| 1 | M | 51.5 | Low | 50.5 | Low | 247 Ų | 247 | 147.4 Ų | 147.4 | 100% | 1.217 | 84% | 0.84 | S | S | * | * | | | | 0 | 136.8 | 0 | -69.5 | 176.2 | 175.6 | 0 | 0 | 107.6 | | |
| 2 | T | 44.6 | Very low | 50.1 | Low | 137 Ų | 137 | 143.6 Ų | 143.6 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | | | trans | -84.5 | 141.4 | -174.1 | 43.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 3 | T | 53 | Low | 50.2 | Low | 138 Ų | 138 | 145.3 Ų | 145.3 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | | | trans | -146.2 | 96.8 | 159.4 | -5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 4 | T | 48.4 | Very low | 50.3 | Low | 119 Ų | 119 | 141.5 Ų | 141.5 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 133.6 | 164.1 | 43.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 5 | L | 58.8 | Low | 50.3 | Low | 175 Ų | 175 | 143.2 Ų | 143.2 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 121 | 159.8 | -73.5 | 177.2 | 0 | 0 | 0 | 108.9 | | |
| 6 | V | 49.1 | Very low | 50.5 | Low | 131 Ų | 131 | 141.8 Ų | 141.8 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 146.6 | -175.6 | 175 | 0 | 0 | 0 | 0 | 109.7 | | |
| 7 | S | 48.5 | Very low | 50.6 | Low | 114 Ų | 114 | 143.2 Ų | 143.2 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 151.2 | 179.2 | -49 | 0 | 0 | 0 | 0 | 114.3 | | |
| 8 | A | 52 | Low | 50.8 | Low | 85 Ų | 85 | 142.1 Ų | 142.1 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | | | trans | -145.1 | 104.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 9 | T | 50.2 | Low | 50.7 | Low | 113 Ų | 113 | 145.4 Ų | 145.4 | 69% | 0.693 | 81% | 0.811 | S | S | * | * | | | | 53.5 | 98.5 | 95.7 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 10 | I | 56.6 | Low | 50.4 | Low | 161 Ų | 161 | 141.3 Ų | 141.3 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | | 53.8 | 81.9 | 87.7 | -54.9 | 173.8 | 0 | 0 | 0 | 111.9 | | |
| 11 | F | 42.7 | Very low | 50.2 | Low | 201 Ų | 201 | 142.6 Ų | 142.6 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | | | trans | -176.7 | 143.4 | 154.9 | -87.4 | -74.4 | 0 | 0 | 0 | 102.7 | | |
| 12 | D | 45.6 | Very low | 50 | Low | 102 Ų | 102 | 140.3 Ų | 140.3 | 55% | 0.545 | 79% | 0.79 | S | S | . | * | | | cis | -147.7 | 140.3 | 15.2 | -169.4 | -59.6 | 0 | 0 | 0 | 107.8 | S14 | D12-S14 WeakPolarHBondContact OD1-CA 3.33Å; D12-S14 VanDerWaalsContact OD1-CB 3.24Å; D12-S14 WeakPolarHBondContact OD1-CB 3.24Å; D12-S14 PolarHBondContact OD1-N 3.28Å; D12-S14 PolarHBondContact OD1-OG 3.35Å |
| 13 | L | 52 | Low | 49.9 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | trans | -126.1 | 26.6 | 178.6 | -125.1 | 165.7 | 0 | 0 | 0 | 112.2 | | |
| 14 | S | 52 | Low | 49.4 | Very low | 92 Ų | 92 | 142.5 Ų | 142.5 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -100 | -24.4 | -176.5 | -18.6 | 0 | 0 | 0 | 0 | 113.3 | D12 | D12-S14 WeakPolarHBondContact OD1-CA 3.33Å; D12-S14 VanDerWaalsContact OD1-CB 3.24Å; D12-S14 WeakPolarHBondContact OD1-CB 3.24Å; D12-S14 PolarHBondContact OD1-N 3.28Å; D12-S14 PolarHBondContact OD1-OG 3.35Å |
| 15 | E | 49.8 | Very low | 48.8 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -85.9 | -11.4 | -168.4 | -68.8 | -139 | 121.1 | 0 | 0 | 115.9 | L17 | E15-L17 PolarHBondContact O-N 2.78Š|
| 16 | V | 52.9 | Low | 47.7 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -10.8 | -166.8 | -179.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 17 | L | 53.4 | Low | 47.2 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -0.4 | -175.1 | -72.5 | 174.7 | 0 | 0 | 0 | 116.3 | E15 | E15-L17 PolarHBondContact O-N 2.78Š|
| 18 | C | 53.3 | Low | 46.8 | Very low | 122 Ų | 122 | 144 Ų | 144 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -107.4 | 15.5 | -177.2 | -71.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 19 | K | 49.4 | Very low | 47.1 | Very low | 206 Ų | 206 | 146.2 Ų | 146.2 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | | | trans | -123.5 | 43.1 | -174.8 | -145 | 83.1 | 172.6 | -160.4 | 0 | 114.2 | | |
| 20 | G | 43.9 | Very low | 46.4 | Very low | 63 Ų | 63 | 146.4 Ų | 146.4 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | | | trans | -130.2 | 119.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 21 | N | 46.8 | Very low | 45.5 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | | | trans | 98.2 | 65.3 | 173.3 | -58.3 | -4.9 | 0 | 0 | 0 | 118 | | |
| 22 | K | 46.8 | Very low | 45.2 | Very low | 199 Ų | 199 | 137.8 Ų | 137.8 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | | | trans | -139.2 | 136.2 | 145.7 | -69.1 | -169.6 | 179.5 | -179.3 | 0 | 109.8 | | |
| 23 | M | 41.9 | Very low | 44.6 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 86% | 0.862 | 81% | 0.811 | S | S | * | * | | | trans | 70 | 133.6 | 179.1 | -40.6 | -171.6 | 77.2 | 0 | 0 | 112.7 | | |
| 24 | L | 43.3 | Very low | 44.1 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | | | cis | -124 | 165.6 | 23.4 | -62.2 | 159.9 | 0 | 0 | 0 | 109.8 | | |
| 25 | N | 34.7 | Very low | 43.5 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | | | | -161 | 173.1 | 52.4 | -160.7 | 9 | 0 | 0 | 0 | 113.5 | | |
| 26 | Y | 36.1 | Very low | 43.7 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | | | trans | -83.8 | 166.3 | -160.1 | -89.2 | -104.7 | 0 | 0 | 0 | 118.3 | | |
| 27 | S | 38.8 | Very low | 43.1 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | | | trans | -74 | 156.5 | -179.8 | -31.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 28 | A | 41.6 | Very low | 43 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | | | trans | -157.6 | 146.6 | 141.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 29 | P | 56.3 | Low | 42.4 | Very low | 132 Ų | 132 | 143 Ų | 143 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | | | trans | -111 | 153.1 | -174.7 | 39.5 | -32 | 0 | 0 | 0 | 115.3 | | |
| 30 | S | 36.2 | Very low | 42 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | trans | -164.9 | 111.9 | 162.1 | -164.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 31 | A | 38.8 | Very low | 42 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | | | | 90.6 | 127.4 | 67.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 32 | G | 35.2 | Very low | 41.4 | Very low | 84 Ų | 84 | 137 Ų | 137 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | 98 | 122.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 33 | G | 34 | Very low | 41.4 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | | | cis | 139.8 | 94 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 34 | C | 39.9 | Very low | 41.8 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 96% | 0.959 | 82% | 0.815 | S | S | * | * | | | trans | -132.1 | 121.1 | 169.1 | -67.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 35 | L | 40.5 | Very low | 41.7 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | | | trans | -119.5 | 122 | -166.9 | 178.2 | 155.4 | 0 | 0 | 0 | 109.6 | | |
| 36 | L | 53 | Low | 41.8 | Very low | 168 Ų | 168 | 127 Ų | 127 | 88% | 0.88 | 82% | 0.823 | S | S | * | * | | | trans | -142.4 | 88.8 | 164 | -77.1 | -177.6 | 0 | 0 | 0 | 110.2 | | |
| 37 | D | 42 | Very low | 41.7 | Very low | 125 Ų | 125 | 121.3 Ų | 121.3 | 67% | 0.668 | 83% | 0.825 | S | S | * | * | | | trans | -71.7 | 144.6 | 164.4 | -167.9 | -68.1 | 0 | 0 | 0 | 110.3 | K39 | D37-K39 PolarHBondContact OD1-N 3.1Š|
| 38 | R | 49.6 | Very low | 41.5 | Very low | 213 Ų | 213 | 119.4 Ų | 119.4 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -156.8 | 87 | 151.2 | -105.6 | 134.6 | 84.4 | 166.2 | 5.9 | 113.4 | | |
| 39 | K | 41.5 | Very low | 41.4 | Very low | 166 Ų | 166 | 124.6 Ų | 124.6 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | | | trans | 49.8 | 106.2 | 137.2 | 61.4 | -177.9 | 177.6 | -176.3 | 0 | 119.2 | D37 | D37-K39 PolarHBondContact OD1-N 3.1Š|
| 40 | A | 41.2 | Very low | 41 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | | | trans | -76.2 | 149.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 41 | V | 43.4 | Very low | 41.4 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | | | trans | -139.1 | 123.7 | 172.4 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 42 | G | 34.8 | Very low | 41.5 | Very low | 69 Ų | 69 | 134.7 Ų | 134.7 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | | | trans | 55.1 | 106.7 | 140.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 43 | T | 46.2 | Very low | 41.7 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -64.3 | 154.5 | 149.9 | 42 | 0 | 0 | 0 | 0 | 111.8 | | |
| 44 | P | 50.7 | Low | 42.1 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | trans | -123.6 | 157 | 131.9 | 35.9 | -30.7 | 0 | 0 | 0 | 111.9 | | |
| 45 | A | 41.3 | Very low | 42 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | | | trans | -101.1 | 157.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 46 | G | 37 | Very low | 42 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | | | trans | 109.5 | 123.5 | 151 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 47 | G | 34.4 | Very low | 41.7 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | 136.6 | 103.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 48 | G | 33.7 | Very low | 42 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | 67.1 | 120.3 | 132.3 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 49 | F | 38.6 | Very low | 41.5 | Very low | 209 Ų | 209 | 133.3 Ų | 133.3 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | | | trans | -61.9 | 175.7 | 159.5 | -51.6 | -91.1 | 0 | 0 | 0 | 112.9 | | |
| 50 | P | 49.9 | Very low | 41.5 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | | | cis | -133.1 | 172.1 | 0.6 | 40.4 | -23.1 | 0 | 0 | 0 | 116.5 | | |
| 51 | R | 44.3 | Very low | 41.6 | Very low | 244 Ų | 244 | 135.2 Ų | 135.2 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | | | trans | -78.5 | 130.1 | 175.8 | -164.7 | -179.2 | -166.7 | -172 | 5 | 111.7 | | |
| 52 | R | 40.6 | Very low | 41.3 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 76% | 0.758 | 82% | 0.823 | S | S | * | * | | | trans | -130.4 | 117.6 | 167.7 | -75.7 | -164.5 | 178 | -98.1 | -0 | 113.1 | | |
| 53 | H | 38.9 | Very low | 41.5 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 64% | 0.644 | 83% | 0.829 | S | S | * | * | | | trans | 42.1 | 119.2 | 131.7 | -36.7 | -34.8 | 0 | 0 | 0 | 120.9 | | |
| 54 | S | 41.8 | Very low | 41.1 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | | | trans | 26.1 | 118.2 | 131.4 | -45.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 55 | V | 39.2 | Very low | 40.5 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 93% | 0.927 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 116.8 | 165 | -123.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 56 | T | 40.1 | Very low | 40.5 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 136.4 | 173.5 | -45.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 57 | L | 45.7 | Very low | 40.7 | Very low | 164 Ų | 164 | 153.1 Ų | 153.1 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79 | 134.4 | 173.6 | -71 | 169.2 | 0 | 0 | 0 | 111 | | |
| 58 | P | 48.8 | Very low | 41 | Very low | 113 Ų | 113 | 157.1 Ų | 157.1 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 139.2 | 177.5 | 31.8 | -33.3 | 0 | 0 | 0 | 112.1 | | |
| 59 | S | 38.7 | Very low | 41.2 | Very low | 119 Ų | 119 | 158.6 Ų | 158.6 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 129.4 | 171.3 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 60 | S | 41.5 | Very low | 41 | Very low | 109 Ų | 109 | 153.8 Ų | 153.8 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | | | trans | -119.6 | 112.2 | 174.5 | -58.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 61 | K | 45 | Very low | 40.5 | Very low | 204 Ų | 204 | 155.9 Ų | 155.9 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | | | trans | -71.6 | 127.3 | 174.3 | -61.6 | 171.6 | -178.3 | 173.6 | 0 | 108.8 | | |
| 62 | F | 35.4 | Very low | 40 | Very low | 202 Ų | 202 | 153.9 Ų | 153.9 | 89% | 0.886 | 82% | 0.815 | S | S | * | * | | | trans | -123.4 | 121.6 | 162.9 | -156.5 | -96.6 | 0 | 0 | 0 | 109.9 | | |
| 63 | H | 39.4 | Very low | 39.7 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | -132 | 112.9 | -178.7 | -136.5 | 123.7 | 0 | 0 | 0 | 105.4 | | |
| 64 | Q | 37.5 | Very low | 39.6 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 73% | 0.729 | 82% | 0.821 | S | S | * | * | | | trans | -171.2 | 119.8 | 138.1 | -156.9 | 150.6 | 41.2 | 0 | 0 | 110.3 | | |
| 65 | N | 38.8 | Very low | 39.8 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | | | trans | -82 | 128.7 | 161.2 | -92.2 | -83.9 | 0 | 0 | 0 | 108.2 | | |
| 66 | Q | 40.7 | Very low | 39.6 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | | | trans | -158.8 | 90.8 | 162.7 | -161.9 | 179.3 | 109.1 | 0 | 0 | 111.7 | | |
| 67 | L | 42.2 | Very low | 40.2 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | | | trans | -153.6 | 120.3 | 147.1 | -90.8 | -173 | 0 | 0 | 0 | 108.1 | | |
| 68 | L | 40.8 | Very low | 39.5 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | | | trans | -132.2 | 157.7 | 173.2 | -158.8 | 81.7 | 0 | 0 | 0 | 108.1 | | |
| 69 | S | 37.2 | Very low | 38.9 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | | | trans | 91 | 133.1 | 176.8 | -36.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 70 | S | 35 | Very low | 38.6 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | | | cis | -159.6 | 171.3 | 5.9 | -148.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 71 | L | 38.7 | Very low | 38.4 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | 101.8 | 97.8 | 161.4 | -56.2 | 179.4 | 0 | 0 | 0 | 120.2 | | |
| 72 | K | 33.9 | Very low | 38.2 | Very low | 202 Ų | 202 | 145 Ų | 145 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | | | | 96.9 | 102.2 | 115.8 | -162.1 | 177.6 | -174.8 | -179.3 | 0 | 120.1 | | |
| 73 | G | 33.7 | Very low | 38.4 | Very low | 66 Ų | 66 | 142 Ų | 142 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | | 115.9 | 100.2 | 123.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 74 | E | 37.2 | Very low | 38.5 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | | | trans | 57.3 | 158.9 | 137.2 | -63.3 | -48.3 | 103.5 | 0 | 0 | 122.6 | | |
| 75 | P | 45.6 | Very low | 39.1 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -96.6 | 170.9 | -157 | 37.7 | -37.2 | 0 | 0 | 0 | 117.4 | | |
| 76 | A | 36.8 | Very low | 39.1 | Very low | 90 Ų | 90 | 143.6 Ų | 143.6 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | | | trans | -60.1 | 175.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 77 | P | 52 | Low | 39.4 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | cis | -146.3 | -175.8 | 18.6 | 41.8 | -20.4 | 0 | 0 | 0 | 118.5 | | |
| 78 | A | 30.6 | Very low | 39.3 | Very low | 84 Ų | 84 | 143 Ų | 143 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | trans | 129.6 | 146.3 | 130.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 79 | L | 36.3 | Very low | 39.6 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | 59.4 | 117.3 | 163.4 | -45.4 | -176 | 0 | 0 | 0 | 117.1 | | |
| 80 | S | 32.8 | Very low | 40 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | | 176.1 | 154.8 | 51.6 | 47.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 81 | S | 35.9 | Very low | 40.1 | Very low | 89 Ų | 89 | 150.3 Ų | 150.3 | 62% | 0.622 | 78% | 0.784 | S | S | * | * | | | trans | 38.4 | 120.1 | 147 | -169 | 0 | 0 | 0 | 0 | 120.4 | | |
| 82 | R | 41.8 | Very low | 40.5 | Very low | 235 Ų | 235 | 148.7 Ų | 148.7 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | | | | -178.1 | 117 | 117.6 | -89.3 | 139.5 | -148.7 | -142.8 | 2.7 | 110.5 | | |
| 83 | D | 39.3 | Very low | 40.7 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | trans | -49.7 | 135 | -179.6 | -64.1 | -107.5 | 0 | 0 | 0 | 114 | R85 | D83-R85 VanDerWaalsContact C-N 3.33Å; D83-R85 PolarHBondContact O-N 2.8Å |
| 84 | S | 42.8 | Very low | 41.1 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -67 | 90.5 | 171.7 | -68.5 | 0 | 0 | 0 | 0 | 109.8 | F86 | S84-F86 VanDerWaalsContact C-N 3.34Å; S84-F86 PolarHBondContact O-N 2.83Å |
| 85 | R | 48.5 | Very low | 41.3 | Very low | 225 Ų | 225 | 143 Ų | 143 | 85% | 0.849 | 78% | 0.783 | S | S | * | * | | | trans | -58.7 | 90.3 | 179.7 | -69.2 | -179.8 | -84.7 | -179.4 | -5.4 | 111.4 | D83 R87 | D83-R85 VanDerWaalsContact C-N 3.33Å; D83-R85 PolarHBondContact O-N 2.8Å; R85-R87 PolarHBondContact O-N 2.83Å |
| 86 | F | 39.8 | Very low | 41.1 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | -54.8 | 98.8 | 163.3 | -171.9 | -92.9 | 0 | 0 | 0 | 107.6 | S84 D88 | S84-F86 VanDerWaalsContact C-N 3.34Å; S84-F86 PolarHBondContact O-N 2.83Å; F86-D88 HydrophobicContact CD1-CB 4.08Å; F86-D88 HydrophobicContact CE1-CB 4.17Å; F86-D88 PolarHBondContact O-N 3.01Å |
| 87 | R | 47.5 | Very low | 41.6 | Very low | 228 Ų | 228 | 153.7 Ų | 153.7 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -77.9 | 72.9 | 175.4 | -80 | 167.2 | 74.6 | 176.6 | 4.9 | 108.5 | R85 R89 | R85-R87 PolarHBondContact O-N 2.83Å; R87-R89 PolarHBondContact O-N 2.82Å |
| 88 | D | 40.3 | Very low | 41.2 | Very low | 102 Ų | 102 | 155.6 Ų | 155.6 | 55% | 0.545 | 80% | 0.8 | S | S | . | * | | | trans | -46.9 | 120.9 | 153.7 | -172.7 | -92 | 0 | 0 | 0 | 107.5 | F86 S90 | F86-D88 HydrophobicContact CD1-CB 4.08Å; F86-D88 HydrophobicContact CE1-CB 4.17Å; F86-D88 PolarHBondContact O-N 3.01Å; D88-S90 VanDerWaalsContact C-N 3.31Å; D88-S90 PolarHBondContact O-N 2.66Å; D88-S90 WeakPolarHBondContact OD1-CA 3.48Å; D88-S90 PolarHBondContact OD1-N 2.75Å; D88-S90 PolarHBondContact OD1-OG 3.43Å |
| 89 | R | 46.8 | Very low | 41.6 | Very low | 239 Ų | 239 | 159.1 Ų | 159.1 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -98.8 | 74.4 | -176.5 | -142.3 | 174.6 | -178.6 | 175.4 | -1.8 | 106.6 | R87 | R87-R89 PolarHBondContact O-N 2.82Š|
| 90 | S | 45.1 | Very low | 42 | Very low | 87 Ų | 87 | 157.3 Ų | 157.3 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | | | trans | -52.3 | 138 | -165.7 | -48 | 0 | 0 | 0 | 0 | 112.6 | D88 S92 | D88-S90 VanDerWaalsContact C-N 3.31Å; D88-S90 PolarHBondContact O-N 2.66Å; D88-S90 WeakPolarHBondContact OD1-CA 3.48Å; D88-S90 PolarHBondContact OD1-N 2.75Å; D88-S90 PolarHBondContact OD1-OG 3.43Å; S90-S92 PolarHBondContact O-N 2.75Å |
| 91 | F | 37 | Very low | 42.4 | Very low | 209 Ų | 209 | 158.6 Ų | 158.6 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | | | trans | -54.4 | 129.3 | 164.1 | -99 | -119 | 0 | 0 | 0 | 109.3 | E93 | F91-E93 PolarHBondContact O-N 2.82Š|
| 92 | S | 46.6 | Very low | 43.2 | Very low | 123 Ų | 123 | 163.4 Ų | 163.4 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | trans | -81.6 | 103 | 163.7 | -63.5 | 0 | 0 | 0 | 0 | 108.7 | S90 G94 | S90-S92 PolarHBondContact O-N 2.75Å; S92-G94 PolarHBondContact O-N 3.44Å |
| 93 | E | 38.6 | Very low | 43.1 | Very low | 191 Ų | 191 | 162 Ų | 162 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | | | trans | -65.7 | 119.7 | 169.4 | -166.3 | 176.5 | 148.8 | 0 | 0 | 109.6 | F91 | F91-E93 PolarHBondContact O-N 2.82Š|
| 94 | G | 42.7 | Very low | 43.4 | Very low | 70 Ų | 70 | 163.7 Ų | 163.7 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | | | trans | -110.1 | 91.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S92 | S92-G94 PolarHBondContact O-N 3.44Š|
| 95 | G | 40 | Very low | 43.4 | Very low | 71 Ų | 71 | 164.3 Ų | 164.3 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | | | trans | -102.3 | 92.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 96 | E | 42.8 | Very low | 42.8 | Very low | 188 Ų | 188 | 156.7 Ų | 156.7 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | | | trans | -130.8 | 108.4 | 158.2 | 50.7 | -132.3 | 115 | 0 | 0 | 111 | | |
| 97 | R | 47.4 | Very low | 42.9 | Very low | 239 Ų | 239 | 152.8 Ų | 152.8 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -109.7 | 107.2 | -169.4 | 172.5 | -164.2 | -176.8 | 174.2 | 2.6 | 109.9 | | |
| 98 | L | 42.2 | Very low | 42.6 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | -145.9 | 137.7 | 153.9 | -79.6 | -174.4 | 0 | 0 | 0 | 112.5 | | |
| 99 | L | 40.7 | Very low | 43.3 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | trans | 75.8 | 114.4 | 170.2 | -55.5 | -179.9 | 0 | 0 | 0 | 119.5 | | |
| 100 | P | 43.6 | Very low | 43.4 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | trans | -94.4 | 106 | 165.3 | 34.5 | -27 | 0 | 0 | 0 | 111.5 | | |
| 101 | T | 41 | Very low | 43.9 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | | | trans | -84.4 | 133 | 163.2 | -84.9 | 0 | 0 | 0 | 0 | 109.9 | K103 | T101-K103 PolarHBondContact O-N 3.04Š|
| 102 | Q | 53.8 | Low | 45.8 | Very low | 191 Ų | 191 | 140 Ų | 140 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | -53.7 | 125.2 | -177.7 | -65.3 | 170.8 | -12.5 | 0 | 0 | 111.8 | | |
| 103 | K | 38.1 | Very low | 47.4 | Very low | 205 Ų | 205 | 139 Ų | 139 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | | | trans | -108 | 113.3 | 174.9 | -145.5 | 176.4 | -172.4 | -178 | 0 | 109.7 | T101 | T101-K103 PolarHBondContact O-N 3.04Š|
| 104 | Q | 46.3 | Very low | 49.7 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | -62.3 | 160.4 | 172.5 | -73.5 | -170.8 | -7.1 | 0 | 0 | 111.7 | G106 | Q104-G106 VanDerWaalsContact C-N 3.25Å; Q104-G106 PolarHBondContact O-N 3.3Å |
| 105 | P | 43.3 | Very low | 52.1 | Low | 138 Ų | 138 | 138.7 Ų | 138.7 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | | | trans | -73.8 | 75.9 | 177.3 | 31.9 | -36 | 0 | 0 | 0 | 111.5 | | |
| 106 | G | 35.8 | Very low | 54.6 | Low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 74% | 0.737 | S | S | * | * | | | trans | -83.1 | 133.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q104 | Q104-G106 VanDerWaalsContact C-N 3.25Å; Q104-G106 PolarHBondContact O-N 3.3Å |
| 107 | S | 42 | Very low | 57 | Low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | | | trans | -52.6 | 146.2 | -176.2 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | Q109 | S107-Q109 PolarHBondContact O-N 3.14Š|
| 108 | G | 41.3 | Very low | 59.1 | Low | 81 Ų | 81 | 120.3 Ų | 120.3 | 84% | 0.835 | 68% | 0.675 | S | S | * | * | | | trans | -70.1 | 52.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V110 | G108-V110 PolarHBondContact O-N 2.96Š|
| 109 | Q | 53.6 | Low | 61.6 | Low | 160 Ų | 160 | 115.7 Ų | 115.7 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | | | trans | -72 | 96.7 | 166.9 | -69.1 | -161.7 | -6.1 | 0 | 0 | 108.9 | S107 N111 | S107-Q109 PolarHBondContact O-N 3.14Å; Q109-N111 PolarHBondContact O-N 3.47Å |
| 110 | V | 49.3 | Very low | 64.3 | Low | 137 Ų | 137 | 108.4 Ų | 108.4 | 83% | 0.83 | 61% | 0.613 | S | S | * | * | | | trans | -63.3 | 91.3 | 161.1 | -167.8 | 0 | 0 | 0 | 0 | 106.5 | G108 S112 | G108-V110 PolarHBondContact O-N 2.96Å; V110-S112 PolarHBondContact O-N 3.27Å |
| 111 | N | 56.1 | Low | 66.8 | Low | 146 Ų | 146 | 110.7 Ų | 110.7 | 78% | 0.781 | 61% | 0.605 | S | S | * | * | | | trans | -70.1 | 73.5 | 180 | 51.9 | -17.7 | 0 | 0 | 0 | 109.5 | Q109 S113 | Q109-N111 PolarHBondContact O-N 3.47Å; N111-S113 PolarHBondContact O-N 2.94Å |
| 112 | S | 76 | Confident | 69.4 | Low | 71 Ų | 71 | 107.2 Ų | 107.2 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | | | trans | -48.7 | 123 | 176.6 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | V110 R114 Y115 | V110-S112 PolarHBondContact O-N 3.27Å; S112-R114 PolarHBondContact O-N 3.4Å; S112-Y115 WeakPolarHBondContact O-CB 3.47Å; S112-Y115 PolarHBondContact O-N 3.46Å |
| 113 | S | 80.1 | Confident | 71.4 | Confident | 104 Ų | 104 | 101.5 Ų | 101.5 | 73% | 0.727 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -2.1 | -178.6 | -179.5 | 0 | 0 | 0 | 0 | 114.5 | N111 | N111-S113 PolarHBondContact O-N 2.94Š|
| 114 | R | 87.6 | Confident | 74.2 | Confident | 176 Ų | 176 | 97.8 Ų | 97.8 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 4.4 | 176.7 | -56.7 | -173.4 | -175.2 | -172.6 | 1.7 | 113.7 | S112 K116 T117 | S112-R114 PolarHBondContact O-N 3.4Å; R114-K116 PolarHBondContact O-N 3.21Å; R114-T117 WeakPolarHBondContact CA-OG1 3.45Å; R114-T117 PolarHBondContact O-N 3.18Å; R114-T117 PolarHBondContact O-OG1 2.69Å |
| 115 | Y | 93.6 | Very high | 76.5 | Confident | 77 Ų | 77 | 95.9 Ų | 95.9 | 30% | 0.302 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 123.6 | 179.4 | -179.1 | -101 | 0 | 0 | 0 | 111.1 | S112 T117 Q136 | S112-Y115 WeakPolarHBondContact O-CB 3.47Å; S112-Y115 PolarHBondContact O-N 3.46Å; Y115-T117 PolarHBondContact O-N 2.92Å; Y115-Q136 HydrophobicContact CD2-CB 4.32Å; Y115-Q136 HydrophobicContact CD2-CG 4.42Å |
| 116 | K | 93 | Very high | 78.9 | Confident | 16 Ų | 16 | 95.1 Ų | 95.1 | 7% | 0.07 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 32.1 | -176.3 | -65 | -172.8 | 176 | -68.9 | 0 | 114.3 | R114 C135 Q136 F137 A138 E143 L144 R145 | R114-K116 PolarHBondContact O-N 3.21Å; K116-C135 PolarHBondContact NZ-O 3.46Å; K116-Q136 WeakPolarHBondContact CA-O 3.33Å; K116-Q136 PolarHBondContact N-O 3.23Å; K116-F137 PolarHBondContact NZ-O 2.83Å; K116-A138 HydrophobicContact CB-CB 4.21Å; K116-E143 WeakPolarHBondContact CB-O 3.49Å; K116-E143 HydrophobicContact CD-CB 4.13Å; K116-E143 HydrophobicContact CD-CG 4.12Å; K116-E143 IonicContact NZ-OE2 3.78Å; K116-E143 PolarHBondContact NZ-OE2 3.48Å; K116-L144 WeakPolarHBondContact O-CA 3.38Å; K116-R145 HydrophobicContact CB-CG 4.45Å; K116-R145 PolarHBondContact O-N 3.46Å |
| 117 | T | 92.1 | Very high | 81.7 | Confident | 18 Ų | 18 | 94.4 Ų | 94.4 | 11% | 0.11 | 52% | 0.515 | C | S | . | . | | | trans | -94.3 | -5.8 | 178.7 | 63.3 | 0 | 0 | 0 | 0 | 115 | R114 Y115 R145 L147 | R114-T117 WeakPolarHBondContact CA-OG1 3.45Å; R114-T117 PolarHBondContact O-N 3.18Å; R114-T117 PolarHBondContact O-OG1 2.69Å; Y115-T117 PolarHBondContact O-N 2.92Å; T117-R145 HydrophobicContact CG2-CB 4.37Å; T117-L147 HydrophobicContact CG2-CD1 4.42Å; T117-L147 HydrophobicContact CG2-CD2 3.82Å; T117-L147 HydrophobicContact CG2-CG 3.75Å |
| 118 | E | 92.4 | Very high | 84.2 | Confident | 79 Ų | 79 | 92.7 Ų | 92.7 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -133.4 | 149.4 | 174.8 | -66.5 | 179.5 | -163.9 | 0 | 0 | 108.1 | F137 A138 | E118-F137 HydrophobicContact CB-CD1 4.04Å; E118-F137 HydrophobicContact CB-CE1 4.37Å; E118-F137 WeakPolarHBondContact O-CA 3.45Å; E118-F137 WeakPolarHBondContact O-CB 3.4Å; E118-A138 PolarHBondContact O-N 2.95Å |
| 119 | L | 94.8 | Very high | 86.8 | Confident | 66 Ų | 66 | 89.8 Ų | 89.8 | 35% | 0.346 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -71.3 | 148.3 | 178.4 | -69.9 | 173.1 | 0 | 0 | 0 | 111.8 | R121 A138 L144 | L119-R121 PolarHBondContact O-N 3.06Å; L119-A138 HydrophobicContact CD2-CB 4.2Å; L119-L144 HydrophobicContact CD2-CB 4.39Å; L119-L144 HydrophobicContact CD2-CD1 4.21Å; L119-L144 HydrophobicContact CD2-CD2 4.24Å; L119-L144 HydrophobicContact CG-CD1 4.23Å; L119-L144 HydrophobicContact CG-CD2 4.25Å |
| 120 | C | 96.4 | Very high | 88.9 | Confident | 6 Ų | 6 | 90.8 Ų | 90.8 | 4% | 0.041 | 48% | 0.475 | C | S | . | . | | | trans | -85.5 | 99.6 | -179 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | F123 E124 C129 C135 F137 A138 | C120-F123 HydrophobicContact CB-CB 3.94Å; C120-F123 WeakPolarHBondContact O-CA 3.39Å; C120-F123 WeakPolarHBondContact O-CB 3.35Å; C120-F123 PolarHBondContact O-N 2.76Å; C120-E124 PolarHBondContact O-N 3.33Å; C120-C129 VanDerWaalsContact SG-SG 3.66Å; C120-C135 PolarHBondContact SG-SG 3.14Å; C120-F137 HydrophobicContact CB-CB 3.62Å; C120-A138 VanDerWaalsContact CB-O 3.3Å; C120-A138 WeakPolarHBondContact CB-O 3.44Å; C120-A138 PolarHBondContact N-O 2.83Å |
| 121 | R | 95.3 | Very high | 91 | Very high | 177 Ų | 177 | 90.8 Ų | 90.8 | 67% | 0.668 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -51.9 | -44.8 | -178.1 | -68.5 | -168.6 | -176.3 | -171.8 | -2.7 | 115.8 | L119 F123 E124 E125 | L119-R121 PolarHBondContact O-N 3.06Å; R121-F123 PolarHBondContact O-N 3.04Å; R121-E124 PolarHBondContact O-N 3.3Å; R121-E124 VanDerWaalsContact O-N 3.12Å; R121-E125 WeakPolarHBondContact O-CB 3.42Å; R121-E125 WeakPolarHBondContact O-CG 3.49Å; R121-E125 PolarHBondContact O-N 3.23Å |
| 122 | P | 96.4 | Very high | 92.8 | Very high | 64 Ų | 64 | 85.3 Ų | 85.3 | 42% | 0.416 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.3 | -34.5 | 176.1 | -25.1 | 35.2 | 0 | 0 | 0 | 113.3 | N126 A128 | P122-N126 VanDerWaalsContact O-CB 3.29Å; P122-N126 WeakPolarHBondContact O-CB 3.48Å; P122-N126 PolarHBondContact O-N 3.39Å; P122-N126 PolarHBondContact O-OD1 3.18Å; P122-A128 CarbonylContact C-O 3.46Å |
| 123 | F | 96.6 | Very high | 93.6 | Very high | 70 Ų | 70 | 88.2 Ų | 88.2 | 31% | 0.307 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -73.1 | -38.7 | 174.8 | -164.9 | -85.8 | 0 | 0 | 0 | 111.8 | C120 R121 G127 C129 H139 | C120-F123 HydrophobicContact CB-CB 3.94Å; C120-F123 WeakPolarHBondContact O-CA 3.39Å; C120-F123 WeakPolarHBondContact O-CB 3.35Å; C120-F123 PolarHBondContact O-N 2.76Å; R121-F123 PolarHBondContact O-N 3.04Å; F123-G127 WeakPolarHBondContact CE2-O 3.27Å; F123-G127 WeakPolarHBondContact O-CA 3.05Å; F123-G127 PolarHBondContact O-N 3.18Å; F123-C129 HydrophobicContact CB-CB 4.15Å; F123-C129 HydrophobicContact CD2-CB 4.08Å; F123-H139 HydrophobicContact CD1-CB 3.72Å; F123-H139 WeakPolarHBondContact CD1-O 3.4Å; F123-H139 HydrophobicContact CD2-CB 3.95Å; F123-H139 AromaticContact CD2-CD2 3.73Å; F123-H139 AromaticContact CD2-CG 3.59Å; F123-H139 AromaticContact CD2-ND1 3.83Å; F123-H139 HydrophobicContact CE1-CB 3.83Å; F123-H139 WeakPolarHBondContact CE1-O 3.3Å; F123-H139 HydrophobicContact CE2-CB 4.05Å; F123-H139 AromaticContact CE2-CG 3.98Å; F123-H139 HydrophobicContact CG-CB 3.78Å; F123-H139 AromaticContact CG-CD2 3.65Å; F123-H139 AromaticContact CG-CG 3.71Å; F123-H139 HydrophobicContact CZ-CB 3.99Å |
| 124 | E | 95.3 | Very high | 94.3 | Very high | 128 Ų | 128 | 91.7 Ų | 91.7 | 60% | 0.598 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.2 | -40.9 | 176.9 | -169.3 | 178.8 | 172.5 | 0 | 0 | 112.3 | C120 R121 | C120-E124 PolarHBondContact O-N 3.33Å; R121-E124 PolarHBondContact O-N 3.3Å; R121-E124 VanDerWaalsContact O-N 3.12Å |
| 125 | E | 95.3 | Very high | 94.7 | Very high | 133 Ų | 133 | 83.4 Ų | 83.4 | 62% | 0.621 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -85 | -32.4 | -177 | -67.9 | 169.1 | -161.5 | 0 | 0 | 113.2 | R121 | R121-E125 WeakPolarHBondContact O-CB 3.42Å; R121-E125 WeakPolarHBondContact O-CG 3.49Å; R121-E125 PolarHBondContact O-N 3.23Å |
| 126 | N | 94.4 | Very high | 94.7 | Very high | 123 Ų | 123 | 86.3 Ų | 86.3 | 66% | 0.658 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -122.7 | -1.9 | -172.9 | -49.6 | 127.9 | 0 | 0 | 0 | 114.8 | P122 A128 | P122-N126 VanDerWaalsContact O-CB 3.29Å; P122-N126 WeakPolarHBondContact O-CB 3.48Å; P122-N126 PolarHBondContact O-N 3.39Å; P122-N126 PolarHBondContact O-OD1 3.18Å; N126-A128 PolarHBondContact O-N 3.02Å; N126-A128 VanDerWaalsContact O-N 3.13Å |
| 127 | G | 93.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 90.1 Ų | 90.1 | 53% | 0.526 | 45% | 0.453 | S | S | . | . | S | Bend | trans | 68.3 | 2.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F123 | F123-G127 WeakPolarHBondContact CE2-O 3.27Å; F123-G127 WeakPolarHBondContact O-CA 3.05Å; F123-G127 PolarHBondContact O-N 3.18Å |
| 128 | A | 94.9 | Very high | 95 | Very high | 63 Ų | 63 | 89.3 Ų | 89.3 | 52% | 0.521 | 45% | 0.448 | S | S | . | . | | | trans | -143.4 | 138 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P122 N126 | P122-A128 CarbonylContact C-O 3.46Å; N126-A128 PolarHBondContact O-N 3.02Å; N126-A128 VanDerWaalsContact O-N 3.13Å |
| 129 | C | 96.9 | Very high | 95.2 | Very high | 20 Ų | 20 | 86.5 Ų | 86.5 | 14% | 0.135 | 44% | 0.435 | C | S | . | . | | | trans | -127.7 | 126.5 | 177.3 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | C120 F123 Y131 G132 H139 | C120-C129 VanDerWaalsContact SG-SG 3.66Å; F123-C129 HydrophobicContact CB-CB 4.15Å; F123-C129 HydrophobicContact CD2-CB 4.08Å; C129-Y131 PolarHBondContact O-N 3.32Å; C129-G132 PolarHBondContact O-N 3.22Å; C129-H139 WeakPolarHBondContact CB-NE2 3.21Å; C129-H139 PolarHBondContact SG-NE2 3.01Å |
| 130 | K | 95.7 | Very high | 95.1 | Very high | 181 Ų | 181 | 84.2 Ų | 84.2 | 79% | 0.787 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -15.7 | 178.1 | 66.7 | -171.6 | -179.5 | -177.1 | 0 | 115.5 | | |
| 131 | Y | 94.3 | Very high | 94.9 | Very high | 138 Ų | 138 | 91.1 Ų | 91.1 | 54% | 0.541 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -13 | 178.7 | -60.3 | -66.3 | 0 | 0 | 0 | 113.8 | C129 K134 | C129-Y131 PolarHBondContact O-N 3.32Å; Y131-K134 WeakPolarHBondContact O-CB 3.04Å; Y131-K134 PolarHBondContact O-N 3.22Å |
| 132 | G | 93.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 89.5 Ų | 89.5 | 31% | 0.309 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | 51.3 | -144.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | C129 K134 C135 H139 | C129-G132 PolarHBondContact O-N 3.22Å; G132-K134 PolarHBondContact O-N 2.97Å; G132-C135 WeakPolarHBondContact O-CB 3.3Å; G132-C135 PolarHBondContact O-N 2.85Å; G132-H139 PolarHBondContact O-CE1 2.81Å |
| 133 | D | 93.5 | Very high | 94.6 | Very high | 132 Ų | 132 | 88.5 Ų | 88.5 | 71% | 0.706 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -63.4 | -18 | -176.3 | -44.5 | -52.9 | 0 | 0 | 0 | 113.8 | C135 | D133-C135 PolarHBondContact O-N 2.98Š|
| 134 | K | 94.3 | Very high | 94.4 | Very high | 177 Ų | 177 | 88.5 Ų | 88.5 | 77% | 0.77 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -75 | -2 | 173.3 | -63.9 | -179.3 | -70 | -68.8 | 0 | 112.9 | Y131 G132 Q136 | Y131-K134 WeakPolarHBondContact O-CB 3.04Å; Y131-K134 PolarHBondContact O-N 3.22Å; G132-K134 PolarHBondContact O-N 2.97Å; K134-Q136 PolarHBondContact O-N 3.11Å |
| 135 | C | 95.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 89.4 Ų | 89.4 | 1% | 0.014 | 45% | 0.452 | C | S | . | . | | | trans | -58.3 | 128.9 | 173.6 | -168.2 | 0 | 0 | 0 | 0 | 111 | K116 C120 G132 D133 F137 H139 | K116-C135 PolarHBondContact NZ-O 3.46Å; C120-C135 PolarHBondContact SG-SG 3.14Å; G132-C135 WeakPolarHBondContact O-CB 3.3Å; G132-C135 PolarHBondContact O-N 2.85Å; D133-C135 PolarHBondContact O-N 2.98Å; C135-F137 PolarHBondContact O-N 3.44Å; C135-F137 PolarHBondContact SG-N 3.3Å; C135-H139 VanDerWaalsContact CB-NE2 3.3Å; C135-H139 WeakPolarHBondContact CB-NE2 3.17Å |
| 136 | Q | 94.5 | Very high | 93.5 | Very high | 138 Ų | 138 | 88.3 Ų | 88.3 | 65% | 0.645 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -73.8 | -10.3 | 175.3 | -63.1 | -174.9 | 10.1 | 0 | 0 | 113 | Y115 K116 K134 | Y115-Q136 HydrophobicContact CD2-CB 4.32Å; Y115-Q136 HydrophobicContact CD2-CG 4.42Å; K116-Q136 WeakPolarHBondContact CA-O 3.33Å; K116-Q136 PolarHBondContact N-O 3.23Å; K134-Q136 PolarHBondContact O-N 3.11Å |
| 137 | F | 94.8 | Very high | 93 | Very high | 97 Ų | 97 | 85.1 Ų | 85.1 | 43% | 0.425 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -101.9 | 160.6 | 174.2 | -58.4 | -81.6 | 0 | 0 | 0 | 109.9 | K116 E118 C120 C135 | K116-F137 PolarHBondContact NZ-O 2.83Å; E118-F137 HydrophobicContact CB-CD1 4.04Å; E118-F137 HydrophobicContact CB-CE1 4.37Å; E118-F137 WeakPolarHBondContact O-CA 3.45Å; E118-F137 WeakPolarHBondContact O-CB 3.4Å; C120-F137 HydrophobicContact CB-CB 3.62Å; C135-F137 PolarHBondContact O-N 3.44Å; C135-F137 PolarHBondContact SG-N 3.3Å |
| 138 | A | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 89.4 Ų | 89.4 | 0% | 0 | 46% | 0.458 | C | S | . | . | B | Isolated β-bridge | trans | -83 | 134.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K116 E118 L119 C120 G140 E143 L144 | K116-A138 HydrophobicContact CB-CB 4.21Å; E118-A138 PolarHBondContact O-N 2.95Å; L119-A138 HydrophobicContact CD2-CB 4.2Å; C120-A138 VanDerWaalsContact CB-O 3.3Å; C120-A138 WeakPolarHBondContact CB-O 3.44Å; C120-A138 PolarHBondContact N-O 2.83Å; A138-G140 VanDerWaalsContact C-N 3.25Å; A138-E143 HydrophobicContact CB-CB 3.72Å; A138-L144 HydrophobicContact CB-CB 3.96Å; A138-L144 HydrophobicContact CB-CD1 3.95Å |
| 139 | H | 96.2 | Very high | 91.7 | Very high | 21 Ų | 21 | 92 Ų | 92 | 10% | 0.097 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -82.5 | -0.8 | 173.9 | -68.3 | 166.9 | 0 | 0 | 0 | 113.5 | F123 C129 G132 C135 E143 | F123-H139 HydrophobicContact CD1-CB 3.72Å; F123-H139 WeakPolarHBondContact CD1-O 3.4Å; F123-H139 HydrophobicContact CD2-CB 3.95Å; F123-H139 AromaticContact CD2-CD2 3.73Å; F123-H139 AromaticContact CD2-CG 3.59Å; F123-H139 AromaticContact CD2-ND1 3.83Å; F123-H139 HydrophobicContact CE1-CB 3.83Å; F123-H139 WeakPolarHBondContact CE1-O 3.3Å; F123-H139 HydrophobicContact CE2-CB 4.05Å; F123-H139 AromaticContact CE2-CG 3.98Å; F123-H139 HydrophobicContact CG-CB 3.78Å; F123-H139 AromaticContact CG-CD2 3.65Å; F123-H139 AromaticContact CG-CG 3.71Å; F123-H139 HydrophobicContact CZ-CB 3.99Å; C129-H139 WeakPolarHBondContact CB-NE2 3.21Å; C129-H139 PolarHBondContact SG-NE2 3.01Å; G132-H139 PolarHBondContact O-CE1 2.81Å; C135-H139 VanDerWaalsContact CB-NE2 3.3Å; C135-H139 WeakPolarHBondContact CB-NE2 3.17Å; H139-E143 IonicContact CG-OE2 2.97Å; H139-E143 PolarHBondContact N-OE2 3.12Å |
| 140 | G | 93.5 | Very high | 90.9 | Very high | 17 Ų | 17 | 97.7 Ų | 97.7 | 18% | 0.175 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -178 | 179.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A138 H142 E143 L144 | A138-G140 VanDerWaalsContact C-N 3.25Å; G140-H142 PolarHBondContact O-N 3.45Å; G140-E143 PolarHBondContact O-N 3.32Å; G140-E143 VanDerWaalsContact O-N 3.11Å; G140-L144 PolarHBondContact O-N 2.77Å; G140-L144 VanDerWaalsContact O-N 3.14Å |
| 141 | I | 91.8 | Very high | 90.3 | Very high | 151 Ų | 151 | 93.3 Ų | 93.3 | 77% | 0.774 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.2 | 177.7 | 58 | 170.3 | 0 | 0 | 0 | 113.1 | E143 L144 | I141-E143 VanDerWaalsContact C-N 3.29Å; I141-E143 PolarHBondContact O-N 2.9Å; I141-L144 PolarHBondContact O-N 3.36Å |
| 142 | H | 91.7 | Very high | 89.8 | Confident | 143 Ų | 143 | 92.9 Ų | 92.9 | 66% | 0.662 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -28.3 | 177.2 | 65.6 | -70.1 | 0 | 0 | 0 | 113.1 | G140 | G140-H142 PolarHBondContact O-N 3.45Š|
| 143 | E | 93.4 | Very high | 89.4 | Confident | 44 Ų | 44 | 93.2 Ų | 93.2 | 21% | 0.206 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -16.5 | 177.5 | -93 | 168.4 | -129.5 | 0 | 0 | 113.1 | K116 A138 H139 G140 I141 R145 | K116-E143 WeakPolarHBondContact CB-O 3.49Å; K116-E143 HydrophobicContact CD-CB 4.13Å; K116-E143 HydrophobicContact CD-CG 4.12Å; K116-E143 IonicContact NZ-OE2 3.78Å; K116-E143 PolarHBondContact NZ-OE2 3.48Å; A138-E143 HydrophobicContact CB-CB 3.72Å; H139-E143 IonicContact CG-OE2 2.97Å; H139-E143 PolarHBondContact N-OE2 3.12Å; G140-E143 PolarHBondContact O-N 3.32Å; G140-E143 VanDerWaalsContact O-N 3.11Å; I141-E143 VanDerWaalsContact C-N 3.29Å; I141-E143 PolarHBondContact O-N 2.9Å; E143-R145 PolarHBondContact O-N 3.36Å |
| 144 | L | 93.8 | Very high | 89.1 | Confident | 69 Ų | 69 | 87.9 Ų | 87.9 | 36% | 0.361 | 43% | 0.432 | S | S | . | . | | | trans | -73.9 | 106.6 | -171.6 | -172.3 | 68.6 | 0 | 0 | 0 | 110.9 | K116 L119 A138 G140 I141 | K116-L144 WeakPolarHBondContact O-CA 3.38Å; L119-L144 HydrophobicContact CD2-CB 4.39Å; L119-L144 HydrophobicContact CD2-CD1 4.21Å; L119-L144 HydrophobicContact CD2-CD2 4.24Å; L119-L144 HydrophobicContact CG-CD1 4.23Å; L119-L144 HydrophobicContact CG-CD2 4.25Å; A138-L144 HydrophobicContact CB-CB 3.96Å; A138-L144 HydrophobicContact CB-CD1 3.95Å; G140-L144 PolarHBondContact O-N 2.77Å; G140-L144 VanDerWaalsContact O-N 3.14Å; I141-L144 PolarHBondContact O-N 3.36Å |
| 145 | R | 89.6 | Confident | 88.8 | Confident | 147 Ų | 147 | 82.5 Ų | 82.5 | 56% | 0.555 | 41% | 0.414 | S | S | * | . | | | trans | -79.3 | 133.5 | 178.2 | -64.1 | -175.5 | 177.8 | 179.5 | -1.3 | 110.9 | K116 T117 E143 L147 | K116-R145 HydrophobicContact CB-CG 4.45Å; K116-R145 PolarHBondContact O-N 3.46Å; T117-R145 HydrophobicContact CG2-CB 4.37Å; E143-R145 PolarHBondContact O-N 3.36Å; R145-L147 PolarHBondContact O-N 2.9Å |
| 146 | S | 81.5 | Confident | 88.6 | Confident | 111 Ų | 111 | 86.6 Ų | 86.6 | 78% | 0.776 | 43% | 0.433 | S | S | * | . | | | trans | -66 | 129.1 | 172.6 | 46.8 | 0 | 0 | 0 | 0 | 111.1 | T148 | S146-T148 PolarHBondContact O-N 2.91Š|
| 147 | L | 82.9 | Confident | 88.6 | Confident | 55 Ų | 55 | 83.8 Ų | 83.8 | 29% | 0.288 | 42% | 0.422 | S | S | . | . | | | trans | -77.2 | 102.4 | 173.1 | -79.8 | 142.4 | 0 | 0 | 0 | 110 | T117 R145 R149 | T117-L147 HydrophobicContact CG2-CD1 4.42Å; T117-L147 HydrophobicContact CG2-CD2 3.82Å; T117-L147 HydrophobicContact CG2-CG 3.75Å; R145-L147 PolarHBondContact O-N 2.9Å; L147-R149 VanDerWaalsContact C-N 3.32Å; L147-R149 HydrophobicContact CB-CG 3.9Å; L147-R149 PolarHBondContact O-N 2.98Å |
| 148 | T | 80 | Confident | 88.6 | Confident | 142 Ų | 142 | 79.3 Ų | 79.3 | 87% | 0.871 | 40% | 0.403 | S | S | * | . | | | trans | -67.9 | 92.1 | 162.8 | -52.3 | 0 | 0 | 0 | 0 | 108.8 | S146 | S146-T148 PolarHBondContact O-N 2.91Š|
| 149 | R | 81.6 | Confident | 88.5 | Confident | 117 Ų | 117 | 89.3 Ų | 89.3 | 44% | 0.442 | 44% | 0.441 | S | S | . | . | | | trans | -88.9 | 150 | 179.3 | -55.4 | -176.1 | -157.9 | -127.6 | 9.9 | 110.7 | L147 Y153 | L147-R149 VanDerWaalsContact C-N 3.32Å; L147-R149 HydrophobicContact CB-CG 3.9Å; L147-R149 PolarHBondContact O-N 2.98Å; R149-Y153 HydrophobicContact CB-CD1 4.39Å; R149-Y153 HydrophobicContact CB-CG 4.05Å; R149-Y153 VanDerWaalsContact CD-CE1 3.43Å; R149-Y153 VanDerWaalsContact CD-CG 3.47Å; R149-Y153 HydrophobicContact CG-CD1 4.48Å; R149-Y153 HydrophobicContact CG-CG 4.37Å; R149-Y153 PolarHBondContact NH1-OH 3.39Å |
| 150 | H | 80.9 | Confident | 88.4 | Confident | 140 Ų | 140 | 91.2 Ų | 91.2 | 65% | 0.648 | 45% | 0.454 | S | S | * | . | | | trans | -54.6 | 142.3 | 173.2 | -174 | -96.3 | 0 | 0 | 0 | 111.2 | K152 Y153 | H150-K152 WeakPolarHBondContact ND1-CB 3.37Å; H150-K152 PolarHBondContact ND1-N 3.37Å; H150-K152 PolarHBondContact O-N 3.29Å; H150-Y153 VanDerWaalsContact O-CB 3.27Å; H150-Y153 WeakPolarHBondContact O-CB 3.29Å; H150-Y153 PolarHBondContact O-N 3.19Å |
| 151 | P | 81.8 | Confident | 88.5 | Confident | 89 Ų | 89 | 93.4 Ų | 93.4 | 58% | 0.578 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -19.6 | -177.4 | 19.5 | -34.1 | 0 | 0 | 0 | 115.3 | Y153 T155 | P151-Y153 VanDerWaalsContact C-N 3.33Å; P151-T155 WeakPolarHBondContact O-CG2 3.49Å |
| 152 | K | 84 | Confident | 88.5 | Confident | 128 Ų | 128 | 91 Ų | 91 | 56% | 0.557 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 1.5 | 173 | -153.3 | -178.2 | 174.4 | -177.6 | 0 | 114.5 | H150 K154 T155 E156 | H150-K152 WeakPolarHBondContact ND1-CB 3.37Å; H150-K152 PolarHBondContact ND1-N 3.37Å; H150-K152 PolarHBondContact O-N 3.29Å; K152-K154 PolarHBondContact O-N 2.94Å; K152-T155 PolarHBondContact O-OG1 3.09Å; K152-E156 WeakPolarHBondContact CE-OE1 3.46Å; K152-E156 IonicContact NZ-OE1 2.75Å; K152-E156 PolarHBondContact NZ-OE1 3.29Å |
| 153 | Y | 85.9 | Confident | 88.7 | Confident | 38 Ų | 38 | 89.4 Ų | 89.4 | 15% | 0.149 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 130 | 176.5 | 178.2 | -95 | 0 | 0 | 0 | 111.2 | R149 H150 P151 T155 C173 H174 | R149-Y153 HydrophobicContact CB-CD1 4.39Å; R149-Y153 HydrophobicContact CB-CG 4.05Å; R149-Y153 VanDerWaalsContact CD-CE1 3.43Å; R149-Y153 VanDerWaalsContact CD-CG 3.47Å; R149-Y153 HydrophobicContact CG-CD1 4.48Å; R149-Y153 HydrophobicContact CG-CG 4.37Å; R149-Y153 PolarHBondContact NH1-OH 3.39Å; H150-Y153 VanDerWaalsContact O-CB 3.27Å; H150-Y153 WeakPolarHBondContact O-CB 3.29Å; H150-Y153 PolarHBondContact O-N 3.19Å; P151-Y153 VanDerWaalsContact C-N 3.33Å; Y153-T155 VanDerWaalsContact C-N 3.26Å; Y153-T155 PolarHBondContact O-N 3.33Å; Y153-C173 PolarHBondContact OH-O 3.06Å; Y153-H174 HydrophobicContact CD2-CB 4.32Å; Y153-H174 HydrophobicContact CE2-CB 4.33Å; Y153-H174 AromaticContact CE2-CD2 3.86Å |
| 154 | K | 87 | Confident | 88.7 | Confident | 19 Ų | 19 | 93.2 Ų | 93.2 | 8% | 0.083 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 43.6 | -178.4 | -75 | -166.5 | 172.2 | -162.3 | 0 | 113.6 | K152 C173 H174 F175 I176 E181 L185 | K152-K154 PolarHBondContact O-N 2.94Å; K154-C173 VanDerWaalsContact CE-O 3.22Å; K154-C173 WeakPolarHBondContact CE-O 3.4Å; K154-H174 VanDerWaalsContact CA-O 3.29Å; K154-H174 WeakPolarHBondContact CA-O 2.94Å; K154-H174 PolarHBondContact N-O 3.45Å; K154-F175 WeakPolarHBondContact CE-O 3.35Å; K154-I176 HydrophobicContact CB-CG1 4Å; K154-I176 VanDerWaalsContact O-CD1 3.26Å; K154-I176 WeakPolarHBondContact O-CD1 3.03Å; K154-I176 WeakPolarHBondContact O-CG1 3.29Å; K154-E181 IonicContact NZ-OE1 2.73Å; K154-E181 PolarHBondContact NZ-OE1 3.49Å; K154-E181 IonicContact NZ-OE2 2.81Å; K154-E181 PolarHBondContact NZ-OE2 3.17Å; K154-L185 HydrophobicContact CB-CD1 3.44Å; K154-L185 VanDerWaalsContact CB-CD1 3.44Å; K154-L185 HydrophobicContact CD-CD1 3.92Å; K154-L185 HydrophobicContact CG-CD1 4.29Å |
| 155 | T | 88.4 | Confident | 88.6 | Confident | 64 Ų | 64 | 92.6 Ų | 92.6 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | | | trans | -89.5 | -35.1 | 169.9 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | P151 K152 Y153 | P151-T155 WeakPolarHBondContact O-CG2 3.49Å; K152-T155 PolarHBondContact O-OG1 3.09Å; Y153-T155 VanDerWaalsContact C-N 3.26Å; Y153-T155 PolarHBondContact O-N 3.33Å |
| 156 | E | 91.3 | Very high | 88.8 | Confident | 88 Ų | 88 | 92 Ų | 92 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -103.4 | 149.7 | -176.6 | -66 | 169.7 | -142.1 | 0 | 0 | 111 | K152 F175 I176 | K152-E156 WeakPolarHBondContact CE-OE1 3.46Å; K152-E156 IonicContact NZ-OE1 2.75Å; K152-E156 PolarHBondContact NZ-OE1 3.29Å; E156-F175 HydrophobicContact CB-CD1 3.9Å; E156-F175 HydrophobicContact CB-CE1 4.18Å; E156-F175 WeakPolarHBondContact O-CA 3.36Å; E156-I176 PolarHBondContact O-N 3.36Å |
| 157 | L | 93.6 | Very high | 89.5 | Confident | 79 Ų | 79 | 86.9 Ų | 86.9 | 41% | 0.414 | 44% | 0.441 | S | S | . | . | B | Isolated β-bridge | trans | -71.5 | 140.1 | 176.7 | -105.7 | 66.7 | 0 | 0 | 0 | 111.4 | R159 H162 I176 R182 | L157-R159 PolarHBondContact O-N 2.85Å; L157-H162 WeakPolarHBondContact CD2-NE2 3.12Å; L157-I176 HydrophobicContact CD1-CB 4.2Å; L157-I176 HydrophobicContact CD1-CD1 4.05Å; L157-I176 HydrophobicContact CD1-CG2 4.38Å; L157-R182 VanDerWaalsContact CD1-NH2 3.29Å |
| 158 | C | 95.1 | Very high | 90 | Very high | 4 Ų | 4 | 88.6 Ų | 88.6 | 3% | 0.027 | 46% | 0.456 | C | S | . | . | | | trans | -74 | 106.9 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | T160 F161 H162 F175 I176 H177 | C158-T160 PolarHBondContact O-N 3.49Å; C158-F161 HydrophobicContact CB-CB 3.92Å; C158-F161 PolarHBondContact O-N 3.11Å; C158-H162 PolarHBondContact O-CD2 3.37Å; C158-H162 PolarHBondContact O-N 3.21Å; C158-H162 VanDerWaalsContact O-N 3.08Å; C158-F175 HydrophobicContact CB-CB 3.6Å; C158-I176 WeakPolarHBondContact CB-O 3.33Å; C158-I176 PolarHBondContact N-O 3.01Å; C158-H177 WeakPolarHBondContact CB-CD2 3.26Å; C158-H177 PolarHBondContact SG-NE2 3.27Å; C158-H177 VanDerWaalsContact SG-NE2 3.44Å |
| 159 | R | 94.6 | Very high | 90.6 | Very high | 210 Ų | 210 | 89.4 Ų | 89.4 | 79% | 0.792 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -53.9 | -53.2 | 178.9 | -63 | -177.5 | -175.8 | 178.8 | 0.4 | 111 | L157 F161 H162 T163 | L157-R159 PolarHBondContact O-N 2.85Å; R159-F161 VanDerWaalsContact C-N 3.33Å; R159-F161 PolarHBondContact O-N 3.48Å; R159-H162 CarbonylContact O-C 3.58Å; R159-H162 PolarHBondContact O-N 2.97Å; R159-H162 VanDerWaalsContact O-N 3.09Å; R159-T163 WeakPolarHBondContact O-CB 3.42Å; R159-T163 WeakPolarHBondContact O-CG2 3.42Å; R159-T163 PolarHBondContact O-N 3.41Å; R159-T163 PolarHBondContact O-OG1 2.99Å |
| 160 | T | 94.1 | Very high | 91 | Very high | 60 Ų | 60 | 84.9 Ų | 84.9 | 37% | 0.368 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -52.8 | -47.1 | -179.2 | -45.4 | 0 | 0 | 0 | 0 | 112.7 | C158 T163 I164 F166 | C158-T160 PolarHBondContact O-N 3.49Å; T160-T163 PolarHBondContact O-N 2.91Å; T160-T163 PolarHBondContact O-OG1 3.12Å; T160-I164 HydrophobicContact CG2-CD1 3.93Å; T160-I164 WeakPolarHBondContact O-CB 3.32Å; T160-I164 PolarHBondContact O-N 2.95Å; T160-F166 CarbonylContact C-O 3.59Å |
| 161 | F | 95.1 | Very high | 91.4 | Very high | 63 Ų | 63 | 83.1 Ų | 83.1 | 28% | 0.276 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 178.5 | -171.7 | -94 | 0 | 0 | 0 | 111.9 | C158 R159 G165 C167 H177 | C158-F161 HydrophobicContact CB-CB 3.92Å; C158-F161 PolarHBondContact O-N 3.11Å; R159-F161 VanDerWaalsContact C-N 3.33Å; R159-F161 PolarHBondContact O-N 3.48Å; F161-G165 WeakPolarHBondContact CE2-O 3.47Å; F161-G165 CarbonylContact O-C 3.55Å; F161-G165 WeakPolarHBondContact O-CA 3.15Å; F161-G165 PolarHBondContact O-N 3.37Å; F161-C167 HydrophobicContact CB-CB 4Å; F161-C167 HydrophobicContact CD2-CB 4.07Å; F161-H177 HydrophobicContact CB-CB 4.48Å; F161-H177 HydrophobicContact CD1-CB 3.85Å; F161-H177 WeakPolarHBondContact CD1-O 3Å; F161-H177 HydrophobicContact CD2-CB 4.06Å; F161-H177 AromaticContact CD2-CG 3.83Å; F161-H177 AromaticContact CD2-ND1 3.93Å; F161-H177 HydrophobicContact CE1-CB 4.06Å; F161-H177 WeakPolarHBondContact CE1-O 3.18Å; F161-H177 HydrophobicContact CE2-CB 4.26Å; F161-H177 HydrophobicContact CG-CB 3.85Å; F161-H177 AromaticContact CG-CD2 3.91Å; F161-H177 AromaticContact CG-CG 3.79Å; F161-H177 HydrophobicContact CZ-CB 4.26Å |
| 162 | H | 92.7 | Very high | 91.7 | Very high | 102 Ų | 102 | 86.5 Ų | 86.5 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -76 | -21.2 | -179.8 | -80 | -82.6 | 0 | 0 | 0 | 114.5 | L157 C158 R159 H177 | L157-H162 WeakPolarHBondContact CD2-NE2 3.12Å; C158-H162 PolarHBondContact O-CD2 3.37Å; C158-H162 PolarHBondContact O-N 3.21Å; C158-H162 VanDerWaalsContact O-N 3.08Å; R159-H162 CarbonylContact O-C 3.58Å; R159-H162 PolarHBondContact O-N 2.97Å; R159-H162 VanDerWaalsContact O-N 3.09Å; H162-H177 PolarHBondContact NE2-O 2.9Å |
| 163 | T | 94.9 | Very high | 92.1 | Very high | 109 Ų | 109 | 80.7 Ų | 80.7 | 67% | 0.669 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -92.7 | -30.8 | 177.4 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | R159 T160 | R159-T163 WeakPolarHBondContact O-CB 3.42Å; R159-T163 WeakPolarHBondContact O-CG2 3.42Å; R159-T163 PolarHBondContact O-N 3.41Å; R159-T163 PolarHBondContact O-OG1 2.99Å; T160-T163 PolarHBondContact O-N 2.91Å; T160-T163 PolarHBondContact O-OG1 3.12Å |
| 164 | I | 94.2 | Very high | 92.4 | Very high | 124 Ų | 124 | 84.4 Ų | 84.4 | 64% | 0.636 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -114.5 | -11.9 | -173 | -59.3 | 166.1 | 0 | 0 | 0 | 111.4 | T160 F166 | T160-I164 HydrophobicContact CG2-CD1 3.93Å; T160-I164 WeakPolarHBondContact O-CB 3.32Å; T160-I164 PolarHBondContact O-N 2.95Å; I164-F166 PolarHBondContact O-N 3.28Å |
| 165 | G | 91.5 | Very high | 92.6 | Very high | 56 Ų | 56 | 87.8 Ų | 87.8 | 58% | 0.577 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 76.7 | -5.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | F161 | F161-G165 WeakPolarHBondContact CE2-O 3.47Å; F161-G165 CarbonylContact O-C 3.55Å; F161-G165 WeakPolarHBondContact O-CA 3.15Å; F161-G165 PolarHBondContact O-N 3.37Å |
| 166 | F | 93.7 | Very high | 92.8 | Very high | 135 Ų | 135 | 85 Ų | 85 | 59% | 0.592 | 43% | 0.427 | S | S | * | . | | | trans | -140.2 | 148.9 | -176.2 | 177.6 | -104.1 | 0 | 0 | 0 | 111.4 | T160 I164 P168 | T160-F166 CarbonylContact C-O 3.59Å; I164-F166 PolarHBondContact O-N 3.28Å; F166-P168 HydrophobicContact CE1-CB 4.26Å |
| 167 | C | 95.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 81.4 Ų | 81.4 | 2% | 0.02 | 41% | 0.411 | C | S | . | . | | | trans | -137.1 | 122.9 | 175.1 | 173.8 | 0 | 0 | 0 | 0 | 110 | F161 Y169 G170 H177 | F161-C167 HydrophobicContact CB-CB 4Å; F161-C167 HydrophobicContact CD2-CB 4.07Å; C167-Y169 PolarHBondContact O-N 3.13Å; C167-Y169 VanDerWaalsContact O-N 3.11Å; C167-G170 PolarHBondContact O-N 2.86Å; C167-H177 WeakPolarHBondContact CB-CE1 3.35Å; C167-H177 WeakPolarHBondContact CB-NE2 3.36Å; C167-H177 PolarHBondContact SG-CE1 2.81Å; C167-H177 PolarHBondContact SG-NE2 2.73Å |
| 168 | P | 94.6 | Very high | 92.2 | Very high | 91 Ų | 91 | 81.8 Ų | 81.8 | 59% | 0.591 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17 | -175.4 | 28 | -36.1 | 0 | 0 | 0 | 113.6 | F166 | F166-P168 HydrophobicContact CE1-CB 4.26Š|
| 169 | Y | 91.8 | Very high | 90.8 | Very high | 158 Ų | 158 | 84.6 Ų | 84.6 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -16.2 | 175.6 | -56.4 | -70 | 0 | 0 | 0 | 113.4 | C167 R172 | C167-Y169 PolarHBondContact O-N 3.13Å; C167-Y169 VanDerWaalsContact O-N 3.11Å; Y169-R172 PolarHBondContact O-N 2.96Å |
| 170 | G | 90.3 | Very high | 89.6 | Confident | 23 Ų | 23 | 80.2 Ų | 80.2 | 24% | 0.237 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | 51 | -136.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | C167 R172 C173 H177 | C167-G170 PolarHBondContact O-N 2.86Å; G170-R172 PolarHBondContact O-N 2.87Å; G170-R172 VanDerWaalsContact O-N 3.16Å; G170-C173 WeakPolarHBondContact O-CB 3.22Å; G170-C173 PolarHBondContact O-N 2.92Å; G170-C173 VanDerWaalsContact O-N 3.08Å; G170-H177 PolarHBondContact O-CE1 2.89Å |
| 171 | P | 89.3 | Confident | 88.5 | Confident | 103 Ų | 103 | 79.9 Ų | 79.9 | 67% | 0.669 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -67 | -15.9 | -177.5 | 29.3 | -36.1 | 0 | 0 | 0 | 113.8 | C173 | P171-C173 VanDerWaalsContact C-N 3.26Å; P171-C173 PolarHBondContact O-N 2.79Å |
| 172 | R | 88.4 | Confident | 87.1 | Confident | 159 Ų | 159 | 83.2 Ų | 83.2 | 60% | 0.6 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -81.7 | -2.1 | 175.3 | -63.8 | -175.2 | -65 | -110.6 | -1.8 | 113.1 | Y169 G170 H174 | Y169-R172 PolarHBondContact O-N 2.96Å; G170-R172 PolarHBondContact O-N 2.87Å; G170-R172 VanDerWaalsContact O-N 3.16Å; R172-H174 PolarHBondContact O-CD2 3.21Å; R172-H174 PolarHBondContact O-N 3.35Å |
| 173 | C | 92.6 | Very high | 85.7 | Confident | 6 Ų | 6 | 86.4 Ų | 86.4 | 4% | 0.041 | 44% | 0.438 | C | S | . | . | | | trans | -60.7 | 138.4 | 174.9 | -163.4 | 0 | 0 | 0 | 0 | 111.1 | Y153 K154 G170 P171 F175 H177 | Y153-C173 PolarHBondContact OH-O 3.06Å; K154-C173 VanDerWaalsContact CE-O 3.22Å; K154-C173 WeakPolarHBondContact CE-O 3.4Å; G170-C173 WeakPolarHBondContact O-CB 3.22Å; G170-C173 PolarHBondContact O-N 2.92Å; G170-C173 VanDerWaalsContact O-N 3.08Å; P171-C173 VanDerWaalsContact C-N 3.26Å; P171-C173 PolarHBondContact O-N 2.79Å; C173-F175 PolarHBondContact O-N 3.44Å; C173-H177 VanDerWaalsContact CB-CE1 3.48Å; C173-H177 WeakPolarHBondContact CB-CE1 3.21Å; C173-H177 WeakPolarHBondContact CB-NE2 3.48Å; C173-H177 PolarHBondContact SG-NE2 2.75Å; C173-H177 VanDerWaalsContact SG-NE2 3.44Å |
| 174 | H | 91 | Very high | 84.3 | Confident | 117 Ų | 117 | 84.5 Ų | 84.5 | 54% | 0.542 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -80.4 | -3.4 | 177 | -61 | 172.9 | 0 | 0 | 0 | 113.3 | Y153 K154 R172 | Y153-H174 HydrophobicContact CD2-CB 4.32Å; Y153-H174 HydrophobicContact CE2-CB 4.33Å; Y153-H174 AromaticContact CE2-CD2 3.86Å; K154-H174 VanDerWaalsContact CA-O 3.29Å; K154-H174 WeakPolarHBondContact CA-O 2.94Å; K154-H174 PolarHBondContact N-O 3.45Å; R172-H174 PolarHBondContact O-CD2 3.21Å; R172-H174 PolarHBondContact O-N 3.35Å |
| 175 | F | 92.9 | Very high | 82.8 | Confident | 90 Ų | 90 | 81.7 Ų | 81.7 | 40% | 0.395 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -113 | 158 | -179.7 | -60.2 | -77.6 | 0 | 0 | 0 | 110.7 | K154 E156 C158 C173 | K154-F175 WeakPolarHBondContact CE-O 3.35Å; E156-F175 HydrophobicContact CB-CD1 3.9Å; E156-F175 HydrophobicContact CB-CE1 4.18Å; E156-F175 WeakPolarHBondContact O-CA 3.36Å; C158-F175 HydrophobicContact CB-CB 3.6Å; C173-F175 PolarHBondContact O-N 3.44Å |
| 176 | I | 91.7 | Very high | 81.4 | Confident | 4 Ų | 4 | 82 Ų | 82 | 2% | 0.021 | 42% | 0.416 | C | S | . | . | B | Isolated β-bridge | trans | -72.1 | 130.1 | -178.2 | -56.5 | 165.1 | 0 | 0 | 0 | 109.4 | K154 E156 L157 C158 N178 E181 R182 | K154-I176 HydrophobicContact CB-CG1 4Å; K154-I176 VanDerWaalsContact O-CD1 3.26Å; K154-I176 WeakPolarHBondContact O-CD1 3.03Å; K154-I176 WeakPolarHBondContact O-CG1 3.29Å; E156-I176 PolarHBondContact O-N 3.36Å; L157-I176 HydrophobicContact CD1-CB 4.2Å; L157-I176 HydrophobicContact CD1-CD1 4.05Å; L157-I176 HydrophobicContact CD1-CG2 4.38Å; C158-I176 WeakPolarHBondContact CB-O 3.33Å; C158-I176 PolarHBondContact N-O 3.01Å; I176-N178 VanDerWaalsContact CG2-O 3.32Å; I176-N178 WeakPolarHBondContact CG2-O 3.39Å; I176-E181 HydrophobicContact CG2-CB 4.46Å; I176-R182 HydrophobicContact CD1-CB 4.34Å; I176-R182 HydrophobicContact CD1-CG 4.5Å; I176-R182 HydrophobicContact CG2-CB 4.21Å |
| 177 | H | 90.7 | Very high | 79.6 | Confident | 14 Ų | 14 | 77.4 Ų | 77.4 | 7% | 0.065 | 41% | 0.407 | C | S | . | . | | | trans | -95.9 | -44.1 | 172.2 | -72.3 | 178.3 | 0 | 0 | 0 | 112.4 | C158 F161 H162 C167 G170 C173 E181 | C158-H177 WeakPolarHBondContact CB-CD2 3.26Å; C158-H177 PolarHBondContact SG-NE2 3.27Å; C158-H177 VanDerWaalsContact SG-NE2 3.44Å; F161-H177 HydrophobicContact CB-CB 4.48Å; F161-H177 HydrophobicContact CD1-CB 3.85Å; F161-H177 WeakPolarHBondContact CD1-O 3Å; F161-H177 HydrophobicContact CD2-CB 4.06Å; F161-H177 AromaticContact CD2-CG 3.83Å; F161-H177 AromaticContact CD2-ND1 3.93Å; F161-H177 HydrophobicContact CE1-CB 4.06Å; F161-H177 WeakPolarHBondContact CE1-O 3.18Å; F161-H177 HydrophobicContact CE2-CB 4.26Å; F161-H177 HydrophobicContact CG-CB 3.85Å; F161-H177 AromaticContact CG-CD2 3.91Å; F161-H177 AromaticContact CG-CG 3.79Å; F161-H177 HydrophobicContact CZ-CB 4.26Å; H162-H177 PolarHBondContact NE2-O 2.9Å; C167-H177 WeakPolarHBondContact CB-CE1 3.35Å; C167-H177 WeakPolarHBondContact CB-NE2 3.36Å; C167-H177 PolarHBondContact SG-CE1 2.81Å; C167-H177 PolarHBondContact SG-NE2 2.73Å; G170-H177 PolarHBondContact O-CE1 2.89Å; C173-H177 VanDerWaalsContact CB-CE1 3.48Å; C173-H177 WeakPolarHBondContact CB-CE1 3.21Å; C173-H177 WeakPolarHBondContact CB-NE2 3.48Å; C173-H177 PolarHBondContact SG-NE2 2.75Å; C173-H177 VanDerWaalsContact SG-NE2 3.44Å; H177-E181 PolarHBondContact N-OE2 3.16Å |
| 178 | N | 81.2 | Confident | 77.8 | Confident | 87 Ų | 87 | 80.5 Ų | 80.5 | 47% | 0.465 | 43% | 0.433 | S | S | . | . | | | trans | -125.3 | 150.5 | -175.1 | -157.6 | -2.2 | 0 | 0 | 0 | 111.9 | I176 E180 E181 R182 | I176-N178 VanDerWaalsContact CG2-O 3.32Å; I176-N178 WeakPolarHBondContact CG2-O 3.39Å; N178-E180 PolarHBondContact O-N 3.44Å; N178-E181 HydrophobicContact CB-CG 4.22Å; N178-E181 WeakPolarHBondContact O-CB 3.36Å; N178-E181 PolarHBondContact O-N 3.08Å; N178-R182 PolarHBondContact O-N 2.8Å |
| 179 | A | 67.1 | Low | 75.9 | Confident | 63 Ų | 63 | 84 Ų | 84 | 52% | 0.521 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61 | -26.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R182 R183 | A179-R182 PolarHBondContact O-N 3.42Å; A179-R183 PolarHBondContact O-N 3.5Å |
| 180 | E | 69.2 | Low | 73.9 | Confident | 117 Ų | 117 | 82.6 Ų | 82.6 | 55% | 0.547 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 170.2 | -152 | 104.6 | -96.7 | 0 | 0 | 112.5 | N178 R182 R183 A184 | N178-E180 PolarHBondContact O-N 3.44Å; E180-R182 VanDerWaalsContact C-N 3.27Å; E180-R182 PolarHBondContact O-N 3.49Å; E180-R183 PolarHBondContact O-N 2.88Å; E180-R183 VanDerWaalsContact O-N 3.09Å; E180-R183 IonicContact OE1-CZ 3.9Å; E180-R183 IonicContact OE1-NH2 2.69Å; E180-R183 PolarHBondContact OE1-NH2 3.18Å; E180-A184 PolarHBondContact O-N 2.83Å |
| 181 | E | 69.2 | Low | 72.3 | Confident | 53 Ų | 53 | 89.3 Ų | 89.3 | 25% | 0.248 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63.7 | -35.8 | 179.4 | -55.7 | -170.1 | 131.4 | 0 | 0 | 111.5 | K154 I176 H177 N178 R183 A184 L185 | K154-E181 IonicContact NZ-OE1 2.73Å; K154-E181 PolarHBondContact NZ-OE1 3.49Å; K154-E181 IonicContact NZ-OE2 2.81Å; K154-E181 PolarHBondContact NZ-OE2 3.17Å; I176-E181 HydrophobicContact CG2-CB 4.46Å; H177-E181 PolarHBondContact N-OE2 3.16Å; N178-E181 HydrophobicContact CB-CG 4.22Å; N178-E181 WeakPolarHBondContact O-CB 3.36Å; N178-E181 PolarHBondContact O-N 3.08Å; E181-R183 VanDerWaalsContact C-N 3.32Å; E181-R183 PolarHBondContact O-N 3Å; E181-A184 PolarHBondContact O-N 3.43Å; E181-L185 WeakPolarHBondContact O-CG 3.46Å; E181-L185 PolarHBondContact O-N 3.08Å; E181-L185 VanDerWaalsContact O-N 3.11Å |
| 182 | R | 65.8 | Low | 70.5 | Confident | 134 Ų | 134 | 89.6 Ų | 89.6 | 51% | 0.506 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 174.6 | 176 | 176.3 | -81.3 | -147.3 | -9.7 | 111.5 | L157 I176 N178 A179 E180 A186 | L157-R182 VanDerWaalsContact CD1-NH2 3.29Å; I176-R182 HydrophobicContact CD1-CB 4.34Å; I176-R182 HydrophobicContact CD1-CG 4.5Å; I176-R182 HydrophobicContact CG2-CB 4.21Å; N178-R182 PolarHBondContact O-N 2.8Å; A179-R182 PolarHBondContact O-N 3.42Å; E180-R182 VanDerWaalsContact C-N 3.27Å; E180-R182 PolarHBondContact O-N 3.49Å; R182-A186 PolarHBondContact O-N 2.96Å |
| 183 | R | 63.4 | Low | 68.8 | Low | 169 Ų | 169 | 84.6 Ų | 84.6 | 64% | 0.638 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.9 | -42.6 | 176.5 | -70.2 | -173.3 | -68.5 | 174.6 | 0.8 | 112.1 | A179 E180 E181 L185 A186 G187 | A179-R183 PolarHBondContact O-N 3.5Å; E180-R183 PolarHBondContact O-N 2.88Å; E180-R183 VanDerWaalsContact O-N 3.09Å; E180-R183 IonicContact OE1-CZ 3.9Å; E180-R183 IonicContact OE1-NH2 2.69Å; E180-R183 PolarHBondContact OE1-NH2 3.18Å; E181-R183 VanDerWaalsContact C-N 3.32Å; E181-R183 PolarHBondContact O-N 3Å; R183-L185 VanDerWaalsContact C-N 3.3Å; R183-L185 PolarHBondContact O-N 3.27Å; R183-A186 WeakPolarHBondContact O-CB 3.4Å; R183-A186 PolarHBondContact O-N 3.31Å; R183-G187 PolarHBondContact O-N 3.42Å |
| 184 | A | 66.2 | Low | 66.8 | Low | 68 Ų | 68 | 91.6 Ų | 91.6 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.6 | -39.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E180 E181 A188 | E180-A184 PolarHBondContact O-N 2.83Å; E181-A184 PolarHBondContact O-N 3.43Å; A184-A188 PolarHBondContact O-N 3.44Å |
| 185 | L | 63.3 | Low | 65 | Low | 66 Ų | 66 | 96.4 Ų | 96.4 | 35% | 0.346 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.7 | -22.8 | 176.3 | -69 | 170.9 | 0 | 0 | 0 | 114 | K154 E181 R183 | K154-L185 HydrophobicContact CB-CD1 3.44Å; K154-L185 VanDerWaalsContact CB-CD1 3.44Å; K154-L185 HydrophobicContact CD-CD1 3.92Å; K154-L185 HydrophobicContact CG-CD1 4.29Å; E181-L185 WeakPolarHBondContact O-CG 3.46Å; E181-L185 PolarHBondContact O-N 3.08Å; E181-L185 VanDerWaalsContact O-N 3.11Å; R183-L185 VanDerWaalsContact C-N 3.3Å; R183-L185 PolarHBondContact O-N 3.27Å |
| 186 | A | 61.4 | Low | 63.1 | Low | 61 Ų | 61 | 97.2 Ų | 97.2 | 50% | 0.504 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -77 | -47.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R182 R183 A188 R189 | R182-A186 PolarHBondContact O-N 2.96Å; R183-A186 WeakPolarHBondContact O-CB 3.4Å; R183-A186 PolarHBondContact O-N 3.31Å; A186-A188 VanDerWaalsContact C-N 3.29Å; A186-A188 PolarHBondContact O-N 3.24Å; A186-R189 WeakPolarHBondContact O-CB 3.49Å; A186-R189 PolarHBondContact O-N 3.07Å |
| 187 | G | 56.7 | Low | 61.3 | Low | 40 Ų | 40 | 108 Ų | 108 | 41% | 0.412 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.5 | -33.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R183 R189 D190 L191 | R183-G187 PolarHBondContact O-N 3.42Å; G187-R189 PolarHBondContact O-N 3.49Å; G187-D190 PolarHBondContact O-N 3.11Å; G187-L191 PolarHBondContact O-N 2.93Å |
| 188 | A | 57.8 | Low | 59.5 | Low | 68 Ų | 68 | 114 Ų | 114 | 56% | 0.562 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.5 | -14 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A184 A186 | A184-A188 PolarHBondContact O-N 3.44Å; A186-A188 VanDerWaalsContact C-N 3.29Å; A186-A188 PolarHBondContact O-N 3.24Å |
| 189 | R | 53.1 | Low | 58.1 | Low | 163 Ų | 163 | 117.9 Ų | 117.9 | 62% | 0.615 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -91.8 | -26 | 176.9 | -67 | -176.8 | 170.3 | -170.5 | -2.8 | 112.9 | A186 G187 A193 | A186-R189 WeakPolarHBondContact O-CB 3.49Å; A186-R189 PolarHBondContact O-N 3.07Å; G187-R189 PolarHBondContact O-N 3.49Å; R189-A193 WeakPolarHBondContact O-CB 3.1Å |
| 190 | D | 50.8 | Low | 57.3 | Low | 129 Ų | 129 | 122.6 Ų | 122.6 | 69% | 0.69 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77 | -39.7 | 180 | -126.6 | 5.7 | 0 | 0 | 0 | 111.5 | G187 S192 A193 | G187-D190 PolarHBondContact O-N 3.11Å; D190-S192 PolarHBondContact O-N 3.01Å; D190-S192 VanDerWaalsContact O-N 3.14Å; D190-A193 PolarHBondContact O-N 3.45Å |
| 191 | L | 56.7 | Low | 56.5 | Low | 165 Ų | 165 | 122 Ų | 122 | 86% | 0.864 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -8.4 | 177.8 | -65.7 | 176.1 | 0 | 0 | 0 | 114.6 | G187 | G187-L191 PolarHBondContact O-N 2.93Š|
| 192 | S | 51.4 | Low | 55.8 | Low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 7 | 171.3 | -167.6 | 0 | 0 | 0 | 0 | 112.4 | D190 | D190-S192 PolarHBondContact O-N 3.01Å; D190-S192 VanDerWaalsContact O-N 3.14Å |
| 193 | A | 51.6 | Low | 55.5 | Low | 54 Ų | 54 | 128 Ų | 128 | 45% | 0.446 | 68% | 0.681 | S | S | . | * | | | trans | -116.2 | 50.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | R189 D190 R195 | R189-A193 WeakPolarHBondContact O-CB 3.1Å; D190-A193 PolarHBondContact O-N 3.45Å; A193-R195 PolarHBondContact O-N 3.16Å |
| 194 | D | 51.4 | Low | 54.7 | Low | 152 Ų | 152 | 130.2 Ų | 130.2 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | | | trans | -68.2 | 69.9 | 153.1 | -159.3 | -22.3 | 0 | 0 | 0 | 108.3 | P196 | D194-P196 WeakPolarHBondContact O-CD 3.49Š|
| 195 | R | 52.6 | Low | 54.3 | Low | 219 Ų | 219 | 131.2 Ų | 131.2 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | | | trans | -76.9 | 108.8 | 172.4 | 178.9 | -179.1 | -179.6 | -172.3 | -0.2 | 104 | A193 R197 | A193-R195 PolarHBondContact O-N 3.16Å; R195-R197 PolarHBondContact O-N 3.08Å |
| 196 | P | 54.4 | Low | 53.1 | Low | 106 Ų | 106 | 131 Ų | 131 | 69% | 0.688 | 72% | 0.717 | S | S | * | * | | | trans | -54.7 | 120.6 | -174.7 | 20.8 | -32.4 | 0 | 0 | 0 | 108.4 | D194 L198 | D194-P196 WeakPolarHBondContact O-CD 3.49Å; P196-L198 VanDerWaalsContact C-N 3.33Å; P196-L198 PolarHBondContact O-N 2.94Å |
| 197 | R | 52.7 | Low | 52 | Low | 231 Ų | 231 | 137.8 Ų | 137.8 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | | | trans | -60.7 | 103.6 | 172.8 | -89.5 | -157.7 | 74.2 | -179.9 | 3.9 | 106.5 | R195 Q199 | R195-R197 PolarHBondContact O-N 3.08Å; R197-Q199 PolarHBondContact O-N 3.29Å |
| 198 | L | 54.1 | Low | 51.8 | Low | 141 Ų | 141 | 141.5 Ų | 141.5 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | -64.8 | 94.1 | 170.2 | -156 | 154.6 | 0 | 0 | 0 | 106.1 | P196 H200 | P196-L198 VanDerWaalsContact C-N 3.33Å; P196-L198 PolarHBondContact O-N 2.94Å; L198-H200 PolarHBondContact O-N 2.82Å; L198-H200 VanDerWaalsContact O-N 3.1Å |
| 199 | Q | 51.3 | Low | 50.9 | Low | 167 Ų | 167 | 144.4 Ų | 144.4 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | trans | -58.3 | 115.5 | 168.4 | -74.3 | -173.4 | -30.3 | 0 | 0 | 105.5 | R197 S201 | R197-Q199 PolarHBondContact O-N 3.29Å; Q199-S201 PolarHBondContact O-N 3.09Å |
| 200 | H | 50.7 | Low | 50.4 | Low | 162 Ų | 162 | 141.3 Ų | 141.3 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | | | trans | -64.8 | 90.6 | 166.3 | -96 | -101 | 0 | 0 | 0 | 107.2 | L198 F202 | L198-H200 PolarHBondContact O-N 2.82Å; L198-H200 VanDerWaalsContact O-N 3.1Å; H200-F202 PolarHBondContact O-N 3.47Å |
| 201 | S | 52.8 | Low | 49.8 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -58.3 | 121.9 | 170.3 | 52.2 | 0 | 0 | 0 | 0 | 108.4 | Q199 | Q199-S201 PolarHBondContact O-N 3.09Š|
| 202 | F | 53.1 | Low | 49 | Very low | 191 Ų | 191 | 137 Ų | 137 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -60.2 | 150.3 | -179.8 | -42.9 | -87.2 | 0 | 0 | 0 | 111.5 | H200 | H200-F202 PolarHBondContact O-N 3.47Š|
| 203 | S | 59.9 | Low | 48.3 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | 79.6 | 112.3 | 162.4 | -49.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 204 | F | 46.6 | Very low | 47.6 | Very low | 214 Ų | 214 | 141 Ų | 141 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | | | | -149.1 | 147.6 | 129.8 | -163.2 | -109.3 | 0 | 0 | 0 | 111.9 | | |
| 205 | A | 57.3 | Low | 46.9 | Very low | 90 Ų | 90 | 138.6 Ų | 138.6 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | | | trans | -83.8 | 164.6 | -150.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 206 | G | 37.9 | Very low | 46.2 | Very low | 60 Ų | 60 | 132.7 Ų | 132.7 | 62% | 0.619 | 81% | 0.808 | S | S | * | * | | | trans | 173.9 | 123.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 207 | F | 39.6 | Very low | 45.6 | Very low | 205 Ų | 205 | 134.5 Ų | 134.5 | 90% | 0.899 | 82% | 0.818 | S | S | * | * | | | cis | -145.2 | 159.3 | 24 | -60.8 | -97.7 | 0 | 0 | 0 | 111.3 | | |
| 208 | P | 52.8 | Low | 44.8 | Very low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | | | trans | -88.7 | 142.4 | 162.7 | 35.1 | -30.2 | 0 | 0 | 0 | 111.3 | | |
| 209 | S | 39 | Very low | 44.1 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | | | trans | -145.5 | 130.5 | 152.3 | -84.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 210 | A | 40.8 | Very low | 44 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | | | trans | -89.2 | 147.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 211 | A | 38.6 | Very low | 43.4 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | 20.9 | 109.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 212 | A | 40.4 | Very low | 43 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | | | trans | -121.5 | 127.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 213 | T | 37.3 | Very low | 43.1 | Very low | 142 Ų | 142 | 123.1 Ų | 123.1 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | | | trans | -83 | 132.9 | -172.4 | 48.2 | 0 | 0 | 0 | 0 | 113 | | |
| 214 | A | 36.5 | Very low | 42.1 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | trans | -161.2 | 149.8 | 146.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 215 | A | 36.7 | Very low | 41.9 | Very low | 102 Ų | 102 | 119 Ų | 119 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -91.7 | 147.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 216 | A | 37.6 | Very low | 41.1 | Very low | 95 Ų | 95 | 122 Ų | 122 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | | 178.6 | 147.7 | 127.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 217 | T | 41.5 | Very low | 41.2 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | | | trans | -31.5 | 145.5 | 165.5 | 51 | 0 | 0 | 0 | 0 | 119 | | |
| 218 | G | 36 | Very low | 41.7 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | trans | 131.9 | 111.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 219 | L | 40.3 | Very low | 41.6 | Very low | 153 Ų | 153 | 120.9 Ų | 120.9 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | | | | 75.7 | 87.7 | 52.5 | -158.2 | 151.2 | 0 | 0 | 0 | 112.4 | | |
| 220 | L | 48.9 | Very low | 42.2 | Very low | 157 Ų | 157 | 121 Ų | 121 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | 68.9 | 150.9 | 153 | -43.2 | 178.9 | 0 | 0 | 0 | 121.2 | | |
| 221 | D | 37.1 | Very low | 42.1 | Very low | 152 Ų | 152 | 124.1 Ų | 124.1 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | 88.2 | 157 | 149.4 | -143.9 | -170.6 | 0 | 0 | 0 | 120.4 | | |
| 222 | S | 45.8 | Very low | 42.1 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | | | trans | -89.1 | 148.5 | -157.2 | -40.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 223 | P | 53.7 | Low | 42 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | -95.5 | 108.4 | 164.7 | 32.6 | -27.8 | 0 | 0 | 0 | 111.4 | | |
| 224 | T | 39.2 | Very low | 41.9 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | | | trans | -85.4 | 139 | 159.1 | 40.4 | 0 | 0 | 0 | 0 | 111 | | |
| 225 | S | 43.9 | Very low | 42.1 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | | | trans | 44.4 | 120.8 | 150 | -155.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 226 | I | 39.3 | Very low | 42.1 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | -151.7 | 136 | 163.4 | -57.9 | -175.9 | 0 | 0 | 0 | 105.3 | | |
| 227 | T | 39.4 | Very low | 42.2 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | cis | -146 | 170.5 | 6.6 | 12 | 0 | 0 | 0 | 0 | 110.3 | | |
| 228 | P | 51.7 | Low | 42.2 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 170 | -169.7 | 39.5 | -36.6 | 0 | 0 | 0 | 116.1 | | |
| 229 | P | 49 | Very low | 42.1 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 161.5 | 165.3 | 36.3 | -33.9 | 0 | 0 | 0 | 113.1 | | |
| 230 | P | 52.8 | Low | 41.8 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 156.6 | -169.3 | 33.4 | -36.7 | 0 | 0 | 0 | 115.6 | | |
| 231 | I | 38.3 | Very low | 42 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 142.3 | 173.8 | 16.2 | 174 | 0 | 0 | 0 | 110.9 | | |
| 232 | L | 39.6 | Very low | 41.9 | Very low | 177 Ų | 177 | 129.2 Ų | 129.2 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | | | trans | -120.6 | 130.5 | 161.8 | -71.9 | 178.1 | 0 | 0 | 0 | 109 | | |
| 233 | S | 36.6 | Very low | 41.6 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | trans | -80.3 | 149.8 | -170.2 | -49.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 234 | A | 36 | Very low | 41.6 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | trans | -110.4 | 134.6 | 156 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 235 | D | 40.7 | Very low | 41.3 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | | | | -170.1 | -176.6 | 109.6 | -130 | -70.2 | 0 | 0 | 0 | 110.5 | | |
| 236 | D | 36.3 | Very low | 40.8 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | | | trans | 74.9 | 131.4 | -179.5 | -68.3 | -48.5 | 0 | 0 | 0 | 118.3 | | |
| 237 | L | 41.2 | Very low | 41.1 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 67% | 0.665 | 80% | 0.802 | S | S | * | * | | | cis | -167.6 | 146.2 | -35 | -120.2 | -172.3 | 0 | 0 | 0 | 107.7 | | |
| 238 | L | 41.4 | Very low | 41.2 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | 62.2 | 119.5 | 162.9 | -51 | 176.5 | 0 | 0 | 0 | 119.9 | | |
| 239 | G | 32.8 | Very low | 41 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | | | trans | 157.2 | 76.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 240 | S | 33.9 | Very low | 40.9 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -96.1 | 165.8 | 156.9 | -68.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 241 | P | 53.6 | Low | 40.5 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | cis | -135.6 | 165.6 | 7.3 | 41 | -24.9 | 0 | 0 | 0 | 116.1 | | |
| 242 | T | 34.5 | Very low | 40.7 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | | | | -177.8 | 156.1 | 126.3 | 20.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 243 | L | 40.5 | Very low | 40.5 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -92.5 | -177.4 | -177.1 | -74.9 | 172.4 | 0 | 0 | 0 | 112.2 | | |
| 244 | P | 53.8 | Low | 40.8 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 63% | 0.63 | 80% | 0.801 | S | S | * | * | | | cis | -133.2 | -155.8 | -32.9 | 32.9 | -11.2 | 0 | 0 | 0 | 112.2 | | |
| 245 | D | 32.3 | Very low | 41.2 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | 74.7 | 137.3 | 165.7 | -56.2 | -22.6 | 0 | 0 | 0 | 117.2 | | |
| 246 | G | 33.5 | Very low | 41.4 | Very low | 65 Ų | 65 | 134.8 Ų | 134.8 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | cis | 154.9 | 114.8 | -4.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 247 | T | 44.3 | Very low | 41.7 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | | | trans | -170.9 | 120.7 | 161.4 | 7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 248 | N | 42.1 | Very low | 41.9 | Very low | 163 Ų | 163 | 139 Ų | 139 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | | | trans | -83.3 | 133.8 | 176.7 | -72.5 | -72.4 | 0 | 0 | 0 | 111 | | |
| 249 | N | 47.4 | Very low | 42.1 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | | | trans | -108 | 114.7 | 165.7 | -108.8 | -18.6 | 0 | 0 | 0 | 109.3 | F251 | N249-F251 VanDerWaalsContact C-N 3.32Å; N249-F251 PolarHBondContact O-N 2.86Å; N249-F251 VanDerWaalsContact O-N 3.08Å |
| 250 | P | 47 | Very low | 42.5 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | | | trans | -88.8 | 38 | -161.7 | 36.7 | -39.1 | 0 | 0 | 0 | 115 | | |
| 251 | F | 45.6 | Very low | 43.1 | Very low | 202 Ų | 202 | 139.4 Ų | 139.4 | 89% | 0.886 | 81% | 0.806 | S | S | * | * | | | trans | -136.3 | 69.6 | 179.5 | -72.9 | -76.3 | 0 | 0 | 0 | 112.8 | N249 | N249-F251 VanDerWaalsContact C-N 3.32Å; N249-F251 PolarHBondContact O-N 2.86Å; N249-F251 VanDerWaalsContact O-N 3.08Å |
| 252 | A | 41.5 | Very low | 42.3 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | | | trans | -141.4 | 97.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 253 | F | 35.3 | Very low | 42.4 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | | | trans | -84.1 | 114.5 | 173.9 | -166.9 | -88.3 | 0 | 0 | 0 | 108.3 | S255 | F253-S255 WeakPolarHBondContact CE1-OG 3.35Š|
| 254 | S | 42.4 | Very low | 42.8 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | -111.4 | 122.6 | 178.3 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | Q256 | S254-Q256 PolarHBondContact O-N 3.3Š|
| 255 | S | 45.3 | Very low | 41.9 | Very low | 88 Ų | 88 | 139.7 Ų | 139.7 | 62% | 0.615 | 81% | 0.809 | S | S | * | * | | | trans | -99.9 | 75 | -170.4 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | F253 | F253-S255 WeakPolarHBondContact CE1-OG 3.35Š|
| 256 | Q | 44.5 | Very low | 42.2 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -154.2 | 131.8 | 166 | -129.9 | 87.1 | 36.4 | 0 | 0 | 105.5 | S254 | S254-Q256 PolarHBondContact O-N 3.3Š|
| 257 | E | 43.6 | Very low | 42.2 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | | | cis | -133.2 | 152.9 | 26.8 | -61.6 | 171.5 | 98.2 | 0 | 0 | 113.1 | | |
| 258 | L | 43.9 | Very low | 41.9 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 93% | 0.927 | 82% | 0.817 | S | S | * | * | | | trans | -129.9 | 74.6 | 169.3 | -162.5 | 173.1 | 0 | 0 | 0 | 109.1 | | |
| 259 | A | 46.7 | Very low | 42.3 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 66% | 0.661 | 81% | 0.813 | S | S | * | * | | | trans | -177.6 | 94.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 260 | S | 41.4 | Very low | 41.6 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | -177.6 | 41 | 156.9 | -87.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 261 | L | 45.3 | Very low | 40.9 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | | | trans | -141.4 | 61.7 | 169.7 | -74.9 | -178.8 | 0 | 0 | 0 | 112.9 | | |
| 262 | F | 37 | Very low | 40.4 | Very low | 213 Ų | 213 | 130.1 Ų | 130.1 | 93% | 0.934 | 82% | 0.82 | S | S | * | * | | | trans | -125.6 | 78.1 | 167.2 | -83.8 | -76 | 0 | 0 | 0 | 111.4 | | |
| 263 | A | 37 | Very low | 40.5 | Very low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | 49.1 | 178.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 264 | P | 49.4 | Very low | 41.3 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | cis | -130.6 | 177.4 | -11.6 | 37.3 | -19.3 | 0 | 0 | 0 | 115.8 | | |
| 265 | S | 34 | Very low | 41.2 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | | | | 117.3 | 137 | 126.7 | -127.7 | 0 | 0 | 0 | 0 | 122 | | |
| 266 | M | 39 | Very low | 40.9 | Very low | 180 Ų | 180 | 128 Ų | 128 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | | | trans | 70.9 | 123.2 | 157.6 | -47.7 | -49.9 | -83.6 | 0 | 0 | 122.2 | | |
| 267 | G | 33.9 | Very low | 40.7 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | 151.7 | 79.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 268 | L | 36.6 | Very low | 40.6 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | | | trans | -94.2 | 179.9 | 161.7 | -122.9 | 83.3 | 0 | 0 | 0 | 109.2 | | |
| 269 | P | 51.7 | Low | 40.3 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | | | cis | -140.4 | 176.1 | 16.3 | 41.9 | -22.3 | 0 | 0 | 0 | 118.4 | | |
| 270 | G | 31.8 | Very low | 39.8 | Very low | 81 Ų | 81 | 136.1 Ų | 136.1 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | | | trans | 127.1 | 129.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 271 | G | 32.9 | Very low | 40.2 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | | | cis | 173.3 | 136.6 | -6.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 272 | G | 34.2 | Very low | 39.7 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | | | trans | 159.5 | 113.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 273 | S | 44.2 | Very low | 40.1 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -121.1 | -165.3 | -168.2 | -156.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 274 | P | 52.3 | Low | 39.7 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 62% | 0.623 | 81% | 0.813 | S | S | * | * | | | | -126.3 | 172.2 | -97.6 | 41.2 | -26.6 | 0 | 0 | 0 | 113.9 | | |
| 275 | T | 40.8 | Very low | 39.3 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | | | trans | -142 | 139.3 | 150.1 | -39.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 276 | T | 39.3 | Very low | 40.1 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 52% | 0.515 | 81% | 0.81 | S | S | . | * | | | trans | -143.2 | 159.2 | -156.7 | -38.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 277 | F | 39.7 | Very low | 40 | Very low | 183 Ų | 183 | 134.4 Ų | 134.4 | 80% | 0.803 | 80% | 0.804 | S | S | * | * | | | trans | 76.7 | 151.1 | 168 | -43.3 | -69.6 | 0 | 0 | 0 | 115.4 | | |
| 278 | L | 41.6 | Very low | 40.3 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | cis | -137.1 | 152.2 | 17.9 | -76.8 | 161.2 | 0 | 0 | 0 | 113.2 | | |
| 279 | F | 38.4 | Very low | 40.5 | Very low | 209 Ų | 209 | 139.4 Ų | 139.4 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | trans | -92.7 | 139.3 | 153.5 | -79.1 | -92.7 | 0 | 0 | 0 | 109.7 | | |
| 280 | R | 35 | Very low | 39.7 | Very low | 231 Ų | 231 | 140 Ų | 140 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -160.3 | 137.2 | 140.4 | -156.5 | 166.9 | -171.9 | 141.7 | 5.3 | 111.8 | | |
| 281 | P | 50.3 | Low | 40.4 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | | | trans | -89 | 158 | 171.9 | 35.9 | -34.5 | 0 | 0 | 0 | 111.7 | | |
| 282 | M | 34.2 | Very low | 41.6 | Very low | 187 Ų | 187 | 142.9 Ų | 142.9 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -136.5 | 139.3 | 157.6 | -87.5 | -169.4 | 163.1 | 0 | 0 | 111.6 | | |
| 283 | S | 45.2 | Very low | 42.5 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -82.6 | -176.2 | 171.4 | 44.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 284 | E | 29.9 | Very low | 42.8 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | 108.8 | 107.9 | 155.6 | -149.3 | 155.8 | 116.3 | 0 | 0 | 116.8 | | |
| 285 | S | 39.5 | Very low | 42.9 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -83.8 | 157.2 | 154.4 | -126.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 286 | P | 52 | Low | 42.9 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | | | | -160.8 | 173.9 | 63.2 | 44.3 | -23.5 | 0 | 0 | 0 | 120.2 | | |
| 287 | H | 37.6 | Very low | 42.6 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | 71.1 | 130.2 | 146.1 | -75.8 | -58.3 | 0 | 0 | 0 | 124.2 | | |
| 288 | M | 39.7 | Very low | 42.7 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | 69.7 | 107.9 | 133.2 | 78.9 | -156.2 | 173.8 | 0 | 0 | 123.6 | | |
| 289 | F | 39.5 | Very low | 42.6 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | | | | 173.1 | 112.9 | 122.1 | -119.3 | -114.2 | 0 | 0 | 0 | 107.4 | | |
| 290 | D | 35.7 | Very low | 42.8 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | | | | 97.5 | 139.6 | 78.3 | -165.6 | 58.9 | 0 | 0 | 0 | 112 | | |
| 291 | S | 46.6 | Very low | 43.2 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | -120.9 | 128.8 | -168.3 | -63.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 292 | P | 57.1 | Low | 42.7 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 158.4 | 172.1 | 33.7 | -32.1 | 0 | 0 | 0 | 113.1 | | |
| 293 | P | 54.7 | Low | 43.2 | Very low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 171.1 | -154.2 | 39.6 | -37.6 | 0 | 0 | 0 | 116.1 | | |
| 294 | S | 49.3 | Very low | 42.9 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -77 | 149.6 | 167.2 | -43.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 295 | P | 55.1 | Low | 43.6 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 151.2 | 160.8 | 35 | -30 | 0 | 0 | 0 | 112.1 | | |
| 296 | Q | 39.8 | Very low | 43.6 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | trans | -111.3 | 179.9 | 170 | -67.8 | -157.4 | -69.3 | 0 | 0 | 111.5 | | |
| 297 | D | 32.9 | Very low | 43.3 | Very low | 131 Ų | 131 | 142 Ų | 142 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | 92.4 | 102.7 | 157.4 | -87.2 | -86.6 | 0 | 0 | 0 | 121 | | |
| 298 | S | 41.9 | Very low | 43.6 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | | | | 57.3 | 120.5 | 114.1 | -53.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 299 | L | 40.8 | Very low | 43.8 | Very low | 184 Ų | 184 | 138 Ų | 138 | 96% | 0.963 | 80% | 0.796 | S | S | * | * | | | | -143.2 | 149.8 | 125.1 | -81.6 | -169.2 | 0 | 0 | 0 | 111.1 | | |
| 300 | S | 41.6 | Very low | 43.9 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -89.9 | 158.8 | -165.8 | -106.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 301 | D | 43.3 | Very low | 44 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | | | trans | 28.2 | 125.7 | 138.2 | -53 | -73.6 | 0 | 0 | 0 | 120.5 | | |
| 302 | Q | 41.2 | Very low | 44 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | | | trans | -137.7 | 113.5 | 147.5 | -172.6 | 64.9 | 77.5 | 0 | 0 | 110 | | |
| 303 | E | 43.7 | Very low | 43.2 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -70.8 | 145.7 | 177.9 | -52 | 175.8 | 124.6 | 0 | 0 | 111.3 | | |
| 304 | G | 38.8 | Very low | 42.9 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | -156.4 | 89.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 305 | Y | 44.7 | Very low | 42.2 | Very low | 205 Ų | 205 | 135 Ų | 135 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -59.5 | 145.4 | 176.1 | -76 | -109.5 | 0 | 0 | 0 | 112.2 | | |
| 306 | L | 40.4 | Very low | 42.1 | Very low | 168 Ų | 168 | 135 Ų | 135 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | | | | 172.8 | 116 | 114.9 | -90.1 | 170.4 | 0 | 0 | 0 | 111.4 | | |
| 307 | S | 44.5 | Very low | 42 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -80.6 | 139.3 | 164.9 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 308 | S | 44.4 | Very low | 42.7 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -157.1 | 116.4 | 156.5 | -84.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 309 | S | 44.3 | Very low | 43 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | trans | -98.8 | 130.5 | 172.1 | 51 | 0 | 0 | 0 | 0 | 110.4 | | |
| 310 | S | 41.5 | Very low | 43.4 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | -169.9 | 130.3 | 151.6 | 31.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 311 | S | 38.3 | Very low | 43.7 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | | | trans | 67.7 | 98.9 | 130.6 | -52.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 312 | S | 45 | Very low | 43.8 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | | 37.2 | 125 | 115.5 | -51.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 313 | H | 40.7 | Very low | 44.4 | Very low | 184 Ų | 184 | 129.8 Ų | 129.8 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | | | trans | -151 | 120.1 | 132.2 | 39.5 | -82.3 | 0 | 0 | 0 | 110.6 | | |
| 314 | S | 49.2 | Very low | 45.1 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | trans | -86.5 | 122 | 168.5 | -70.7 | 0 | 0 | 0 | 0 | 109 | | |
| 315 | G | 35.1 | Very low | 46 | Very low | 77 Ų | 77 | 133.9 Ų | 133.9 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -118.6 | 104.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 316 | S | 52.3 | Low | 46.6 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | | | trans | -95.5 | 90.1 | 171.1 | 55.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 317 | D | 37.7 | Very low | 47.5 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | -113.4 | 126.5 | 177.1 | -139.2 | -63.7 | 0 | 0 | 0 | 110.5 | | |
| 318 | S | 48.3 | Very low | 48.1 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | | | trans | -101.8 | 128.7 | -178.1 | -64.9 | 0 | 0 | 0 | 0 | 108.8 | T320 | S318-T320 PolarHBondContact O-N 3.34Š|
| 319 | P | 48.1 | Very low | 48.5 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | | | trans | -69 | 109.7 | -175.5 | 27.9 | -33.7 | 0 | 0 | 0 | 110.4 | L321 | P319-L321 PolarHBondContact O-N 2.85Š|
| 320 | T | 49.3 | Very low | 48.7 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | | | trans | -63.4 | 129.2 | 163.7 | 46.9 | 0 | 0 | 0 | 0 | 108.7 | S318 D322 | S318-T320 PolarHBondContact O-N 3.34Å; T320-D322 VanDerWaalsContact C-N 3.35Å; T320-D322 PolarHBondContact O-N 3.39Å |
| 321 | L | 46.4 | Very low | 49.2 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 89% | 0.885 | 74% | 0.744 | S | S | * | * | | | trans | -76.7 | 86.9 | -178 | -74.7 | 170.8 | 0 | 0 | 0 | 110.3 | P319 N323 | P319-L321 PolarHBondContact O-N 2.85Å; L321-N323 PolarHBondContact O-N 3.37Å; L321-N323 VanDerWaalsContact O-N 3.16Å |
| 322 | D | 45 | Very low | 50.1 | Low | 98 Ų | 98 | 135.6 Ų | 135.6 | 52% | 0.524 | 75% | 0.751 | S | S | . | * | | | trans | -56.9 | 116 | 166.1 | -178.3 | -90.6 | 0 | 0 | 0 | 109.7 | T320 S324 | T320-D322 VanDerWaalsContact C-N 3.35Å; T320-D322 PolarHBondContact O-N 3.39Å; D322-S324 PolarHBondContact O-N 2.8Å; D322-S324 VanDerWaalsContact O-N 3.16Å; D322-S324 WeakPolarHBondContact OD1-CB 3.02Å; D322-S324 PolarHBondContact OD1-N 3.09Å; D322-S324 VanDerWaalsContact OD1-N 3.09Å; D322-S324 PolarHBondContact OD1-OG 3.16Å; D322-S324 PolarHBondContact OD2-OG 3.45Å |
| 323 | N | 55.2 | Low | 50.4 | Low | 132 Ų | 132 | 137.8 Ų | 137.8 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -79.3 | 4.3 | -170.8 | -151.9 | 39.8 | 0 | 0 | 0 | 112.9 | L321 | L321-N323 PolarHBondContact O-N 3.37Å; L321-N323 VanDerWaalsContact O-N 3.16Å |
| 324 | S | 57.6 | Low | 51 | Low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -87.7 | -1.7 | -172 | -32.4 | 0 | 0 | 0 | 0 | 113.9 | D322 | D322-S324 PolarHBondContact O-N 2.8Å; D322-S324 VanDerWaalsContact O-N 3.16Å; D322-S324 WeakPolarHBondContact OD1-CB 3.02Å; D322-S324 PolarHBondContact OD1-N 3.09Å; D322-S324 VanDerWaalsContact OD1-N 3.09Å; D322-S324 PolarHBondContact OD1-OG 3.16Å; D322-S324 PolarHBondContact OD2-OG 3.45Å |
| 325 | R | 58.5 | Low | 50.9 | Low | 223 Ų | 223 | 135.8 Ų | 135.8 | 84% | 0.842 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -125 | 27.6 | -175.3 | -54 | -175 | -161.5 | -97.4 | -0.7 | 114.1 | | |
| 326 | R | 57.3 | Low | 51.5 | Low | 162 Ų | 162 | 137.6 Ų | 137.6 | 61% | 0.611 | 75% | 0.746 | S | S | * | * | | | trans | -78.6 | 131.5 | 172.1 | -105.2 | -178.5 | 176.6 | -126.7 | -3.9 | 111.5 | | |
| 327 | L | 58.8 | Low | 51.4 | Low | 125 Ų | 125 | 139.8 Ų | 139.8 | 65% | 0.654 | 75% | 0.748 | S | S | * | * | | | trans | -62.5 | 143.7 | 170.9 | -65.9 | 171 | 0 | 0 | 0 | 110.3 | I329 F330 | L327-I329 PolarHBondContact O-N 2.95Å; L327-F330 PolarHBondContact O-N 3.04Å |
| 328 | P | 56.5 | Low | 51.9 | Low | 113 Ų | 113 | 143.4 Ų | 143.4 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -66.2 | 0.5 | -170.1 | 26.1 | -35.9 | 0 | 0 | 0 | 115.6 | | |
| 329 | I | 53 | Low | 52 | Low | 135 Ų | 135 | 145.8 Ų | 145.8 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -76.8 | -23.4 | -179.1 | -57.3 | 173.9 | 0 | 0 | 0 | 111.7 | L327 | L327-I329 PolarHBondContact O-N 2.95Š|
| 330 | F | 49.3 | Very low | 52.2 | Low | 134 Ų | 134 | 147 Ų | 147 | 59% | 0.588 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -108.4 | 21.2 | -173 | -64.6 | -76.2 | 0 | 0 | 0 | 115.3 | L327 | L327-F330 PolarHBondContact O-N 3.04Š|
| 331 | S | 51.6 | Low | 52.4 | Low | 84 Ų | 84 | 147.8 Ų | 147.8 | 59% | 0.587 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -96.6 | 20.2 | -179 | -50.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 332 | R | 56.6 | Low | 52.8 | Low | 228 Ų | 228 | 146.6 Ų | 146.6 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -128.9 | 20.4 | -170.1 | -81.9 | -76.9 | 151.5 | 128.5 | -7 | 115.1 | | |
| 333 | L | 51.9 | Low | 53.2 | Low | 166 Ų | 166 | 149.6 Ų | 149.6 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | -129.7 | 22.6 | 175.3 | -70.3 | 175.8 | 0 | 0 | 0 | 113.7 | | |
| 334 | S | 52.6 | Low | 53.1 | Low | 120 Ų | 120 | 150.8 Ų | 150.8 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | -97.8 | 83.5 | 161.4 | -60.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 335 | I | 47.4 | Very low | 52.8 | Low | 155 Ų | 155 | 154.4 Ų | 154.4 | 80% | 0.795 | 79% | 0.787 | S | S | * | * | | | trans | -94.9 | 129 | 158.5 | 61.6 | 99.9 | 0 | 0 | 0 | 106.6 | | |
| 336 | S | 47.5 | Very low | 52.4 | Low | 114 Ų | 114 | 149.2 Ų | 149.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -75.3 | 150.6 | 176.4 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 337 | D | 51.6 | Low | 52 | Low | 171 Ų | 171 | 148.1 Ų | 148.1 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | | | trans | -87.4 | 111.7 | 168.3 | -161.5 | -116.7 | 0 | 0 | 0 | 107.6 | | |
| 338 | D | 46.7 | Very low | 51.3 | Low | 232 Ų | 232 | 150.2 Ų | 150.2 | 100% | 1.241 | 81% | 0.811 | S | S | * | * | | | trans | -158.4 | 0 | 163.5 | -163.7 | -113.5 | 0 | 0 | 0 | 108.4 | | |