| 1 | M | 41.1 | Very low | 45.6 | Very low | 250 Ų | 250 | 153.9 Ų | 153.9 | 100% | 1.232 | 84% | 0.84 | S | S | * | * | | | | 0 | 99.9 | 0 | -80.2 | 179.3 | 164.4 | 0 | 0 | 107.8 | | |
| 2 | A | 48.3 | Very low | 45.8 | Very low | 100 Ų | 100 | 151.1 Ų | 151.1 | 83% | 0.826 | 84% | 0.84 | S | S | * | * | | | trans | -161.9 | 110.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 3 | T | 37.7 | Very low | 45.7 | Very low | 142 Ų | 142 | 149.4 Ų | 149.4 | 87% | 0.871 | 84% | 0.837 | S | S | * | * | | | trans | -101.7 | 117.6 | 171.9 | -37.8 | 0 | 0 | 0 | 0 | 105.7 | | |
| 4 | V | 47.8 | Very low | 45.7 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 82% | 0.824 | 84% | 0.839 | S | S | * | * | | | trans | -144.3 | 126 | 164.1 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 5 | T | 52.2 | Low | 45.4 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 76% | 0.761 | 84% | 0.835 | S | S | * | * | | | trans | -62.2 | 162.9 | -174.8 | 21.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 6 | P | 42.4 | Very low | 45.3 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | | | trans | -79.5 | 138.8 | 179.2 | 33.4 | -30.8 | 0 | 0 | 0 | 111.1 | | |
| 7 | S | 47.6 | Very low | 45.5 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | -104.7 | 155.1 | 176.7 | -164.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 8 | S | 42.8 | Very low | 45.4 | Very low | 78 Ų | 78 | 143.2 Ų | 143.2 | 55% | 0.545 | 82% | 0.82 | S | S | . | * | | | trans | -95 | 173.6 | -149.5 | 61 | 0 | 0 | 0 | 0 | 116.3 | | |
| 9 | R | 46.2 | Very low | 45.9 | Very low | 204 Ų | 204 | 145.2 Ų | 145.2 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | | | trans | 79.9 | 119.3 | 154.1 | -63.4 | 173.9 | -159.6 | -148.1 | 1.4 | 115.4 | | |
| 10 | Y | 50.8 | Low | 45.7 | Very low | 237 Ų | 237 | 146.4 Ų | 146.4 | 93% | 0.929 | 82% | 0.824 | S | S | * | * | | | | -148.9 | 111.4 | 111.3 | -48.5 | -74.3 | 0 | 0 | 0 | 108.4 | | |
| 11 | E | 44.6 | Very low | 46.1 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | | | trans | -73.3 | 142.7 | 161.4 | -75.6 | 170.7 | 113.2 | 0 | 0 | 108.9 | | |
| 12 | S | 48.7 | Very low | 46.1 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | -153.4 | 95.6 | 152.4 | -84 | 0 | 0 | 0 | 0 | 109 | | |
| 13 | T | 43.6 | Very low | 46.6 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -64.9 | 125.5 | 159.2 | 45.3 | 0 | 0 | 0 | 0 | 110 | | |
| 14 | I | 46.1 | Very low | 46.9 | Very low | 171 Ų | 171 | 149 Ų | 149 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | | | trans | -139.7 | 125.7 | 148.4 | -51.3 | 177.6 | 0 | 0 | 0 | 107.7 | | |
| 15 | S | 41.1 | Very low | 47 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -103 | 160.4 | -173.9 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 16 | S | 43.4 | Very low | 46.7 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | | | trans | 111.8 | 137.2 | 144.8 | 115.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 17 | S | 48.9 | Very low | 47.6 | Very low | 100 Ų | 100 | 147.7 Ų | 147.7 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | 89.6 | 100.6 | 153 | -50.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 18 | D | 44 | Very low | 47.5 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | | 44.9 | 115.1 | 82.4 | -89 | -46.8 | 0 | 0 | 0 | 111.7 | | |
| 19 | E | 54.1 | Low | 47.6 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | | | | -177.3 | 121.7 | 117.9 | -73.9 | -124.6 | 112.9 | 0 | 0 | 109 | | |
| 20 | L | 42.3 | Very low | 47.3 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | | | trans | -69.8 | 119.1 | 165.2 | -70 | 159.7 | 0 | 0 | 0 | 107.4 | | |
| 21 | S | 54.3 | Low | 47.2 | Very low | 83 Ų | 83 | 146.3 Ų | 146.3 | 58% | 0.58 | 80% | 0.803 | S | S | * | * | | | trans | -125 | 96.8 | 167.3 | -63.4 | 0 | 0 | 0 | 0 | 109.2 | W23 | S21-W23 PolarHBondContact O-NE1 2.89Š|
| 22 | E | 41.7 | Very low | 47.6 | Very low | 182 Ų | 182 | 143 Ų | 143 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | | 27 | 103.4 | 120.6 | -56.4 | -178.7 | 145.8 | 0 | 0 | 115.7 | | |
| 23 | W | 58.6 | Low | 47.2 | Very low | 238 Ų | 238 | 146.5 Ų | 146.5 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -126.2 | 71.1 | 155.8 | -67 | 74.9 | 0 | 0 | 0 | 107.9 | S21 | S21-W23 PolarHBondContact O-NE1 2.89Š|
| 24 | E | 43.2 | Very low | 47.6 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | | | trans | -71.5 | 119.2 | 148.6 | -73.8 | -158.4 | 115.1 | 0 | 0 | 107.6 | | |
| 25 | S | 51.2 | Low | 47.5 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -160.4 | 85.5 | 161.8 | -77.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 26 | S | 45.5 | Very low | 47.6 | Very low | 124 Ų | 124 | 152.6 Ų | 152.6 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 130.2 | 154.8 | -65.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 27 | P | 61.4 | Low | 47.7 | Very low | 128 Ų | 128 | 152.5 Ų | 152.5 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 119.2 | 157.3 | 28.2 | -18.4 | 0 | 0 | 0 | 109.5 | | |
| 28 | N | 45.9 | Very low | 47.5 | Very low | 133 Ų | 133 | 154.4 Ų | 154.4 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70 | 138.4 | 166.8 | -159.5 | 55 | 0 | 0 | 0 | 109.7 | | |
| 29 | E | 43.2 | Very low | 47.7 | Very low | 162 Ų | 162 | 152.5 Ų | 152.5 | 76% | 0.757 | 82% | 0.816 | S | S | * | * | | | trans | 47.3 | 152.9 | 147.4 | -64.4 | -167.1 | 133 | 0 | 0 | 123 | | |
| 30 | E | 41.5 | Very low | 47.2 | Very low | 184 Ų | 184 | 150.2 Ų | 150.2 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | 91 | 98.1 | 171.7 | -49.7 | -153.7 | 119.5 | 0 | 0 | 116.4 | | |
| 31 | T | 47.1 | Very low | 47.1 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | trans | -171.8 | 95.1 | 142.2 | 16.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 32 | S | 54.2 | Low | 46.4 | Very low | 102 Ų | 102 | 148.8 Ų | 148.8 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | | | | 76 | 93.3 | 105.7 | 66.3 | 0 | 0 | 0 | 0 | 112.2 | E34 | S32-E34 PolarHBondContact O-N 3.3Š|
| 33 | E | 39.7 | Very low | 46.5 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | | | trans | -49.1 | 115.7 | 157.3 | -48 | -178.7 | 136.9 | 0 | 0 | 108.2 | | |
| 34 | E | 53 | Low | 45.7 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | | | trans | -153.7 | 147.2 | 151.4 | -76.9 | -138.7 | 172.6 | 0 | 0 | 110.1 | S32 | S32-E34 PolarHBondContact O-N 3.3Š|
| 35 | E | 43.9 | Very low | 45.4 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | -69.2 | 143.3 | -160.9 | -44.1 | -168.5 | 119.8 | 0 | 0 | 112.9 | | |
| 36 | D | 42.9 | Very low | 45.1 | Very low | 159 Ų | 159 | 144 Ų | 144 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | | | trans | -154.7 | 135 | 139.4 | -142.2 | -12.7 | 0 | 0 | 0 | 113.8 | | |
| 37 | S | 44.9 | Very low | 44.8 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | | | trans | -80.1 | 119.1 | -166.1 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | S39 | S37-S39 PolarHBondContact O-N 3.49Å; S37-S39 VanDerWaalsContact O-N 3.08Å |
| 38 | T | 44.6 | Very low | 44.1 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | | | trans | -81.4 | 88.7 | 166.9 | 42 | 0 | 0 | 0 | 0 | 109.9 | T40 | T38-T40 PolarHBondContact O-N 2.83Š|
| 39 | S | 49 | Very low | 44.2 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -68.1 | 111.1 | 169.5 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | S37 C41 | S37-S39 PolarHBondContact O-N 3.49Å; S37-S39 VanDerWaalsContact O-N 3.08Å; S39-C41 PolarHBondContact O-N 3.02Å |
| 40 | T | 42.6 | Very low | 44.1 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | -78 | 96.3 | 168 | 48.5 | 0 | 0 | 0 | 0 | 109.3 | T38 S42 | T38-T40 PolarHBondContact O-N 2.83Å; T40-S42 PolarHBondContact O-N 3.49Å |
| 41 | C | 41.6 | Very low | 44.4 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | | | trans | -83.1 | 89.5 | 169.9 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | S39 | S39-C41 PolarHBondContact O-N 3.02Š|
| 42 | S | 39.6 | Very low | 44.3 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | trans | -76.3 | 108.1 | 152.9 | -69.4 | 0 | 0 | 0 | 0 | 107.6 | T40 | T40-S42 PolarHBondContact O-N 3.49Š|
| 43 | S | 43.4 | Very low | 43.9 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | | | trans | 172.8 | 103.7 | 156.4 | -83.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 44 | C | 41.2 | Very low | 44 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 90% | 0.899 | 80% | 0.804 | S | S | * | * | | | trans | -157.1 | 68.3 | 140.3 | 11.3 | 0 | 0 | 0 | 0 | 110 | | |
| 45 | N | 38 | Very low | 43.7 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | | | trans | -88.4 | 106.8 | 153.4 | -139.1 | 21.8 | 0 | 0 | 0 | 105.7 | | |
| 46 | R | 43.5 | Very low | 43.7 | Very low | 220 Ų | 220 | 135.1 Ų | 135.1 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | | | trans | -121.8 | 93.2 | 179.6 | -167.4 | 173.9 | 176 | 170.6 | 0.8 | 108.6 | | |
| 47 | E | 40.1 | Very low | 43.8 | Very low | 182 Ų | 182 | 133 Ų | 133 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | -59.9 | 126.7 | 155.7 | -76.9 | 169 | 81 | 0 | 0 | 109.4 | | |
| 48 | S | 46.9 | Very low | 44 | Very low | 87 Ų | 87 | 136 Ų | 136 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | | | trans | -177.8 | 119.5 | 166.4 | -66.1 | 0 | 0 | 0 | 0 | 103.6 | | |
| 49 | S | 47.4 | Very low | 44.2 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | cis | -167.6 | 137.3 | 35.7 | -48.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 50 | D | 40.4 | Very low | 44.2 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -68 | 135.9 | 143.2 | -89.5 | -45.1 | 0 | 0 | 0 | 108.9 | | |
| 51 | L | 49.6 | Very low | 44.3 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | trans | -174.4 | 106.8 | 145.6 | -104.9 | 151.6 | 0 | 0 | 0 | 109.8 | | |
| 52 | E | 44.4 | Very low | 44.5 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | -61.9 | 135.8 | 169.5 | -53.3 | -158.1 | 135.6 | 0 | 0 | 111.8 | | |
| 53 | I | 45.3 | Very low | 44.8 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | | | trans | -142.5 | 113 | 153 | -54.9 | 179.5 | 0 | 0 | 0 | 108.6 | | |
| 54 | S | 42.4 | Very low | 45.1 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | | | trans | -77.1 | 167.4 | 172.3 | -58 | 0 | 0 | 0 | 0 | 113.1 | | |
| 55 | S | 46.4 | Very low | 45.5 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | 81.1 | 134.5 | 165.3 | 75.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 56 | S | 44.1 | Very low | 45.9 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | cis | -170.6 | 142.4 | 4.3 | 29.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 57 | T | 43.7 | Very low | 46 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | | | trans | 30.5 | 138.4 | 130.9 | -12 | 0 | 0 | 0 | 0 | 117.5 | | |
| 58 | E | 50.7 | Low | 46.4 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | cis | -163.4 | 154.8 | 29.4 | -11.1 | -152.5 | 86 | 0 | 0 | 111.8 | | |
| 59 | E | 48.9 | Very low | 46.3 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | 66.4 | 116.3 | 141 | -58 | -150.7 | 141.6 | 0 | 0 | 125.3 | | |
| 60 | S | 47.3 | Very low | 46.3 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | | 78.1 | 107.2 | 125.2 | -162.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 61 | A | 45.4 | Very low | 46.7 | Very low | 94 Ų | 94 | 149.2 Ų | 149.2 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | | | | -178.8 | 126.2 | 105.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 62 | T | 46.9 | Very low | 46.6 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | | | trans | -67.1 | 134.9 | 172.5 | 45.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 63 | D | 44.6 | Very low | 46.7 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | | | trans | -150.4 | 130.4 | 146.2 | -120 | -32.7 | 0 | 0 | 0 | 109.4 | | |
| 64 | E | 50.9 | Low | 46.9 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | | | trans | -87.6 | 124.7 | -175.2 | -55 | -151.5 | 143.6 | 0 | 0 | 109.7 | | |
| 65 | E | 47.7 | Very low | 46.9 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -152.3 | 147.1 | 149.9 | -141.8 | -174.8 | 142.2 | 0 | 0 | 111.1 | | |
| 66 | S | 48.3 | Very low | 47.1 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | trans | -70.2 | 149.6 | -150.1 | 37.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 67 | V | 43.9 | Very low | 47.3 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | | | trans | -65 | 116.5 | 165.5 | 174 | 0 | 0 | 0 | 0 | 110.5 | | |
| 68 | E | 48.6 | Very low | 47.5 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -140.3 | 71.8 | 162 | -77.7 | -78.7 | 149.4 | 0 | 0 | 106.6 | | |
| 69 | E | 46.1 | Very low | 47.2 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | | | trans | -138.1 | 52.6 | 176 | -157.8 | -178.2 | -157.1 | 0 | 0 | 110.7 | | |
| 70 | E | 47.7 | Very low | 47.3 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | -157.9 | 78.8 | 165.7 | -80 | -146.5 | 160.6 | 0 | 0 | 112.8 | | |
| 71 | E | 48.8 | Very low | 47.1 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -144.8 | -4 | 161.7 | -90.1 | -156.2 | 142.6 | 0 | 0 | 115.4 | | |
| 72 | A | 46.1 | Very low | 47.3 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -89.1 | -7.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 73 | E | 47.2 | Very low | 47.2 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -114.6 | -9.9 | -174.1 | -63.4 | -156.8 | 156.9 | 0 | 0 | 115.8 | | |
| 74 | N | 49.5 | Very low | 47.2 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -17.9 | -177.1 | -93.9 | -24.6 | 0 | 0 | 0 | 115.6 | S76 | N74-S76 VanDerWaalsContact C-N 3.33Å; N74-S76 PolarHBondContact O-N 3.34Å |
| 75 | L | 43.4 | Very low | 46.9 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -79.2 | -11.2 | -179.8 | -72.9 | 167.8 | 0 | 0 | 0 | 114.4 | | |
| 76 | S | 50.5 | Low | 46.8 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 66% | 0.664 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -88 | -11.7 | 178.9 | -171.8 | 0 | 0 | 0 | 0 | 113.8 | N74 | N74-S76 VanDerWaalsContact C-N 3.33Å; N74-S76 PolarHBondContact O-N 3.34Å |
| 77 | V | 47.4 | Very low | 46.6 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 50% | 0.497 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -98.8 | -35.6 | -176.4 | -176 | 0 | 0 | 0 | 0 | 111.6 | L79 S80 M81 | V77-L79 VanDerWaalsContact C-N 3.33Å; V77-L79 PolarHBondContact O-N 2.84Å; V77-S80 PolarHBondContact O-N 3.04Å; V77-S80 PolarHBondContact O-OG 2.86Å; V77-M81 PolarHBondContact O-N 2.87Å |
| 78 | E | 48.1 | Very low | 46.8 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 70% | 0.696 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -68.1 | -29.6 | 177.1 | -86.9 | -162.4 | 124.9 | 0 | 0 | 113.9 | | |
| 79 | L | 43.4 | Very low | 46.6 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 67% | 0.665 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -80.1 | -15.6 | 176.5 | -86.7 | 159.4 | 0 | 0 | 0 | 113.6 | V77 | V77-L79 VanDerWaalsContact C-N 3.33Å; V77-L79 PolarHBondContact O-N 2.84Å |
| 80 | S | 50.9 | Low | 46.4 | Very low | 63 Ų | 63 | 129.5 Ų | 129.5 | 44% | 0.441 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -89 | -28.7 | 178.1 | 71.4 | 0 | 0 | 0 | 0 | 112.8 | V77 | V77-S80 PolarHBondContact O-N 3.04Å; V77-S80 PolarHBondContact O-OG 2.86Å |
| 81 | M | 43.6 | Very low | 45.8 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 60% | 0.596 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -77.2 | -34.8 | 175.8 | -76.5 | -169.2 | 64.4 | 0 | 0 | 113.3 | V77 Y83 Y84 S85 | V77-M81 PolarHBondContact O-N 2.87Å; M81-Y83 PolarHBondContact O-N 3.41Å; M81-Y83 VanDerWaalsContact O-N 3.17Å; M81-Y84 PolarHBondContact O-N 3.08Å; M81-S85 PolarHBondContact O-N 3.39Å; M81-S85 VanDerWaalsContact O-N 3.12Å; M81-S85 PolarHBondContact O-OG 3.22Å |
| 82 | K | 50.8 | Low | 45.2 | Very low | 175 Ų | 175 | 125 Ų | 125 | 76% | 0.761 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -14 | -176.5 | -123.9 | 163 | -173.4 | 166.6 | 0 | 115.1 | | |
| 83 | Y | 44 | Very low | 44.8 | Very low | 191 Ų | 191 | 126 Ų | 126 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -10.5 | 174.2 | -86.7 | -86.7 | 0 | 0 | 0 | 114.1 | M81 | M81-Y83 PolarHBondContact O-N 3.41Å; M81-Y83 VanDerWaalsContact O-N 3.17Å |
| 84 | Y | 44.9 | Very low | 44.1 | Very low | 184 Ų | 184 | 123.8 Ų | 123.8 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -22.5 | 176.6 | -95.4 | -88.7 | 0 | 0 | 0 | 113.4 | M81 A86 A87 | M81-Y84 PolarHBondContact O-N 3.08Å; Y84-A86 VanDerWaalsContact C-N 3.3Å; Y84-A86 PolarHBondContact O-N 3Å; Y84-A87 PolarHBondContact O-N 3.18Å |
| 85 | S | 45.1 | Very low | 43.4 | Very low | 73 Ų | 73 | 121 Ų | 121 | 51% | 0.51 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.5 | -5 | 175.3 | -57.5 | 0 | 0 | 0 | 0 | 114.8 | M81 | M81-S85 PolarHBondContact O-N 3.39Å; M81-S85 VanDerWaalsContact O-N 3.12Å; M81-S85 PolarHBondContact O-OG 3.22Å |
| 86 | A | 44.5 | Very low | 43 | Very low | 79 Ų | 79 | 120 Ų | 120 | 65% | 0.653 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -4.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y84 | Y84-A86 VanDerWaalsContact C-N 3.3Å; Y84-A86 PolarHBondContact O-N 3Å |
| 87 | A | 45.2 | Very low | 42.4 | Very low | 71 Ų | 71 | 126 Ų | 126 | 59% | 0.587 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -99.9 | -10.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y84 | Y84-A87 PolarHBondContact O-N 3.18Š|
| 88 | E | 46.6 | Very low | 41.8 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -112.1 | -7.8 | -173 | -60.7 | -154.5 | 147.5 | 0 | 0 | 115.1 | | |
| 89 | D | 44.3 | Very low | 41.4 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -99.2 | 15.8 | 176.7 | -73.7 | -32.1 | 0 | 0 | 0 | 114.1 | | |
| 90 | S | 41.8 | Very low | 41.1 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 65% | 0.65 | 71% | 0.708 | S | S | * | * | | | trans | -113.2 | 36.2 | 172.5 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | S92 | S90-S92 VanDerWaalsContact C-N 3.35Å; S90-S92 PolarHBondContact O-N 3.19Å |
| 91 | N | 35.9 | Very low | 40.6 | Very low | 157 Ų | 157 | 133 Ų | 133 | 84% | 0.84 | 72% | 0.723 | S | S | * | * | | | trans | -91.6 | 66.9 | 165.7 | -88.2 | -7 | 0 | 0 | 0 | 110.3 | | |
| 92 | S | 36.3 | Very low | 40.4 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | | | trans | -172.9 | 63.5 | 157.9 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | S90 | S90-S92 VanDerWaalsContact C-N 3.35Å; S90-S92 PolarHBondContact O-N 3.19Å |
| 93 | T | 37.6 | Very low | 39.8 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 77% | 0.767 | 74% | 0.735 | S | S | * | * | | | trans | -137.8 | 97.6 | 156.7 | -48.5 | 0 | 0 | 0 | 0 | 106.1 | A95 | T93-A95 VanDerWaalsContact C-N 3.3Å; T93-A95 PolarHBondContact O-N 3.22Å |
| 94 | T | 32.3 | Very low | 39.6 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | | | trans | -49.6 | 100.3 | 160.7 | 20 | 0 | 0 | 0 | 0 | 107.7 | T96 | T94-T96 PolarHBondContact O-N 2.94Š|
| 95 | A | 35.3 | Very low | 39.1 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 59% | 0.587 | 74% | 0.744 | S | S | * | * | | | trans | -69.8 | 92.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106 | T93 W97 | T93-A95 VanDerWaalsContact C-N 3.3Å; T93-A95 PolarHBondContact O-N 3.22Å; A95-W97 VanDerWaalsContact C-N 3.33Å; A95-W97 PolarHBondContact O-N 3Å |
| 96 | T | 34 | Very low | 38.9 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | | | trans | -68 | 96.2 | 169.5 | -23.6 | 0 | 0 | 0 | 0 | 106.9 | T94 Y98 | T94-T96 PolarHBondContact O-N 2.94Å; T96-Y98 PolarHBondContact O-N 3.26Å |
| 97 | W | 38.3 | Very low | 38.5 | Very low | 222 Ų | 222 | 135.6 Ų | 135.6 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | | | trans | -72.3 | 105.7 | 166.5 | -63.4 | 87.3 | 0 | 0 | 0 | 106.8 | A95 T99 | A95-W97 VanDerWaalsContact C-N 3.33Å; A95-W97 PolarHBondContact O-N 3Å; W97-T99 PolarHBondContact O-N 3.07Å; W97-T99 VanDerWaalsContact O-N 3.08Å |
| 98 | Y | 35.5 | Very low | 38.5 | Very low | 219 Ų | 219 | 138 Ų | 138 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | -70.4 | 98.1 | 165.5 | -85 | -90 | 0 | 0 | 0 | 107.6 | T96 A100 | T96-Y98 PolarHBondContact O-N 3.26Å; Y98-A100 PolarHBondContact O-N 3.1Å |
| 99 | T | 39.3 | Very low | 38.2 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 64% | 0.644 | 78% | 0.78 | S | S | * | * | | | trans | -74.4 | 109.7 | 157.4 | 48.7 | 0 | 0 | 0 | 0 | 106.9 | W97 N101 | W97-T99 PolarHBondContact O-N 3.07Å; W97-T99 VanDerWaalsContact O-N 3.08Å; T99-N101 VanDerWaalsContact C-N 3.3Å; T99-N101 PolarHBondContact O-N 3.08Å |
| 100 | A | 36.2 | Very low | 37.8 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | -65.5 | 93.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y98 | Y98-A100 PolarHBondContact O-N 3.1Š|
| 101 | N | 41.2 | Very low | 37.5 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | | | trans | -83.4 | 117.7 | 162.4 | -73.4 | -22.4 | 0 | 0 | 0 | 106.9 | T99 | T99-N101 VanDerWaalsContact C-N 3.3Å; T99-N101 PolarHBondContact O-N 3.08Å |
| 102 | E | 40 | Very low | 37.5 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -52.2 | 136.8 | 167.4 | -76.9 | 177.9 | 121.6 | 0 | 0 | 110.7 | | |
| 103 | G | 37.4 | Very low | 37.5 | Very low | 68 Ų | 68 | 138.8 Ų | 138.8 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | 86.7 | 78.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 104 | D | 39.2 | Very low | 37.6 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | | | | -171 | 120.7 | 123.5 | -98.6 | -27.4 | 0 | 0 | 0 | 110.1 | M106 | D104-M106 PolarHBondContact O-N 3.17Š|
| 105 | T | 35.6 | Very low | 37.9 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -58.6 | 116.7 | 171.5 | 40.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 106 | M | 41.2 | Very low | 38.2 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | | | trans | -135.6 | 123 | 160.7 | -76.7 | -67.4 | 178.5 | 0 | 0 | 110.6 | D104 | D104-M106 PolarHBondContact O-N 3.17Š|
| 107 | D | 35.7 | Very low | 38.2 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | | | trans | -40.5 | 136 | 172.7 | -102 | -38.5 | 0 | 0 | 0 | 114.1 | K109 | D107-K109 PolarHBondContact O-N 3.41Š|
| 108 | P | 45 | Very low | 38.2 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | | | trans | -76.6 | 89.1 | 162.4 | 31.9 | -30.4 | 0 | 0 | 0 | 109.1 | S110 | P108-S110 PolarHBondContact O-N 2.9Š|
| 109 | K | 40.6 | Very low | 38.2 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | -79.3 | 103.8 | 171.5 | -134.6 | 167 | -172 | 165.9 | 0 | 109.8 | D107 | D107-K109 PolarHBondContact O-N 3.41Š|
| 110 | S | 35.7 | Very low | 38.6 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | -18.3 | 123 | 162.3 | -53.1 | 0 | 0 | 0 | 0 | 115.4 | P108 | P108-S110 PolarHBondContact O-N 2.9Š|
| 111 | I | 35.8 | Very low | 38.7 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | | | trans | -110.8 | 97 | 157.8 | 34 | 169.8 | 0 | 0 | 0 | 108.4 | | |
| 112 | S | 34.4 | Very low | 38.8 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | | | trans | -116.3 | 117.6 | 159.1 | 60.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 113 | S | 37.4 | Very low | 38.5 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | -164.2 | 96.6 | 161.8 | -69.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 114 | T | 39.4 | Very low | 38.7 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | | | | 64.3 | 124.3 | 101.9 | 35.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 115 | E | 39.3 | Very low | 38.5 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | | | trans | -43.5 | 138.6 | 166.8 | -64.5 | 167.7 | 116.1 | 0 | 0 | 113.4 | | |
| 116 | E | 40.7 | Very low | 38.6 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | trans | -161.1 | 137.4 | 130.8 | -114.1 | -165.5 | 149.2 | 0 | 0 | 110.8 | | |
| 117 | A | 34.7 | Very low | 38.5 | Very low | 91 Ų | 91 | 143.5 Ų | 143.5 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | | | trans | -68.3 | 151 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 118 | T | 37.1 | Very low | 38.6 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | -169.4 | 118.5 | 141.8 | -68.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 119 | A | 35.7 | Very low | 38 | Very low | 89 Ų | 89 | 140.4 Ų | 140.4 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 144.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 120 | P | 49.1 | Very low | 37.7 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93 | 116.5 | 165.9 | 31.6 | -26.3 | 0 | 0 | 0 | 111.3 | | |
| 121 | N | 37.1 | Very low | 37.8 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 135.5 | 158.9 | -99.1 | -48.9 | 0 | 0 | 0 | 110.5 | | |
| 122 | T | 44.4 | Very low | 37.8 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | | | trans | -131.2 | 109.1 | 150.1 | 49.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 123 | S | 34 | Very low | 37.6 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | | | trans | -69.8 | 139 | 177.4 | -52.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 124 | R | 40.2 | Very low | 37.8 | Very low | 246 Ų | 246 | 143.2 Ų | 143.2 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | | | trans | -162.8 | 108.3 | 137.5 | -128 | 172.9 | -179.9 | 148.9 | -0.3 | 111.7 | | |
| 125 | D | 36.3 | Very low | 37.6 | Very low | 153 Ų | 153 | 145 Ų | 145 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -60.9 | 128.9 | 164.3 | -67.4 | -60.3 | 0 | 0 | 0 | 111 | | |
| 126 | I | 37.8 | Very low | 37.3 | Very low | 165 Ų | 165 | 147.4 Ų | 147.4 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | trans | -146.8 | 133.8 | 140.5 | -57.3 | -172.3 | 0 | 0 | 0 | 109.2 | | |
| 127 | T | 38.6 | Very low | 36.8 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | | | trans | -73.9 | 163 | -168.2 | 51.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 128 | S | 36.4 | Very low | 36.9 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | 83 | 118.9 | 137.6 | 162.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 129 | G | 33.3 | Very low | 36.4 | Very low | 78 Ų | 78 | 146.2 Ų | 146.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 164 | 99.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 130 | K | 33.6 | Very low | 36.3 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | | | trans | -78.9 | 150.8 | 175.4 | -78.7 | -169.8 | 165.9 | -167 | 0 | 113.6 | | |
| 131 | A | 38.5 | Very low | 35.4 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -169.9 | 97.4 | 139 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 132 | E | 37 | Very low | 34.9 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | | 54.2 | 113.7 | 87.3 | -96.6 | 175.8 | -173.5 | 0 | 0 | 117.2 | | |
| 133 | Q | 30.2 | Very low | 34.1 | Very low | 187 Ų | 187 | 152 Ų | 152 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | -58.5 | -164.9 | 174.8 | -83.7 | -154.9 | -28.6 | 0 | 0 | 117 | | |
| 134 | P | 40.6 | Very low | 33.9 | Very low | 96 Ų | 96 | 157 Ų | 157 | 62% | 0.623 | 82% | 0.818 | S | S | * | * | | | | -140.8 | -166.1 | -57.3 | 42.4 | -24.1 | 0 | 0 | 0 | 113.5 | | |
| 135 | E | 35 | Very low | 33.5 | Very low | 175 Ų | 175 | 150.4 Ų | 150.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | 78.8 | 116.7 | 154.8 | -73.4 | -164 | 174.9 | 0 | 0 | 122.2 | | |
| 136 | R | 33.4 | Very low | 33.1 | Very low | 241 Ų | 241 | 151 Ų | 151 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | | -178.7 | 129.7 | 110.2 | -96.3 | -176.1 | 179.4 | -171.6 | 1.2 | 113.2 | | |
| 137 | S | 29.5 | Very low | 32.6 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -70 | -165.2 | 173.9 | -22.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 138 | P | 36.5 | Very low | 32.1 | Very low | 104 Ų | 104 | 150.3 Ų | 150.3 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | | | cis | -144.9 | -176.9 | -9.2 | 31.6 | -7.2 | 0 | 0 | 0 | 116.8 | | |
| 139 | Q | 27.8 | Very low | 31.8 | Very low | 187 Ų | 187 | 151 Ų | 151 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | 74.6 | 113 | 141.1 | -95.1 | 177.3 | -63.9 | 0 | 0 | 122.5 | | |
| 140 | S | 33.3 | Very low | 31.5 | Very low | 109 Ų | 109 | 151 Ų | 151 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | | -173.4 | 121.8 | 116.9 | 64.1 | 0 | 0 | 0 | 0 | 114 | | |
| 141 | S | 30.4 | Very low | 31.2 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | trans | 47.3 | 113.9 | 141.8 | 60.4 | 0 | 0 | 0 | 0 | 122.8 | | |
| 142 | E | 26.3 | Very low | 30.7 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | | 45.5 | 96.7 | 126.6 | -61 | -177.6 | 175.4 | 0 | 0 | 120 | | |
| 143 | R | 26.7 | Very low | 30.4 | Very low | 233 Ų | 233 | 149.6 Ų | 149.6 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | trans | -134.8 | 115 | 132 | -78.3 | -169.2 | 178.3 | 177.7 | -0.2 | 109.1 | V145 | R143-V145 HydrophobicContact CB-CG2 4.26Å; R143-V145 PolarHBondContact O-N 3.26Å |
| 144 | K | 31.1 | Very low | 30.3 | Very low | 212 Ų | 212 | 143.6 Ų | 143.6 | 92% | 0.922 | 77% | 0.767 | S | S | * | * | | | trans | -61.1 | 91 | 154.2 | -85.9 | -178 | 174.6 | -177.9 | 0 | 106.6 | L146 | K144-L146 PolarHBondContact O-N 2.95Š|
| 145 | V | 30.3 | Very low | 29.7 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | | | trans | -76.4 | 107.4 | 160.9 | -177.3 | 0 | 0 | 0 | 0 | 104.6 | R143 T147 | R143-V145 HydrophobicContact CB-CG2 4.26Å; R143-V145 PolarHBondContact O-N 3.26Å; V145-T147 PolarHBondContact O-N 2.85Å; V145-T147 PolarHBondContact O-OG1 3.05Å |
| 146 | L | 28.1 | Very low | 29.4 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | trans | -62.4 | 87 | 159.4 | -78.6 | 162.9 | 0 | 0 | 0 | 106.1 | K144 E148 | K144-L146 PolarHBondContact O-N 2.95Å; L146-E148 PolarHBondContact O-N 3.38Å |
| 147 | T | 28.3 | Very low | 29.1 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 58% | 0.577 | 77% | 0.767 | S | S | * | * | | | trans | -75.3 | 79.1 | 162.6 | -33.8 | 0 | 0 | 0 | 0 | 105.5 | V145 N149 | V145-T147 PolarHBondContact O-N 2.85Å; V145-T147 PolarHBondContact O-OG1 3.05Å; T147-N149 WeakPolarHBondContact CG2-OD1 3.48Å; T147-N149 PolarHBondContact O-N 3.14Å |
| 148 | E | 28.5 | Very low | 29.2 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | trans | -71.5 | 83.4 | 162.7 | -157.6 | 177.2 | -165.5 | 0 | 0 | 106.2 | L146 A150 | L146-E148 PolarHBondContact O-N 3.38Å; E148-A150 PolarHBondContact O-N 3.16Å |
| 149 | N | 30.1 | Very low | 28.9 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | trans | -64 | 79 | 160.9 | -73.1 | -37.9 | 0 | 0 | 0 | 106.6 | T147 S151 | T147-N149 WeakPolarHBondContact CG2-OD1 3.48Å; T147-N149 PolarHBondContact O-N 3.14Å; N149-S151 PolarHBondContact O-N 3.01Å |
| 150 | A | 26.6 | Very low | 28.9 | Very low | 78 Ų | 78 | 142.7 Ų | 142.7 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | | | trans | -67.4 | 92.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | E148 I152 | E148-A150 PolarHBondContact O-N 3.16Å; A150-I152 PolarHBondContact O-N 3.16Å; A150-I152 VanDerWaalsContact O-N 3.1Å |
| 151 | S | 28 | Very low | 28.6 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | -46.3 | 112.5 | 167.7 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | N149 E153 | N149-S151 PolarHBondContact O-N 3.01Å; S151-E153 PolarHBondContact O-N 3.05Å; S151-E153 VanDerWaalsContact O-N 3.08Å |
| 152 | I | 27.1 | Very low | 28.6 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | | | trans | -80.7 | 81.6 | 163.1 | -58 | 174.3 | 0 | 0 | 0 | 105.3 | A150 G154 | A150-I152 PolarHBondContact O-N 3.16Å; A150-I152 VanDerWaalsContact O-N 3.1Å; I152-G154 PolarHBondContact O-N 3.2Å |
| 153 | E | 31.2 | Very low | 28.7 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -75.1 | 85.9 | 165.6 | -164.8 | 170.1 | -169.3 | 0 | 0 | 107.5 | S151 T155 | S151-E153 PolarHBondContact O-N 3.05Å; S151-E153 VanDerWaalsContact O-N 3.08Å; E153-T155 PolarHBondContact O-N 3.45Å; E153-T155 VanDerWaalsContact O-N 3.16Å |
| 154 | G | 26.9 | Very low | 28.8 | Very low | 61 Ų | 61 | 136.1 Ų | 136.1 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | trans | -72.6 | 99 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110 | I152 I156 | I152-G154 PolarHBondContact O-N 3.2Å; G154-I156 PolarHBondContact O-N 3.38Å |
| 155 | T | 27.7 | Very low | 28.9 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -79.6 | 97.4 | 168 | -26.3 | 0 | 0 | 0 | 0 | 109.1 | E153 K157 | E153-T155 PolarHBondContact O-N 3.45Å; E153-T155 VanDerWaalsContact O-N 3.16Å; T155-K157 PolarHBondContact O-N 3.4Å |
| 156 | I | 29.8 | Very low | 29 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | -76.1 | 102.4 | 166.4 | -61.3 | 173.9 | 0 | 0 | 0 | 106.9 | G154 T158 | G154-I156 PolarHBondContact O-N 3.38Å; I156-T158 PolarHBondContact O-N 3Å |
| 157 | K | 26.2 | Very low | 29.1 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | | | trans | -80.4 | 97.6 | 165.5 | -110.5 | -177.3 | 177.6 | -178 | 0 | 108.3 | T155 T159 | T155-K157 PolarHBondContact O-N 3.4Å; K157-T159 PolarHBondContact O-N 3.45Å |
| 158 | T | 32 | Very low | 29.3 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 61% | 0.613 | 78% | 0.775 | S | S | * | * | | | trans | -81.8 | 106.2 | 167.1 | -43.2 | 0 | 0 | 0 | 0 | 108.1 | I156 Y160 | I156-T158 PolarHBondContact O-N 3Å; T158-Y160 HydrophobicContact CG2-CD2 3.81Å; T158-Y160 HydrophobicContact CG2-CE2 3.69Å; T158-Y160 PolarHBondContact O-N 3.24Å |
| 159 | T | 29.7 | Very low | 29.5 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -81 | 103.6 | 172.1 | -35.3 | 0 | 0 | 0 | 0 | 108.3 | K157 | K157-T159 PolarHBondContact O-N 3.45Š|
| 160 | Y | 28.2 | Very low | 29.6 | Very low | 204 Ų | 204 | 138.3 Ų | 138.3 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | -87 | 114.8 | 165.6 | -92.4 | -94.4 | 0 | 0 | 0 | 108.6 | T158 S162 | T158-Y160 HydrophobicContact CG2-CD2 3.81Å; T158-Y160 HydrophobicContact CG2-CE2 3.69Å; T158-Y160 PolarHBondContact O-N 3.24Å; Y160-S162 PolarHBondContact O-N 2.9Å |
| 161 | S | 27.9 | Very low | 29.8 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | trans | -81.8 | 96.1 | 162.3 | -70.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 162 | S | 29.7 | Very low | 30.2 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -98.8 | 101.5 | 163 | 65.2 | 0 | 0 | 0 | 0 | 108.5 | Y160 | Y160-S162 PolarHBondContact O-N 2.9Š|
| 163 | S | 29.4 | Very low | 30.6 | Very low | 110 Ų | 110 | 149 Ų | 149 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -102.3 | 84.9 | 164.7 | 52.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 164 | D | 27.6 | Very low | 30.6 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -167.9 | 103.9 | 152.3 | -95.7 | -32.6 | 0 | 0 | 0 | 108.7 | | |
| 165 | K | 33.3 | Very low | 30.9 | Very low | 198 Ų | 198 | 151.1 Ų | 151.1 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | 178 | 111.1 | 146 | -98 | 166 | -171.6 | -174.5 | 0 | 110.5 | | |
| 166 | S | 32.1 | Very low | 31.1 | Very low | 110 Ų | 110 | 155.1 Ų | 155.1 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | | 71.2 | 115.4 | 128.8 | -43.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 167 | A | 30.7 | Very low | 31.1 | Very low | 96 Ų | 96 | 153.3 Ų | 153.3 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | | | trans | 67.1 | 103.3 | 142.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 168 | E | 31.8 | Very low | 31.6 | Very low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | | | | -167.9 | 138.9 | 108.2 | -120 | 176.5 | 148.4 | 0 | 0 | 110.9 | | |
| 169 | L | 32.7 | Very low | 31.5 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | | | trans | -58.6 | 135.4 | 171 | -73.7 | 137 | 0 | 0 | 0 | 110.2 | | |
| 170 | E | 33 | Very low | 32 | Very low | 182 Ų | 182 | 150 Ų | 150 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | | | | 169 | 135.7 | 114.6 | -95.5 | 170.2 | 148.2 | 0 | 0 | 112.9 | | |
| 171 | S | 31.4 | Very low | 32.3 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | | | trans | 79.9 | 82.9 | 151 | 74.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 172 | R | 36.1 | Very low | 32.9 | Very low | 253 Ų | 253 | 146.1 Ų | 146.1 | 96% | 0.955 | 83% | 0.826 | S | S | * | * | | | trans | -131.9 | 101.5 | 132 | -72.3 | -164.2 | -176.1 | -146.6 | 2.4 | 110.5 | S174 | R172-S174 PolarHBondContact O-N 3.05Š|
| 173 | K | 35.2 | Very low | 33.4 | Very low | 205 Ų | 205 | 149.1 Ų | 149.1 | 89% | 0.891 | 83% | 0.833 | S | S | * | * | | | trans | -45.4 | 121 | 167.5 | -104 | 159 | 163.4 | 170.1 | 0 | 110.4 | | |
| 174 | S | 31.8 | Very low | 33.6 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 69% | 0.692 | 84% | 0.836 | S | S | * | * | | | | 63.6 | 98.3 | 78.9 | 169.7 | 0 | 0 | 0 | 0 | 114.4 | R172 | R172-S174 PolarHBondContact O-N 3.05Š|
| 175 | I | 32.2 | Very low | 34.3 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | | | trans | -141.8 | 92.4 | 137.5 | -49.4 | 179.1 | 0 | 0 | 0 | 107.9 | | |
| 176 | F | 31.5 | Very low | 34.4 | Very low | 208 Ų | 208 | 140.3 Ų | 140.3 | 91% | 0.912 | 83% | 0.832 | S | S | * | * | | | trans | -144.7 | 105.2 | 161.7 | -143.1 | -84.4 | 0 | 0 | 0 | 106.6 | | |
| 177 | S | 31.2 | Very low | 34.6 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | | | trans | 155.4 | 115.3 | 146.8 | 61.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 178 | S | 35.6 | Very low | 35 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | | | trans | -155.2 | 93.1 | 139.2 | 50.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 179 | S | 31.4 | Very low | 35.3 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | | | trans | -70.8 | 159 | 153.6 | -46 | 0 | 0 | 0 | 0 | 108.2 | | |
| 180 | P | 39.4 | Very low | 35.4 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | | | | -146.2 | 155.1 | 69.1 | 32.4 | -10.4 | 0 | 0 | 0 | 117.1 | | |
| 181 | C | 33.4 | Very low | 35.6 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | 51.3 | 112.6 | 141.5 | -57.3 | 0 | 0 | 0 | 0 | 120 | | |
| 182 | S | 42.2 | Very low | 35.8 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | | | trans | -157.8 | 107.2 | 136.2 | -65.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 183 | D | 39 | Very low | 35.6 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | | | trans | -62.5 | 141 | 171.4 | -67.7 | -48.1 | 0 | 0 | 0 | 110.8 | | |
| 184 | G | 34.8 | Very low | 35.8 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | 173.3 | 76 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 185 | S | 41.7 | Very low | 35.8 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | | | trans | -62.8 | 152.3 | 174.2 | 46.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 186 | G | 35.1 | Very low | 35.9 | Very low | 70 Ų | 70 | 125.2 Ų | 125.2 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | 128.4 | 89.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 187 | S | 37.4 | Very low | 36.1 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | | 66.3 | 128.8 | 84.1 | 90.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 188 | D | 39.2 | Very low | 36.1 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | trans | 92.6 | 111.5 | 152.2 | -47.3 | -35.9 | 0 | 0 | 0 | 119.9 | | |
| 189 | D | 36.3 | Very low | 36 | Very low | 162 Ų | 162 | 119.7 Ų | 119.7 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | | | trans | 55.8 | 123.8 | 132 | -60.3 | -20.7 | 0 | 0 | 0 | 120.4 | | |
| 190 | G | 36.5 | Very low | 36.1 | Very low | 61 Ų | 61 | 122.9 Ų | 122.9 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | | | trans | 150.5 | 96.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 191 | T | 36.1 | Very low | 36.1 | Very low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | | 54.7 | 117.7 | 120.2 | 48.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 192 | T | 35.7 | Very low | 36.1 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | | 91.9 | 107.8 | 126.7 | -48.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 193 | F | 31.5 | Very low | 35.9 | Very low | 182 Ų | 182 | 128.5 Ų | 128.5 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | | | | 22.2 | 121.4 | 128 | -103.2 | -97.2 | 0 | 0 | 0 | 117.8 | | |
| 194 | S | 39.2 | Very low | 35.7 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | -161.2 | 113 | 132.7 | -79.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 195 | S | 33.1 | Very low | 35.9 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | trans | -57.1 | 140.8 | 161.7 | -39.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 196 | N | 33.9 | Very low | 35.6 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | | | | -179.9 | 145.4 | 120.9 | -116.8 | -6.6 | 0 | 0 | 0 | 114.7 | | |
| 197 | A | 34.6 | Very low | 35.6 | Very low | 82 Ų | 82 | 137.1 Ų | 137.1 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | 76.8 | 101.6 | 136.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 198 | N | 32.1 | Very low | 35.3 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 94% | 0.936 | 76% | 0.764 | S | S | * | * | | | | 37.8 | 128.3 | 117.6 | -84.3 | 3.4 | 0 | 0 | 0 | 120.8 | | |
| 199 | G | 33.5 | Very low | 35.2 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | 164.7 | 99.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 200 | H | 32.5 | Very low | 35 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | | | | 49 | 123.3 | 91.4 | -110 | -42.5 | 0 | 0 | 0 | 110.5 | | |
| 201 | E | 40 | Very low | 34.8 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | cis | -167.5 | 142.1 | 42.1 | -50.6 | -163.9 | 138.6 | 0 | 0 | 107.4 | | |
| 202 | H | 34.5 | Very low | 34.7 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 65% | 0.653 | 78% | 0.779 | S | S | * | * | | | | 73 | 109.3 | 95.1 | -160.9 | -83 | 0 | 0 | 0 | 116.8 | Q204 | H202-Q204 PolarHBondContact CE1-NE2 3.17Å; H202-Q204 PolarHBondContact NE2-NE2 2.93Å |
| 203 | E | 38.2 | Very low | 34.4 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | 170.5 | 100.3 | 140.8 | -102.5 | -177.6 | 138.5 | 0 | 0 | 107.8 | | |
| 204 | Q | 34.1 | Very low | 34.6 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | | 62.2 | 146.9 | 75 | -73.1 | -153 | 39.3 | 0 | 0 | 116.9 | H202 | H202-Q204 PolarHBondContact CE1-NE2 3.17Å; H202-Q204 PolarHBondContact NE2-NE2 2.93Å |
| 205 | L | 38.1 | Very low | 34.4 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | 93.2 | 85 | 177 | -59.2 | 160.1 | 0 | 0 | 0 | 113.8 | | |
| 206 | E | 35.5 | Very low | 34.5 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | | 44.3 | 119.5 | 80.7 | -63.2 | -158.5 | 148.4 | 0 | 0 | 113.7 | | |
| 207 | Q | 35.6 | Very low | 34.6 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | | 175.3 | 127.6 | 97.5 | -86.3 | -173.1 | -4.4 | 0 | 0 | 112 | | |
| 208 | S | 32 | Very low | 34.6 | Very low | 105 Ų | 105 | 152.7 Ų | 152.7 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -17.8 | 141.2 | 157.5 | -161.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 209 | S | 37.3 | Very low | 34.8 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -159.7 | 108.8 | 140 | -79.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 210 | Q | 30.2 | Very low | 35 | Very low | 187 Ų | 187 | 156.3 Ų | 156.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -62 | 163.4 | 156.6 | -81.1 | 177.7 | -79 | 0 | 0 | 111.3 | | |
| 211 | S | 32.5 | Very low | 34.9 | Very low | 112 Ų | 112 | 151.9 Ų | 151.9 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | 107 | 105.4 | 157.2 | -171.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 212 | S | 34.5 | Very low | 34.4 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | | 178 | 113.5 | 107.6 | 39.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 213 | E | 29.9 | Very low | 34.4 | Very low | 193 Ų | 193 | 150.9 Ų | 150.9 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | | | trans | -60.7 | 127.1 | 155.3 | -63.6 | 179.1 | 133.1 | 0 | 0 | 108.5 | | |
| 214 | Q | 34.6 | Very low | 34.4 | Very low | 186 Ų | 186 | 150.7 Ų | 150.7 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | | | trans | -165.9 | 96.1 | 145.1 | -108.3 | 173 | 17.4 | 0 | 0 | 111.5 | | |
| 215 | K | 35.5 | Very low | 34.3 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | | | | 43.7 | 96.6 | 121.4 | -152.7 | 175 | -169.5 | 177.7 | 0 | 116.3 | | |
| 216 | K | 35.3 | Very low | 34 | Very low | 208 Ų | 208 | 145.6 Ų | 145.6 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | trans | -134.5 | 103.8 | 147.9 | -153.9 | 174.9 | -176.9 | -166.9 | 0 | 109.7 | | |
| 217 | L | 35.3 | Very low | 34 | Very low | 138 Ų | 138 | 145 Ų | 145 | 72% | 0.723 | 81% | 0.806 | S | S | * | * | | | trans | -60.5 | 137.9 | 167.3 | -67.3 | 156.3 | 0 | 0 | 0 | 108.6 | | |
| 218 | T | 35.2 | Very low | 33.9 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | | 167.7 | 142.1 | 103 | -53 | 0 | 0 | 0 | 0 | 108.7 | | |
| 219 | E | 35.7 | Very low | 34 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 97.8 | 122.7 | 154.8 | -139.6 | 161.7 | -174.3 | 0 | 0 | 117.9 | | |
| 220 | N | 38.8 | Very low | 33.8 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | 91.9 | 98.5 | 177.3 | -53.6 | -31.2 | 0 | 0 | 0 | 115.9 | | |
| 221 | G | 29.9 | Very low | 33.8 | Very low | 87 Ų | 87 | 145.9 Ų | 145.9 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | | | trans | -65.6 | 133.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 222 | S | 29.6 | Very low | 33.7 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -115.7 | 113.3 | 161.6 | -176.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 223 | I | 34.7 | Very low | 33.6 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | | | trans | -95.7 | 94 | 165.2 | -61.1 | 173.7 | 0 | 0 | 0 | 105.5 | G225 | I223-G225 PolarHBondContact O-N 3.44Å; I223-G225 VanDerWaalsContact O-N 3.11Å |
| 224 | E | 37.8 | Very low | 33.8 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -76.1 | 91.3 | 169.9 | -164.6 | 173.3 | -169.8 | 0 | 0 | 108.2 | T226 | E224-T226 PolarHBondContact O-N 3.42Š|
| 225 | G | 31.8 | Very low | 33.7 | Very low | 61 Ų | 61 | 139.6 Ų | 139.6 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | | | trans | -82 | 95.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | I223 I227 | I223-G225 PolarHBondContact O-N 3.44Å; I223-G225 VanDerWaalsContact O-N 3.11Å; G225-I227 PolarHBondContact O-N 3.12Å; G225-I227 VanDerWaalsContact O-N 3.14Å |
| 226 | T | 32.2 | Very low | 33.7 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | | | trans | -69.2 | 102.9 | 167.3 | -45.7 | 0 | 0 | 0 | 0 | 109.5 | E224 K228 | E224-T226 PolarHBondContact O-N 3.42Å; T226-K228 PolarHBondContact O-N 3.2Å |
| 227 | I | 34.6 | Very low | 33.8 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | trans | -77.9 | 103.4 | 169.5 | -60.8 | 176.2 | 0 | 0 | 0 | 108.2 | G225 T229 | G225-I227 PolarHBondContact O-N 3.12Å; G225-I227 VanDerWaalsContact O-N 3.14Å; I227-T229 PolarHBondContact O-N 3.35Å |
| 228 | K | 34.3 | Very low | 34 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -84.9 | 100.3 | 167.9 | -163.1 | 176.8 | -173.4 | -178.6 | 0 | 107.9 | T226 T230 | T226-K228 PolarHBondContact O-N 3.2Å; K228-T230 PolarHBondContact O-N 2.92Å |
| 229 | T | 33.2 | Very low | 34.1 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | | | trans | -72 | 97.9 | 175.6 | -41.7 | 0 | 0 | 0 | 0 | 109.6 | I227 Y231 | I227-T229 PolarHBondContact O-N 3.35Å; T229-Y231 HydrophobicContact CG2-CE2 4.48Å |
| 230 | T | 33.6 | Very low | 34.1 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | trans | -86.4 | 113.9 | 168.3 | -50.1 | 0 | 0 | 0 | 0 | 108.4 | K228 S232 | K228-T230 PolarHBondContact O-N 2.92Å; T230-S232 PolarHBondContact O-N 3.34Å; T230-S232 VanDerWaalsContact O-N 3.17Å |
| 231 | Y | 31.5 | Very low | 34.1 | Very low | 215 Ų | 215 | 133 Ų | 133 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -69.6 | 107.7 | 166.6 | -74.6 | -93.5 | 0 | 0 | 0 | 108 | T229 | T229-Y231 HydrophobicContact CG2-CE2 4.48Š|
| 232 | S | 30 | Very low | 34.4 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | trans | -92.5 | 101.3 | 165.5 | -61.6 | 0 | 0 | 0 | 0 | 107.4 | T230 S234 | T230-S232 PolarHBondContact O-N 3.34Å; T230-S232 VanDerWaalsContact O-N 3.17Å; S232-S234 PolarHBondContact O-N 3.34Å |
| 233 | S | 31.7 | Very low | 34.8 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -79.1 | 103.1 | 162.1 | 47 | 0 | 0 | 0 | 0 | 107.4 | D235 | S233-D235 PolarHBondContact O-N 3.14Š|
| 234 | S | 34.9 | Very low | 35 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | -75.1 | 110.7 | 172.7 | -46.8 | 0 | 0 | 0 | 0 | 108.9 | S232 N236 | S232-S234 PolarHBondContact O-N 3.34Å; S234-N236 PolarHBondContact O-N 2.96Å |
| 235 | D | 32.9 | Very low | 34.9 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | -58.4 | 127.4 | 165.6 | -74.2 | -46.5 | 0 | 0 | 0 | 110.3 | S233 | S233-D235 PolarHBondContact O-N 3.14Š|
| 236 | N | 34.2 | Very low | 35.3 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | trans | -152.2 | 93.7 | 159.6 | -92.9 | -24.7 | 0 | 0 | 0 | 107.9 | S234 | S234-N236 PolarHBondContact O-N 2.96Š|
| 237 | S | 36.9 | Very low | 35.7 | Very low | 129 Ų | 129 | 144 Ų | 144 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | | | trans | -160.1 | 97 | 149.7 | -77.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 238 | A | 39.5 | Very low | 35.9 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | trans | -71.3 | 154.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 239 | E | 37.2 | Very low | 36 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | 70.6 | 137.8 | 163.1 | -62.2 | -164.2 | 134.9 | 0 | 0 | 115.4 | | |
| 240 | L | 37 | Very low | 36.5 | Very low | 127 Ų | 127 | 139 Ų | 139 | 67% | 0.665 | 78% | 0.78 | S | S | * | * | | | cis | -167.3 | 148 | 24.5 | -124.5 | 151.9 | 0 | 0 | 0 | 107.4 | | |
| 241 | E | 38.6 | Very low | 36.7 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | trans | 69.2 | 134.8 | 162 | -47.7 | -160.8 | 152.7 | 0 | 0 | 117.7 | | |
| 242 | N | 36.5 | Very low | 37.3 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | cis | -160.6 | 148.9 | 32.7 | -144.8 | -19.4 | 0 | 0 | 0 | 110.4 | | |
| 243 | R | 36.7 | Very low | 37.8 | Very low | 233 Ų | 233 | 137.6 Ų | 137.6 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | trans | -76.3 | 133.2 | -170 | -60.4 | 173.5 | 173.4 | -152.8 | -2.3 | 112.3 | | |
| 244 | K | 38.9 | Very low | 38.2 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | | | trans | -162.4 | 97.7 | 134.2 | -126 | 166.6 | -178.8 | 172.6 | 0 | 112 | | |
| 245 | S | 37.4 | Very low | 38.9 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -60.1 | 133.5 | 161.1 | -37.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 246 | I | 39.5 | Very low | 39.1 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | | | trans | -155.1 | 132.8 | 132.5 | -81.5 | 129.5 | 0 | 0 | 0 | 106.8 | | |
| 247 | S | 39.9 | Very low | 39.8 | Very low | 99 Ų | 99 | 132 Ų | 132 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | | | trans | -76.7 | 175.9 | -174.8 | 51.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 248 | S | 39.8 | Very low | 40.1 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | 88.8 | 99.6 | 150.4 | 55.9 | 0 | 0 | 0 | 0 | 120 | | |
| 249 | S | 36.6 | Very low | 40.6 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | | 92.6 | 134.5 | 117.4 | -59.6 | 0 | 0 | 0 | 0 | 120 | | |
| 250 | P | 42.4 | Very low | 40.8 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -99.2 | 147.1 | -176.5 | 38.4 | -31 | 0 | 0 | 0 | 112.4 | | |
| 251 | C | 39.6 | Very low | 41.2 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | | | trans | -160.6 | 123.4 | 167.3 | -76.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 252 | S | 44.1 | Very low | 41.3 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | 82.5 | 111.4 | 130.8 | -50.2 | 0 | 0 | 0 | 0 | 122.1 | | |
| 253 | D | 40.1 | Very low | 41.4 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | | | | 47.9 | 125.3 | 120.7 | -60.3 | -20.1 | 0 | 0 | 0 | 121.5 | | |
| 254 | G | 40 | Very low | 41.6 | Very low | 82 Ų | 82 | 126.4 Ų | 126.4 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | -167.3 | 86 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 255 | S | 48 | Very low | 41.4 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -74.9 | 157.4 | 177.5 | -54.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 256 | G | 39.2 | Very low | 41.6 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | 112.5 | 138.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 257 | S | 47.6 | Very low | 41.5 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | cis | -163.2 | 160.2 | -6 | 62 | 0 | 0 | 0 | 0 | 107.6 | | |
| 258 | D | 42.9 | Very low | 41.6 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | | | trans | -58.7 | 151.9 | 176.5 | -62.4 | -63.9 | 0 | 0 | 0 | 114.6 | | |
| 259 | D | 49.7 | Very low | 41.5 | Very low | 167 Ų | 167 | 121.8 Ų | 121.8 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | | | | -172.9 | 116.5 | 118.7 | -91.7 | -24.9 | 0 | 0 | 0 | 110.6 | | |
| 260 | G | 41.4 | Very low | 41.8 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 66% | 0.66 | 81% | 0.814 | S | S | * | * | | | trans | -87.1 | 158.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 261 | T | 45.8 | Very low | 41.9 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 93% | 0.933 | 81% | 0.809 | S | S | * | * | | | trans | -171.6 | 143.2 | 141.1 | 24 | 0 | 0 | 0 | 0 | 109.7 | | |
| 262 | T | 41.8 | Very low | 42.3 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 71% | 0.712 | 81% | 0.811 | S | S | * | * | | | trans | -109.4 | 161.6 | -169.1 | 43.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 263 | F | 37.1 | Very low | 42.3 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | trans | 73.1 | 123 | 158.2 | -65.3 | -74.5 | 0 | 0 | 0 | 119.3 | | |
| 264 | S | 41.4 | Very low | 42.5 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | | 175.3 | 140.8 | 97.9 | -72.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 265 | S | 34.8 | Very low | 42.8 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -67.4 | 153.6 | 177.3 | -45.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 266 | S | 41.1 | Very low | 42.6 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | trans | -160.7 | 132.8 | 148.2 | -81.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 267 | A | 37.6 | Very low | 42.9 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | trans | -94.5 | 174 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 268 | N | 41.5 | Very low | 42.8 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | | | trans | 97.5 | 127.1 | 167.8 | -71.2 | -2.4 | 0 | 0 | 0 | 118.5 | | |
| 269 | G | 39.6 | Very low | 42.8 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | 145.5 | 104.8 | 135.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 270 | H | 41.5 | Very low | 42.4 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | | | trans | 85 | 106.5 | 139.2 | -79.3 | -63.6 | 0 | 0 | 0 | 123.3 | | |
| 271 | D | 45.1 | Very low | 42.8 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | | | | 41.1 | 126 | 116.6 | -61.9 | -52.7 | 0 | 0 | 0 | 121.6 | | |
| 272 | N | 47.1 | Very low | 42.7 | Very low | 166 Ų | 166 | 131.2 Ų | 131.2 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | | -176.9 | 134.6 | 106.7 | -91.2 | -37.7 | 0 | 0 | 0 | 113.8 | | |
| 273 | N | 44.1 | Very low | 42.8 | Very low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | trans | -60.5 | 156 | 168.4 | -93.5 | -32.3 | 0 | 0 | 0 | 113.5 | | |
| 274 | D | 46.1 | Very low | 43.2 | Very low | 146 Ų | 146 | 131 Ų | 131 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | | | | -171.7 | 135 | 116.7 | -127.2 | -39.2 | 0 | 0 | 0 | 116.1 | | |
| 275 | S | 46.3 | Very low | 43.3 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | | | trans | 58.5 | 114.6 | 143.8 | -69.6 | 0 | 0 | 0 | 0 | 123 | | |
| 276 | Q | 43.7 | Very low | 43.7 | Very low | 192 Ų | 192 | 129.8 Ų | 129.8 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | | | | 65.6 | 143.9 | 87.2 | -78.6 | -161.1 | -8.2 | 0 | 0 | 115.6 | | |
| 277 | A | 44.7 | Very low | 43.7 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 63% | 0.628 | 77% | 0.774 | S | S | * | * | | | cis | -176.6 | 164.4 | -12.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 278 | K | 44.7 | Very low | 43.7 | Very low | 194 Ų | 194 | 129 Ų | 129 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | | | trans | 72.5 | 125.1 | 153.5 | -61 | 176.7 | 179.6 | 179.9 | 0 | 121.2 | | |
| 279 | S | 44 | Very low | 43.7 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | | | | 167.6 | 151.4 | 99.9 | -66 | 0 | 0 | 0 | 0 | 112.7 | | |
| 280 | A | 41.2 | Very low | 43.7 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | | | trans | -109.2 | -170.5 | -160.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 281 | S | 48.8 | Very low | 43.6 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | 97.5 | 139.5 | 164.2 | 83 | 0 | 0 | 0 | 0 | 115.3 | | |
| 282 | S | 44.5 | Very low | 43.4 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | cis | -167 | 146.6 | 21.6 | 35.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 283 | N | 44.7 | Very low | 43 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -2.9 | 145.8 | 153.3 | -52.3 | -12.6 | 0 | 0 | 0 | 123.2 | | |
| 284 | D | 44.7 | Very low | 42.9 | Very low | 143 Ų | 143 | 124 Ų | 124 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | | | | -179.7 | 120.6 | 107.9 | -117.5 | -17.3 | 0 | 0 | 0 | 110.3 | | |
| 285 | S | 44 | Very low | 42.4 | Very low | 89 Ų | 89 | 125.8 Ų | 125.8 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | | | | 62.9 | 133.6 | 90.8 | -47.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 286 | T | 43.5 | Very low | 42.2 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | cis | 179.5 | 152 | 16.9 | 7.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 287 | S | 40.7 | Very low | 42.2 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | 60.3 | 147.4 | 142 | 60.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 288 | S | 38.3 | Very low | 42.3 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | | | cis | 174.5 | 145.8 | 2.1 | 42 | 0 | 0 | 0 | 0 | 108.7 | | |
| 289 | S | 40.8 | Very low | 42 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | 59.3 | 152.7 | 147.4 | 72.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 290 | A | 40 | Very low | 41.8 | Very low | 90 Ų | 90 | 123.2 Ų | 123.2 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | | | cis | -158.6 | 160.8 | 20.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 291 | C | 37.9 | Very low | 42.1 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | trans | -55.2 | 147.8 | 165.1 | 49 | 0 | 0 | 0 | 0 | 114.5 | | |
| 292 | E | 41.2 | Very low | 41.7 | Very low | 181 Ų | 181 | 128.3 Ų | 128.3 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | -170.2 | 116.8 | 134 | -109.9 | 176.8 | 116.9 | 0 | 0 | 112.2 | | |
| 293 | S | 39.8 | Very low | 41.8 | Very low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | trans | 39.6 | 124.6 | 133 | -47.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 294 | T | 40.3 | Very low | 42 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | | | trans | -157.1 | 104.4 | 130.9 | 2.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 295 | E | 35.7 | Very low | 42.3 | Very low | 184 Ų | 184 | 127.1 Ų | 127.1 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -79.1 | 146 | 162.8 | -57.8 | -179.6 | 121.6 | 0 | 0 | 109.4 | | |
| 296 | T | 42.9 | Very low | 42.5 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -178 | 111 | 144.2 | 27.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 297 | S | 44.6 | Very low | 42.9 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | | 85.9 | 114.8 | 65.5 | -177.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 298 | S | 46.9 | Very low | 43.4 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | 131.8 | 109.2 | 155 | 69.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 299 | G | 36.9 | Very low | 43.7 | Very low | 68 Ų | 68 | 137.3 Ų | 137.3 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | cis | 107 | 103.2 | 21.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 300 | E | 40.1 | Very low | 44.1 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | | | trans | 62.6 | 142.4 | 150.4 | -38.4 | -164.5 | 137.4 | 0 | 0 | 115.9 | | |
| 301 | T | 46.8 | Very low | 44.2 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | | -170.2 | 160.3 | 50.9 | 20 | 0 | 0 | 0 | 0 | 110.3 | | |
| 302 | E | 41.3 | Very low | 44.9 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | trans | -53.9 | 142.5 | 175.6 | -50.9 | 178.2 | 125.5 | 0 | 0 | 113.8 | | |
| 303 | S | 46.2 | Very low | 45.3 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -140.4 | 110.8 | 153.1 | 50.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 304 | S | 48.5 | Very low | 45.2 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -82.6 | 130.4 | 167.9 | 45.8 | 0 | 0 | 0 | 0 | 110 | | |
| 305 | D | 52.6 | Low | 45.6 | Very low | 152 Ų | 152 | 147 Ų | 147 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | -150.5 | 95.1 | 157.8 | -75.8 | -45.4 | 0 | 0 | 0 | 104.7 | | |
| 306 | D | 48.3 | Very low | 45.7 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | | | | 62.7 | 89.4 | 68.1 | -146.3 | 6.9 | 0 | 0 | 0 | 112.4 | | |
| 307 | Y | 51.6 | Low | 45.9 | Very low | 229 Ų | 229 | 141.9 Ų | 141.9 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | | | trans | -151.3 | 85.8 | 148.3 | -87.8 | -72.2 | 0 | 0 | 0 | 108.8 | | |
| 308 | D | 50.7 | Low | 45.6 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | | | | 15.6 | 115.1 | 128 | -95.1 | -29.1 | 0 | 0 | 0 | 116.5 | | |
| 309 | Q | 44.3 | Very low | 45.5 | Very low | 155 Ų | 155 | 143 Ų | 143 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | | | | 92 | 87.1 | 82.5 | -173 | -179.1 | 121.2 | 0 | 0 | 111.7 | | |
| 310 | E | 50.1 | Low | 45.6 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | | | trans | -151 | 103.4 | 137.7 | -71.8 | -145.9 | 133.3 | 0 | 0 | 107.5 | | |
| 311 | R | 42.7 | Very low | 45.9 | Very low | 218 Ų | 218 | 143 Ų | 143 | 82% | 0.823 | 77% | 0.766 | S | S | * | * | | | | 46.6 | 106.8 | 102.3 | -69.7 | 176.7 | 168.3 | -129 | -0.6 | 110.1 | | |
| 312 | S | 51.9 | Low | 45.6 | Very low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | | 175.5 | 124.8 | 76.9 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 313 | R | 49 | Very low | 45.9 | Very low | 233 Ų | 233 | 137.8 Ų | 137.8 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | trans | 61.8 | 101 | 135.6 | -60.5 | 177.4 | 176.9 | 179.7 | -1.6 | 118.3 | | |
| 314 | C | 38.1 | Very low | 46 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | | | trans | -54.2 | 138.7 | 142.5 | -50.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 315 | P | 49.6 | Very low | 45.9 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | | | trans | -94.7 | 86.8 | 145.2 | 31.5 | -20.7 | 0 | 0 | 0 | 107.4 | S317 | P315-S317 PolarHBondContact O-N 3.42Š|
| 316 | T | 36.5 | Very low | 45.6 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | trans | -75.8 | 76.4 | 158.7 | -19.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 317 | S | 46.9 | Very low | 45.5 | Very low | 85 Ų | 85 | 134 Ų | 134 | 59% | 0.594 | 75% | 0.751 | S | S | * | * | | | trans | -112.6 | 88.5 | 169.8 | 41.8 | 0 | 0 | 0 | 0 | 108.3 | P315 S319 | P315-S317 PolarHBondContact O-N 3.42Å; S317-S319 VanDerWaalsContact C-N 3.26Å; S317-S319 PolarHBondContact O-N 2.91Å |
| 318 | I | 38 | Very low | 45.6 | Very low | 165 Ų | 165 | 127 Ų | 127 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | | | trans | -60 | 96 | 150.3 | 18.7 | 173.8 | 0 | 0 | 0 | 106.2 | | |
| 319 | S | 45 | Very low | 46 | Very low | 90 Ų | 90 | 131.7 Ų | 131.7 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | | | trans | -113.8 | 102.2 | 165.6 | -67.3 | 0 | 0 | 0 | 0 | 106.3 | S317 S321 | S317-S319 VanDerWaalsContact C-N 3.26Å; S317-S319 PolarHBondContact O-N 2.91Å; S319-S321 PolarHBondContact O-N 3.11Å |
| 320 | D | 40.4 | Very low | 46.7 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | | | trans | -59.4 | 91 | 164.3 | -70.7 | -45.1 | 0 | 0 | 0 | 108.1 | | |
| 321 | S | 44.8 | Very low | 47 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | | | trans | -116.4 | 89 | 167.4 | -66.3 | 0 | 0 | 0 | 0 | 106.9 | S319 S323 | S319-S321 PolarHBondContact O-N 3.11Å; S321-S323 PolarHBondContact O-N 3.32Å; S321-S323 PolarHBondContact O-OG 3.14Å |
| 322 | S | 42.1 | Very low | 47.9 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | | | trans | -56.5 | 75.9 | 163.6 | -41.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 323 | S | 46.7 | Very low | 48.8 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 57% | 0.566 | 72% | 0.715 | S | S | * | * | | | trans | -117.8 | 91.9 | 168.1 | 46.2 | 0 | 0 | 0 | 0 | 105.3 | S321 S325 | S321-S323 PolarHBondContact O-N 3.32Å; S321-S323 PolarHBondContact O-OG 3.14Å; S323-S325 PolarHBondContact O-N 3.32Å |
| 324 | S | 48.1 | Very low | 50 | Low | 120 Ų | 120 | 118.5 Ų | 118.5 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | | | trans | -61.2 | 70.4 | 162.4 | 50.1 | 0 | 0 | 0 | 0 | 108.4 | S326 | S324-S326 VanDerWaalsContact C-N 3.31Å; S324-S326 PolarHBondContact O-N 3.12Å; S324-S326 VanDerWaalsContact O-N 3.12Å |
| 325 | S | 46.3 | Very low | 51.8 | Low | 93 Ų | 93 | 116.9 Ų | 116.9 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | | | trans | -78.2 | 94.9 | 167.3 | -56.7 | 0 | 0 | 0 | 0 | 104.3 | S323 S327 | S323-S325 PolarHBondContact O-N 3.32Å; S325-S327 PolarHBondContact O-N 3.18Å |
| 326 | S | 47.2 | Very low | 53.2 | Low | 115 Ų | 115 | 116 Ų | 116 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | | | trans | -56 | 78.3 | 162.4 | -62.4 | 0 | 0 | 0 | 0 | 108 | S324 S328 | S324-S326 VanDerWaalsContact C-N 3.31Å; S324-S326 PolarHBondContact O-N 3.12Å; S324-S326 VanDerWaalsContact O-N 3.12Å; S326-S328 PolarHBondContact O-N 3.17Å |
| 327 | S | 46.8 | Very low | 55.4 | Low | 94 Ų | 94 | 114.8 Ų | 114.8 | 66% | 0.657 | 66% | 0.664 | S | S | * | * | | | trans | -73.9 | 76.5 | 164 | -167.5 | 0 | 0 | 0 | 0 | 104.6 | S325 R329 | S325-S327 PolarHBondContact O-N 3.18Å; S327-R329 PolarHBondContact O-N 3.38Å |
| 328 | S | 52.9 | Low | 57.1 | Low | 82 Ų | 82 | 112.9 Ų | 112.9 | 57% | 0.573 | 65% | 0.651 | S | S | * | * | | | trans | -57 | 92.7 | 153 | 54.5 | 0 | 0 | 0 | 0 | 104.2 | S326 M330 | S326-S328 PolarHBondContact O-N 3.17Å; S328-M330 PolarHBondContact O-N 2.9Å |
| 329 | R | 58.7 | Low | 59.4 | Low | 217 Ų | 217 | 109.8 Ų | 109.8 | 82% | 0.819 | 64% | 0.636 | S | S | * | * | | | trans | -60.6 | 86.1 | 157 | -74.3 | -176.3 | -177 | -177 | -0.5 | 103.4 | S327 F331 | S327-R329 PolarHBondContact O-N 3.38Å; R329-F331 PolarHBondContact O-N 3.41Å |
| 330 | M | 58.6 | Low | 61.4 | Low | 158 Ų | 158 | 108.1 Ų | 108.1 | 78% | 0.778 | 63% | 0.628 | S | S | * | * | | | trans | -55.9 | 104.1 | 159.4 | -70.7 | -92.1 | 135 | 0 | 0 | 102.1 | S328 S332 | S328-M330 PolarHBondContact O-N 2.9Å; M330-S332 PolarHBondContact O-N 2.87Å |
| 331 | F | 57.6 | Low | 63.6 | Low | 147 Ų | 147 | 104.3 Ų | 104.3 | 65% | 0.645 | 61% | 0.61 | S | S | * | * | | | trans | -48.4 | 118.5 | 166.1 | -77.7 | -85.2 | 0 | 0 | 0 | 105 | R329 T333 L336 | R329-F331 PolarHBondContact O-N 3.41Å; F331-T333 PolarHBondContact O-N 3.07Å; F331-L336 HydrophobicContact CB-CD1 4.42Å; F331-L336 HydrophobicContact CB-CD2 4.45Å; F331-L336 HydrophobicContact CB-CG 4.28Å |
| 332 | S | 60.4 | Low | 65.8 | Low | 56 Ų | 56 | 103.1 Ų | 103.1 | 39% | 0.392 | 60% | 0.602 | S | S | . | * | | | trans | -58.2 | 135.9 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 105.7 | M330 F334 D335 L336 | M330-S332 PolarHBondContact O-N 2.87Å; S332-F334 PolarHBondContact O-N 3.36Å; S332-F334 VanDerWaalsContact OG-CB 3.27Å; S332-F334 WeakPolarHBondContact OG-CB 3.45Å; S332-F334 PolarHBondContact OG-N 2.96Å; S332-D335 WeakPolarHBondContact CB-OD2 3.45Å; S332-D335 PolarHBondContact N-OD2 3.22Å; S332-D335 WeakPolarHBondContact O-CB 3.48Å; S332-D335 PolarHBondContact O-N 3.13Å; S332-L336 PolarHBondContact O-N 2.94Å |
| 333 | T | 71 | Confident | 68.1 | Low | 108 Ų | 108 | 102.6 Ų | 102.6 | 66% | 0.663 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -52.9 | -28.2 | 171.6 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | F331 L336 D337 | F331-T333 PolarHBondContact O-N 3.07Å; T333-L336 PolarHBondContact O-N 3.45Å; T333-D337 WeakPolarHBondContact O-CB 3.44Å; T333-D337 PolarHBondContact O-N 3.29Å |
| 334 | F | 74.5 | Confident | 70.2 | Confident | 142 Ų | 142 | 104 Ų | 104 | 62% | 0.623 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.5 | -36.8 | 172.5 | -166.9 | -96.3 | 0 | 0 | 0 | 114.4 | S332 S338 | S332-F334 PolarHBondContact O-N 3.36Å; S332-F334 VanDerWaalsContact OG-CB 3.27Å; S332-F334 WeakPolarHBondContact OG-CB 3.45Å; S332-F334 PolarHBondContact OG-N 2.96Å; F334-S338 VanDerWaalsContact O-CB 3.3Å; F334-S338 WeakPolarHBondContact O-CB 3.46Å; F334-S338 PolarHBondContact O-N 3.28Å; F334-S338 PolarHBondContact O-OG 3.02Å |
| 335 | D | 75.9 | Confident | 72.1 | Confident | 77 Ų | 77 | 101.5 Ų | 101.5 | 41% | 0.412 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.6 | -41.9 | 177.9 | -62.9 | -29.9 | 0 | 0 | 0 | 110.1 | S332 S338 D339 | S332-D335 WeakPolarHBondContact CB-OD2 3.45Å; S332-D335 PolarHBondContact N-OD2 3.22Å; S332-D335 WeakPolarHBondContact O-CB 3.48Å; S332-D335 PolarHBondContact O-N 3.13Å; D335-S338 PolarHBondContact O-N 3.44Å; D335-D339 PolarHBondContact O-N 3.33Å |
| 336 | L | 79.1 | Confident | 74.3 | Confident | 96 Ų | 96 | 101.1 Ų | 101.1 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.9 | -39.8 | 177.4 | -63.2 | 178.2 | 0 | 0 | 0 | 112.1 | F331 S332 T333 S338 D339 A340 | F331-L336 HydrophobicContact CB-CD1 4.42Å; F331-L336 HydrophobicContact CB-CD2 4.45Å; F331-L336 HydrophobicContact CB-CG 4.28Å; S332-L336 PolarHBondContact O-N 2.94Å; T333-L336 PolarHBondContact O-N 3.45Å; L336-S338 VanDerWaalsContact C-N 3.35Å; L336-D339 PolarHBondContact O-N 3.33Å; L336-A340 VanDerWaalsContact O-CB 3.29Å; L336-A340 WeakPolarHBondContact O-CB 3.43Å; L336-A340 PolarHBondContact O-N 3.46Å |
| 337 | D | 82.6 | Confident | 76.4 | Confident | 103 Ų | 103 | 98.3 Ų | 98.3 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.9 | -36.1 | 175.8 | -70.1 | -27.9 | 0 | 0 | 0 | 111.5 | T333 A340 T341 | T333-D337 WeakPolarHBondContact O-CB 3.44Å; T333-D337 PolarHBondContact O-N 3.29Å; D337-A340 PolarHBondContact O-N 2.89Å; D337-T341 WeakPolarHBondContact O-CG2 3.46Å; D337-T341 PolarHBondContact O-N 3.5Å; D337-T341 PolarHBondContact O-OG1 3.47Å |
| 338 | S | 82.4 | Confident | 78.6 | Confident | 46 Ų | 46 | 98.6 Ų | 98.6 | 32% | 0.322 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 175.1 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | F334 D335 L336 T341 S342 | F334-S338 VanDerWaalsContact O-CB 3.3Å; F334-S338 WeakPolarHBondContact O-CB 3.46Å; F334-S338 PolarHBondContact O-N 3.28Å; F334-S338 PolarHBondContact O-OG 3.02Å; D335-S338 PolarHBondContact O-N 3.44Å; L336-S338 VanDerWaalsContact C-N 3.35Å; S338-T341 WeakPolarHBondContact CA-OG1 3.46Å; S338-T341 PolarHBondContact O-N 3.41Å; S338-T341 PolarHBondContact O-OG1 3.39Å; S338-S342 WeakPolarHBondContact O-CB 3.49Å; S338-S342 PolarHBondContact O-N 2.88Å |
| 339 | D | 87.3 | Confident | 80.5 | Confident | 99 Ų | 99 | 97.8 Ų | 97.8 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.4 | -76 | -15.6 | 0 | 0 | 0 | 111.4 | D335 L336 S342 L343 | D335-D339 PolarHBondContact O-N 3.33Å; L336-D339 PolarHBondContact O-N 3.33Å; D339-S342 PolarHBondContact O-N 3.39Å; D339-L343 WeakPolarHBondContact O-CB 3.42Å; D339-L343 VanDerWaalsContact O-CG 3.28Å; D339-L343 WeakPolarHBondContact O-CG 3.5Å; D339-L343 PolarHBondContact O-N 2.91Å |
| 340 | A | 86.7 | Confident | 82.1 | Confident | 55 Ų | 55 | 91.8 Ų | 91.8 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L336 D337 L343 Q344 | L336-A340 VanDerWaalsContact O-CB 3.29Å; L336-A340 WeakPolarHBondContact O-CB 3.43Å; L336-A340 PolarHBondContact O-N 3.46Å; D337-A340 PolarHBondContact O-N 2.89Å; A340-L343 PolarHBondContact O-N 3.47Å; A340-Q344 WeakPolarHBondContact O-CB 3.37Å; A340-Q344 PolarHBondContact O-N 3.29Å |
| 341 | T | 87.1 | Confident | 83.8 | Confident | 80 Ų | 80 | 89.7 Ų | 89.7 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 176.5 | 51.4 | 0 | 0 | 0 | 0 | 112 | D337 S338 Q344 C345 | D337-T341 WeakPolarHBondContact O-CG2 3.46Å; D337-T341 PolarHBondContact O-N 3.5Å; D337-T341 PolarHBondContact O-OG1 3.47Å; S338-T341 WeakPolarHBondContact CA-OG1 3.46Å; S338-T341 PolarHBondContact O-N 3.41Å; S338-T341 PolarHBondContact O-OG1 3.39Å; T341-Q344 WeakPolarHBondContact O-CB 3.34Å; T341-Q344 PolarHBondContact O-N 2.93Å; T341-C345 PolarHBondContact O-N 3.34Å; T341-C345 PolarHBondContact O-SG 3.28Å; T341-C345 VanDerWaalsContact O-SG 3.38Å |
| 342 | S | 89.5 | Confident | 85.5 | Confident | 67 Ų | 67 | 88.3 Ų | 88.3 | 47% | 0.469 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 173.7 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | S338 D339 Q344 C345 D346 | S338-S342 WeakPolarHBondContact O-CB 3.49Å; S338-S342 PolarHBondContact O-N 2.88Å; D339-S342 PolarHBondContact O-N 3.39Å; S342-Q344 VanDerWaalsContact C-N 3.3Å; S342-Q344 PolarHBondContact O-N 3.31Å; S342-C345 PolarHBondContact O-N 2.93Å; S342-D346 PolarHBondContact O-N 3.28Å |
| 343 | L | 90.1 | Very high | 87.1 | Confident | 119 Ų | 119 | 93.1 Ų | 93.1 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -36.1 | 176.9 | -72.9 | 172.6 | 0 | 0 | 0 | 112.1 | D339 A340 D346 S347 | D339-L343 WeakPolarHBondContact O-CB 3.42Å; D339-L343 VanDerWaalsContact O-CG 3.28Å; D339-L343 WeakPolarHBondContact O-CG 3.5Å; D339-L343 PolarHBondContact O-N 2.91Å; A340-L343 PolarHBondContact O-N 3.47Å; L343-D346 PolarHBondContact O-N 3.05Å; L343-S347 WeakPolarHBondContact O-CB 3.49Å; L343-S347 PolarHBondContact O-N 3.4Å |
| 344 | Q | 91.3 | Very high | 88.2 | Confident | 110 Ų | 110 | 91.7 Ų | 91.7 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 173.9 | -174.2 | 179.6 | -19.1 | 0 | 0 | 110.8 | A340 T341 S342 D346 S347 E348 | A340-Q344 WeakPolarHBondContact O-CB 3.37Å; A340-Q344 PolarHBondContact O-N 3.29Å; T341-Q344 WeakPolarHBondContact O-CB 3.34Å; T341-Q344 PolarHBondContact O-N 2.93Å; S342-Q344 VanDerWaalsContact C-N 3.3Å; S342-Q344 PolarHBondContact O-N 3.31Å; Q344-D346 VanDerWaalsContact C-N 3.33Å; Q344-D346 PolarHBondContact O-N 3.47Å; Q344-S347 PolarHBondContact O-N 3.24Å; Q344-S347 VanDerWaalsContact O-N 3.16Å; Q344-S347 PolarHBondContact O-OG 3.02Å; Q344-E348 PolarHBondContact NE2-OE1 2.96Å; Q344-E348 VanDerWaalsContact NE2-OE1 3.12Å; Q344-E348 WeakPolarHBondContact O-CG 3.49Å; Q344-E348 PolarHBondContact O-N 3.45Å |
| 345 | C | 88.6 | Confident | 89.3 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 46% | 0.459 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 175.6 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | T341 S342 S347 E348 I349 | T341-C345 PolarHBondContact O-N 3.34Å; T341-C345 PolarHBondContact O-SG 3.28Å; T341-C345 VanDerWaalsContact O-SG 3.38Å; S342-C345 PolarHBondContact O-N 2.93Å; C345-S347 VanDerWaalsContact C-N 3.32Å; C345-S347 PolarHBondContact O-N 3.5Å; C345-E348 PolarHBondContact O-N 2.85Å; C345-I349 WeakPolarHBondContact O-CB 3.48Å; C345-I349 WeakPolarHBondContact O-CD1 3.42Å; C345-I349 WeakPolarHBondContact O-CG1 3.36Å; C345-I349 PolarHBondContact O-N 2.97Å |
| 346 | D | 92.3 | Very high | 90.2 | Very high | 85 Ų | 85 | 88.9 Ų | 88.9 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 176.6 | -80.5 | -21.2 | 0 | 0 | 0 | 112.2 | S342 L343 Q344 I349 L350 | S342-D346 PolarHBondContact O-N 3.28Å; L343-D346 PolarHBondContact O-N 3.05Å; Q344-D346 VanDerWaalsContact C-N 3.33Å; Q344-D346 PolarHBondContact O-N 3.47Å; D346-I349 PolarHBondContact O-N 3.28Å; D346-L350 VanDerWaalsContact O-CG 3.31Å; D346-L350 WeakPolarHBondContact O-CG 3.39Å; D346-L350 PolarHBondContact O-N 2.95Å |
| 347 | S | 91.7 | Very high | 91 | Very high | 56 Ų | 56 | 87.6 Ų | 87.6 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 175.9 | 75.3 | 0 | 0 | 0 | 0 | 112.1 | L343 Q344 C345 I349 L350 D351 | L343-S347 WeakPolarHBondContact O-CB 3.49Å; L343-S347 PolarHBondContact O-N 3.4Å; Q344-S347 PolarHBondContact O-N 3.24Å; Q344-S347 VanDerWaalsContact O-N 3.16Å; Q344-S347 PolarHBondContact O-OG 3.02Å; C345-S347 VanDerWaalsContact C-N 3.32Å; C345-S347 PolarHBondContact O-N 3.5Å; S347-I349 VanDerWaalsContact C-N 3.33Å; S347-I349 PolarHBondContact O-N 2.97Å; S347-L350 PolarHBondContact O-N 3.28Å; S347-L350 VanDerWaalsContact O-N 3.15Å; S347-D351 PolarHBondContact O-N 2.86Å |
| 348 | E | 92.4 | Very high | 91.7 | Very high | 99 Ų | 99 | 88.9 Ų | 88.9 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.5 | -69.8 | 177.3 | -166.5 | 0 | 0 | 111.3 | Q344 C345 D351 I352 | Q344-E348 PolarHBondContact NE2-OE1 2.96Å; Q344-E348 VanDerWaalsContact NE2-OE1 3.12Å; Q344-E348 WeakPolarHBondContact O-CG 3.49Å; Q344-E348 PolarHBondContact O-N 3.45Å; C345-E348 PolarHBondContact O-N 2.85Å; E348-D351 PolarHBondContact O-N 3.3Å; E348-I352 WeakPolarHBondContact O-CG1 3.5Å; E348-I352 PolarHBondContact O-N 3.5Å; E348-I352 VanDerWaalsContact O-N 3.16Å |
| 349 | I | 92.7 | Very high | 92.4 | Very high | 65 Ų | 65 | 94 Ų | 94 | 33% | 0.333 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 173.9 | -70.3 | 165.1 | 0 | 0 | 0 | 110.8 | C345 D346 S347 I352 R353 | C345-I349 WeakPolarHBondContact O-CB 3.48Å; C345-I349 WeakPolarHBondContact O-CD1 3.42Å; C345-I349 WeakPolarHBondContact O-CG1 3.36Å; C345-I349 PolarHBondContact O-N 2.97Å; D346-I349 PolarHBondContact O-N 3.28Å; S347-I349 VanDerWaalsContact C-N 3.33Å; S347-I349 PolarHBondContact O-N 2.97Å; I349-I352 PolarHBondContact O-N 3.33Å; I349-R353 HydrophobicContact CG2-CG 4.15Å; I349-R353 VanDerWaalsContact CG2-NE 3.31Å; I349-R353 WeakPolarHBondContact O-CB 3.47Å; I349-R353 VanDerWaalsContact O-CG 3.27Å; I349-R353 WeakPolarHBondContact O-CG 3.48Å; I349-R353 PolarHBondContact O-N 3.2Å |
| 350 | L | 92.3 | Very high | 92.8 | Very high | 92 Ų | 92 | 94.5 Ų | 94.5 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 177.4 | -73.7 | 174.1 | 0 | 0 | 0 | 111.7 | D346 S347 I352 R353 I354 | D346-L350 VanDerWaalsContact O-CG 3.31Å; D346-L350 WeakPolarHBondContact O-CG 3.39Å; D346-L350 PolarHBondContact O-N 2.95Å; S347-L350 PolarHBondContact O-N 3.28Å; S347-L350 VanDerWaalsContact O-N 3.15Å; L350-I352 PolarHBondContact O-N 2.9Å; L350-R353 PolarHBondContact O-N 3.46Å; L350-R353 VanDerWaalsContact O-N 3.13Å; L350-I354 HydrophobicContact CB-CD1 4.48Å; L350-I354 WeakPolarHBondContact O-CB 3.44Å; L350-I354 WeakPolarHBondContact O-CD1 3.42Å; L350-I354 VanDerWaalsContact O-CG1 3.22Å; L350-I354 WeakPolarHBondContact O-CG1 3.46Å; L350-I354 PolarHBondContact O-N 3.38Å |
| 351 | D | 94.6 | Very high | 93.3 | Very high | 114 Ų | 114 | 100.6 Ų | 100.6 | 61% | 0.61 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -30.1 | 176.2 | -79.2 | -17.8 | 0 | 0 | 0 | 112.8 | S347 E348 P355 | S347-D351 PolarHBondContact O-N 2.86Å; E348-D351 PolarHBondContact O-N 3.3Å; D351-P355 WeakPolarHBondContact O-CD 3.39Å; D351-P355 WeakPolarHBondContact O-CG 3.45Å |
| 352 | I | 93.5 | Very high | 93.8 | Very high | 117 Ų | 117 | 104 Ų | 104 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -81.1 | -43.1 | 171.9 | -62.7 | 165 | 0 | 0 | 0 | 111.4 | E348 I349 L350 P355 V356 | E348-I352 WeakPolarHBondContact O-CG1 3.5Å; E348-I352 PolarHBondContact O-N 3.5Å; E348-I352 VanDerWaalsContact O-N 3.16Å; I349-I352 PolarHBondContact O-N 3.33Å; L350-I352 PolarHBondContact O-N 2.9Å; I352-P355 VanDerWaalsContact O-CD 3.28Å; I352-P355 WeakPolarHBondContact O-CD 3.35Å; I352-P355 VanDerWaalsContact O-CG 3.29Å; I352-P355 WeakPolarHBondContact O-CG 3.43Å; I352-V356 VanDerWaalsContact O-CG2 3.28Å; I352-V356 WeakPolarHBondContact O-CG2 3.32Å; I352-V356 PolarHBondContact O-N 3.4Å |
| 353 | R | 93.8 | Very high | 94.1 | Very high | 157 Ų | 157 | 105.3 Ų | 105.3 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.9 | -42.6 | -175.2 | -78.2 | 179.1 | 179.3 | 174.7 | 2.9 | 112.5 | I349 L350 V356 V357 | I349-R353 HydrophobicContact CG2-CG 4.15Å; I349-R353 VanDerWaalsContact CG2-NE 3.31Å; I349-R353 WeakPolarHBondContact O-CB 3.47Å; I349-R353 VanDerWaalsContact O-CG 3.27Å; I349-R353 WeakPolarHBondContact O-CG 3.48Å; I349-R353 PolarHBondContact O-N 3.2Å; L350-R353 PolarHBondContact O-N 3.46Å; L350-R353 VanDerWaalsContact O-N 3.13Å; R353-V356 PolarHBondContact O-N 2.85Å; R353-V357 WeakPolarHBondContact O-CG2 3.39Å; R353-V357 PolarHBondContact O-N 2.88Å |
| 354 | I | 94.3 | Very high | 94.5 | Very high | 79 Ų | 79 | 107.3 Ų | 107.3 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.8 | -52.9 | -177.5 | -69.1 | 165.5 | 0 | 0 | 0 | 112.6 | L350 V356 V357 K358 | L350-I354 HydrophobicContact CB-CD1 4.48Å; L350-I354 WeakPolarHBondContact O-CB 3.44Å; L350-I354 WeakPolarHBondContact O-CD1 3.42Å; L350-I354 VanDerWaalsContact O-CG1 3.22Å; L350-I354 WeakPolarHBondContact O-CG1 3.46Å; L350-I354 PolarHBondContact O-N 3.38Å; I354-V356 VanDerWaalsContact C-N 3.33Å; I354-V356 PolarHBondContact O-N 3.3Å; I354-V357 PolarHBondContact O-N 3.39Å; I354-K358 HydrophobicContact CG2-CD 4.09Å; I354-K358 WeakPolarHBondContact O-CB 3.28Å; I354-K358 WeakPolarHBondContact O-CG 3.39Å; I354-K358 PolarHBondContact O-N 2.95Å |
| 355 | P | 96.3 | Very high | 94.7 | Very high | 71 Ų | 71 | 104.9 Ų | 104.9 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -35.1 | 178.7 | 23.8 | -32.7 | 0 | 0 | 0 | 112.5 | D351 I352 K358 K359 | D351-P355 WeakPolarHBondContact O-CD 3.39Å; D351-P355 WeakPolarHBondContact O-CG 3.45Å; I352-P355 VanDerWaalsContact O-CD 3.28Å; I352-P355 WeakPolarHBondContact O-CD 3.35Å; I352-P355 VanDerWaalsContact O-CG 3.29Å; I352-P355 WeakPolarHBondContact O-CG 3.43Å; P355-K358 PolarHBondContact O-N 2.9Å; P355-K359 WeakPolarHBondContact O-CB 3.38Å; P355-K359 PolarHBondContact O-N 3.45Å |
| 356 | V | 96.1 | Very high | 95.1 | Very high | 89 Ų | 89 | 109.3 Ų | 109.3 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -48.4 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | I352 R353 I354 K358 K359 L360 | I352-V356 VanDerWaalsContact O-CG2 3.28Å; I352-V356 WeakPolarHBondContact O-CG2 3.32Å; I352-V356 PolarHBondContact O-N 3.4Å; R353-V356 PolarHBondContact O-N 2.85Å; I354-V356 VanDerWaalsContact C-N 3.33Å; I354-V356 PolarHBondContact O-N 3.3Å; V356-K358 PolarHBondContact O-N 3.45Å; V356-K359 PolarHBondContact O-N 3.49Å; V356-L360 WeakPolarHBondContact O-CB 3.42Å; V356-L360 PolarHBondContact O-N 3.45Å |
| 357 | V | 96.4 | Very high | 95.3 | Very high | 68 Ų | 68 | 113.7 Ų | 113.7 | 41% | 0.412 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | R353 I354 K359 L360 R361 | R353-V357 WeakPolarHBondContact O-CG2 3.39Å; R353-V357 PolarHBondContact O-N 2.88Å; I354-V357 PolarHBondContact O-N 3.39Å; V357-K359 VanDerWaalsContact C-N 3.35Å; V357-K359 PolarHBondContact O-N 3.14Å; V357-L360 PolarHBondContact O-N 2.99Å; V357-R361 HydrophobicContact CG1-CG 4.5Å; V357-R361 WeakPolarHBondContact O-CG 3.39Å; V357-R361 PolarHBondContact O-N 3.32Å |
| 358 | K | 96.5 | Very high | 95.6 | Very high | 131 Ų | 131 | 118.5 Ų | 118.5 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.8 | -44.4 | 174.1 | -76.4 | 175.7 | 179.3 | 172.8 | 0 | 111.4 | I354 P355 V356 R361 K362 | I354-K358 HydrophobicContact CG2-CD 4.09Å; I354-K358 WeakPolarHBondContact O-CB 3.28Å; I354-K358 WeakPolarHBondContact O-CG 3.39Å; I354-K358 PolarHBondContact O-N 2.95Å; P355-K358 PolarHBondContact O-N 2.9Å; V356-K358 PolarHBondContact O-N 3.45Å; K358-R361 PolarHBondContact O-N 3.27Å; K358-K362 WeakPolarHBondContact O-CG 3.42Å; K358-K362 PolarHBondContact O-N 3.21Å; K358-K362 VanDerWaalsContact O-N 3.14Å |
| 359 | K | 96.9 | Very high | 95.8 | Very high | 152 Ų | 152 | 116 Ų | 116 | 66% | 0.661 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 177.2 | -168.7 | 174.7 | -177.4 | 179.3 | 0 | 111.7 | P355 V356 V357 K362 M363 | P355-K359 WeakPolarHBondContact O-CB 3.38Å; P355-K359 PolarHBondContact O-N 3.45Å; V356-K359 PolarHBondContact O-N 3.49Å; V357-K359 VanDerWaalsContact C-N 3.35Å; V357-K359 PolarHBondContact O-N 3.14Å; K359-K362 PolarHBondContact O-N 3Å; K359-M363 WeakPolarHBondContact O-CG 3.13Å; K359-M363 PolarHBondContact O-N 3.16Å |
| 360 | L | 96.5 | Very high | 96 | Very high | 111 Ų | 111 | 115.6 Ų | 115.6 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63 | -41.7 | 176.9 | -171.5 | 67.3 | 0 | 0 | 0 | 111.8 | V356 V357 K362 M363 R364 | V356-L360 WeakPolarHBondContact O-CB 3.42Å; V356-L360 PolarHBondContact O-N 3.45Å; V357-L360 PolarHBondContact O-N 2.99Å; L360-K362 PolarHBondContact O-N 3.25Å; L360-M363 PolarHBondContact O-N 2.87Å; L360-R364 WeakPolarHBondContact O-CB 3.29Å; L360-R364 PolarHBondContact O-N 3.13Å |
| 361 | R | 96.4 | Very high | 96.2 | Very high | 183 Ų | 183 | 115.4 Ų | 115.4 | 69% | 0.691 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.6 | -44.5 | 174.4 | -74.7 | -179.5 | 179.9 | -177.7 | 1.3 | 111.7 | V357 K358 M363 R364 A365 | V357-R361 HydrophobicContact CG1-CG 4.5Å; V357-R361 WeakPolarHBondContact O-CG 3.39Å; V357-R361 PolarHBondContact O-N 3.32Å; K358-R361 PolarHBondContact O-N 3.27Å; R361-M363 PolarHBondContact O-N 3.38Å; R361-R364 PolarHBondContact O-N 3.27Å; R361-A365 PolarHBondContact O-N 2.91Å |
| 362 | K | 97.3 | Very high | 96.4 | Very high | 152 Ų | 152 | 113.7 Ų | 113.7 | 66% | 0.661 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.7 | -44.4 | 174.9 | -71.1 | 177.8 | -179.8 | -179.2 | 0 | 111.8 | K358 K359 L360 A365 K366 | K358-K362 WeakPolarHBondContact O-CG 3.42Å; K358-K362 PolarHBondContact O-N 3.21Å; K358-K362 VanDerWaalsContact O-N 3.14Å; K359-K362 PolarHBondContact O-N 3Å; L360-K362 PolarHBondContact O-N 3.25Å; K362-A365 PolarHBondContact O-N 2.89Å; K362-K366 WeakPolarHBondContact O-CG 3.28Å; K362-K366 PolarHBondContact O-N 3.08Å |
| 363 | M | 96.8 | Very high | 96.6 | Very high | 93 Ų | 93 | 116.6 Ų | 116.6 | 46% | 0.458 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.8 | -44.3 | 175.7 | -71.6 | -108 | -72.5 | 0 | 0 | 112 | K359 L360 R361 A365 K366 R367 | K359-M363 WeakPolarHBondContact O-CG 3.13Å; K359-M363 PolarHBondContact O-N 3.16Å; L360-M363 PolarHBondContact O-N 2.87Å; R361-M363 PolarHBondContact O-N 3.38Å; M363-A365 PolarHBondContact O-N 3.2Å; M363-K366 PolarHBondContact O-N 3.25Å; M363-R367 WeakPolarHBondContact O-CG 3.46Å; M363-R367 PolarHBondContact O-N 3.2Å |
| 364 | R | 97 | Very high | 96.8 | Very high | 162 Ų | 162 | 112.5 Ų | 112.5 | 61% | 0.611 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 177.7 | -167.8 | 176.5 | -172.5 | -172.6 | 0.9 | 111.7 | L360 R361 R367 R368 | L360-R364 WeakPolarHBondContact O-CB 3.29Å; L360-R364 PolarHBondContact O-N 3.13Å; R361-R364 PolarHBondContact O-N 3.27Å; R364-R367 PolarHBondContact O-N 3.38Å; R364-R368 WeakPolarHBondContact O-CG 3.47Å; R364-R368 PolarHBondContact O-N 3.4Å |
| 365 | A | 95.6 | Very high | 96.9 | Very high | 59 Ų | 59 | 116 Ų | 116 | 49% | 0.488 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.2 | -45.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R361 K362 M363 R367 R368 A369 | R361-A365 PolarHBondContact O-N 2.91Å; K362-A365 PolarHBondContact O-N 2.89Å; M363-A365 PolarHBondContact O-N 3.2Å; A365-R367 PolarHBondContact O-N 3.26Å; A365-R368 PolarHBondContact O-N 2.94Å; A365-A369 PolarHBondContact O-N 3.43Å |
| 366 | K | 97.1 | Very high | 97 | Very high | 160 Ų | 160 | 119.1 Ų | 119.1 | 70% | 0.696 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.5 | -44.8 | 175 | -72.1 | 180 | 179.7 | -175 | 0 | 112.1 | K362 M363 A369 A370 | K362-K366 WeakPolarHBondContact O-CG 3.28Å; K362-K366 PolarHBondContact O-N 3.08Å; M363-K366 PolarHBondContact O-N 3.25Å; K366-A369 PolarHBondContact O-N 3.08Å; K366-A370 WeakPolarHBondContact O-CB 3.22Å; K366-A370 PolarHBondContact O-N 2.93Å |
| 367 | R | 97 | Very high | 97.1 | Very high | 178 Ų | 178 | 123.7 Ų | 123.7 | 67% | 0.672 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.8 | -44.4 | 176 | -75 | -177.8 | -180 | 173.7 | 0.1 | 112 | M363 R364 A365 A369 A370 L371 | M363-R367 WeakPolarHBondContact O-CG 3.46Å; M363-R367 PolarHBondContact O-N 3.2Å; R364-R367 PolarHBondContact O-N 3.38Å; A365-R367 PolarHBondContact O-N 3.26Å; R367-A369 PolarHBondContact O-N 2.98Å; R367-A370 PolarHBondContact O-N 3.41Å; R367-L371 WeakPolarHBondContact O-CB 3.27Å; R367-L371 PolarHBondContact O-N 2.97Å |
| 368 | R | 97.2 | Very high | 97.2 | Very high | 156 Ų | 156 | 128.2 Ų | 128.2 | 59% | 0.589 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.9 | -43.2 | 175.5 | -75 | 179.6 | 178.6 | 176.9 | -1.2 | 111.9 | R364 A365 L371 S372 | R364-R368 WeakPolarHBondContact O-CG 3.47Å; R364-R368 PolarHBondContact O-N 3.4Å; A365-R368 PolarHBondContact O-N 2.94Å; R368-L371 PolarHBondContact O-N 3.4Å; R368-S372 WeakPolarHBondContact O-CB 3.36Å; R368-S372 PolarHBondContact O-N 3.44Å |
| 369 | A | 96.8 | Very high | 97.3 | Very high | 46 Ų | 46 | 130.6 Ų | 130.6 | 38% | 0.38 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.8 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A365 K366 R367 S372 R373 | A365-A369 PolarHBondContact O-N 3.43Å; K366-A369 PolarHBondContact O-N 3.08Å; R367-A369 PolarHBondContact O-N 2.98Å; A369-S372 PolarHBondContact O-N 3.15Å; A369-R373 WeakPolarHBondContact O-CG 3.38Å; A369-R373 PolarHBondContact O-N 2.99Å |
| 370 | A | 97.7 | Very high | 97.4 | Very high | 57 Ų | 57 | 130 Ų | 130 | 47% | 0.471 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.9 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K366 R367 S372 R373 S374 | K366-A370 WeakPolarHBondContact O-CB 3.22Å; K366-A370 PolarHBondContact O-N 2.93Å; R367-A370 PolarHBondContact O-N 3.41Å; A370-S372 VanDerWaalsContact C-N 3.34Å; A370-S372 PolarHBondContact O-N 3.12Å; A370-R373 PolarHBondContact O-N 2.67Å; A370-S374 PolarHBondContact O-N 3.16Å |
| 371 | L | 97 | Very high | 97.5 | Very high | 88 Ų | 88 | 130.3 Ų | 130.3 | 46% | 0.461 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.3 | -41.1 | 176.4 | -175.6 | 62.7 | 0 | 0 | 0 | 111.9 | R367 R368 S374 R375 | R367-L371 WeakPolarHBondContact O-CB 3.27Å; R367-L371 PolarHBondContact O-N 2.97Å; R368-L371 PolarHBondContact O-N 3.4Å; L371-S374 PolarHBondContact O-N 3.34Å; L371-R375 WeakPolarHBondContact O-CB 3.37Å; L371-R375 WeakPolarHBondContact O-CG 3.5Å; L371-R375 PolarHBondContact O-N 3.46Å |
| 372 | S | 97.8 | Very high | 97.6 | Very high | 78 Ų | 78 | 129 Ų | 129 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.5 | -45.7 | 174.5 | -179 | 0 | 0 | 0 | 0 | 111.9 | R368 A369 A370 S374 R375 K376 | R368-S372 WeakPolarHBondContact O-CB 3.36Å; R368-S372 PolarHBondContact O-N 3.44Å; A369-S372 PolarHBondContact O-N 3.15Å; A370-S372 VanDerWaalsContact C-N 3.34Å; A370-S372 PolarHBondContact O-N 3.12Å; S372-S374 PolarHBondContact O-N 2.92Å; S372-R375 PolarHBondContact O-N 3.01Å; S372-K376 PolarHBondContact O-N 2.92Å |
| 373 | R | 98.1 | Very high | 97.7 | Very high | 179 Ų | 179 | 126.2 Ų | 126.2 | 68% | 0.675 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.8 | -43.7 | 175.2 | -69.1 | 174.2 | -175 | -175.4 | 1 | 111.9 | A369 A370 K376 R377 | A369-R373 WeakPolarHBondContact O-CG 3.38Å; A369-R373 PolarHBondContact O-N 2.99Å; A370-R373 PolarHBondContact O-N 2.67Å; R373-K376 PolarHBondContact O-N 2.92Å; R373-R377 WeakPolarHBondContact O-CG 3.47Å; R373-R377 PolarHBondContact O-N 3.44Å |
| 374 | S | 97.1 | Very high | 97.7 | Very high | 70 Ų | 70 | 128.3 Ų | 128.3 | 49% | 0.49 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.9 | -48.2 | 176.3 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | A370 L371 S372 K376 R377 K378 | A370-S374 PolarHBondContact O-N 3.16Å; L371-S374 PolarHBondContact O-N 3.34Å; S372-S374 PolarHBondContact O-N 2.92Å; S374-K376 VanDerWaalsContact C-N 3.33Å; S374-K376 PolarHBondContact O-N 2.95Å; S374-R377 WeakPolarHBondContact O-CB 3.45Å; S374-R377 PolarHBondContact O-N 3.37Å; S374-R377 VanDerWaalsContact O-N 3.13Å; S374-K378 PolarHBondContact O-N 3.28Å |
| 375 | R | 98 | Very high | 97.8 | Very high | 152 Ų | 152 | 125 Ų | 125 | 57% | 0.574 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.3 | -41.2 | 175.3 | -72.5 | 175.9 | 177.3 | -176.1 | -1.7 | 112.3 | L371 S372 K378 R379 | L371-R375 WeakPolarHBondContact O-CB 3.37Å; L371-R375 WeakPolarHBondContact O-CG 3.5Å; L371-R375 PolarHBondContact O-N 3.46Å; S372-R375 PolarHBondContact O-N 3.01Å; R375-K378 PolarHBondContact O-N 3.47Å; R375-R379 WeakPolarHBondContact O-CG 2.9Å; R375-R379 PolarHBondContact O-N 3.38Å |
| 376 | K | 98.3 | Very high | 98 | Very high | 137 Ų | 137 | 129.8 Ų | 129.8 | 60% | 0.596 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.6 | -42.9 | 175.1 | -170.9 | 173.8 | -176.3 | 173.5 | 0 | 111.7 | S372 R373 S374 R379 K380 | S372-K376 PolarHBondContact O-N 2.92Å; R373-K376 PolarHBondContact O-N 2.92Å; S374-K376 VanDerWaalsContact C-N 3.33Å; S374-K376 PolarHBondContact O-N 2.95Å; K376-R379 PolarHBondContact O-N 2.9Å; K376-K380 WeakPolarHBondContact O-CG 3.22Å; K376-K380 PolarHBondContact O-N 3.45Å; K376-K380 VanDerWaalsContact O-N 3.07Å |
| 377 | R | 98.1 | Very high | 98 | Very high | 186 Ų | 186 | 131.1 Ų | 131.1 | 70% | 0.702 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.4 | -47.2 | 174.7 | -72.3 | 179.1 | 179.8 | -176.5 | -1.1 | 111.6 | R373 S374 R379 K380 L381 | R373-R377 WeakPolarHBondContact O-CG 3.47Å; R373-R377 PolarHBondContact O-N 3.44Å; S374-R377 WeakPolarHBondContact O-CB 3.45Å; S374-R377 PolarHBondContact O-N 3.37Å; S374-R377 VanDerWaalsContact O-N 3.13Å; R377-R379 VanDerWaalsContact C-N 3.33Å; R377-R379 PolarHBondContact O-N 2.94Å; R377-K380 WeakPolarHBondContact O-CB 3.37Å; R377-K380 PolarHBondContact O-N 3.28Å; R377-K380 VanDerWaalsContact O-N 3.12Å; R377-L381 WeakPolarHBondContact O-CG 3.49Å; R377-L381 PolarHBondContact O-N 2.94Å |
| 378 | K | 98.4 | Very high | 98.1 | Very high | 162 Ų | 162 | 127.9 Ų | 127.9 | 70% | 0.704 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -55.2 | -45.5 | 175.7 | -175.6 | 172.7 | -177.9 | 169.8 | 0 | 112.1 | S374 R375 L381 K382 | S374-K378 PolarHBondContact O-N 3.28Å; R375-K378 PolarHBondContact O-N 3.47Å; K378-L381 PolarHBondContact O-N 2.73Å; K378-K382 WeakPolarHBondContact O-CB 3.31Å; K378-K382 PolarHBondContact O-N 2.92Å |
| 379 | R | 98.5 | Very high | 98.1 | Very high | 181 Ų | 181 | 127 Ų | 127 | 68% | 0.683 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.3 | -43.8 | 175.9 | -71.3 | 176.7 | -176.5 | 171.4 | 0.1 | 112.4 | R375 K376 R377 K382 N383 | R375-R379 WeakPolarHBondContact O-CG 2.9Å; R375-R379 PolarHBondContact O-N 3.38Å; K376-R379 PolarHBondContact O-N 2.9Å; R377-R379 VanDerWaalsContact C-N 3.33Å; R377-R379 PolarHBondContact O-N 2.94Å; R379-K382 PolarHBondContact O-N 3.5Å; R379-N383 WeakPolarHBondContact O-CB 3.45Å; R379-N383 VanDerWaalsContact O-CG 3.27Å; R379-N383 PolarHBondContact O-N 3.44Å |
| 380 | K | 98.5 | Very high | 98.2 | Very high | 141 Ų | 141 | 131.3 Ų | 131.3 | 61% | 0.613 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.8 | -46.4 | 176.4 | -74.9 | -175.4 | 175 | -167.9 | 0 | 111.8 | K376 R377 N383 K384 | K376-K380 WeakPolarHBondContact O-CG 3.22Å; K376-K380 PolarHBondContact O-N 3.45Å; K376-K380 VanDerWaalsContact O-N 3.07Å; R377-K380 WeakPolarHBondContact O-CB 3.37Å; R377-K380 PolarHBondContact O-N 3.28Å; R377-K380 VanDerWaalsContact O-N 3.12Å; K380-N383 PolarHBondContact O-N 3.33Å; K380-K384 PolarHBondContact O-N 3.29Å |
| 381 | L | 98.6 | Very high | 98.2 | Very high | 117 Ų | 117 | 131.9 Ų | 131.9 | 61% | 0.613 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.8 | -45.7 | 177.9 | -70.7 | 171.8 | 0 | 0 | 0 | 111.6 | R377 K378 N383 K384 L385 | R377-L381 WeakPolarHBondContact O-CG 3.49Å; R377-L381 PolarHBondContact O-N 2.94Å; K378-L381 PolarHBondContact O-N 2.73Å; L381-N383 VanDerWaalsContact C-N 3.29Å; L381-N383 PolarHBondContact O-N 2.95Å; L381-K384 PolarHBondContact O-N 2.96Å; L381-K384 VanDerWaalsContact O-N 3.14Å; L381-L385 WeakPolarHBondContact O-CB 3.4Å; L381-L385 PolarHBondContact O-N 3.47Å |
| 382 | K | 98.6 | Very high | 98.3 | Very high | 156 Ų | 156 | 131.9 Ų | 131.9 | 68% | 0.678 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58 | -41.9 | 175.3 | -172.6 | 174.4 | -178.5 | 175.8 | 0 | 111.9 | K378 R379 K386 | K378-K382 WeakPolarHBondContact O-CB 3.31Å; K378-K382 PolarHBondContact O-N 2.92Å; R379-K382 PolarHBondContact O-N 3.5Å; K382-K386 WeakPolarHBondContact O-CB 3.49Å; K382-K386 PolarHBondContact O-N 2.93Å |
| 383 | N | 98.6 | Very high | 98.2 | Very high | 93 Ų | 93 | 137.7 Ų | 137.7 | 50% | 0.497 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.8 | -39.9 | 176.4 | -72.9 | -10.5 | 0 | 0 | 0 | 112.3 | R379 K380 L381 K386 R387 | R379-N383 WeakPolarHBondContact O-CB 3.45Å; R379-N383 VanDerWaalsContact O-CG 3.27Å; R379-N383 PolarHBondContact O-N 3.44Å; K380-N383 PolarHBondContact O-N 3.33Å; L381-N383 VanDerWaalsContact C-N 3.29Å; L381-N383 PolarHBondContact O-N 2.95Å; N383-K386 PolarHBondContact O-N 3.48Å; N383-R387 WeakPolarHBondContact O-CG 3.45Å; N383-R387 PolarHBondContact O-N 3.38Å |
| 384 | K | 98.6 | Very high | 98.1 | Very high | 137 Ų | 137 | 135.8 Ų | 135.8 | 60% | 0.596 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.8 | -47.8 | 174.8 | -171.5 | 178.9 | 179.8 | -175.3 | 0 | 110.8 | K380 L381 K386 R387 M388 | K380-K384 PolarHBondContact O-N 3.29Å; L381-K384 PolarHBondContact O-N 2.96Å; L381-K384 VanDerWaalsContact O-N 3.14Å; K384-K386 PolarHBondContact O-N 3.29Å; K384-R387 WeakPolarHBondContact O-CB 3.48Å; K384-R387 PolarHBondContact O-N 3.34Å; K384-M388 HydrophobicContact CG-SD 4.29Å; K384-M388 WeakPolarHBondContact O-CG 3.3Å; K384-M388 PolarHBondContact O-N 3.02Å |
| 385 | L | 98.5 | Very high | 98 | Very high | 93 Ų | 93 | 140 Ų | 140 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -59.7 | -44.5 | 176.4 | -177.5 | 63 | 0 | 0 | 0 | 111.8 | L381 R387 M388 K389 | L381-L385 WeakPolarHBondContact O-CB 3.4Å; L381-L385 PolarHBondContact O-N 3.47Å; L385-R387 VanDerWaalsContact C-N 3.3Å; L385-R387 PolarHBondContact O-N 2.96Å; L385-M388 PolarHBondContact O-N 3.4Å; L385-K389 HydrophobicContact CD1-CG 4.46Å; L385-K389 WeakPolarHBondContact O-CG 3.33Å; L385-K389 PolarHBondContact O-N 2.85Å |
| 386 | K | 98.5 | Very high | 97.6 | Very high | 158 Ų | 158 | 140 Ų | 140 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.7 | -39.8 | 176.3 | -173.5 | 176.8 | 180 | 178.9 | 0 | 112.1 | K382 N383 K384 K390 | K382-K386 WeakPolarHBondContact O-CB 3.49Å; K382-K386 PolarHBondContact O-N 2.93Å; N383-K386 PolarHBondContact O-N 3.48Å; K384-K386 PolarHBondContact O-N 3.29Å; K386-K390 PolarHBondContact O-N 2.99Å; K386-K390 VanDerWaalsContact O-N 3.14Å |
| 387 | R | 98.3 | Very high | 97.5 | Very high | 189 Ų | 189 | 140.1 Ų | 140.1 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.6 | -45.8 | 175.7 | -71 | 174.6 | -176.2 | -174.1 | -0.8 | 111.6 | N383 K384 L385 K390 V391 | N383-R387 WeakPolarHBondContact O-CG 3.45Å; N383-R387 PolarHBondContact O-N 3.38Å; K384-R387 WeakPolarHBondContact O-CB 3.48Å; K384-R387 PolarHBondContact O-N 3.34Å; L385-R387 VanDerWaalsContact C-N 3.3Å; L385-R387 PolarHBondContact O-N 2.96Å; R387-K390 WeakPolarHBondContact O-CB 3.42Å; R387-K390 PolarHBondContact O-N 2.93Å; R387-K390 VanDerWaalsContact O-N 3.16Å; R387-V391 WeakPolarHBondContact O-CG2 3.46Å; R387-V391 PolarHBondContact O-N 2.73Å |
| 388 | M | 98.4 | Very high | 97.5 | Very high | 109 Ų | 109 | 137.7 Ų | 137.7 | 54% | 0.537 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -60 | -47.6 | 177.2 | -70.6 | 173.9 | 64.5 | 0 | 0 | 111.6 | K384 L385 K390 V391 V392 | K384-M388 HydrophobicContact CG-SD 4.29Å; K384-M388 WeakPolarHBondContact O-CG 3.3Å; K384-M388 PolarHBondContact O-N 3.02Å; L385-M388 PolarHBondContact O-N 3.4Å; M388-K390 PolarHBondContact O-N 3.32Å; M388-V391 PolarHBondContact O-N 3.35Å; M388-V391 VanDerWaalsContact O-N 3.07Å; M388-V392 WeakPolarHBondContact O-CG2 3.28Å; M388-V392 PolarHBondContact O-N 2.77Å |
| 389 | K | 98.3 | Very high | 97.4 | Very high | 138 Ų | 138 | 136.3 Ų | 136.3 | 60% | 0.6 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -57.8 | -36.1 | 175.3 | -72.8 | -169.9 | 175.7 | -165.2 | 0 | 112.7 | L385 R393 | L385-K389 HydrophobicContact CD1-CG 4.46Å; L385-K389 WeakPolarHBondContact O-CG 3.33Å; L385-K389 PolarHBondContact O-N 2.85Å; K389-R393 WeakPolarHBondContact O-CB 3.29Å; K389-R393 PolarHBondContact O-N 3.31Å; K389-R393 VanDerWaalsContact O-N 3.08Å |
| 390 | K | 98.2 | Very high | 97.4 | Very high | 137 Ų | 137 | 133.7 Ų | 133.7 | 60% | 0.596 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.6 | -41.4 | 175.7 | -172.2 | 179 | 179.1 | -177.9 | 0 | 111.9 | K386 R387 M388 Q394 | K386-K390 PolarHBondContact O-N 2.99Å; K386-K390 VanDerWaalsContact O-N 3.14Å; R387-K390 WeakPolarHBondContact O-CB 3.42Å; R387-K390 PolarHBondContact O-N 2.93Å; R387-K390 VanDerWaalsContact O-N 3.16Å; M388-K390 PolarHBondContact O-N 3.32Å; K390-Q394 WeakPolarHBondContact O-CG 3.27Å; K390-Q394 PolarHBondContact O-N 2.68Å |
| 391 | V | 98.1 | Very high | 97.3 | Very high | 68 Ų | 68 | 133.3 Ų | 133.3 | 41% | 0.412 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.7 | -46.3 | 177 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | R387 M388 R393 Q394 M395 | R387-V391 WeakPolarHBondContact O-CG2 3.46Å; R387-V391 PolarHBondContact O-N 2.73Å; M388-V391 PolarHBondContact O-N 3.35Å; M388-V391 VanDerWaalsContact O-N 3.07Å; V391-R393 VanDerWaalsContact C-N 3.33Å; V391-R393 PolarHBondContact O-N 2.72Å; V391-Q394 WeakPolarHBondContact O-CB 3.49Å; V391-Q394 PolarHBondContact O-N 3.12Å; V391-M395 HydrophobicContact CG1-CE 3.73Å; V391-M395 HydrophobicContact CG1-SD 4.06Å; V391-M395 WeakPolarHBondContact O-CG 3.46Å; V391-M395 PolarHBondContact O-N 2.85Å |
| 392 | V | 97.8 | Very high | 97.2 | Very high | 88 Ų | 88 | 134.3 Ų | 134.3 | 53% | 0.533 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -57.6 | -46.6 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | M388 Q394 M395 T396 | M388-V392 WeakPolarHBondContact O-CG2 3.28Å; M388-V392 PolarHBondContact O-N 2.77Å; V392-Q394 PolarHBondContact O-N 3Å; V392-M395 PolarHBondContact O-N 2.85Å; V392-T396 HydrophobicContact CG1-CG2 4.49Å; V392-T396 PolarHBondContact O-N 2.71Å; V392-T396 PolarHBondContact O-OG1 3.05Å |
| 393 | R | 97.4 | Very high | 97.1 | Very high | 201 Ų | 201 | 132.8 Ų | 132.8 | 76% | 0.758 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63 | -20.6 | 176.4 | -168.7 | -174.3 | -70.2 | -178.6 | -7.3 | 114.1 | K389 V391 T396 | K389-R393 WeakPolarHBondContact O-CB 3.29Å; K389-R393 PolarHBondContact O-N 3.31Å; K389-R393 VanDerWaalsContact O-N 3.08Å; V391-R393 VanDerWaalsContact C-N 3.33Å; V391-R393 PolarHBondContact O-N 2.72Å; R393-T396 WeakPolarHBondContact CA-OG1 3.48Å |
| 394 | Q | 96.1 | Very high | 97 | Very high | 139 Ų | 139 | 135.8 Ų | 135.8 | 65% | 0.65 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -87 | -17 | 175.6 | -73.8 | 176 | -18.1 | 0 | 0 | 112.4 | K390 V391 V392 | K390-Q394 WeakPolarHBondContact O-CG 3.27Å; K390-Q394 PolarHBondContact O-N 2.68Å; V391-Q394 WeakPolarHBondContact O-CB 3.49Å; V391-Q394 PolarHBondContact O-N 3.12Å; V392-Q394 PolarHBondContact O-N 3Å |
| 395 | M | 94.2 | Very high | 96.9 | Very high | 159 Ų | 159 | 135.8 Ų | 135.8 | 78% | 0.783 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -93.8 | -28.6 | 178.9 | -68.7 | 176.9 | 168.3 | 0 | 0 | 112.3 | V391 V392 | V391-M395 HydrophobicContact CG1-CE 3.73Å; V391-M395 HydrophobicContact CG1-SD 4.06Å; V391-M395 WeakPolarHBondContact O-CG 3.46Å; V391-M395 PolarHBondContact O-N 2.85Å; V392-M395 PolarHBondContact O-N 2.85Å |
| 396 | T | 89 | Confident | 96.7 | Very high | 150 Ų | 150 | 139.6 Ų | 139.6 | 92% | 0.92 | 65% | 0.654 | S | S | * | * | | | trans | -85.2 | 0 | 166.5 | 59.8 | 0 | 0 | 0 | 0 | 110.1 | V392 R393 | V392-T396 HydrophobicContact CG1-CG2 4.49Å; V392-T396 PolarHBondContact O-N 2.71Å; V392-T396 PolarHBondContact O-OG1 3.05Å; R393-T396 WeakPolarHBondContact CA-OG1 3.48Å |