydrophobicContact CB-CG2 4.26Å; I342-I347 HydrophobicContact CD1-CD1 4.01Å; I342-I347 HydrophobicContact CD1-CG2 3.83Å; I342-I347 HydrophobicContact CG1-CD1 4.49Å; I342-I347 HydrophobicContact CG1-CG2 3.88Å |
| 343 | H | 90.5 | Very high | 92.5 | Very high | 75 Ų | 75 | 26.7 Ų | 26.7 | 35% | 0.347 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 36.2 | -174.5 | -58 | -73.2 | 0 | 0 | 0 | 113.2 | S151 P288 A290 D295 E345 | S151-H343 PolarHBondContact O-N 2.63Å; S151-H343 VanDerWaalsContact OG-CA 3.24Å; S151-H343 WeakPolarHBondContact OG-CA 3.11Å; S151-H343 PolarHBondContact OG-CD2 2.93Å; S151-H343 PolarHBondContact OG-CE1 2.71Å; S151-H343 PolarHBondContact OG-N 3.02Å; S151-H343 PolarHBondContact OG-ND1 3.11Å; S151-H343 PolarHBondContact OG-NE2 3.32Å; P288-H343 HydrophobicContact CB-CB 4.12Å; P288-H343 HydrophobicContact CG-CB 3.85Å; A290-H343 PolarHBondContact O-NE2 3.13Å; D295-H343 IonicContact OD2-CD2 3.57Å; D295-H343 IonicContact OD2-CE1 3.49Å; D295-H343 IonicContact OD2-NE2 3.58Å; D295-H343 PolarHBondContact OD2-NE2 3.16Å; H343-E345 VanDerWaalsContact C-N 3.35Å; H343-E345 PolarHBondContact O-N 2.99Å |
| 344 | G | 87.6 | Confident | 92.3 | Very high | 48 Ų | 48 | 30.2 Ų | 30.2 | 50% | 0.495 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 6.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I342 | I342-G344 PolarHBondContact O-N 3.25Å; I342-G344 VanDerWaalsContact O-N 3.11Å |
| 345 | E | 88.3 | Confident | 91.2 | Very high | 33 Ų | 33 | 34.7 Ų | 34.7 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.3 | 176.8 | -57.5 | 180 | 166.9 | 0 | 0 | 111.2 | V208 P288 F341 I342 H343 | V208-E345 HydrophobicContact CG1-CB 3.95Å; V208-E345 HydrophobicContact CG1-CG 4.08Å; V208-E345 WeakPolarHBondContact CG1-OE2 3.4Å; P288-E345 WeakPolarHBondContact CA-OE2 3.06Å; P288-E345 WeakPolarHBondContact CB-OE2 3.19Å; P288-E345 HydrophobicContact CG-CB 3.97Å; P288-E345 HydrophobicContact CG-CG 4.17Å; P288-E345 WeakPolarHBondContact CG-OE2 2.91Å; F341-E345 CarbonylContact C-O 3.5Å; F341-E345 VanDerWaalsContact CA-O 3.26Å; F341-E345 WeakPolarHBondContact CA-O 3.06Å; I342-E345 PolarHBondContact N-O 3.47Å; I342-E345 PolarHBondContact O-N 3.2Å; H343-E345 VanDerWaalsContact C-N 3.35Å; H343-E345 PolarHBondContact O-N 2.99Å |
| 346 | S | 91.9 | Very high | 89.6 | Confident | 33 Ų | 33 | 39.1 Ų | 39.1 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 134.1 | 179.6 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | H286 T340 | H286-S346 WeakPolarHBondContact CB-O 3.38Å; T340-S346 WeakPolarHBondContact O-CA 3.38Å |
| 347 | I | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -95.2 | 146.5 | -179.4 | 75.6 | -176.4 | 0 | 0 | 0 | 112.3 | V284 L287 V299 F300 H338 G339 T340 I342 V349 | V284-I347 HydrophobicContact CG1-CB 4.15Å; V284-I347 HydrophobicContact CG1-CD1 3.98Å; V284-I347 HydrophobicContact CG1-CG1 4.33Å; L287-I347 HydrophobicContact CD2-CB 4.36Å; L287-I347 HydrophobicContact CD2-CG2 3.69Å; V299-I347 HydrophobicContact CG1-CD1 4.32Å; F300-I347 HydrophobicContact CE2-CD1 4.03Å; F300-I347 HydrophobicContact CZ-CD1 3.92Å; H338-I347 PolarHBondContact ND1-O 2.7Å; G339-I347 PolarHBondContact N-O 3.04Å; T340-I347 HydrophobicContact CG2-CD1 4.38Å; T340-I347 WeakPolarHBondContact O-CG1 3.41Å; T340-I347 PolarHBondContact O-N 3.03Å; I342-I347 HydrophobicContact CB-CG2 4.26Å; I342-I347 HydrophobicContact CD1-CD1 4.01Å; I342-I347 HydrophobicContact CD1-CG2 3.83Å; I342-I347 HydrophobicContact CG1-CD1 4.49Å; I342-I347 HydrophobicContact CG1-CG2 3.88Å; I347-V349 HydrophobicContact CD1-CG2 4.32Å; I347-V349 HydrophobicContact CG1-CG2 4.25Å |
| 348 | Y | 93 | Very high | 85.8 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.2 | 170.9 | -84.9 | -108.7 | 0 | 0 | 0 | 110.3 | E180 M181 H184 V284 L285 H286 H338 | E180-Y348 HydrophobicContact CG-CE1 4.49Å; E180-Y348 PolarHBondContact OE1-OH 3.04Å; M181-Y348 HydrophobicContact CB-CD1 4.25Å; M181-Y348 HydrophobicContact CB-CE1 4.28Å; H184-Y348 PolarHBondContact ND1-OH 3.48Å; V284-Y348 CarbonylContact C-O 3.54Å; V284-Y348 VanDerWaalsContact CA-O 3.28Å; V284-Y348 WeakPolarHBondContact CA-O 3.46Å; L285-Y348 PolarHBondContact N-O 3.48Å; L285-Y348 PolarHBondContact O-N 3.04Å; H286-Y348 HydrophobicContact CB-CD2 4.45Å; H286-Y348 AromaticContact CE1-CD2 3.2Å; H286-Y348 WeakPolarHBondContact CE1-CD2 3.24Å; H286-Y348 AromaticContact CE1-CE2 3.35Å; H286-Y348 WeakPolarHBondContact CE1-CE2 3.49Å; H286-Y348 AromaticContact CE1-CG 3.83Å; H286-Y348 AromaticContact CG-CD2 3.75Å; H286-Y348 AromaticContact ND1-CD2 3.11Å; H286-Y348 WeakPolarHBondContact ND1-CD2 3.44Å; H286-Y348 AromaticContact ND1-CE2 3.4Å; H286-Y348 WeakPolarHBondContact ND1-CE2 3.28Å; H286-Y348 AromaticContact NE2-CD2 3.85Å; H338-Y348 AromaticContact CE1-CD1 3.46Å; H338-Y348 VanDerWaalsContact CE1-CD1 3.46Å; H338-Y348 WeakPolarHBondContact CE1-CD1 3.41Å; H338-Y348 AromaticContact CE1-CE1 3.63Å; H338-Y348 AromaticContact CE1-CG 3.83Å |
| 349 | V | 95.4 | Very high | 83.5 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.9 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | R177 L282 V284 F300 F334 K337 H338 I347 | R177-V349 PolarHBondContact NH1-O 2.82Å; L282-V349 HydrophobicContact CB-CG1 4.29Å; L282-V349 HydrophobicContact CD1-CG1 3.74Å; L282-V349 HydrophobicContact CD2-CG1 4.47Å; L282-V349 HydrophobicContact CG-CG1 4.39Å; V284-V349 HydrophobicContact CG2-CG2 4.45Å; F300-V349 HydrophobicContact CE1-CG2 4.25Å; F300-V349 HydrophobicContact CZ-CG2 3.86Å; F334-V349 WeakPolarHBondContact CD2-O 3.45Å; F334-V349 WeakPolarHBondContact CE2-O 3.27Å; K337-V349 HydrophobicContact CB-CG2 4.4Å; H338-V349 HydrophobicContact CB-CB 4.3Å; I347-V349 HydrophobicContact CD1-CG2 4.32Å; I347-V349 HydrophobicContact CG1-CG2 4.25Å |
| 350 | M | 94.4 | Very high | 81.1 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 4% | 0.044 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 156.2 | -176.4 | -174.8 | 51.9 | 68.7 | 0 | 0 | 110.4 | I174 R177 L178 L282 H283 F334 | I174-M350 HydrophobicContact CB-SD 4.47Å; I174-M350 HydrophobicContact CG2-SD 3.81Å; R177-M350 HydrophobicContact CB-CE 3.44Å; R177-M350 VanDerWaalsContact CB-CE 3.44Å; L178-M350 HydrophobicContact CD2-CE 3.88Å; L178-M350 HydrophobicContact CD2-CG 4.24Å; L178-M350 HydrophobicContact CD2-SD 4.26Å; L178-M350 HydrophobicContact CG-CE 3.74Å; L178-M350 HydrophobicContact CG-SD 4.18Å; L282-M350 CarbonylContact C-O 3.56Å; L282-M350 VanDerWaalsContact CA-O 3.28Å; L282-M350 WeakPolarHBondContact CA-O 3.46Å; H283-M350 PolarHBondContact N-O 3.24Å; H283-M350 PolarHBondContact O-N 2.93Å; F334-M350 HydrophobicContact CE2-SD 4.26Å |
| 351 | F | 95.7 | Very high | 78.7 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 144 | 167.2 | -74.7 | -83.4 | 0 | 0 | 0 | 111.1 | L170 I174 F277 M279 L282 A330 L331 F334 L353 | L170-F351 HydrophobicContact CD1-CE2 3.92Å; I174-F351 HydrophobicContact CD1-CD2 3.55Å; I174-F351 HydrophobicContact CD1-CE2 4.08Å; I174-F351 HydrophobicContact CD1-CG 4.41Å; I174-F351 HydrophobicContact CG1-CD2 3.91Å; I174-F351 HydrophobicContact CG1-CE2 4.45Å; F277-F351 HydrophobicContact CB-CB 3.89Å; F277-F351 HydrophobicContact CD1-CB 4.09Å; F277-F351 HydrophobicContact CG-CB 4.27Å; M279-F351 HydrophobicContact SD-CD1 4.17Å; M279-F351 HydrophobicContact SD-CE1 4.24Å; M279-F351 HydrophobicContact SD-CG 4.36Å; L282-F351 HydrophobicContact CD2-CD1 3.6Å; L282-F351 HydrophobicContact CD2-CD2 4.43Å; L282-F351 HydrophobicContact CD2-CE1 3.66Å; L282-F351 HydrophobicContact CD2-CE2 4.46Å; L282-F351 HydrophobicContact CD2-CG 4.03Å; L282-F351 HydrophobicContact CD2-CZ 4.11Å; A330-F351 HydrophobicContact CB-CE1 4.05Å; L331-F351 HydrophobicContact CD1-CZ 4.41Å; F334-F351 HydrophobicContact CB-CE2 3.92Å; F334-F351 HydrophobicContact CB-CZ 4.07Å; F334-F351 AromaticContact CD1-CE2 3.86Å; F334-F351 HydrophobicContact CD1-CE2 3.86Å; F334-F351 AromaticContact CD2-CD2 3.75Å; F334-F351 HydrophobicContact CD2-CD2 3.75Å; F334-F351 AromaticContact CD2-CE2 3.64Å; F334-F351 HydrophobicContact CD2-CE2 3.64Å; F334-F351 HydrophobicContact CE1-CE2 4.26Å; F334-F351 AromaticContact CE2-CD2 3.9Å; F334-F351 HydrophobicContact CE2-CD2 3.9Å; F334-F351 HydrophobicContact CE2-CE2 4.06Å; F334-F351 HydrophobicContact CG-CD2 4.14Å; F334-F351 AromaticContact CG-CE2 3.53Å; F334-F351 HydrophobicContact CG-CE2 3.53Å; F334-F351 HydrophobicContact CG-CZ 4.2Å; F334-F351 HydrophobicContact CZ-CD2 4.41Å; F334-F351 HydrophobicContact CZ-CE2 4.34Å; F351-L353 PolarHBondContact O-N 3.05Å |
| 352 | L | 93.8 | Very high | 76.3 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 126.2 | -179.3 | -177.4 | 69.9 | 0 | 0 | 0 | 110.2 | F277 D278 S281 H283 T321 K354 | F277-L352 CarbonylContact C-O 3.46Å; F277-L352 WeakPolarHBondContact CA-O 3.44Å; D278-L352 HydrophobicContact CB-CB 4.42Å; D278-L352 PolarHBondContact N-O 2.88Å; S281-L352 WeakPolarHBondContact O-CB 3.44Å; S281-L352 PolarHBondContact O-N 3.27Å; H283-L352 HydrophobicContact CB-CD1 4.09Å; T321-L352 HydrophobicContact CG2-CD1 4.19Å; T321-L352 HydrophobicContact CG2-CD2 3.85Å; L352-K354 PolarHBondContact O-N 3.08Å |
| 353 | L | 90.5 | Very high | 74.1 | Confident | 61 Ų | 61 | 70.4 Ų | 70.4 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 127.9 | 173.9 | -163.9 | 71.7 | 0 | 0 | 0 | 110.4 | R272 D276 F277 F351 N355 | R272-L353 VanDerWaalsContact NH1-CD1 3.33Å; D276-L353 HydrophobicContact CB-CD1 3.95Å; D276-L353 WeakPolarHBondContact O-CD1 3.5Å; F277-L353 HydrophobicContact CD1-CD1 3.96Å; F277-L353 HydrophobicContact CE1-CD1 3.82Å; F277-L353 HydrophobicContact CZ-CD1 4.25Å; F351-L353 PolarHBondContact O-N 3.05Å; L353-N355 PolarHBondContact O-N 3.45Å |
| 354 | K | 88 | Confident | 72 | Confident | 82 Ų | 82 | 69.5 Ų | 69.5 | 36% | 0.357 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 129.7 | 172.5 | -64.7 | 179.9 | -171.5 | 143.4 | 0 | 108.6 | S275 D276 F277 D278 L352 I359 | S275-K354 WeakPolarHBondContact O-CD 3.47Å; S275-K354 PolarHBondContact O-NZ 3.22Å; D276-K354 WeakPolarHBondContact O-CB 3.49Å; D276-K354 PolarHBondContact O-N 3.31Å; F277-K354 WeakPolarHBondContact O-CE 3.27Å; F277-K354 PolarHBondContact O-NZ 3.36Å; D278-K354 HydrophobicContact CB-CG 4.16Å; L352-K354 PolarHBondContact O-N 3.08Å; K354-I359 HydrophobicContact CB-CD1 4.24Å; K354-I359 HydrophobicContact CD-CD1 4.13Å |
| 355 | N | 73.3 | Confident | 70.2 | Confident | 94 Ų | 94 | 75 Ų | 75 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 125.3 | 168.8 | -71.9 | -57.4 | 0 | 0 | 0 | 108.1 | L353 K357 K358 | L353-N355 PolarHBondContact O-N 3.45Å; N355-K357 PolarHBondContact O-N 2.89Å; N355-K358 HydrophobicContact CB-CG 4.42Å; N355-K358 PolarHBondContact O-N 3.13Å |
| 356 | P | 59.1 | Low | 68.4 | Low | 106 Ų | 106 | 81.7 Ų | 81.7 | 69% | 0.688 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -56.5 | -31.4 | -179.2 | 19.9 | -31.2 | 0 | 0 | 0 | 111.7 | K358 | P356-K358 VanDerWaalsContact C-N 3.33Å; P356-K358 PolarHBondContact O-N 3.14Å |
| 357 | K | 55.1 | Low | 66.4 | Low | 168 Ų | 168 | 86.5 Ų | 86.5 | 73% | 0.73 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -73.2 | -12.4 | -178.8 | -61.2 | -168.3 | 177.1 | -168.2 | 0 | 115.9 | N355 | N355-K357 PolarHBondContact O-N 2.89Š|
| 358 | K | 49.2 | Very low | 64.4 | Low | 141 Ų | 141 | 89 Ų | 89 | 61% | 0.613 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -97.2 | -9.2 | -178.9 | -71.8 | -168.3 | 178.3 | -175.2 | 0 | 114 | N355 P356 | N355-K358 HydrophobicContact CB-CG 4.42Å; N355-K358 PolarHBondContact O-N 3.13Å; P356-K358 VanDerWaalsContact C-N 3.33Å; P356-K358 PolarHBondContact O-N 3.14Å |
| 359 | I | 44.6 | Very low | 62.6 | Low | 86 Ų | 86 | 91.2 Ų | 91.2 | 44% | 0.441 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -82.6 | -35.5 | -176 | -61.6 | 169.7 | 0 | 0 | 0 | 111.1 | K354 I361 | K354-I359 HydrophobicContact CB-CD1 4.24Å; K354-I359 HydrophobicContact CD-CD1 4.13Å; I359-I361 PolarHBondContact O-N 3.17Å |
| 360 | S | 40.1 | Very low | 60.5 | Low | 84 Ų | 84 | 96.8 Ų | 96.8 | 59% | 0.587 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.7 | -27.9 | -176.6 | 82.9 | 0 | 0 | 0 | 0 | 114.2 | A364 | S360-A364 VanDerWaalsContact O-CB 3.26Å; S360-A364 WeakPolarHBondContact O-CB 3.36Å; S360-A364 PolarHBondContact O-N 3.01Å |
| 361 | I | 43.4 | Very low | 58.6 | Low | 112 Ų | 112 | 102 Ų | 102 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -77.6 | -30.6 | -175.7 | -55.6 | 175 | 0 | 0 | 0 | 112.4 | I359 K365 | I359-I361 PolarHBondContact O-N 3.17Å; I361-K365 WeakPolarHBondContact O-CB 3.39Å; I361-K365 PolarHBondContact O-N 3.05Å; I361-K365 VanDerWaalsContact O-N 3.12Å |
| 362 | R | 42 | Very low | 56.3 | Low | 183 Ų | 183 | 111.4 Ų | 111.4 | 69% | 0.691 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -80.1 | -31.8 | -179.4 | -71.3 | -168.2 | -156.1 | 162.2 | 6 | 113.3 | R366 | R362-R366 WeakPolarHBondContact O-CG 3.4Å; R362-R366 PolarHBondContact O-N 2.98Å |
| 363 | N | 45.7 | Very low | 54.2 | Low | 95 Ų | 95 | 117.2 Ų | 117.2 | 51% | 0.508 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -77.4 | -36.6 | 176 | -68.1 | -5.3 | 0 | 0 | 0 | 110.7 | K365 R366 Q367 | N363-K365 PolarHBondContact O-N 2.89Å; N363-R366 PolarHBondContact O-N 3.44Å; N363-Q367 PolarHBondContact O-N 3.37Å |
| 364 | A | 46.8 | Very low | 52.1 | Low | 57 Ų | 57 | 121.8 Ų | 121.8 | 47% | 0.471 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.1 | -37.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S360 A368 | S360-A364 VanDerWaalsContact O-CB 3.26Å; S360-A364 WeakPolarHBondContact O-CB 3.36Å; S360-A364 PolarHBondContact O-N 3.01Å; A364-A368 WeakPolarHBondContact O-CB 3.46Å; A364-A368 PolarHBondContact O-N 3.03Å |
| 365 | K | 49.6 | Very low | 50.1 | Low | 163 Ų | 163 | 125.5 Ų | 125.5 | 71% | 0.709 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.6 | -21.4 | 176.3 | -103.2 | -174.1 | 176.3 | -175 | 0 | 114.9 | I361 N363 S369 | I361-K365 WeakPolarHBondContact O-CB 3.39Å; I361-K365 PolarHBondContact O-N 3.05Å; I361-K365 VanDerWaalsContact O-N 3.12Å; N363-K365 PolarHBondContact O-N 2.89Å; K365-S369 PolarHBondContact O-N 3Å; K365-S369 PolarHBondContact O-OG 3.27Å |
| 366 | R | 50.3 | Low | 49.2 | Very low | 174 Ų | 174 | 127.3 Ų | 127.3 | 66% | 0.657 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -83.9 | -41.4 | 174.2 | -74.7 | 179.8 | 176.7 | -175.7 | -4.3 | 111.3 | R362 N363 S369 D370 | R362-R366 WeakPolarHBondContact O-CG 3.4Å; R362-R366 PolarHBondContact O-N 2.98Å; N363-R366 PolarHBondContact O-N 3.44Å; R366-S369 PolarHBondContact O-N 2.94Å; R366-S369 PolarHBondContact O-OG 3.45Å; R366-D370 VanDerWaalsContact O-CG 3.31Å; R366-D370 PolarHBondContact O-N 2.89Å; R366-D370 VanDerWaalsContact O-N 3.11Å |
| 367 | Q | 50.7 | Low | 48.4 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.9 | -34.3 | 172.5 | -71.2 | -173.7 | -4 | 0 | 0 | 112.1 | N363 S369 D370 I371 | N363-Q367 PolarHBondContact O-N 3.37Å; Q367-S369 PolarHBondContact O-N 2.85Å; Q367-D370 PolarHBondContact O-N 3.27Å; Q367-I371 HydrophobicContact CB-CD1 4.3Å; Q367-I371 VanDerWaalsContact O-CB 3.28Å; Q367-I371 WeakPolarHBondContact O-CB 3.25Å; Q367-I371 WeakPolarHBondContact O-CD1 3.38Å; Q367-I371 WeakPolarHBondContact O-CG1 3.49Å; Q367-I371 PolarHBondContact O-N 2.84Å |
| 368 | A | 52.2 | Low | 48 | Very low | 52 Ų | 52 | 126.8 Ų | 126.8 | 43% | 0.43 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -73.8 | -21.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A364 Y372 | A364-A368 WeakPolarHBondContact O-CB 3.46Å; A364-A368 PolarHBondContact O-N 3.03Å; A368-Y372 WeakPolarHBondContact O-CD2 3.32Å |
| 369 | S | 54.5 | Low | 48 | Very low | 63 Ų | 63 | 126 Ų | 126 | 44% | 0.441 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -80.3 | -28 | 170.2 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | K365 R366 Q367 | K365-S369 PolarHBondContact O-N 3Å; K365-S369 PolarHBondContact O-OG 3.27Å; R366-S369 PolarHBondContact O-N 2.94Å; R366-S369 PolarHBondContact O-OG 3.45Å; Q367-S369 PolarHBondContact O-N 2.85Å |
| 370 | D | 50.5 | Low | 47.9 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -90 | -14.1 | -178.7 | -63 | -13 | 0 | 0 | 0 | 112.9 | R366 Q367 | R366-D370 VanDerWaalsContact O-CG 3.31Å; R366-D370 PolarHBondContact O-N 2.89Å; R366-D370 VanDerWaalsContact O-N 3.11Å; Q367-D370 PolarHBondContact O-N 3.27Å |
| 371 | I | 54.9 | Low | 48.4 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 61% | 0.605 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -94.3 | -8.9 | 177.9 | -67.8 | 167.4 | 0 | 0 | 0 | 113.1 | Q367 | Q367-I371 HydrophobicContact CB-CD1 4.3Å; Q367-I371 VanDerWaalsContact O-CB 3.28Å; Q367-I371 WeakPolarHBondContact O-CB 3.25Å; Q367-I371 WeakPolarHBondContact O-CD1 3.38Å; Q367-I371 WeakPolarHBondContact O-CG1 3.49Å; Q367-I371 PolarHBondContact O-N 2.84Å |
| 372 | Y | 48.1 | Very low | 48.4 | Very low | 200 Ų | 200 | 130.8 Ų | 130.8 | 78% | 0.784 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -113.3 | 24.6 | 176.9 | -76.3 | -83.4 | 0 | 0 | 0 | 113.8 | A368 | A368-Y372 WeakPolarHBondContact O-CD2 3.32Š|
| 373 | Q | 50.5 | Low | 48.7 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 79% | 0.794 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -115.9 | 17.4 | 171.5 | -144 | 173.4 | -13 | 0 | 0 | 113.4 | ||
| 374 | M | 45.4 | Very low | 48.8 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 77% | 0.768 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -123.6 | 136.8 | 163.3 | -57.2 | -167.9 | 71.1 | 0 | 0 | 106.3 | ||
| 375 | D | 45.7 | Very low | 48.9 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | 78.8 | 76.4 | -178.1 | -55.3 | -32.3 | 0 | 0 | 0 | 117.8 | ||||
| 376 | V | 53.9 | Low | 48.9 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | trans | -145.4 | 129.6 | 141.3 | -156.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 377 | D | 43.3 | Very low | 48.6 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | 79 | 76.8 | 165.6 | -65.5 | -21.3 | 0 | 0 | 0 | 119.4 | ||||
| 378 | S | 47.1 | Very low | 48.4 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 92% | 0.916 | 74% | 0.737 | S | S | * | * | trans | -137.5 | 85.6 | 134.3 | -68.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 379 | T | 48.9 | Very low | 48.3 | Very low | 124 Ų | 124 | 141 Ų | 141 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 137.2 | 168 | 33.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 380 | P | 41.8 | Very low | 47.9 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 136.6 | -172.4 | 33.3 | -32 | 0 | 0 | 0 | 111.5 | ||
| 381 | T | 51.9 | Low | 47.8 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 136.3 | 162.1 | 43.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 382 | P | 42.5 | Very low | 47.7 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 120.9 | 174 | 33 | -26.7 | 0 | 0 | 0 | 108.9 | ||
| 383 | H | 47.6 | Very low | 47.7 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -132.6 | 126.4 | 159.3 | -147.9 | -73.6 | 0 | 0 | 0 | 110.2 | ||||
| 384 | K | 48.2 | Very low | 47.7 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | -61.7 | 134.3 | 174.8 | -63.8 | 170.9 | 173.3 | 176.1 | 0 | 109.5 | ||||
| 385 | D | 48.7 | Very low | 47.7 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | 153.3 | 121.6 | 111.3 | -82.5 | -46.2 | 0 | 0 | 0 | 113 | |||||
| 386 | K | 49.9 | Very low | 48.4 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 65.7 | 117.8 | 136.9 | -63.6 | 178.4 | -177.7 | 178 | 0 | 121.7 | ||||
| 387 | C | 43.6 | Very low | 48.2 | Very low | 128 Ų | 128 | 135 Ų | 135 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | trans | 68.5 | 147.9 | 137.7 | -64.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 388 | A | 48 | Very low | 48.2 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | cis | -178.1 | 137.6 | -23.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 389 | K | 48.8 | Very low | 48.1 | Very low | 208 Ų | 208 | 135.9 Ų | 135.9 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | trans | 66.9 | 150.4 | 155.7 | -64.2 | 173.9 | -177.4 | -179.1 | 0 | 116.6 | ||||
| 390 | A | 46.1 | Very low | 48.1 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | cis | -177.7 | 138 | -5.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 391 | V | 48.2 | Very low | 48.2 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 84.9 | 142.2 | 130.6 | -174.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 392 | V | 52.6 | Low | 48.1 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | 97.3 | 95.2 | 153.6 | -159.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 393 | D | 48.2 | Very low | 48.1 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | 62.3 | 139.4 | 119.1 | -66.6 | -50.4 | 0 | 0 | 0 | 126.9 | |||||
| 394 | H | 50.9 | Low | 48.2 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | trans | 99.9 | 127.4 | 143.3 | -62.2 | -28.9 | 0 | 0 | 0 | 121.3 | ||||
| 395 | P | 46.9 | Very low | 48.3 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | trans | -110.7 | -173.5 | 174.5 | 37.5 | -23.6 | 0 | 0 | 0 | 115 | ||||
| 396 | I | 58.6 | Low | 48.1 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | 86.6 | 160.5 | 160.9 | -15.2 | -178.5 | 0 | 0 | 0 | 117.6 | ||||
| 397 | P | 51.6 | Low | 47.9 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | -128.3 | -171.3 | -85.5 | 38.4 | -21.2 | 0 | 0 | 0 | 114 | |||||
| 398 | M | 43 | Very low | 47.8 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | 150.1 | 133.6 | 124.1 | -76.3 | -156.4 | -48.5 | 0 | 0 | 113.5 | |||||
| 399 | S | 45 | Very low | 47.7 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 55.2 | 150.3 | 145.4 | -112.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 400 | I | 48.5 | Very low | 47.4 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | cis | -164.9 | 162.5 | 25.2 | -160.5 | 154 | 0 | 0 | 0 | 109.5 | ||||
| 401 | D | 43 | Very low | 47.4 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -16.2 | 144.5 | 171.4 | -64.7 | -47.2 | 0 | 0 | 0 | 121.1 | ||||
| 402 | S | 49.5 | Very low | 47.3 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | 178.8 | 152.6 | 114.7 | -167.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 403 | F | 43.4 | Very low | 46.8 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -77.8 | 152.3 | -163.4 | -95.8 | -106.1 | 0 | 0 | 0 | 118 | ||||
| 404 | D | 49.1 | Very low | 46.3 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | 67.4 | 134.7 | 147.1 | -94.3 | -25.5 | 0 | 0 | 0 | 124.4 | ||||
| 405 | P | 49.9 | Very low | 46.3 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | -104.7 | 144.9 | 179.1 | 38.9 | -28.7 | 0 | 0 | 0 | 114 | ||||
| 406 | E | 45.4 | Very low | 46.2 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -142.8 | 108.9 | 160.1 | -143.6 | -173.6 | -169.5 | 0 | 0 | 109.4 | ||||
| 407 | F | 45.1 | Very low | 45.3 | Very low | 209 Ų | 209 | 143.6 Ų | 143.6 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -137.6 | 114.1 | 167.2 | -100.8 | -82.6 | 0 | 0 | 0 | 112 | ||||
| 408 | K | 42.8 | Very low | 45.3 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | trans | -80.7 | 165.6 | 155.6 | -74.7 | 170.2 | 176 | 162.4 | 0 | 109.2 | ||||
| 409 | I | 44.6 | Very low | 45.3 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 131.5 | 101.5 | 140.1 | -62.5 | 157.5 | 0 | 0 | 0 | 113.3 | ||||
| 410 | A | 43.7 | Very low | 45.5 | Very low | 82 Ų | 82 | 149.7 Ų | 149.7 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | 47.4 | 143.4 | 121.8 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 411 | K | 45.4 | Very low | 45.3 | Very low | 202 Ų | 202 | 152.2 Ų | 152.2 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | 72.6 | 126.4 | 140.8 | -80.7 | 172.1 | 177 | 175.6 | 0 | 119.2 | ||||
| 412 | S | 46.4 | Very low | 45.6 | Very low | 129 Ų | 129 | 155 Ų | 155 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | -166.3 | 158.6 | 114.8 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 413 | L | 42.2 | Very low | 45.6 | Very low | 171 Ų | 171 | 159 Ų | 159 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | trans | -106.7 | 154.4 | -162.9 | -177.1 | 71.5 | 0 | 0 | 0 | 110 | ||||
| 414 | A | 38.1 | Very low | 46 | Very low | 86 Ų | 86 | 155.5 Ų | 155.5 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | -52.9 | 159.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 415 | K | 49.2 | Very low | 45.9 | Very low | 204 Ų | 204 | 158.8 Ų | 158.8 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -158.3 | 139.8 | 139.9 | -103.6 | 167.1 | -169.8 | -175.9 | 0 | 112.7 | ||||
| 416 | S | 45.3 | Very low | 45.7 | Very low | 119 Ų | 119 | 159.4 Ų | 159.4 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | trans | -30.7 | 158.6 | 167.4 | 53.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 417 | G | 40.6 | Very low | 45.6 | Very low | 68 Ų | 68 | 155.3 Ų | 155.3 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | cis | 153.1 | 144.6 | 8.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 418 | K | 51.8 | Low | 45.6 | Very low | 216 Ų | 216 | 151.3 Ų | 151.3 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | trans | 153.4 | 148.2 | 141.8 | -85.8 | 178.8 | -176.7 | -179.9 | 0 | 112.1 | ||||
| 419 | P | 42.2 | Very low | 45.7 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -113.7 | 150.4 | -154.6 | 37.4 | -24.1 | 0 | 0 | 0 | 114.3 | ||||
| 420 | L | 48.7 | Very low | 45.8 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 96% | 0.958 | 82% | 0.819 | S | S | * | * | trans | -140.6 | 136.8 | 161.9 | -91.4 | 164.2 | 0 | 0 | 0 | 111.2 | ||||
| 421 | K | 46 | Very low | 45.6 | Very low | 196 Ų | 196 | 155.5 Ų | 155.5 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | trans | -72.7 | 137.4 | -170.6 | -58.7 | 174 | 176.7 | 176.2 | 0 | 111.9 | ||||
| 422 | K | 49.2 | Very low | 45.6 | Very low | 197 Ų | 197 | 152.2 Ų | 152.2 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | 176.6 | 112.2 | 131.1 | -97.9 | 163.6 | -176.8 | 179.1 | 0 | 113 | ||||
| 423 | K | 48.7 | Very low | 45.7 | Very low | 207 Ų | 207 | 154 Ų | 154 | 90% | 0.9 | 82% | 0.817 | S | S | * | * | trans | 30.2 | 102.7 | 140.6 | -55.7 | -178.1 | 179.6 | -179 | 0 | 118.9 | ||||
| 424 | S | 50.8 | Low | 45.9 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -158.4 | 135.7 | 131.3 | 88.4 | 0 | 0 | 0 | 0 | 110 | V426 | S424-V426 PolarHBondContact O-N 3.2Š| ||
| 425 | K | 47.7 | Very low | 46.2 | Very low | 216 Ų | 216 | 154.4 Ų | 154.4 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -75.1 | 115.7 | -178.3 | -75.5 | 171.5 | 172.9 | 174.8 | 0 | 109.9 | ||||
| 426 | V | 46.1 | Very low | 46.7 | Very low | 127 Ų | 127 | 150.1 Ų | 150.1 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -121.3 | 113.8 | 157.7 | 174 | 0 | 0 | 0 | 0 | 107 | S424 T428 | S424-V426 PolarHBondContact O-N 3.2Å; V426-T428 PolarHBondContact O-N 3.14Å | ||
| 427 | A | 44.2 | Very low | 46.6 | Very low | 91 Ų | 91 | 152.7 Ų | 152.7 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -83.9 | 108.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V429 | A427-V429 PolarHBondContact O-N 3.14Š| ||
| 428 | T | 43.5 | Very low | 47 | Very low | 125 Ų | 125 | 155.9 Ų | 155.9 | 77% | 0.767 | 82% | 0.816 | S | S | * | * | trans | -70.9 | 108.2 | 162.7 | -53.1 | 0 | 0 | 0 | 0 | 108.1 | V426 H430 | V426-T428 PolarHBondContact O-N 3.14Å; T428-H430 PolarHBondContact O-N 3.35Å | ||
| 429 | V | 46 | Very low | 46.3 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -81.7 | 94.4 | 172.6 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | A427 R431 | A427-V429 PolarHBondContact O-N 3.14Å; V429-R431 HydrophobicContact CG1-CG 4.42Å; V429-R431 PolarHBondContact O-N 2.95Å | ||
| 430 | H | 46.6 | Very low | 46.5 | Very low | 152 Ų | 152 | 154 Ų | 154 | 70% | 0.704 | 81% | 0.808 | S | S | * | * | trans | -59.2 | 123.5 | 155.6 | -110.3 | -95.6 | 0 | 0 | 0 | 108.1 | T428 D432 | T428-H430 PolarHBondContact O-N 3.35Å; H430-D432 IonicContact ND1-OD2 3.09Å; H430-D432 PolarHBondContact ND1-OD2 3.15Å; H430-D432 PolarHBondContact O-N 3.1Å | ||
| 431 | R | 39.7 | Very low | 46.1 | Very low | 228 Ų | 228 | 154 Ų | 154 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -95.5 | 85.9 | 170.7 | -78.7 | -169.5 | 172.5 | 138.4 | 0.7 | 108.7 | V429 | V429-R431 HydrophobicContact CG1-CG 4.42Å; V429-R431 PolarHBondContact O-N 2.95Å | ||
| 432 | D | 45.3 | Very low | 45.7 | Very low | 132 Ų | 132 | 155.3 Ų | 155.3 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -133.8 | 88.7 | 161.6 | -68.5 | -56.4 | 0 | 0 | 0 | 106.5 | H430 | H430-D432 IonicContact ND1-OD2 3.09Å; H430-D432 PolarHBondContact ND1-OD2 3.15Å; H430-D432 PolarHBondContact O-N 3.1Å | ||
| 433 | I | 48.7 | Very low | 45.1 | Very low | 167 Ų | 167 | 154.5 Ų | 154.5 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 117.6 | 166 | -62.7 | 174.9 | 0 | 0 | 0 | 105.8 | ||
| 434 | P | 46.6 | Very low | 44.7 | Very low | 111 Ų | 111 | 152.2 Ų | 152.2 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 144.5 | 179.5 | 31.6 | -31.3 | 0 | 0 | 0 | 110.9 | ||
| 435 | D | 44.4 | Very low | 44.3 | Very low | 155 Ų | 155 | 153.6 Ų | 153.6 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 132.2 | 173.1 | -77.7 | -38 | 0 | 0 | 0 | 112 | L437 | D435-L437 PolarHBondContact O-N 3.38Š|
| 436 | P | 59.6 | Low | 43.8 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | trans | -79.8 | 106.8 | 163.9 | 29.8 | -28.1 | 0 | 0 | 0 | 109.8 | V438 | P436-V438 PolarHBondContact O-N 3.01Å; P436-V438 VanDerWaalsContact O-N 3.12Å | ||
| 437 | L | 42.2 | Very low | 43.8 | Very low | 172 Ų | 172 | 154.9 Ų | 154.9 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -56.1 | 107.8 | 157.8 | -70.9 | 167.1 | 0 | 0 | 0 | 109.1 | D435 | D435-L437 PolarHBondContact O-N 3.38Š| ||
| 438 | V | 48.3 | Very low | 43.5 | Very low | 135 Ų | 135 | 156.4 Ų | 156.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -109.8 | 90.5 | 160.9 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | P436 | P436-V438 PolarHBondContact O-N 3.01Å; P436-V438 VanDerWaalsContact O-N 3.12Å | ||
| 439 | N | 38.4 | Very low | 43.6 | Very low | 143 Ų | 143 | 156.2 Ų | 156.2 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | -78.8 | 133.7 | 157.3 | -154.3 | -0.6 | 0 | 0 | 0 | 106.4 | ||||
| 440 | I | 46.9 | Very low | 43.3 | Very low | 150 Ų | 150 | 160.4 Ų | 160.4 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | 167.9 | 107.2 | 144.4 | -80.7 | 149.8 | 0 | 0 | 0 | 109.4 | ||||
| 441 | K | 38.6 | Very low | 43.4 | Very low | 183 Ų | 183 | 164 Ų | 164 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | trans | 28.2 | 109.1 | 142.6 | -66.4 | 176.2 | 172.6 | 178.5 | 0 | 118.7 | ||||
| 442 | Y | 38.8 | Very low | 43.3 | Very low | 224 Ų | 224 | 163.4 Ų | 163.4 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | -148.1 | 94.2 | 126.1 | -83.4 | -75.7 | 0 | 0 | 0 | 108.4 | |||||
| 443 | Q | 36 | Very low | 43.4 | Very low | 181 Ų | 181 | 162.5 Ų | 162.5 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -80.1 | 125.9 | 154.7 | -72.4 | -168.3 | 34.2 | 0 | 0 | 106.5 | ||||
| 444 | L | 39.5 | Very low | 43 | Very low | 158 Ų | 158 | 160.2 Ų | 160.2 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | trans | -120.3 | 99 | 169.3 | -123.5 | 149.7 | 0 | 0 | 0 | 106.8 | ||||
| 445 | E | 42.4 | Very low | 43.2 | Very low | 141 Ų | 141 | 160.4 Ų | 160.4 | 66% | 0.659 | 82% | 0.82 | S | S | * | * | trans | -59.5 | 131.3 | 169.1 | -78.5 | -107.9 | 135.5 | 0 | 0 | 110.3 | K447 | E445-K447 PolarHBondContact O-N 3.02Š| ||
| 446 | E | 37.8 | Very low | 43.4 | Very low | 193 Ų | 193 | 162 Ų | 162 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -70.6 | 106.7 | 168.7 | -70.6 | -177.5 | 150.4 | 0 | 0 | 109.6 | ||||
| 447 | K | 45.6 | Very low | 42.8 | Very low | 178 Ų | 178 | 159.2 Ų | 159.2 | 77% | 0.774 | 80% | 0.803 | S | S | * | * | trans | -125 | 109.7 | 158.6 | -72.8 | -171.9 | 179.9 | 177.1 | 0 | 109.8 | E445 V449 | E445-K447 PolarHBondContact O-N 3.02Å; K447-V449 PolarHBondContact O-N 3.27Å | ||
| 448 | S | 38.3 | Very low | 43.4 | Very low | 122 Ų | 122 | 158.4 Ų | 158.4 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -66.2 | 110 | 177.2 | 36.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 449 | V | 46.7 | Very low | 43.7 | Very low | 122 Ų | 122 | 158 Ų | 158 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -137.1 | 115.8 | 162.9 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | K447 R451 | K447-V449 PolarHBondContact O-N 3.27Å; V449-R451 PolarHBondContact O-N 3.34Å | ||
| 450 | K | 39 | Very low | 44.6 | Very low | 208 Ų | 208 | 155.9 Ų | 155.9 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | trans | -57.1 | 112.9 | 173 | -75.7 | 172.1 | 172.4 | 172.5 | 0 | 111 | ||||
| 451 | R | 48.1 | Very low | 45.1 | Very low | 228 Ų | 228 | 154 Ų | 154 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -143.9 | 126.7 | 153.5 | -72.5 | -165.6 | 172.9 | 148.6 | -1.6 | 111.7 | V449 | V449-R451 PolarHBondContact O-N 3.34Š| ||
| 452 | K | 38.1 | Very low | 46 | Very low | 215 Ų | 215 | 148.9 Ų | 148.9 | 94% | 0.935 | 76% | 0.755 | S | S | * | * | trans | -63.5 | 123.5 | 172.2 | -67.7 | 172.2 | 174.2 | 177.1 | 0 | 108.9 | ||||
| 453 | S | 46.6 | Very low | 46.7 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | trans | -152.8 | 132.6 | 158.9 | 60.2 | 0 | 0 | 0 | 0 | 109.5 | S455 | S453-S455 PolarHBondContact O-N 3.31Š| ||
| 454 | S | 40.8 | Very low | 47.7 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | trans | -79 | 115.9 | -177.5 | 73.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 455 | S | 50.3 | Low | 48.2 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | trans | -100.9 | 99.2 | 172.2 | 45.6 | 0 | 0 | 0 | 0 | 109.4 | S453 S457 | S453-S455 PolarHBondContact O-N 3.31Å; S455-S457 PolarHBondContact O-N 3.05Å | ||
| 456 | K | 49.7 | Very low | 48.3 | Very low | 188 Ų | 188 | 137 Ų | 137 | 82% | 0.817 | 72% | 0.724 | S | S | * | * | trans | -67 | 120 | 158.7 | -75.6 | 177.5 | 177.5 | 176.4 | 0 | 106.9 | ||||
| 457 | S | 46.5 | Very low | 48.8 | Very low | 56 Ų | 56 | 133.9 Ų | 133.9 | 39% | 0.392 | 72% | 0.718 | S | S | . | * | trans | -73.3 | 144.5 | -179.3 | 94.4 | 0 | 0 | 0 | 0 | 108.9 | S455 F459 D460 | S455-S457 PolarHBondContact O-N 3.05Å; S457-F459 PolarHBondContact O-N 3.17Å; S457-F459 PolarHBondContact OG-N 2.97Å; S457-D460 PolarHBondContact N-OD2 2.99Å; S457-D460 PolarHBondContact O-N 2.99Å | ||
| 458 | I | 55.2 | Low | 48.4 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -56.7 | -14.8 | 177.8 | -66.5 | 166.8 | 0 | 0 | 0 | 111.9 | ||
| 459 | F | 54.2 | Low | 48.8 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 55% | 0.548 | 72% | 0.716 | S | S | . | * | G | 310 helix | trans | -82.9 | -16.7 | 177.1 | -69.1 | -81.4 | 0 | 0 | 0 | 114.8 | S457 S461 L462 | S457-F459 PolarHBondContact O-N 3.17Å; S457-F459 PolarHBondContact OG-N 2.97Å; F459-S461 PolarHBondContact O-N 3.06Å; F459-L462 PolarHBondContact O-N 2.72Å |
| 460 | D | 56.9 | Low | 48.6 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 54% | 0.535 | 72% | 0.723 | S | S | . | * | G | 310 helix | trans | -67.5 | -18 | 179.6 | -73.9 | -32.6 | 0 | 0 | 0 | 112.7 | S457 L462 | S457-D460 PolarHBondContact N-OD2 2.99Å; S457-D460 PolarHBondContact O-N 2.99Å; D460-L462 VanDerWaalsContact C-N 3.28Å; D460-L462 PolarHBondContact O-N 3.34Å |
| 461 | S | 58.1 | Low | 48.9 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -78 | -10.2 | 178.2 | -59.1 | 0 | 0 | 0 | 0 | 114 | F459 | F459-S461 PolarHBondContact O-N 3.06Š|
| 462 | L | 56.8 | Low | 48.9 | Very low | 74 Ų | 74 | 126 Ų | 126 | 39% | 0.387 | 72% | 0.72 | S | S | . | * | G | 310 helix | trans | -92.5 | -10 | 179 | -97.9 | 140.7 | 0 | 0 | 0 | 113.5 | N244 F459 D460 | N244-L462 WeakPolarHBondContact OD1-CD2 3.39Å; F459-L462 PolarHBondContact O-N 2.72Å; D460-L462 VanDerWaalsContact C-N 3.28Å; D460-L462 PolarHBondContact O-N 3.34Å |
| 463 | F | 54.2 | Low | 49.3 | Very low | 76 Ų | 76 | 125 Ų | 125 | 33% | 0.333 | 72% | 0.716 | S | S | . | * | trans | -118.9 | 102.2 | -179.5 | -62.7 | -68.8 | 0 | 0 | 0 | 109.5 | L199 L203 | L199-F463 HydrophobicContact CD1-CZ 4.19Å; L203-F463 HydrophobicContact CD2-CE1 3.78Å; L203-F463 HydrophobicContact CD2-CZ 3.93Å | ||
| 464 | Q | 57.9 | Low | 49.5 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -90.5 | 121.9 | 166.4 | -75.8 | -170.9 | -19 | 0 | 0 | 109.3 | ||||
| 465 | P | 48 | Very low | 49.8 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | trans | -69.9 | 128.3 | 166.3 | 27.4 | -29.5 | 0 | 0 | 0 | 109 | T467 | P465-T467 PolarHBondContact O-N 3.11Š| ||
| 466 | S | 45.7 | Very low | 49.8 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | -73.7 | 91.9 | 174.6 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 467 | T | 47.7 | Very low | 49.8 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -92.7 | 94.9 | 166.8 | 54.3 | 0 | 0 | 0 | 0 | 109.1 | P465 A469 | P465-T467 PolarHBondContact O-N 3.11Å; T467-A469 PolarHBondContact O-N 3.26Å | ||
| 468 | G | 38.3 | Very low | 49.9 | Very low | 85 Ų | 85 | 142.6 Ų | 142.6 | 88% | 0.876 | 76% | 0.758 | S | S | * | * | trans | -81.7 | 101.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 469 | A | 45.1 | Very low | 49.4 | Very low | 86 Ų | 86 | 145.1 Ų | 145.1 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | -122.5 | 106.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | T467 | T467-A469 PolarHBondContact O-N 3.26Š| ||
| 470 | N | 42.3 | Very low | 49.5 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -71.6 | 119.1 | 164.9 | -78 | -53.2 | 0 | 0 | 0 | 108.2 | ||||
| 471 | D | 47.1 | Very low | 48.9 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -127.2 | 113.9 | 161.3 | -92.5 | -40.2 | 0 | 0 | 0 | 111.2 | ||||
| 472 | K | 46.9 | Very low | 48.4 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -79.6 | 148.6 | 170.7 | -78.2 | 175.8 | 174.6 | 171.1 | 0 | 109.5 | ||||
| 473 | K | 46.8 | Very low | 48 | Very low | 195 Ų | 195 | 156.7 Ų | 156.7 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | 75.5 | 115.2 | 161.3 | -65 | 171.9 | 174.9 | 176.3 | 0 | 116.2 | ||||
| 474 | Q | 51 | Low | 47.7 | Very low | 191 Ų | 191 | 160.8 Ų | 160.8 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | -171.1 | 140.2 | 91.9 | -93.7 | -168.5 | 10.8 | 0 | 0 | 112.8 | |||||
| 475 | K | 47.7 | Very low | 47 | Very low | 207 Ų | 207 | 156.5 Ų | 156.5 | 90% | 0.9 | 84% | 0.837 | S | S | * | * | trans | -57.1 | 138.1 | 169.6 | -81.3 | 167.3 | 166.4 | 170.4 | 0 | 111.6 | ||||
| 476 | K | 50.6 | Low | 47.3 | Very low | 212 Ų | 212 | 163 Ų | 163 | 92% | 0.922 | 85% | 0.848 | S | S | * | * | trans | -157.7 | 133.2 | 130.9 | -117.6 | 171.6 | -177.5 | 176.4 | 0 | 111.9 | ||||
| 477 | K | 47.9 | Very low | 47.8 | Very low | 201 Ų | 201 | 167 Ų | 167 | 87% | 0.874 | 85% | 0.851 | S | S | * | * | trans | -75.2 | 142.5 | -179.9 | -62.5 | 172.7 | 173.5 | 177.5 | 0 | 110.2 | ||||
| 478 | T | 48.7 | Very low | 48.3 | Very low | 149 Ų | 149 | 170.9 Ų | 170.9 | 91% | 0.914 | 86% | 0.858 | S | S | * | * | trans | -150.8 | 122.3 | 147.5 | 19.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 479 | K | 46.5 | Very low | 49.4 | Very low | 208 Ų | 208 | 176.2 Ų | 176.2 | 90% | 0.904 | 86% | 0.857 | S | S | * | * | trans | -91.2 | 132.4 | 170.6 | -85.8 | 176.7 | 169.2 | 178.6 | 0 | 108.8 | ||||
| 480 | S | 55.2 | Low | 50 | Low | 114 Ų | 114 | 185.4 Ų | 185.4 | 80% | 0.797 | 88% | 0.881 | S | S | * | * | trans | 179.3 | 105.1 | 141.6 | 46.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 481 | N | 44.5 | Very low | 50.3 | Low | 150 Ų | 150 | 186.5 Ų | 186.5 | 80% | 0.802 | 88% | 0.881 | S | S | * | * | 56.5 | 104.8 | 84.4 | -144 | 7.5 | 0 | 0 | 0 | 112.5 | |||||
| 482 | I | 48.1 | Very low | 50.5 | Low | 170 Ų | 170 | 187.7 Ų | 187.7 | 87% | 0.872 | 88% | 0.881 | S | S | * | * | trans | -159.3 | 124.2 | 141.2 | -89.9 | 141.8 | 0 | 0 | 0 | 108.2 | ||||
| 483 | R | 47.8 | Very low | 50.7 | Low | 220 Ų | 220 | 187.4 Ų | 187.4 | 83% | 0.83 | 88% | 0.884 | S | S | * | * | trans | -83.3 | 145 | 177.2 | -164.2 | -177.6 | -161.1 | 178.5 | 3.9 | 108.3 | ||||
| 484 | N | 47.7 | Very low | 50.9 | Low | 161 Ų | 161 | 187 Ų | 187 | 86% | 0.861 | 89% | 0.886 | S | S | * | * | trans | 159.3 | 115.5 | 152.8 | -78.2 | -15.1 | 0 | 0 | 0 | 105.9 | ||||
| 485 | G | 44.6 | Very low | 50.9 | Low | 71 Ų | 71 | 186.8 Ų | 186.8 | 73% | 0.732 | 89% | 0.885 | S | S | * | * | cis | 100.2 | 88.8 | 36.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 486 | R | 52.9 | Low | 51.2 | Low | 246 Ų | 246 | 185.4 Ų | 185.4 | 93% | 0.928 | 88% | 0.884 | S | S | * | * | trans | -173.2 | 124.5 | 142.2 | -111.2 | 172 | -180 | -173.1 | -0.7 | 112.7 | ||||
| 487 | K | 57.5 | Low | 51.2 | Low | 194 Ų | 194 | 183.5 Ų | 183.5 | 84% | 0.843 | 88% | 0.882 | S | S | * | * | trans | -72.3 | 147.7 | 168.4 | -63.2 | 177.5 | 174.8 | 178.6 | 0 | 110 | ||||
| 488 | F | 58.3 | Low | 51.4 | Low | 208 Ų | 208 | 182.2 Ų | 182.2 | 91% | 0.912 | 88% | 0.882 | S | S | * | * | trans | -126.9 | 121.1 | 147 | -101.4 | -84.5 | 0 | 0 | 0 | 108.4 | ||||
| 489 | K | 59.8 | Low | 51.7 | Low | 198 Ų | 198 | 184.9 Ų | 184.9 | 86% | 0.861 | 88% | 0.88 | S | S | * | * | trans | -81.9 | 141.4 | 168.2 | -99.8 | -178.9 | 168.8 | -176.9 | 0 | 108.6 | ||||
| 490 | K | 57.5 | Low | 52.2 | Low | 279 Ų | 279 | 182.8 Ų | 182.8 | 100% | 1.213 | 88% | 0.877 | S | S | * | * | -148.1 | 0 | 116 | -125 | 179.9 | -175.6 | -179.6 | 0 | 108.7 |
Retrieved 490 of 490 residues in 73 ms
(Link to these results)