| 1 | M | 44.5 | Very low | 39.4 | Very low | 240 Ų | 240 | 150.1 Ų | 150.1 | 100% | 1.182 | 83% | 0.83 | S | S | * | * | | | | 0 | 124.1 | 0 | -71.4 | 69.9 | 101.9 | 0 | 0 | 108.8 | | |
| 2 | S | 38.3 | Very low | 39.4 | Very low | 121 Ų | 121 | 152.2 Ų | 152.2 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | | | trans | -83.1 | 142.8 | -176.8 | -48.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 3 | R | 38.3 | Very low | 39.5 | Very low | 254 Ų | 254 | 158.5 Ų | 158.5 | 96% | 0.958 | 84% | 0.841 | S | S | * | * | | | trans | -140.4 | 102 | 147.6 | -80 | -161.3 | 169 | -165.1 | -4.6 | 109.5 | | |
| 4 | A | 41.5 | Very low | 39.8 | Very low | 104 Ų | 104 | 154.5 Ų | 154.5 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | | | trans | -76.3 | 146.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 5 | G | 38.6 | Very low | 39.9 | Very low | 66 Ų | 66 | 155.1 Ų | 155.1 | 68% | 0.68 | 84% | 0.844 | S | S | * | * | | | trans | -111.9 | 98.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 6 | S | 35.4 | Very low | 39.6 | Very low | 96 Ų | 96 | 149.6 Ų | 149.6 | 67% | 0.671 | 83% | 0.834 | S | S | * | * | | | trans | -66.4 | 145.1 | 171.6 | -131.6 | 0 | 0 | 0 | 0 | 110.2 | D8 | S6-D8 WeakPolarHBondContact CB-OD2 3.47Å; S6-D8 PolarHBondContact OG-OD2 3.48Å |
| 7 | W | 40.4 | Very low | 39.3 | Very low | 254 Ų | 254 | 145.8 Ų | 145.8 | 96% | 0.962 | 84% | 0.836 | S | S | * | * | | | trans | -119.8 | 74.6 | 168.4 | -72 | 89.8 | 0 | 0 | 0 | 108.6 | | |
| 8 | D | 41.1 | Very low | 39 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 70% | 0.695 | 83% | 0.834 | S | S | * | * | | | trans | -105.2 | 119.3 | 171.8 | -67.6 | -83.4 | 0 | 0 | 0 | 109 | S6 | S6-D8 WeakPolarHBondContact CB-OD2 3.47Å; S6-D8 PolarHBondContact OG-OD2 3.48Å |
| 9 | M | 39.4 | Very low | 38.9 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 83% | 0.833 | 83% | 0.831 | S | S | * | * | | | trans | -164.7 | 72.1 | 154.5 | -111.3 | -74.5 | 95.9 | 0 | 0 | 109 | | |
| 10 | D | 40.5 | Very low | 38.7 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | | | trans | -103.3 | 151.6 | 162.2 | -148.5 | -44.6 | 0 | 0 | 0 | 108.5 | | |
| 11 | G | 35.2 | Very low | 38.5 | Very low | 57 Ų | 57 | 135.8 Ų | 135.8 | 59% | 0.588 | 83% | 0.832 | S | S | * | * | | | trans | 70.5 | 101 | 167.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 12 | L | 39.9 | Very low | 38.3 | Very low | 175 Ų | 175 | 129 Ų | 129 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | | | trans | -143.6 | 125 | 135 | -111.9 | 146.4 | 0 | 0 | 0 | 110.6 | | |
| 13 | R | 40.3 | Very low | 39 | Very low | 234 Ų | 234 | 128.8 Ų | 128.8 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | -118.3 | 131.7 | -174.4 | 172.8 | -175.8 | 176.4 | -175.1 | -1.2 | 106.8 | | |
| 14 | A | 44.3 | Very low | 38.8 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | trans | -139.9 | 152 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 15 | D | 40.5 | Very low | 38.6 | Very low | 163 Ų | 163 | 121 Ų | 121 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | -121.3 | 172.5 | -161.3 | -165.6 | -85.5 | 0 | 0 | 0 | 111.4 | | |
| 16 | G | 36 | Very low | 38.6 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | trans | 95.7 | 135.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 17 | G | 34.6 | Very low | 38.7 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | | | cis | 124 | 120.2 | -0.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 18 | G | 33.1 | Very low | 38.7 | Very low | 77 Ų | 77 | 115.9 Ų | 115.9 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | 120.2 | 100.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 19 | A | 36.6 | Very low | 38.4 | Very low | 93 Ų | 93 | 115.4 Ų | 115.4 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | | 59.5 | 123.8 | 125.5 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 20 | S | 36 | Very low | 38.3 | Very low | 122 Ų | 122 | 112.6 Ų | 112.6 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | 60.8 | 131.9 | 130.3 | 64.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 21 | G | 34.8 | Very low | 38.1 | Very low | 81 Ų | 81 | 112.3 Ų | 112.3 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | 162.9 | 81.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 22 | A | 38.7 | Very low | 37.9 | Very low | 97 Ų | 97 | 114.4 Ų | 114.4 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -87.9 | 153.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 23 | P | 53.1 | Low | 37.5 | Very low | 118 Ų | 118 | 111 Ų | 111 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | | -138.6 | 157.6 | 92.4 | 40.3 | -26.3 | 0 | 0 | 0 | 111.6 | | |
| 24 | A | 34.6 | Very low | 37.1 | Very low | 93 Ų | 93 | 104.6 Ų | 104.6 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | | 53.1 | 131.6 | 62.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 25 | S | 38.4 | Very low | 36.5 | Very low | 102 Ų | 102 | 104.6 Ų | 104.6 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | cis | -161.4 | 176.8 | 13.4 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 26 | S | 37.8 | Very low | 36.2 | Very low | 99 Ų | 99 | 101.8 Ų | 101.8 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | | | trans | 66 | 141.4 | 145.9 | 47.2 | 0 | 0 | 0 | 0 | 120 | | |
| 27 | S | 38.2 | Very low | 36.4 | Very low | 102 Ų | 102 | 104.5 Ų | 104.5 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | cis | -168.1 | 150.8 | -2.8 | -99.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 28 | S | 39 | Very low | 36.4 | Very low | 107 Ų | 107 | 104.4 Ų | 104.4 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | 54.9 | 146.3 | 141.5 | -45.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 29 | S | 36 | Very low | 36.7 | Very low | 119 Ų | 119 | 109.6 Ų | 109.6 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | cis | -152.3 | 157.4 | 34.9 | -63 | 0 | 0 | 0 | 0 | 114.3 | | |
| 30 | S | 35.6 | Very low | 36.4 | Very low | 110 Ų | 110 | 110.2 Ų | 110.2 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -84 | 154.8 | 177.3 | 51.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 31 | V | 36.4 | Very low | 36.6 | Very low | 154 Ų | 154 | 116.2 Ų | 116.2 | 93% | 0.933 | 81% | 0.811 | S | S | * | * | | | trans | -137.9 | 145.8 | 141.8 | -78.8 | 0 | 0 | 0 | 0 | 110 | | |
| 32 | A | 31.7 | Very low | 36.7 | Very low | 102 Ų | 102 | 115.4 Ų | 115.4 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -132.8 | 143.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 33 | A | 32.7 | Very low | 36.6 | Very low | 104 Ų | 104 | 120 Ų | 120 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | 174.5 | 155.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 34 | A | 31.7 | Very low | 35.9 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | cis | -161.4 | 171 | -26.8 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 35 | A | 31.7 | Very low | 35.9 | Very low | 103 Ų | 103 | 122 Ų | 122 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | -68.6 | 154.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 36 | A | 34.4 | Very low | 36.1 | Very low | 103 Ų | 103 | 121.5 Ų | 121.5 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | | -170.4 | 141.5 | 129.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 37 | S | 39.7 | Very low | 37 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | -86.3 | 148.4 | 168.2 | 50 | 0 | 0 | 0 | 0 | 112.1 | | |
| 38 | G | 35 | Very low | 37 | Very low | 82 Ų | 82 | 124.5 Ų | 124.5 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | -165.3 | 131.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 39 | Q | 38.6 | Very low | 36.9 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | | | trans | -117.6 | 161.8 | -171.8 | -138.3 | 121.8 | 11.5 | 0 | 0 | 111.9 | | |
| 40 | C | 30.6 | Very low | 36.9 | Very low | 106 Ų | 106 | 127 Ų | 127 | 72% | 0.716 | 82% | 0.815 | S | S | * | * | | | trans | 87.2 | 139.3 | 150.4 | -70 | 0 | 0 | 0 | 0 | 122.7 | | |
| 41 | R | 40.5 | Very low | 36.7 | Very low | 249 Ų | 249 | 124.7 Ų | 124.7 | 94% | 0.94 | 81% | 0.809 | S | S | * | * | | | trans | 71.9 | 138.8 | 160.8 | -61 | 165.2 | -174 | -142 | 1.1 | 117.2 | | |
| 42 | G | 35.5 | Very low | 37.1 | Very low | 63 Ų | 63 | 124 Ų | 124 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | | | cis | 126.5 | 102.5 | -7.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 43 | F | 36.5 | Very low | 37.7 | Very low | 195 Ų | 195 | 127.5 Ų | 127.5 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | trans | -154.7 | 128.8 | 166.2 | -87.8 | -87.6 | 0 | 0 | 0 | 106.3 | | |
| 44 | L | 38.6 | Very low | 38 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | | 60.2 | 128.2 | 61.7 | -60.1 | 174.2 | 0 | 0 | 0 | 111.9 | | |
| 45 | S | 36.1 | Very low | 38.2 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | cis | -159.2 | 167.4 | -0.7 | -84.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 46 | A | 41.8 | Very low | 38.5 | Very low | 92 Ų | 92 | 134 Ų | 134 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -84.5 | 167.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 47 | P | 56 | Low | 38.6 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | | | trans | -119 | 163.1 | 153.5 | 36 | -26.1 | 0 | 0 | 0 | 113.7 | | |
| 48 | V | 39.5 | Very low | 38.3 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -126.6 | 143.3 | -171 | 167.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 49 | F | 35.9 | Very low | 38.2 | Very low | 199 Ų | 199 | 133.6 Ų | 133.6 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | | | trans | -160.1 | 122.5 | 155.6 | -144.1 | -98.6 | 0 | 0 | 0 | 107.5 | | |
| 50 | A | 36.6 | Very low | 37.8 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | | | cis | 107.4 | 129.7 | 32.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 51 | G | 32.1 | Very low | 37.9 | Very low | 63 Ų | 63 | 129.1 Ų | 129.1 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | | | trans | 136.5 | 84 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 52 | T | 44 | Very low | 37.6 | Very low | 138 Ų | 138 | 121.8 Ų | 121.8 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | | | | 61.7 | 130.6 | 96.7 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 53 | H | 44 | Very low | 37.4 | Very low | 176 Ų | 176 | 123.6 Ų | 123.6 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | | | cis | -158.5 | 168.6 | 46.6 | -153.6 | -111.6 | 0 | 0 | 0 | 113.7 | | |
| 54 | S | 40.1 | Very low | 37.2 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -34.1 | 157.4 | 177.7 | -64.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 55 | G | 35 | Very low | 36.9 | Very low | 76 Ų | 76 | 116.2 Ų | 116.2 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | cis | 145.1 | 139.2 | -0.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 56 | R | 38.6 | Very low | 36.7 | Very low | 259 Ų | 259 | 116 Ų | 116 | 98% | 0.977 | 80% | 0.804 | S | S | * | * | | | trans | -162 | 138.9 | 163.2 | -154.3 | 164.3 | 174.4 | 167.2 | -4.1 | 110.4 | | |
| 57 | A | 35.3 | Very low | 36.3 | Very low | 97 Ų | 97 | 116.3 Ų | 116.3 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -125 | -178.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 58 | A | 33.6 | Very low | 35.2 | Very low | 98 Ų | 98 | 115.4 Ų | 115.4 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | 96 | 104.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 59 | A | 33.4 | Very low | 34.9 | Very low | 106 Ų | 106 | 113.6 Ų | 113.6 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | | | cis | 93.8 | 102.8 | 19.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 60 | A | 31.1 | Very low | 34.7 | Very low | 95 Ų | 95 | 108.9 Ų | 108.9 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | | | trans | -178.4 | 114.3 | 146.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 61 | A | 32.8 | Very low | 34.6 | Very low | 103 Ų | 103 | 110.2 Ų | 110.2 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | | | | 70.2 | 134.1 | 65.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 62 | A | 32.4 | Very low | 34.9 | Very low | 94 Ų | 94 | 113.1 Ų | 113.1 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | | | cis | -168.6 | 174.4 | -12.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 63 | A | 32.3 | Very low | 34.4 | Very low | 101 Ų | 101 | 110 Ų | 110 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | | | trans | 73.9 | 156.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 64 | A | 32.4 | Very low | 33.8 | Very low | 92 Ų | 92 | 112.2 Ų | 112.2 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | | | cis | -173.9 | 167.6 | -30.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 65 | A | 32.9 | Very low | 33.5 | Very low | 95 Ų | 95 | 110.3 Ų | 110.3 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | | | trans | 68.3 | 127.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 66 | A | 32 | Very low | 33.5 | Very low | 100 Ų | 100 | 117.1 Ų | 117.1 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | | | cis | 72.6 | 144.2 | 45 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 67 | A | 31.5 | Very low | 34 | Very low | 99 Ų | 99 | 110.8 Ų | 110.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | cis | -170.8 | 156.9 | -19.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 68 | A | 32.8 | Very low | 33.9 | Very low | 109 Ų | 109 | 109 Ų | 109 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -174.9 | 147.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 69 | A | 33.2 | Very low | 34.1 | Very low | 97 Ų | 97 | 111.3 Ų | 111.3 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | trans | -128.5 | 159.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 70 | A | 32 | Very low | 34.1 | Very low | 101 Ų | 101 | 111.7 Ų | 111.7 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | | | trans | 41.4 | 128 | 151.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 71 | A | 34.3 | Very low | 34.2 | Very low | 106 Ų | 106 | 115.9 Ų | 115.9 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | | | | -179.4 | 156.8 | 103.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 72 | S | 39.9 | Very low | 34.3 | Very low | 124 Ų | 124 | 121 Ų | 121 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | trans | -89 | 155.9 | 170.6 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 73 | G | 33.1 | Very low | 34.5 | Very low | 72 Ų | 72 | 122.4 Ų | 122.4 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | trans | 154.8 | 119.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 74 | F | 31.7 | Very low | 34.5 | Very low | 224 Ų | 224 | 121.4 Ų | 121.4 | 98% | 0.982 | 81% | 0.809 | S | S | * | * | | | trans | 71.7 | 165.5 | 141 | -113.4 | -103.4 | 0 | 0 | 0 | 121.3 | | |
| 75 | A | 34.1 | Very low | 34.8 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 57% | 0.57 | 81% | 0.809 | S | S | * | * | | | trans | -134.3 | 170 | -153.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 76 | Y | 34.3 | Very low | 35 | Very low | 218 Ų | 218 | 123.3 Ų | 123.3 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | trans | 71.5 | 148.2 | 172.9 | -70.5 | -72 | 0 | 0 | 0 | 116.1 | | |
| 77 | P | 48.8 | Very low | 35.4 | Very low | 127 Ų | 127 | 123.8 Ų | 123.8 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | cis | -111.3 | -177.8 | 45 | 25.5 | -5.6 | 0 | 0 | 0 | 114.1 | | |
| 78 | G | 32.3 | Very low | 35.7 | Very low | 60 Ų | 60 | 123.8 Ų | 123.8 | 62% | 0.619 | 80% | 0.802 | S | S | * | * | | | cis | 131.2 | 104.1 | -1.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 79 | T | 38.2 | Very low | 36 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | | | trans | 172.9 | 153.6 | 169.4 | 28.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 80 | S | 34.3 | Very low | 36.2 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | cis | -162.5 | 158.3 | -13.6 | 42.6 | 0 | 0 | 0 | 0 | 108 | | |
| 81 | E | 32.8 | Very low | 36.5 | Very low | 184 Ų | 184 | 124.5 Ų | 124.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -83.8 | 157.5 | -169.9 | -56.2 | -174.8 | 104.6 | 0 | 0 | 116.2 | | |
| 82 | R | 35.4 | Very low | 36.7 | Very low | 210 Ų | 210 | 125.3 Ų | 125.3 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | | 129.4 | 122.9 | 117.6 | -151.5 | 169.3 | -156.3 | -88 | 0.8 | 118.5 | | |
| 83 | T | 35.6 | Very low | 36.4 | Very low | 124 Ų | 124 | 123.4 Ų | 123.4 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | | | trans | 61.9 | 132.7 | 152.8 | 47.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 84 | G | 33.9 | Very low | 36.5 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | 167.7 | 116.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 85 | S | 37.8 | Very low | 36.7 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -102.1 | 158.4 | -170.7 | -57.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 86 | S | 37.9 | Very low | 36.6 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 60.7 | 151.3 | 157 | 49.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 87 | S | 39.6 | Very low | 36.5 | Very low | 109 Ų | 109 | 118 Ų | 118 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | cis | -164.8 | 166.8 | -8.9 | 44.2 | 0 | 0 | 0 | 0 | 105.4 | | |
| 88 | S | 38.3 | Very low | 35.8 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | cis | -175.3 | 155.4 | 46.6 | 44.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 89 | S | 37.6 | Very low | 36.7 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | 54.1 | 112.7 | 148.9 | -51.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 90 | S | 37.5 | Very low | 36.3 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | | 72.4 | 116.2 | 65.4 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 91 | S | 40.1 | Very low | 36.3 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | | 64.2 | 134.9 | 71 | -47.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 92 | S | 36.6 | Very low | 37.5 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | | -167.1 | -169.9 | 53.6 | -73.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 93 | A | 34 | Very low | 38.4 | Very low | 83 Ų | 83 | 118.1 Ų | 118.1 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | | | trans | -115.3 | 168.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 94 | V | 35.5 | Very low | 38.3 | Very low | 136 Ų | 136 | 116 Ų | 116 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | trans | 65.2 | 147.1 | 153.4 | -63.1 | 0 | 0 | 0 | 0 | 123.6 | | |
| 95 | V | 35.8 | Very low | 38.4 | Very low | 135 Ų | 135 | 121.1 Ų | 121.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 99.2 | 103.3 | 155.6 | -164 | 0 | 0 | 0 | 0 | 119.9 | | |
| 96 | A | 33 | Very low | 38.1 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | trans | 14.3 | 133.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 97 | A | 31 | Very low | 37.5 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | | -171.6 | 159.6 | 112.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 98 | R | 35.2 | Very low | 38.3 | Very low | 234 Ų | 234 | 125.3 Ų | 125.3 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -67 | 168.3 | 171.4 | -103 | 174.6 | 72.8 | -156.2 | 4.3 | 111.8 | | |
| 99 | P | 50.1 | Low | 38 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | cis | -149.6 | -177.5 | 39.6 | 42.4 | -20.8 | 0 | 0 | 0 | 119.5 | | |
| 100 | E | 29.7 | Very low | 38.3 | Very low | 187 Ų | 187 | 126.4 Ų | 126.4 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | 69.3 | 159.7 | 157.5 | -112.1 | -172.1 | 139.8 | 0 | 0 | 122.5 | | |
| 101 | A | 34.5 | Very low | 38.4 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | | | trans | -153.3 | -171.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 102 | P | 59.1 | Low | 38.9 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | cis | -110.8 | -149 | -32.1 | 32.6 | -10.3 | 0 | 0 | 0 | 107.4 | | |
| 103 | P | 53.3 | Low | 38.7 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | cis | -144 | 173.5 | 0.7 | 45.7 | -26.7 | 0 | 0 | 0 | 119.5 | | |
| 104 | A | 33 | Very low | 38.8 | Very low | 79 Ų | 79 | 127.8 Ų | 127.8 | 65% | 0.653 | 80% | 0.798 | S | S | * | * | | | trans | 95.9 | 127 | 136.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 105 | K | 36 | Very low | 38.9 | Very low | 188 Ų | 188 | 126.3 Ų | 126.3 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | | | trans | 77.6 | 146.5 | 151.4 | -45.8 | -142.5 | 179.8 | -163.1 | 0 | 118.5 | | |
| 106 | E | 31.2 | Very low | 38.9 | Very low | 164 Ų | 164 | 124.5 Ų | 124.5 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | cis | -170.6 | 131.7 | -26.9 | -170.4 | 164.7 | 140.8 | 0 | 0 | 106.2 | | |
| 107 | C | 26.2 | Very low | 39 | Very low | 132 Ų | 132 | 125 Ų | 125 | 89% | 0.892 | 80% | 0.804 | S | S | * | * | | | trans | -163.4 | 136.1 | 173.1 | -110.4 | 0 | 0 | 0 | 0 | 112 | | |
| 108 | P | 56.6 | Low | 39.5 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -102.6 | 154.5 | -178.2 | 38.1 | -33.6 | 0 | 0 | 0 | 114.2 | | |
| 109 | A | 32.8 | Very low | 40.1 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -152.2 | 146.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 110 | P | 43.8 | Very low | 40.2 | Very low | 130 Ų | 130 | 120 Ų | 120 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | | | trans | -98.2 | 153 | -167.4 | 37 | -35.9 | 0 | 0 | 0 | 116.1 | | |
| 111 | T | 38.8 | Very low | 40.6 | Very low | 132 Ų | 132 | 117.2 Ų | 117.2 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -98.7 | 176.1 | 159.4 | 52.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 112 | P | 51.3 | Low | 40.9 | Very low | 125 Ų | 125 | 117.8 Ų | 117.8 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | | | cis | -126.8 | -157 | 19.3 | 41.6 | -20.1 | 0 | 0 | 0 | 112.5 | | |
| 113 | A | 32.8 | Very low | 40.2 | Very low | 84 Ų | 84 | 118.4 Ų | 118.4 | 69% | 0.694 | 81% | 0.811 | S | S | * | * | | | cis | -148 | 150.3 | 4.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 114 | A | 35.4 | Very low | 39.4 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | | | | 68.1 | 135.5 | 85 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 115 | A | 37.6 | Very low | 39.7 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | | | trans | -114.7 | 164.3 | -163 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 116 | A | 34.9 | Very low | 39.5 | Very low | 97 Ų | 97 | 116.6 Ų | 116.6 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | | | trans | -164.3 | 139.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 117 | A | 34.8 | Very low | 39.8 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | | | trans | 67.8 | 149 | 143 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 118 | A | 42.2 | Very low | 40 | Very low | 92 Ų | 92 | 117.5 Ų | 117.5 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | | | trans | -118.4 | 169.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 119 | P | 48.3 | Very low | 39 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | -121 | 147.5 | 172.5 | 38.5 | -27.4 | 0 | 0 | 0 | 114.8 | | |
| 120 | P | 53 | Low | 39.4 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | | | trans | -137.3 | 147.9 | 146.9 | 36.7 | -23.8 | 0 | 0 | 0 | 113.7 | | |
| 121 | S | 37.7 | Very low | 39 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | | | trans | 155.9 | 159.7 | 140.3 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 122 | A | 39.2 | Very low | 38.7 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | | | trans | -96.3 | 179.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 123 | P | 45.3 | Very low | 37.7 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | | | | -132.4 | 171.3 | 118.5 | 38.1 | -30.7 | 0 | 0 | 0 | 113.2 | | |
| 124 | A | 36.9 | Very low | 37.9 | Very low | 88 Ų | 88 | 124.8 Ų | 124.8 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | | | trans | -129.5 | 161.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 125 | L | 39.9 | Very low | 38.1 | Very low | 177 Ų | 177 | 129.5 Ų | 129.5 | 93% | 0.927 | 81% | 0.814 | S | S | * | * | | | trans | 78.3 | 109.5 | 162.6 | -51.8 | -174.9 | 0 | 0 | 0 | 119.3 | | |
| 126 | G | 31.2 | Very low | 38.3 | Very low | 80 Ų | 80 | 134.9 Ų | 134.9 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -150 | 112.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 127 | Y | 38.1 | Very low | 38.3 | Very low | 247 Ų | 247 | 134.7 Ų | 134.7 | 97% | 0.969 | 81% | 0.806 | S | S | * | * | | | trans | -79.1 | 137.9 | -172.4 | -130.1 | -111.3 | 0 | 0 | 0 | 111.3 | | |
| 128 | G | 29.3 | Very low | 38.3 | Very low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | 178.8 | 74.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | H130 | G128-H130 PolarHBondContact O-N 3.44Š|
| 129 | Y | 36.9 | Very low | 38.4 | Very low | 208 Ų | 208 | 141.2 Ų | 141.2 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | trans | -90.8 | 100.8 | -173.1 | -143.7 | -94.7 | 0 | 0 | 0 | 112.1 | F131 | Y129-F131 HydrophobicContact CD1-CB 4.38Å; Y129-F131 HydrophobicContact CE1-CB 4.22Å; Y129-F131 HydrophobicContact CE1-CD2 4.48Å |
| 130 | H | 41.1 | Very low | 37.8 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | | | trans | -113.3 | 75.5 | 173.1 | -83.9 | -74.3 | 0 | 0 | 0 | 112.6 | G128 | G128-H130 PolarHBondContact O-N 3.44Š|
| 131 | F | 34.8 | Very low | 36.8 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 77% | 0.772 | 80% | 0.804 | S | S | * | * | | | trans | -100.1 | 75.3 | 169.5 | -113.7 | -84.2 | 0 | 0 | 0 | 111.2 | Y129 N133 | Y129-F131 HydrophobicContact CD1-CB 4.38Å; Y129-F131 HydrophobicContact CE1-CB 4.22Å; Y129-F131 HydrophobicContact CE1-CD2 4.48Å; F131-N133 VanDerWaalsContact C-N 3.31Å; F131-N133 PolarHBondContact O-N 3.49Å |
| 132 | G | 31.4 | Very low | 37.2 | Very low | 83 Ų | 83 | 145 Ų | 145 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | trans | -76.4 | 72.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G134 | G132-G134 PolarHBondContact O-N 3.29Š|
| 133 | N | 30.8 | Very low | 37.1 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 68% | 0.679 | 80% | 0.801 | S | S | * | * | | | trans | -77.9 | 104.6 | -179.8 | -164.2 | 23.9 | 0 | 0 | 0 | 111.1 | F131 Y135 | F131-N133 VanDerWaalsContact C-N 3.31Å; F131-N133 PolarHBondContact O-N 3.49Å; N133-Y135 PolarHBondContact O-N 2.98Å |
| 134 | G | 36.7 | Very low | 37.2 | Very low | 68 Ų | 68 | 145.2 Ų | 145.2 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | | | trans | -67.9 | 92.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G132 Y136 | G132-G134 PolarHBondContact O-N 3.29Å; G134-Y136 PolarHBondContact O-N 3.4Å; G134-Y136 VanDerWaalsContact O-N 3.15Å |
| 135 | Y | 40.8 | Very low | 37.2 | Very low | 207 Ų | 207 | 144.5 Ų | 144.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -75.4 | 98.4 | 175.7 | -122.9 | -96.2 | 0 | 0 | 0 | 111.1 | N133 S137 | N133-Y135 PolarHBondContact O-N 2.98Å; Y135-S137 PolarHBondContact O-N 3.24Å; Y135-S137 VanDerWaalsContact O-N 3.07Å |
| 136 | Y | 42.1 | Very low | 37.3 | Very low | 219 Ų | 219 | 144 Ų | 144 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | | | trans | -65.5 | 106.1 | 165.2 | -103.6 | -85.7 | 0 | 0 | 0 | 109.5 | G134 C138 | G134-Y136 PolarHBondContact O-N 3.4Å; G134-Y136 VanDerWaalsContact O-N 3.15Å; Y136-C138 PolarHBondContact O-N 3.39Å |
| 137 | S | 33.5 | Very low | 37.6 | Very low | 92 Ų | 92 | 147.7 Ų | 147.7 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | | | trans | -76.6 | 85.4 | 174.5 | -163.5 | 0 | 0 | 0 | 0 | 110.2 | Y135 R139 | Y135-S137 PolarHBondContact O-N 3.24Å; Y135-S137 VanDerWaalsContact O-N 3.07Å; S137-R139 VanDerWaalsContact C-N 3.31Å; S137-R139 PolarHBondContact O-N 3.43Å |
| 138 | C | 35.3 | Very low | 37.5 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -73.1 | 82.7 | 173.3 | -69.1 | 0 | 0 | 0 | 0 | 110.8 | Y136 M140 | Y136-C138 PolarHBondContact O-N 3.39Å; C138-M140 PolarHBondContact O-N 2.91Å |
| 139 | R | 44.5 | Very low | 37.7 | Very low | 221 Ų | 221 | 146.9 Ų | 146.9 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | -71 | 122.3 | 165.8 | -70 | -70.4 | -178.4 | 166.8 | -0 | 109.4 | S137 | S137-R139 VanDerWaalsContact C-N 3.31Å; S137-R139 PolarHBondContact O-N 3.43Å |
| 140 | M | 35.9 | Very low | 37.5 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | | | trans | -80.4 | 115.7 | 171.9 | -172.7 | 81 | 82.9 | 0 | 0 | 108.8 | C138 H142 | C138-M140 PolarHBondContact O-N 2.91Å; M140-H142 PolarHBondContact O-N 3.26Å |
| 141 | S | 32.3 | Very low | 37.6 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -80.3 | 113.1 | 173.1 | -56 | 0 | 0 | 0 | 0 | 110.2 | G143 | S141-G143 PolarHBondContact O-N 2.76Š|
| 142 | H | 44.7 | Very low | 37.7 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -83.9 | 97.3 | 165.6 | -68.9 | -96.7 | 0 | 0 | 0 | 108.4 | M140 | M140-H142 PolarHBondContact O-N 3.26Š|
| 143 | G | 37.2 | Very low | 37.6 | Very low | 73 Ų | 73 | 143.7 Ų | 143.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | -116.4 | 105.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S141 | S141-G143 PolarHBondContact O-N 2.76Š|
| 144 | V | 47.3 | Very low | 37.5 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | | | trans | -76.7 | 135 | 164.8 | -72.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 145 | G | 37.7 | Very low | 37.8 | Very low | 72 Ų | 72 | 145.9 Ų | 145.9 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | | | trans | -155 | 110.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 146 | L | 42.4 | Very low | 37.3 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | | | trans | -60.3 | 140.2 | 171.4 | -78.4 | 76.1 | 0 | 0 | 0 | 109.3 | | |
| 147 | Q | 36.6 | Very low | 36.7 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | | | trans | -105.7 | 105.4 | 157.1 | -166.3 | -171.5 | 88.7 | 0 | 0 | 108.5 | N149 | Q147-N149 PolarHBondContact OE1-ND2 3.43Š|
| 148 | Q | 36.5 | Very low | 36.8 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -71.7 | 135.3 | 154.7 | -70.2 | 179.3 | 1.2 | 0 | 0 | 107.9 | | |
| 149 | N | 32.4 | Very low | 36.7 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 65% | 0.652 | 80% | 0.804 | S | S | * | * | | | trans | -132.6 | 84.5 | 172 | -137.7 | -31.1 | 0 | 0 | 0 | 107.9 | Q147 L151 | Q147-N149 PolarHBondContact OE1-ND2 3.43Å; N149-L151 PolarHBondContact O-N 2.71Å |
| 150 | A | 33.1 | Very low | 36 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | | | trans | -82.2 | 113.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 151 | L | 44.3 | Very low | 35.6 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 150 | 174.3 | -70.7 | 168.3 | 0 | 0 | 0 | 111 | N149 | N149-L151 PolarHBondContact O-N 2.71Š|
| 152 | K | 36.1 | Very low | 35.7 | Very low | 212 Ų | 212 | 135.2 Ų | 135.2 | 92% | 0.922 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 141.5 | -172.6 | -65.7 | 165.1 | 175.5 | 174.5 | 0 | 113.1 | | |
| 153 | S | 29.1 | Very low | 36 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 151 | 164.9 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 154 | S | 28.9 | Very low | 35.9 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -153.3 | 160.7 | 165.6 | -112.3 | 0 | 0 | 0 | 0 | 108 | | |
| 155 | P | 43.5 | Very low | 35.3 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -86.4 | 155.4 | -133.2 | -12.7 | 29.2 | 0 | 0 | 0 | 115.6 | | |
| 156 | H | 30.1 | Very low | 35.5 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | | | trans | -73.5 | 136 | 176.2 | -177 | -90.8 | 0 | 0 | 0 | 111.9 | | |
| 157 | A | 29.9 | Very low | 35.1 | Very low | 85 Ų | 85 | 141 Ų | 141 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | | | trans | -135.2 | 122.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 158 | S | 34.5 | Very low | 35.5 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | | | trans | 65 | 113.7 | 149.9 | -58.8 | 0 | 0 | 0 | 0 | 122.8 | | |
| 159 | L | 34.1 | Very low | 35.4 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | | | | 68.1 | 116.8 | 124.5 | -62.7 | 168.9 | 0 | 0 | 0 | 122 | | |
| 160 | G | 29.6 | Very low | 35.7 | Very low | 84 Ų | 84 | 137.7 Ų | 137.7 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | | | | 114.8 | 134.7 | 126.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 161 | G | 27.7 | Very low | 36.2 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | trans | 112.8 | 99.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 162 | F | 34.2 | Very low | 35.7 | Very low | 211 Ų | 211 | 134.1 Ų | 134.1 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | | | trans | -85.4 | 177.7 | 149.4 | -78.7 | -79.5 | 0 | 0 | 0 | 109.1 | | |
| 163 | P | 51.1 | Low | 35.8 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | cis | -141.5 | -179.4 | 8.6 | 44.8 | -26.6 | 0 | 0 | 0 | 117.4 | | |
| 164 | V | 36 | Very low | 36.1 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | trans | 76.4 | 150.2 | 138.9 | 107.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 165 | E | 33.3 | Very low | 36.4 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | cis | -156 | 169.9 | 11.9 | -154.9 | 106.2 | -132.6 | 0 | 0 | 113.4 | | |
| 166 | K | 41.2 | Very low | 35.8 | Very low | 198 Ų | 198 | 130.8 Ų | 130.8 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | 77.1 | 140.4 | 163.8 | -70.9 | -178.6 | 168.6 | 172.8 | 0 | 120.7 | | |
| 167 | Y | 34.5 | Very low | 35.9 | Very low | 189 Ų | 189 | 127.3 Ų | 127.3 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | | | cis | -171.6 | 120.9 | -22.3 | -177 | -113.5 | 0 | 0 | 0 | 110.6 | | |
| 168 | M | 45.5 | Very low | 36.2 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 66% | 0.655 | 78% | 0.781 | S | S | * | * | | | trans | 55.1 | 154.6 | 145.9 | -75.3 | -163.1 | 169 | 0 | 0 | 123.1 | | |
| 169 | D | 34.1 | Very low | 36.6 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | cis | -154.3 | 179.6 | -19.5 | -136.7 | -40.4 | 0 | 0 | 0 | 112.1 | | |
| 170 | V | 39.4 | Very low | 36.4 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | | | trans | -90.1 | 144.7 | -173.7 | 142.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 171 | S | 43.2 | Very low | 36.3 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | 10.7 | 136.1 | 154.8 | -48.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 172 | G | 33.5 | Very low | 36.5 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | -162.8 | 104.6 | 165 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 173 | L | 37.7 | Very low | 36.6 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | | | trans | 32.6 | 115.9 | 153.1 | -68.4 | 94.5 | 0 | 0 | 0 | 123.4 | | |
| 174 | A | 36.8 | Very low | 36.5 | Very low | 86 Ų | 86 | 131.5 Ų | 131.5 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | | 47.5 | 131.3 | 114.8 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 175 | S | 35 | Very low | 36.5 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | 103.8 | 148.1 | 139.4 | -62.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 176 | S | 31 | Very low | 36.6 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | 79.3 | 129.9 | -179.6 | -145.4 | 0 | 0 | 0 | 0 | 115 | | |
| 177 | S | 31 | Very low | 36.5 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | cis | -155.7 | 169 | -3.6 | 48.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 178 | V | 36.5 | Very low | 37.2 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | | | trans | -116.5 | 155.1 | 170.5 | -143.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 179 | P | 43.2 | Very low | 37 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | | -143.6 | 152.9 | 93 | 35.5 | -19.2 | 0 | 0 | 0 | 116.4 | | |
| 180 | A | 30 | Very low | 37.5 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 60% | 0.603 | 78% | 0.781 | S | S | * | * | | | trans | 13.1 | 127.8 | 151 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 181 | N | 28 | Very low | 37.6 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | cis | -164.3 | 173.2 | 46.6 | -78.5 | -69.3 | 0 | 0 | 0 | 110.3 | | |
| 182 | E | 30.5 | Very low | 37.3 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | cis | -129.5 | 160 | -3.3 | -70.7 | -171.9 | 138.5 | 0 | 0 | 110.6 | | |
| 183 | V | 36.8 | Very low | 37.3 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | trans | -154.4 | 152.4 | 176.3 | 167.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 184 | P | 49.5 | Very low | 37.4 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | cis | -134.2 | 176.8 | 10.6 | 21.7 | 3.9 | 0 | 0 | 0 | 117.6 | | |
| 185 | A | 35.4 | Very low | 37.4 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | trans | 128.7 | 138.3 | 132.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 186 | R | 35.1 | Very low | 37.6 | Very low | 211 Ų | 211 | 140.8 Ų | 140.8 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | | | cis | -129.6 | 153.5 | 14.9 | -175.1 | 173.4 | 176.4 | 127.7 | 12 | 112.6 | E189 | R186-E189 IonicContact CZ-OE1 3.62Å; R186-E189 IonicContact NE-OE1 2.7Å; R186-E189 PolarHBondContact NE-OE1 2.91Å; R186-E189 IonicContact NH2-OE1 3.13Å; R186-E189 PolarHBondContact NH2-OE1 2.75Å; R186-E189 IonicContact NH2-OE2 2.64Å |
| 187 | A | 39.8 | Very low | 38.2 | Very low | 69 Ų | 69 | 140.7 Ų | 140.7 | 57% | 0.57 | 77% | 0.771 | S | S | * | * | | | trans | -74.1 | 159.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E189 | A187-E189 PolarHBondContact O-N 3.05Š|
| 188 | K | 49.3 | Very low | 38.3 | Very low | 214 Ų | 214 | 141.2 Ų | 141.2 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | | | trans | -66.5 | 116.2 | 147.2 | -71 | 172.8 | 177.8 | 172 | 0 | 107.6 | | |
| 189 | E | 40.3 | Very low | 38.9 | Very low | 121 Ų | 121 | 140 Ų | 140 | 57% | 0.565 | 77% | 0.769 | S | S | * | * | | | trans | -127.9 | 90.4 | 175.4 | 49.1 | -150.9 | 159 | 0 | 0 | 110.9 | R186 A187 S191 | R186-E189 IonicContact CZ-OE1 3.62Å; R186-E189 IonicContact NE-OE1 2.7Å; R186-E189 PolarHBondContact NE-OE1 2.91Å; R186-E189 IonicContact NH2-OE1 3.13Å; R186-E189 PolarHBondContact NH2-OE1 2.75Å; R186-E189 IonicContact NH2-OE2 2.64Å; A187-E189 PolarHBondContact O-N 3.05Å; E189-S191 PolarHBondContact O-N 2.96Å |
| 190 | V | 44.9 | Very low | 38.6 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | | | trans | -78.5 | 99 | 153.2 | 173.5 | 0 | 0 | 0 | 0 | 106.2 | | |
| 191 | S | 41 | Very low | 39.4 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | 179 | 122.8 | 138.1 | -83 | 0 | 0 | 0 | 0 | 113.1 | E189 | E189-S191 PolarHBondContact O-N 2.96Š|
| 192 | F | 38.2 | Very low | 40.2 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | | 70.3 | 91.6 | 129 | -148.8 | -86.2 | 0 | 0 | 0 | 120.2 | Q194 | F192-Q194 HydrophobicContact CE1-CB 4.25Š|
| 193 | Y | 32.8 | Very low | 41.1 | Very low | 219 Ų | 219 | 147.6 Ų | 147.6 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | | | | -141.3 | 119.9 | 127.4 | -106.4 | -95.3 | 0 | 0 | 0 | 105.4 | | |
| 194 | Q | 41.1 | Very low | 41.8 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | | 59.6 | 94.8 | 63.9 | -164.6 | 76.9 | 8.4 | 0 | 0 | 110.6 | F192 | F192-Q194 HydrophobicContact CE1-CB 4.25Š|
| 195 | G | 35.7 | Very low | 41.9 | Very low | 64 Ų | 64 | 144 Ų | 144 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | | | trans | 166.3 | 18.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | T197 | G195-T197 VanDerWaalsContact C-N 3.33Å; G195-T197 PolarHBondContact O-N 3.19Å |
| 196 | Y | 39.2 | Very low | 42.7 | Very low | 245 Ų | 245 | 149.7 Ų | 149.7 | 96% | 0.961 | 77% | 0.771 | S | S | * | * | | | trans | -78.9 | 82.8 | 171 | -97.2 | -84.2 | 0 | 0 | 0 | 110.7 | | |
| 197 | T | 43.9 | Very low | 43.2 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -136.8 | 79.3 | 176.6 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | G195 | G195-T197 VanDerWaalsContact C-N 3.33Å; G195-T197 PolarHBondContact O-N 3.19Å |
| 198 | S | 33.7 | Very low | 43.8 | Very low | 120 Ų | 120 | 151 Ų | 151 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -169.5 | 152.5 | 142.1 | -93.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 199 | P | 48.1 | Very low | 44 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 131.4 | -155.2 | 34.2 | -33.8 | 0 | 0 | 0 | 113.1 | | |
| 200 | Y | 37.4 | Very low | 44.1 | Very low | 235 Ų | 235 | 150.7 Ų | 150.7 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 130.7 | 156.8 | -114 | -98.6 | 0 | 0 | 0 | 109.3 | H202 | Y200-H202 PolarHBondContact O-N 3.17Š|
| 201 | Q | 46.1 | Very low | 44.1 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 119.2 | 179.5 | -66.5 | -77.8 | -47 | 0 | 0 | 110.2 | V203 | Q201-V203 PolarHBondContact O-N 3.01Å; Q201-V203 VanDerWaalsContact O-N 3.16Å |
| 202 | H | 45.5 | Very low | 44.1 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | | | trans | -73.9 | 102.9 | 173.6 | 179.6 | -86.5 | 0 | 0 | 0 | 109.3 | Y200 P204 | Y200-H202 PolarHBondContact O-N 3.17Å; H202-P204 VanDerWaalsContact O-CD 3.23Å; H202-P204 WeakPolarHBondContact O-CD 3.41Å |
| 203 | V | 48.7 | Very low | 44 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -82.1 | 108.9 | 170.8 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | Q201 | Q201-V203 PolarHBondContact O-N 3.01Å; Q201-V203 VanDerWaalsContact O-N 3.16Å |
| 204 | P | 53.3 | Low | 44 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | | | trans | -77.3 | 143.8 | -177 | -9.9 | 28.1 | 0 | 0 | 0 | 111.6 | H202 | H202-P204 VanDerWaalsContact O-CD 3.23Å; H202-P204 WeakPolarHBondContact O-CD 3.41Å |
| 205 | G | 51.5 | Low | 43.9 | Very low | 77 Ų | 77 | 143.6 Ų | 143.6 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 116.7 | 45.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 206 | Y | 51.1 | Low | 43.7 | Very low | 220 Ų | 220 | 144.4 Ų | 144.4 | 86% | 0.863 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -145.1 | -15.6 | 162.9 | -161 | -104.7 | 0 | 0 | 0 | 118 | | |
| 207 | I | 46.8 | Very low | 43.5 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -119.2 | 45.9 | -168.5 | -37.1 | -178.1 | 0 | 0 | 0 | 112.7 | | |
| 208 | D | 51.1 | Low | 43.5 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | -148 | 49.8 | 174.8 | -152.3 | 10.3 | 0 | 0 | 0 | 114.4 | | |
| 209 | M | 53.7 | Low | 43.4 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -135.2 | 13.7 | 169 | -78.6 | -171.4 | -170.8 | 0 | 0 | 114 | | |
| 210 | V | 42.4 | Very low | 42.8 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -131.6 | 58.9 | 172.6 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 211 | S | 45.5 | Very low | 42.6 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | | | trans | -146.6 | 70.1 | 167.2 | -85.4 | 0 | 0 | 0 | 0 | 110 | | |
| 212 | T | 40.9 | Very low | 42.4 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | | | trans | -144.3 | 96.8 | 168.3 | -47.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 213 | F | 35.1 | Very low | 42.1 | Very low | 201 Ų | 201 | 141.6 Ų | 141.6 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | | | trans | -133.8 | 111.7 | 155.9 | 35.4 | -98.4 | 0 | 0 | 0 | 107.5 | | |
| 214 | G | 33 | Very low | 41.8 | Very low | 69 Ų | 69 | 142.9 Ų | 142.9 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | 163.7 | 100.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 215 | S | 39.2 | Very low | 41 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 94% | 0.937 | 79% | 0.789 | S | S | * | * | | | trans | 65.3 | 103.8 | 154 | -170 | 0 | 0 | 0 | 0 | 119.6 | | |
| 216 | G | 31.1 | Very low | 40.5 | Very low | 80 Ų | 80 | 146.1 Ų | 146.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | 164 | 85.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 217 | E | 35.9 | Very low | 40.3 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -92.4 | 149.8 | 160.4 | -170.7 | 58 | -133.3 | 0 | 0 | 106.5 | | |
| 218 | P | 44.3 | Very low | 40.2 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 53% | 0.526 | 78% | 0.776 | S | S | . | * | | | cis | -142.6 | 179.4 | 27.1 | 47.1 | -30.4 | 0 | 0 | 0 | 118.1 | | |
| 219 | R | 31.4 | Very low | 39.3 | Very low | 197 Ų | 197 | 141.6 Ų | 141.6 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | 68.6 | 117 | 157.5 | -66.6 | 171.6 | 179.8 | 87.9 | 5.7 | 118.6 | | |
| 220 | H | 34.5 | Very low | 38.5 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | | -169.2 | 141.1 | 92 | -102.3 | -78.1 | 0 | 0 | 0 | 112.9 | | |
| 221 | E | 33.8 | Very low | 38 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | | | trans | -61.3 | 135.7 | 173.5 | -78.4 | -79.2 | 170.6 | 0 | 0 | 113.1 | | |
| 222 | A | 41.3 | Very low | 37.9 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | trans | -149.5 | 86.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I224 | A222-I224 PolarHBondContact O-N 3.27Š|
| 223 | Y | 39.4 | Very low | 38.6 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | | | trans | -64.5 | 112.1 | 179.3 | -168.3 | -88.1 | 0 | 0 | 0 | 111.7 | | |
| 224 | I | 42.7 | Very low | 39.4 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | | | trans | -132.5 | 102 | 159.7 | -45 | -178.6 | 0 | 0 | 0 | 108.7 | A222 M226 | A222-I224 PolarHBondContact O-N 3.27Å; I224-M226 PolarHBondContact O-N 2.95Å |
| 225 | S | 36.8 | Very low | 39.9 | Very low | 88 Ų | 88 | 141.2 Ų | 141.2 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | | | trans | -75.4 | 119.8 | 168.4 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 226 | M | 39.5 | Very low | 40.1 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | | | trans | -140.8 | 91.1 | 162 | -97.8 | -56.1 | -63.3 | 0 | 0 | 110.8 | I224 G228 | I224-M226 PolarHBondContact O-N 2.95Å; M226-G228 PolarHBondContact O-N 3.21Å |
| 227 | E | 48.6 | Very low | 40.3 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | -43 | 125.9 | 152.7 | -178.7 | 61.9 | -139.9 | 0 | 0 | 110.2 | | |
| 228 | G | 44.5 | Very low | 40.7 | Very low | 65 Ų | 65 | 145 Ų | 145 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | | | trans | 142.9 | 6.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | M226 | M226-G228 PolarHBondContact O-N 3.21Š|
| 229 | Y | 32.6 | Very low | 40.9 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | | | trans | -127.7 | 88.2 | 173.2 | -139.5 | -102 | 0 | 0 | 0 | 113 | S231 | Y229-S231 VanDerWaalsContact C-N 3.34Å; Y229-S231 PolarHBondContact O-N 3.32Å |
| 230 | Q | 36.1 | Very low | 41.4 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | | | trans | -65 | 94.2 | 166.8 | -81.1 | -70.3 | -19.9 | 0 | 0 | 109.5 | W232 | Q230-W232 PolarHBondContact O-N 3.27Š|
| 231 | S | 31.4 | Very low | 41.7 | Very low | 74 Ų | 74 | 143.4 Ų | 143.4 | 52% | 0.517 | 76% | 0.757 | S | S | . | * | | | trans | -57.3 | 124.1 | 168.5 | -74.1 | 0 | 0 | 0 | 0 | 109.2 | Y229 T233 | Y229-S231 VanDerWaalsContact C-N 3.34Å; Y229-S231 PolarHBondContact O-N 3.32Å; S231-T233 PolarHBondContact O-N 3.29Å |
| 232 | W | 44.7 | Very low | 42.1 | Very low | 208 Ų | 208 | 141.6 Ų | 141.6 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | | | trans | -72 | 62.5 | 174.3 | 45 | -85.1 | 0 | 0 | 0 | 110.3 | Q230 L234 | Q230-W232 PolarHBondContact O-N 3.27Å; W232-L234 HydrophobicContact CE3-CD1 4.02Å; W232-L234 HydrophobicContact CZ3-CD1 3.96Å; W232-L234 PolarHBondContact O-N 3.49Å |
| 233 | T | 55.3 | Low | 41.8 | Very low | 121 Ų | 121 | 147 Ų | 147 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | trans | -62.4 | 107.7 | 173.8 | 42.5 | 0 | 0 | 0 | 0 | 108.6 | S231 A235 | S231-T233 PolarHBondContact O-N 3.29Å; T233-A235 PolarHBondContact O-N 3.02Å |
| 234 | L | 51.5 | Low | 42.1 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | | | trans | -63 | 87.6 | 169.8 | -84.5 | 135.5 | 0 | 0 | 0 | 108.8 | W232 N236 | W232-L234 HydrophobicContact CE3-CD1 4.02Å; W232-L234 HydrophobicContact CZ3-CD1 3.96Å; W232-L234 PolarHBondContact O-N 3.49Å; L234-N236 PolarHBondContact O-N 2.97Å |
| 235 | A | 43.9 | Very low | 41.8 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -62.1 | 88.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | T233 | T233-A235 PolarHBondContact O-N 3.02Š|
| 236 | N | 42.1 | Very low | 42 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | | | trans | 176.1 | 59 | 156.5 | -84 | -30.6 | 0 | 0 | 0 | 109.3 | L234 | L234-N236 PolarHBondContact O-N 2.97Š|
| 237 | G | 35.3 | Very low | 41.9 | Very low | 60 Ų | 60 | 142.8 Ų | 142.8 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | | | trans | -67.1 | 130.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | N239 | G237-N239 PolarHBondContact O-N 3.3Š|
| 238 | W | 45.1 | Very low | 41.5 | Very low | 261 Ų | 261 | 143.1 Ų | 143.1 | 99% | 0.989 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -74.8 | 37.5 | -174.4 | -82.3 | 69.1 | 0 | 0 | 0 | 114.2 | | |
| 239 | N | 49 | Very low | 41.7 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | trans | -152.3 | 96.2 | 171.1 | -159.4 | -26.6 | 0 | 0 | 0 | 109.7 | G237 | G237-N239 PolarHBondContact O-N 3.3Š|
| 240 | S | 40.8 | Very low | 42.4 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -141.6 | 97.2 | 167.2 | -73.1 | 0 | 0 | 0 | 0 | 107.8 | V242 | S240-V242 PolarHBondContact O-N 3.4Š|
| 241 | Q | 40.5 | Very low | 42.7 | Very low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | trans | -63.2 | 118 | -178.4 | -176.6 | 172 | -19.6 | 0 | 0 | 110 | Y243 | Q241-Y243 PolarHBondContact O-N 3.44Š|
| 242 | V | 43.3 | Very low | 42.9 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -75.6 | 89.7 | -177.8 | -73.1 | 0 | 0 | 0 | 0 | 111.4 | S240 | S240-V242 PolarHBondContact O-N 3.4Š|
| 243 | Y | 35.1 | Very low | 43.2 | Very low | 206 Ų | 206 | 136.7 Ų | 136.7 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | | | trans | -84.5 | 107.8 | 164.5 | -170.3 | -99.1 | 0 | 0 | 0 | 109.5 | Q241 A245 | Q241-Y243 PolarHBondContact O-N 3.44Å; Y243-A245 HydrophobicContact CD1-CB 4.26Å; Y243-A245 HydrophobicContact CE1-CB 4.29Å; Y243-A245 PolarHBondContact O-N 3.43Å |
| 244 | C | 45.5 | Very low | 43 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | -74.6 | 94.7 | 176 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 245 | A | 37.2 | Very low | 42.7 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -89.4 | 152.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y243 | Y243-A245 HydrophobicContact CD1-CB 4.26Å; Y243-A245 HydrophobicContact CE1-CB 4.29Å; Y243-A245 PolarHBondContact O-N 3.43Å |
| 246 | K | 40.8 | Very low | 42.7 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | trans | -99.1 | 151 | -160.9 | 163.8 | 176 | 173.9 | -179.9 | 0 | 112.5 | | |
| 247 | D | 37.5 | Very low | 42.7 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | | | trans | 69.9 | 110.9 | 166.4 | -82.6 | -68.4 | 0 | 0 | 0 | 121.2 | | |
| 248 | Q | 38.5 | Very low | 43.3 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | | 48 | 148.5 | 122.1 | -155.2 | 178.2 | 50.2 | 0 | 0 | 122 | | |
| 249 | P | 49.3 | Very low | 43.2 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | | | cis | -128 | -172.2 | -36.2 | 38.6 | -22.2 | 0 | 0 | 0 | 113.8 | | |
| 250 | Q | 47.8 | Very low | 43.3 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | | | trans | 77.1 | 124.8 | 167.5 | -59.3 | -64.8 | -5.2 | 0 | 0 | 118.2 | | |
| 251 | G | 41.5 | Very low | 43.3 | Very low | 71 Ų | 71 | 137.3 Ų | 137.3 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | | | trans | 153.2 | 82.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 252 | S | 36 | Very low | 43.6 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | trans | -69.9 | 154 | -161.3 | 56.1 | 0 | 0 | 0 | 0 | 115.3 | F254 | S252-F254 PolarHBondContact O-N 2.9Š|
| 253 | H | 50.7 | Low | 43.7 | Very low | 126 Ų | 126 | 136 Ų | 136 | 58% | 0.583 | 75% | 0.746 | S | S | * | * | | | trans | -69.9 | 87.5 | -169.3 | -52.4 | -73.3 | 0 | 0 | 0 | 114.4 | W255 K256 | H253-W255 PolarHBondContact O-N 3.32Å; H253-K256 HydrophobicContact CB-CB 4.04Å; H253-K256 PolarHBondContact O-N 3.04Å |
| 254 | F | 50.8 | Low | 44.7 | Very low | 200 Ų | 200 | 130.2 Ų | 130.2 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -14.8 | 176.2 | 72.1 | -96.2 | 0 | 0 | 0 | 114.9 | S252 | S252-F254 PolarHBondContact O-N 2.9Š|
| 255 | W | 46.8 | Very low | 44.8 | Very low | 191 Ų | 191 | 131.4 Ų | 131.4 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 2.6 | 179.7 | 65.5 | -91.4 | 0 | 0 | 0 | 115.3 | H253 | H253-W255 PolarHBondContact O-N 3.32Š|
| 256 | K | 43.2 | Very low | 45.4 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 57% | 0.574 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -108.3 | 109.6 | 169.1 | -85 | -178.7 | 169.6 | -179.4 | 0 | 109.8 | H253 S258 | H253-K256 HydrophobicContact CB-CB 4.04Å; H253-K256 PolarHBondContact O-N 3.04Å; K256-S258 PolarHBondContact O-N 2.59Å |
| 257 | S | 42.3 | Very low | 45.2 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 50% | 0.497 | 73% | 0.731 | S | S | . | * | | | trans | -71.8 | 109.6 | 170.6 | 62.4 | 0 | 0 | 0 | 0 | 110.1 | F259 R274 | S257-F259 PolarHBondContact O-N 3.42Å; S257-R274 PolarHBondContact OG-NH2 2.73Å |
| 258 | S | 47.9 | Very low | 45.7 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | | | trans | -68.8 | 121.7 | 165.4 | -62.8 | 0 | 0 | 0 | 0 | 110 | K256 | K256-S258 PolarHBondContact O-N 2.59Š|
| 259 | F | 42.2 | Very low | 46.3 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 75% | 0.75 | 72% | 0.724 | S | S | * | * | | | trans | -123.5 | 112.3 | 152 | -75.2 | -73.8 | 0 | 0 | 0 | 106.7 | S257 | S257-F259 PolarHBondContact O-N 3.42Š|
| 260 | P | 51.7 | Low | 46.6 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | | | trans | -78.4 | 135.9 | 167.4 | 32.3 | -30.5 | 0 | 0 | 0 | 108.9 | | |
| 261 | G | 40.3 | Very low | 46.9 | Very low | 76 Ų | 76 | 125.5 Ų | 125.5 | 78% | 0.784 | 72% | 0.718 | S | S | * | * | | | trans | 148.1 | 83.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V263 | G261-V263 PolarHBondContact O-N 3.3Š|
| 262 | D | 47 | Very low | 47.5 | Very low | 150 Ų | 150 | 126.4 Ų | 126.4 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | | | trans | -74.4 | 110.6 | 160.3 | -179.6 | 5.8 | 0 | 0 | 0 | 109 | A264 | D262-A264 PolarHBondContact OD1-N 3.05Š|
| 263 | V | 45.4 | Very low | 48.3 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | | | trans | -139.5 | 98.7 | 148.3 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | G261 L265 | G261-V263 PolarHBondContact O-N 3.3Å; V263-L265 PolarHBondContact O-N 3.3Å |
| 264 | A | 56.2 | Low | 48.6 | Very low | 84 Ų | 84 | 133.4 Ų | 133.4 | 69% | 0.694 | 72% | 0.715 | S | S | * | * | | | trans | -67.1 | 115.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D262 | D262-A264 PolarHBondContact OD1-N 3.05Š|
| 265 | L | 48.7 | Very low | 48.8 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | | | trans | -166.1 | 126.9 | 137.9 | -106.5 | 176 | 0 | 0 | 0 | 112.5 | V263 | V263-L265 PolarHBondContact O-N 3.3Š|
| 266 | N | 47.8 | Very low | 49.6 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | | | trans | 29.3 | 100.2 | 158.4 | -82.5 | -80.3 | 0 | 0 | 0 | 119.9 | | |
| 267 | Q | 38.6 | Very low | 51.1 | Low | 122 Ų | 122 | 133.9 Ų | 133.9 | 57% | 0.57 | 73% | 0.731 | S | S | * | * | | | trans | -155.5 | 106.6 | 158.3 | -119 | -71 | 6 | 0 | 0 | 111.6 | D269 | Q267-D269 PolarHBondContact O-N 2.6Š|
| 268 | P | 47.3 | Very low | 53.1 | Low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -4.9 | -175.1 | 30.6 | -34.3 | 0 | 0 | 0 | 115.7 | | |
| 269 | D | 50.4 | Low | 55 | Low | 99 Ų | 99 | 143.7 Ų | 143.7 | 53% | 0.529 | 75% | 0.751 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.4 | -1.1 | -166.9 | -78.4 | -69.3 | 0 | 0 | 0 | 116.7 | Q267 C271 | Q267-D269 PolarHBondContact O-N 2.6Å; D269-C271 PolarHBondContact O-N 3.16Å |
| 270 | M | 56 | Low | 57.3 | Low | 120 Ų | 120 | 147.4 Ų | 147.4 | 59% | 0.591 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 21.6 | -170.6 | -62.6 | -57.4 | 124.5 | 0 | 0 | 116.2 | | |
| 271 | C | 53.1 | Low | 59.3 | Low | 121 Ų | 121 | 147.3 Ų | 147.3 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 1.2 | 178 | -82.3 | 0 | 0 | 0 | 0 | 115 | D269 | D269-C271 PolarHBondContact O-N 3.16Š|
| 272 | V | 55.8 | Low | 61.9 | Low | 90 Ų | 90 | 149 Ų | 149 | 55% | 0.545 | 75% | 0.753 | S | S | . | * | S | Bend | trans | -87 | -29.1 | -169.2 | -170.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 273 | Y | 51.9 | Low | 64.3 | Low | 186 Ų | 186 | 145.3 Ų | 145.3 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -19 | -161.7 | -59.6 | -72.8 | 0 | 0 | 0 | 116.3 | | |
| 274 | R | 56.5 | Low | 66.8 | Low | 194 Ų | 194 | 142.4 Ų | 142.4 | 73% | 0.732 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -4.2 | -175.3 | -70.8 | -82.8 | -91.5 | -106.9 | -3.5 | 115.3 | S257 | S257-R274 PolarHBondContact OG-NH2 2.73Š|
| 275 | R | 55.9 | Low | 68.8 | Low | 229 Ų | 229 | 147.5 Ų | 147.5 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -160.6 | 78.7 | 168.7 | -164.8 | 171.7 | -75.5 | -142.6 | -0.7 | 110.7 | R277 | R275-R277 VanDerWaalsContact C-N 3.26Å; R275-R277 PolarHBondContact O-N 3.22Å |
| 276 | G | 62.5 | Low | 71 | Confident | 77 Ų | 77 | 146 Ų | 146 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | | | trans | -65.8 | 50.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 277 | R | 76.4 | Confident | 73.4 | Confident | 227 Ų | 227 | 140.4 Ų | 140.4 | 86% | 0.857 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -103.4 | 126.5 | 160.3 | -67.3 | -167 | -172.1 | -138.9 | 4.1 | 109.2 | R275 K279 | R275-R277 VanDerWaalsContact C-N 3.26Å; R275-R277 PolarHBondContact O-N 3.22Å; R277-K279 PolarHBondContact O-N 3.05Å |
| 278 | K | 83.9 | Confident | 76.2 | Confident | 205 Ų | 205 | 137.4 Ų | 137.4 | 89% | 0.891 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 123.8 | 171.1 | -162.3 | 84.5 | 171 | -178.1 | 0 | 108.8 | R280 | K278-R280 PolarHBondContact O-N 2.88Š|
| 279 | K | 86.9 | Confident | 78.6 | Confident | 182 Ų | 182 | 138.4 Ų | 138.4 | 79% | 0.791 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 136.7 | 178.1 | -66.4 | -79.3 | -174.6 | 167.2 | 0 | 108.8 | R277 V281 | R277-K279 PolarHBondContact O-N 3.05Å; K279-V281 PolarHBondContact O-N 2.95Å |
| 280 | R | 91.4 | Very high | 80.9 | Confident | 250 Ų | 250 | 136.8 Ų | 136.8 | 94% | 0.943 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 120 | 178.5 | -82 | -177 | 159.6 | 175.8 | -5.7 | 109.4 | K278 | K278-R280 PolarHBondContact O-N 2.88Š|
| 281 | V | 92.9 | Very high | 82.8 | Confident | 127 Ų | 127 | 131.1 Ų | 131.1 | 77% | 0.77 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 125.6 | 171.1 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | K279 | K279-V281 PolarHBondContact O-N 2.95Š|
| 282 | P | 95.2 | Very high | 85 | Confident | 110 Ų | 110 | 129.1 Ų | 129.1 | 71% | 0.714 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 148.7 | 173.5 | 30.9 | -34.2 | 0 | 0 | 0 | 110.8 | | |
| 283 | Y | 97.1 | Very high | 87 | Confident | 74 Ų | 74 | 129 Ų | 129 | 29% | 0.29 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -71.6 | 144.6 | 173.1 | -58.7 | -53.7 | 0 | 0 | 0 | 111 | L288 L315 W323 | Y283-L288 HydrophobicContact CD2-CD2 4.21Å; Y283-L288 HydrophobicContact CG-CD2 4.5Å; Y283-L315 HydrophobicContact CD1-CD1 3.94Å; Y283-L315 HydrophobicContact CD1-CD2 3.78Å; Y283-L315 HydrophobicContact CE1-CD1 3.94Å; Y283-L315 HydrophobicContact CE1-CD2 3.7Å; Y283-L315 HydrophobicContact CE1-CG 4.49Å; Y283-W323 AromaticContact CD2-CD1 3.89Å; Y283-W323 AromaticContact CE2-CD1 3.73Å |
| 284 | T | 98 | Very high | 89.1 | Confident | 76 Ų | 76 | 121.7 Ų | 121.7 | 47% | 0.466 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -72.8 | 160 | 178.3 | 75 | 0 | 0 | 0 | 0 | 111.3 | L286 Q287 L288 | T284-L286 PolarHBondContact O-N 2.71Å; T284-Q287 PolarHBondContact O-N 2.9Å; T284-Q287 WeakPolarHBondContact OG1-CG 3.4Å; T284-Q287 PolarHBondContact OG1-N 3.42Å; T284-L288 WeakPolarHBondContact O-CG 3.46Å; T284-L288 PolarHBondContact O-N 3.3Å |
| 285 | K | 97.5 | Very high | 91.1 | Very high | 191 Ų | 191 | 113 Ų | 113 | 83% | 0.83 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.2 | -37.8 | 177.2 | -66.5 | -174.9 | 179.6 | -179.4 | 0 | 112.3 | L288 K289 | K285-L288 PolarHBondContact O-N 3.19Å; K285-K289 WeakPolarHBondContact O-CB 3.27Å; K285-K289 PolarHBondContact O-N 3.07Å |
| 286 | L | 96.8 | Very high | 93 | Very high | 118 Ų | 118 | 105.5 Ų | 105.5 | 62% | 0.618 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.2 | -46.8 | 177.1 | -176.3 | 64.2 | 0 | 0 | 0 | 111.6 | T284 L288 K289 E290 | T284-L286 PolarHBondContact O-N 2.71Å; L286-L288 VanDerWaalsContact C-N 3.3Å; L286-L288 PolarHBondContact O-N 3.15Å; L286-K289 PolarHBondContact O-N 3.02Å; L286-E290 PolarHBondContact O-N 2.96Å; L286-E290 VanDerWaalsContact O-N 3.13Å |
| 287 | Q | 97.6 | Very high | 94.6 | Very high | 31 Ų | 31 | 107.4 Ų | 107.4 | 15% | 0.145 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 176.2 | -71.6 | 173.2 | -28.2 | 0 | 0 | 111.7 | T284 L291 T313 L315 | T284-Q287 PolarHBondContact O-N 2.9Å; T284-Q287 WeakPolarHBondContact OG1-CG 3.4Å; T284-Q287 PolarHBondContact OG1-N 3.42Å; Q287-L291 WeakPolarHBondContact O-CB 3.29Å; Q287-L291 VanDerWaalsContact O-CD1 3.31Å; Q287-L291 WeakPolarHBondContact O-CD1 3.38Å; Q287-L291 WeakPolarHBondContact O-CG 3.43Å; Q287-L291 PolarHBondContact O-N 3.23Å; Q287-L291 VanDerWaalsContact O-N 3.14Å; Q287-T313 WeakPolarHBondContact CG-O 3.43Å; Q287-T313 PolarHBondContact NE2-O 2.93Å; Q287-L315 HydrophobicContact CB-CD1 4.39Å; Q287-L315 HydrophobicContact CG-CD1 4.48Å |
| 288 | L | 97.7 | Very high | 95.5 | Very high | 60 Ų | 60 | 100.2 Ų | 100.2 | 31% | 0.314 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.1 | -67.6 | 174.7 | 0 | 0 | 0 | 112 | Y283 T284 K285 L286 E290 L291 E292 | Y283-L288 HydrophobicContact CD2-CD2 4.21Å; Y283-L288 HydrophobicContact CG-CD2 4.5Å; T284-L288 WeakPolarHBondContact O-CG 3.46Å; T284-L288 PolarHBondContact O-N 3.3Å; K285-L288 PolarHBondContact O-N 3.19Å; L286-L288 VanDerWaalsContact C-N 3.3Å; L286-L288 PolarHBondContact O-N 3.15Å; L288-E290 PolarHBondContact O-N 2.78Å; L288-L291 PolarHBondContact O-N 3.48Å; L288-E292 WeakPolarHBondContact O-CB 3.44Å; L288-E292 WeakPolarHBondContact O-CG 3.43Å; L288-E292 PolarHBondContact O-N 3.43Å |
| 289 | K | 97.8 | Very high | 96.1 | Very high | 140 Ų | 140 | 94.6 Ų | 94.6 | 61% | 0.609 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -57.6 | -49 | 177.6 | -176.3 | -172.9 | 174.6 | -169.9 | 0 | 112 | K285 L286 E292 N293 | K285-K289 WeakPolarHBondContact O-CB 3.27Å; K285-K289 PolarHBondContact O-N 3.07Å; L286-K289 PolarHBondContact O-N 3.02Å; K289-E292 PolarHBondContact O-N 2.88Å; K289-N293 VanDerWaalsContact O-CB 3.31Å; K289-N293 WeakPolarHBondContact O-CB 3.47Å; K289-N293 PolarHBondContact O-N 2.92Å |
| 290 | E | 97 | Very high | 96.5 | Very high | 65 Ų | 65 | 91.8 Ų | 91.8 | 30% | 0.304 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 179.2 | -65.2 | -51.5 | 133.7 | 0 | 0 | 112.2 | L286 L288 E292 N293 E294 T313 | L286-E290 PolarHBondContact O-N 2.96Å; L286-E290 VanDerWaalsContact O-N 3.13Å; L288-E290 PolarHBondContact O-N 2.78Å; E290-E292 PolarHBondContact O-N 2.77Å; E290-N293 PolarHBondContact O-N 3.22Å; E290-E294 PolarHBondContact O-N 3.46Å; E290-E294 VanDerWaalsContact O-N 3.1Å; E290-T313 HydrophobicContact CB-CG2 3.74Å; E290-T313 HydrophobicContact CG-CG2 4.29Å |
| 291 | L | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 176.5 | -71.8 | 165.1 | 0 | 0 | 0 | 112.4 | Q287 L288 Y295 I309 L315 V320 W323 F324 | Q287-L291 WeakPolarHBondContact O-CB 3.29Å; Q287-L291 VanDerWaalsContact O-CD1 3.31Å; Q287-L291 WeakPolarHBondContact O-CD1 3.38Å; Q287-L291 WeakPolarHBondContact O-CG 3.43Å; Q287-L291 PolarHBondContact O-N 3.23Å; Q287-L291 VanDerWaalsContact O-N 3.14Å; L288-L291 PolarHBondContact O-N 3.48Å; L291-Y295 WeakPolarHBondContact O-CB 3.25Å; L291-Y295 PolarHBondContact O-N 3.01Å; L291-Y295 VanDerWaalsContact O-N 3.09Å; L291-I309 HydrophobicContact CD2-CG2 3.72Å; L291-I309 HydrophobicContact CG-CG2 4.5Å; L291-L315 HydrophobicContact CD1-CD1 3.91Å; L291-V320 HydrophobicContact CD2-CG1 4.14Å; L291-V320 HydrophobicContact CD2-CG2 4.48Å; L291-W323 HydrophobicContact CB-CD2 3.92Å; L291-W323 HydrophobicContact CB-CE3 3.91Å; L291-W323 HydrophobicContact CB-CH2 3.72Å; L291-W323 HydrophobicContact CB-CZ2 3.7Å; L291-W323 HydrophobicContact CB-CZ3 3.82Å; L291-W323 HydrophobicContact CD1-CD2 3.93Å; L291-W323 HydrophobicContact CD1-CG 3.85Å; L291-W323 HydrophobicContact CD2-CD2 4.26Å; L291-W323 HydrophobicContact CD2-CE3 4.16Å; L291-W323 HydrophobicContact CD2-CG 4.49Å; L291-W323 HydrophobicContact CG-CD2 4.27Å; L291-W323 HydrophobicContact CG-CE3 4.46Å; L291-W323 WeakPolarHBondContact O-CH2 3.43Å; L291-W323 WeakPolarHBondContact O-CZ3 3.34Å; L291-F324 HydrophobicContact CD2-CD2 4.47Å; L291-F324 HydrophobicContact CD2-CE2 4.02Å |
| 292 | E | 97.8 | Very high | 97 | Very high | 80 Ų | 80 | 80.3 Ų | 80.3 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -74 | -38.1 | 177.9 | -72.1 | -168 | 138.4 | 0 | 0 | 112.9 | L288 K289 E290 Y295 A296 W323 R327 | L288-E292 WeakPolarHBondContact O-CB 3.44Å; L288-E292 WeakPolarHBondContact O-CG 3.43Å; L288-E292 PolarHBondContact O-N 3.43Å; K289-E292 PolarHBondContact O-N 2.88Å; E290-E292 PolarHBondContact O-N 2.77Å; E292-Y295 PolarHBondContact O-N 3.31Å; E292-A296 PolarHBondContact O-N 3.47Å; E292-W323 HydrophobicContact CG-CH2 3.7Å; E292-W323 HydrophobicContact CG-CZ2 3.71Å; E292-R327 IonicContact OE1-CZ 2.72Å; E292-R327 IonicContact OE1-NE 3.56Å; E292-R327 IonicContact OE1-NH2 3.83Å; E292-R327 PolarHBondContact OE1-NH2 3.49Å |
| 293 | N | 97.6 | Very high | 97.1 | Very high | 87 Ų | 87 | 82 Ų | 82 | 47% | 0.465 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.3 | -51.4 | 173.6 | -178.3 | 43.7 | 0 | 0 | 0 | 111.1 | K289 E290 Y295 A296 I297 | K289-N293 VanDerWaalsContact O-CB 3.31Å; K289-N293 WeakPolarHBondContact O-CB 3.47Å; K289-N293 PolarHBondContact O-N 2.92Å; E290-N293 PolarHBondContact O-N 3.22Å; N293-Y295 VanDerWaalsContact C-N 3.3Å; N293-Y295 PolarHBondContact O-N 2.66Å; N293-A296 VanDerWaalsContact O-CB 3.32Å; N293-A296 WeakPolarHBondContact O-CB 3.33Å; N293-A296 PolarHBondContact O-N 2.86Å; N293-A296 VanDerWaalsContact O-N 3.11Å; N293-I297 PolarHBondContact O-N 2.84Å |
| 294 | E | 97.1 | Very high | 97.1 | Very high | 33 Ų | 33 | 82.3 Ų | 82.3 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.8 | -30.7 | -180 | -70.9 | -79.5 | -140 | 0 | 0 | 112.8 | E290 A296 I297 N298 K305 I309 F324 | E290-E294 PolarHBondContact O-N 3.46Å; E290-E294 VanDerWaalsContact O-N 3.1Å; E294-A296 VanDerWaalsContact C-N 3.34Å; E294-I297 PolarHBondContact O-N 3.33Å; E294-N298 PolarHBondContact O-N 3.05Å; E294-K305 WeakPolarHBondContact OE1-CE 3.45Å; E294-K305 IonicContact OE1-NZ 2.66Å; E294-K305 PolarHBondContact OE1-NZ 3.14Å; E294-K305 WeakPolarHBondContact OE2-CE 3.34Å; E294-K305 IonicContact OE2-NZ 2.63Å; E294-K305 PolarHBondContact OE2-NZ 3.33Å; E294-I309 HydrophobicContact CB-CD1 3.5Å; E294-I309 VanDerWaalsContact CB-CD1 3.5Å; E294-I309 HydrophobicContact CG-CD1 3.56Å; E294-I309 HydrophobicContact CG-CG1 4.04Å; E294-F324 HydrophobicContact CB-CZ 4.39Å |
| 295 | Y | 97.3 | Very high | 97 | Very high | 12 Ų | 12 | 81.3 Ų | 81.3 | 5% | 0.047 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -73.5 | -22.9 | 172.6 | -177.6 | -96.1 | 0 | 0 | 0 | 113.6 | L291 E292 N293 N298 K299 W323 F324 R327 R328 D331 | L291-Y295 WeakPolarHBondContact O-CB 3.25Å; L291-Y295 PolarHBondContact O-N 3.01Å; L291-Y295 VanDerWaalsContact O-N 3.09Å; E292-Y295 PolarHBondContact O-N 3.31Å; N293-Y295 VanDerWaalsContact C-N 3.3Å; N293-Y295 PolarHBondContact O-N 2.66Å; Y295-N298 WeakPolarHBondContact CA-O 3.45Å; Y295-K299 HydrophobicContact CD1-CD 4.31Å; Y295-K299 HydrophobicContact CD2-CD 4.39Å; Y295-K299 HydrophobicContact CE1-CD 3.74Å; Y295-K299 HydrophobicContact CE2-CB 4.07Å; Y295-K299 HydrophobicContact CE2-CD 3.84Å; Y295-K299 VanDerWaalsContact CZ-CD 3.49Å; Y295-K299 WeakPolarHBondContact O-CD 3.29Å; Y295-K299 WeakPolarHBondContact O-CE 3.49Å; Y295-K299 PolarHBondContact O-NZ 2.98Å; Y295-W323 HydrophobicContact CG-CZ3 4.27Å; Y295-F324 AromaticContact CD2-CD1 3.85Å; Y295-F324 HydrophobicContact CD2-CD1 3.85Å; Y295-F324 AromaticContact CD2-CE1 3.85Å; Y295-F324 HydrophobicContact CD2-CE1 3.85Å; Y295-F324 HydrophobicContact CG-CE1 4.49Å; Y295-R327 HydrophobicContact CD1-CG 3.62Å; Y295-R327 HydrophobicContact CD2-CB 4.42Å; Y295-R327 HydrophobicContact CD2-CG 3.99Å; Y295-R327 HydrophobicContact CE1-CG 3.51Å; Y295-R327 HydrophobicContact CE2-CB 4.24Å; Y295-R327 HydrophobicContact CE2-CG 3.9Å; Y295-R327 HydrophobicContact CG-CG 3.85Å; Y295-R328 HydrophobicContact CE2-CG 3.77Å; Y295-D331 WeakPolarHBondContact CE1-OD2 3.48Å; Y295-D331 VanDerWaalsContact CZ-OD2 3.24Å; Y295-D331 PolarHBondContact OH-OD2 3.23Å |
| 296 | A | 96.8 | Very high | 97 | Very high | 71 Ų | 71 | 75.6 Ų | 75.6 | 59% | 0.587 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.4 | -44.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | E292 N293 E294 | E292-A296 PolarHBondContact O-N 3.47Å; N293-A296 VanDerWaalsContact O-CB 3.32Å; N293-A296 WeakPolarHBondContact O-CB 3.33Å; N293-A296 PolarHBondContact O-N 2.86Å; N293-A296 VanDerWaalsContact O-N 3.11Å; E294-A296 VanDerWaalsContact C-N 3.34Å |
| 297 | I | 96.4 | Very high | 97.1 | Very high | 116 Ų | 116 | 75.3 Ų | 75.3 | 60% | 0.595 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.2 | -47.6 | 179.6 | -60.3 | 165.5 | 0 | 0 | 0 | 111.9 | N293 E294 | N293-I297 PolarHBondContact O-N 2.84Å; E294-I297 PolarHBondContact O-N 3.33Å |
| 298 | N | 94.9 | Very high | 97.1 | Very high | 76 Ų | 76 | 81.2 Ų | 81.2 | 41% | 0.406 | 39% | 0.385 | S | S | . | . | | | trans | -143.8 | 126.8 | 177.3 | -167.4 | -16.5 | 0 | 0 | 0 | 112 | E294 Y295 F300 | E294-N298 PolarHBondContact O-N 3.05Å; Y295-N298 WeakPolarHBondContact CA-O 3.45Å; N298-F300 WeakPolarHBondContact CB-O 3.39Å; N298-F300 PolarHBondContact ND2-O 3.02Å; N298-F300 PolarHBondContact O-N 2.63Å; N298-F300 PolarHBondContact OD1-N 2.95Å; N298-F300 PolarHBondContact OD1-O 2.81Å; N298-F300 VanDerWaalsContact OD1-O 3.05Å |
| 299 | K | 96 | Very high | 97.1 | Very high | 88 Ų | 88 | 78.6 Ų | 78.6 | 38% | 0.383 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -68.8 | -18.3 | 178.9 | -51.7 | -60.5 | 164.1 | -157.6 | 0 | 113.1 | Y295 R328 | Y295-K299 HydrophobicContact CD1-CD 4.31Å; Y295-K299 HydrophobicContact CD2-CD 4.39Å; Y295-K299 HydrophobicContact CE1-CD 3.74Å; Y295-K299 HydrophobicContact CE2-CB 4.07Å; Y295-K299 HydrophobicContact CE2-CD 3.84Å; Y295-K299 VanDerWaalsContact CZ-CD 3.49Å; Y295-K299 WeakPolarHBondContact O-CD 3.29Å; Y295-K299 WeakPolarHBondContact O-CE 3.49Å; Y295-K299 PolarHBondContact O-NZ 2.98Å; K299-R328 WeakPolarHBondContact O-CD 3.49Å |
| 300 | F | 96.5 | Very high | 97.1 | Very high | 123 Ų | 123 | 73.1 Ų | 73.1 | 54% | 0.539 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -121.3 | 156.2 | 176.9 | -63.4 | -98 | 0 | 0 | 0 | 110 | N298 | N298-F300 WeakPolarHBondContact CB-O 3.39Å; N298-F300 PolarHBondContact ND2-O 3.02Å; N298-F300 PolarHBondContact O-N 2.63Å; N298-F300 PolarHBondContact OD1-N 2.95Å; N298-F300 PolarHBondContact OD1-O 2.81Å; N298-F300 VanDerWaalsContact OD1-O 3.05Å |
| 301 | I | 96.6 | Very high | 97.1 | Very high | 23 Ų | 23 | 73.4 Ų | 73.4 | 12% | 0.118 | 36% | 0.364 | C | S | . | . | | | trans | -130.7 | 120.1 | -174.2 | -165.3 | 167.7 | 0 | 0 | 0 | 113.6 | K305 R306 I309 V320 F324 | I301-K305 HydrophobicContact CD1-CB 4.22Å; I301-K305 HydrophobicContact CD1-CG 3.99Å; I301-K305 HydrophobicContact CG1-CB 3.73Å; I301-K305 HydrophobicContact CG1-CG 3.8Å; I301-R306 HydrophobicContact CD1-CB 4.23Å; I301-R306 HydrophobicContact CG1-CB 4.24Å; I301-I309 HydrophobicContact CD1-CD1 3.34Å; I301-I309 HydrophobicContact CD1-CG1 4.18Å; I301-V320 HydrophobicContact CD1-CG1 4.26Å; I301-F324 HydrophobicContact CB-CD1 4.11Å; I301-F324 HydrophobicContact CB-CE1 3.98Å; I301-F324 HydrophobicContact CB-CZ 4.27Å; I301-F324 HydrophobicContact CD1-CE1 4.45Å; I301-F324 HydrophobicContact CD1-CE2 3.97Å; I301-F324 HydrophobicContact CD1-CZ 3.89Å; I301-F324 HydrophobicContact CG2-CB 4.44Å; I301-F324 HydrophobicContact CG2-CD1 4.04Å; I301-F324 HydrophobicContact CG2-CD2 4.23Å; I301-F324 HydrophobicContact CG2-CE1 4.35Å; I301-F324 HydrophobicContact CG2-CG 3.98Å |
| 302 | N | 97.3 | Very high | 97 | Very high | 113 Ų | 113 | 76.9 Ų | 76.9 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | | | trans | -72.9 | 161.6 | 177.2 | -63.9 | 10.4 | 0 | 0 | 0 | 111.2 | D304 K305 R306 | N302-D304 PolarHBondContact O-N 2.97Å; N302-K305 PolarHBondContact O-N 3.28Å; N302-R306 WeakPolarHBondContact O-CB 3.39Å; N302-R306 PolarHBondContact O-N 3.48Å |
| 303 | K | 97.2 | Very high | 97 | Very high | 146 Ų | 146 | 73.3 Ų | 73.3 | 64% | 0.635 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -52.9 | -49.4 | -175.8 | -168.7 | -179.3 | 179.4 | -177 | 0 | 112.8 | K305 R306 R307 | K303-K305 PolarHBondContact O-N 3.09Å; K303-R306 WeakPolarHBondContact O-CB 3.36Å; K303-R306 PolarHBondContact O-N 2.66Å; K303-R307 PolarHBondContact O-N 3.05Å |
| 304 | D | 97.1 | Very high | 96.9 | Very high | 79 Ų | 79 | 76.1 Ų | 76.1 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.2 | -30.7 | -176.2 | -50 | -74.1 | 0 | 0 | 0 | 113.6 | N302 R307 R308 | N302-D304 PolarHBondContact O-N 2.97Å; D304-R307 IonicContact OD1-CZ 3.18Å; D304-R307 IonicContact OD1-NH1 2.71Å; D304-R307 PolarHBondContact OD1-NH1 3.37Å; D304-R307 IonicContact OD1-NH2 2.76Å; D304-R307 PolarHBondContact OD1-NH2 3.49Å; D304-R308 WeakPolarHBondContact O-CG 3.46Å; D304-R308 PolarHBondContact O-N 3.32Å; D304-R308 PolarHBondContact O-NE 3.19Å |
| 305 | K | 96.6 | Very high | 96.9 | Very high | 56 Ų | 56 | 75 Ų | 75 | 24% | 0.243 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.3 | -40.5 | 174.6 | -165.5 | 71.8 | 156.1 | 158.8 | 0 | 109.8 | E294 I301 N302 K303 R308 I309 | E294-K305 WeakPolarHBondContact OE1-CE 3.45Å; E294-K305 IonicContact OE1-NZ 2.66Å; E294-K305 PolarHBondContact OE1-NZ 3.14Å; E294-K305 WeakPolarHBondContact OE2-CE 3.34Å; E294-K305 IonicContact OE2-NZ 2.63Å; E294-K305 PolarHBondContact OE2-NZ 3.33Å; I301-K305 HydrophobicContact CD1-CB 4.22Å; I301-K305 HydrophobicContact CD1-CG 3.99Å; I301-K305 HydrophobicContact CG1-CB 3.73Å; I301-K305 HydrophobicContact CG1-CG 3.8Å; N302-K305 PolarHBondContact O-N 3.28Å; K303-K305 PolarHBondContact O-N 3.09Å; K305-R308 PolarHBondContact O-N 3.01Å; K305-I309 WeakPolarHBondContact O-CG1 3.18Å; K305-I309 PolarHBondContact O-N 3.28Å |
| 306 | R | 97.9 | Very high | 96.9 | Very high | 70 Ų | 70 | 77 Ų | 77 | 26% | 0.264 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 173.6 | -171.7 | -166 | -59.1 | 174.8 | -0.9 | 112.4 | I301 N302 K303 R308 I309 S310 E317 V320 T321 | I301-R306 HydrophobicContact CD1-CB 4.23Å; I301-R306 HydrophobicContact CG1-CB 4.24Å; N302-R306 WeakPolarHBondContact O-CB 3.39Å; N302-R306 PolarHBondContact O-N 3.48Å; K303-R306 WeakPolarHBondContact O-CB 3.36Å; K303-R306 PolarHBondContact O-N 2.66Å; R306-R308 PolarHBondContact O-N 3.2Å; R306-I309 PolarHBondContact O-N 3.4Å; R306-S310 VanDerWaalsContact O-CB 3.27Å; R306-S310 WeakPolarHBondContact O-CB 3.35Å; R306-S310 PolarHBondContact O-N 3.49Å; R306-E317 WeakPolarHBondContact CD-OE2 3.43Å; R306-E317 HydrophobicContact CG-CB 4.14Å; R306-E317 HydrophobicContact CG-CG 4.17Å; R306-V320 HydrophobicContact CG-CB 4.3Å; R306-V320 HydrophobicContact CG-CG1 4.13Å; R306-T321 WeakPolarHBondContact CD-OG1 2.96Å; R306-T321 VanDerWaalsContact CZ-OG1 3.27Å; R306-T321 PolarHBondContact NE-OG1 2.84Å; R306-T321 VanDerWaalsContact NE-OG1 3.16Å |
| 307 | R | 98.1 | Very high | 97 | Very high | 112 Ų | 112 | 77 Ų | 77 | 42% | 0.423 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 174.5 | -67.2 | -156.7 | -50.6 | -72.8 | -0.7 | 111.9 | K303 D304 S310 A311 | K303-R307 PolarHBondContact O-N 3.05Å; D304-R307 IonicContact OD1-CZ 3.18Å; D304-R307 IonicContact OD1-NH1 2.71Å; D304-R307 PolarHBondContact OD1-NH1 3.37Å; D304-R307 IonicContact OD1-NH2 2.76Å; D304-R307 PolarHBondContact OD1-NH2 3.49Å; R307-S310 WeakPolarHBondContact O-CB 3.17Å; R307-S310 PolarHBondContact O-N 3.48Å; R307-A311 PolarHBondContact O-N 3.13Å |
| 308 | R | 97.7 | Very high | 97 | Very high | 156 Ų | 156 | 80.8 Ų | 80.8 | 59% | 0.589 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.7 | -47.4 | 177.6 | -78.5 | -179.4 | -81.7 | 167.6 | -14.6 | 112.9 | D304 K305 R306 S310 A311 A312 | D304-R308 WeakPolarHBondContact O-CG 3.46Å; D304-R308 PolarHBondContact O-N 3.32Å; D304-R308 PolarHBondContact O-NE 3.19Å; K305-R308 PolarHBondContact O-N 3.01Å; R306-R308 PolarHBondContact O-N 3.2Å; R308-S310 VanDerWaalsContact C-N 3.34Å; R308-S310 PolarHBondContact O-N 3.27Å; R308-A311 PolarHBondContact O-N 3.34Å; R308-A312 WeakPolarHBondContact O-CB 3.42Å; R308-A312 PolarHBondContact O-N 3.39Å |
| 309 | I | 96.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 80.6 Ų | 80.6 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 176.1 | -62.8 | -176.5 | 0 | 0 | 0 | 111.2 | L291 E294 I301 K305 R306 A311 A312 T313 V320 F324 | L291-I309 HydrophobicContact CD2-CG2 3.72Å; L291-I309 HydrophobicContact CG-CG2 4.5Å; E294-I309 HydrophobicContact CB-CD1 3.5Å; E294-I309 VanDerWaalsContact CB-CD1 3.5Å; E294-I309 HydrophobicContact CG-CD1 3.56Å; E294-I309 HydrophobicContact CG-CG1 4.04Å; I301-I309 HydrophobicContact CD1-CD1 3.34Å; I301-I309 HydrophobicContact CD1-CG1 4.18Å; K305-I309 WeakPolarHBondContact O-CG1 3.18Å; K305-I309 PolarHBondContact O-N 3.28Å; R306-I309 PolarHBondContact O-N 3.4Å; I309-A311 VanDerWaalsContact C-N 3.34Å; I309-A311 PolarHBondContact O-N 3.35Å; I309-A312 PolarHBondContact O-N 2.8Å; I309-T313 HydrophobicContact CG2-CG2 3.94Å; I309-T313 WeakPolarHBondContact O-CB 3.2Å; I309-T313 PolarHBondContact O-N 3.21Å; I309-T313 PolarHBondContact O-OG1 3.34Å; I309-V320 HydrophobicContact CB-CG1 4.36Å; I309-V320 HydrophobicContact CG2-CG1 4.06Å; I309-V320 HydrophobicContact CG2-CG2 4.05Å; I309-F324 HydrophobicContact CD1-CE2 4.19Å; I309-F324 HydrophobicContact CD1-CZ 4.22Å |
| 310 | S | 97.9 | Very high | 97.2 | Very high | 24 Ų | 24 | 76.4 Ų | 76.4 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.7 | -47.4 | 177.4 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | R306 R307 R308 N314 L315 E317 | R306-S310 VanDerWaalsContact O-CB 3.27Å; R306-S310 WeakPolarHBondContact O-CB 3.35Å; R306-S310 PolarHBondContact O-N 3.49Å; R307-S310 WeakPolarHBondContact O-CB 3.17Å; R307-S310 PolarHBondContact O-N 3.48Å; R308-S310 VanDerWaalsContact C-N 3.34Å; R308-S310 PolarHBondContact O-N 3.27Å; S310-N314 WeakPolarHBondContact O-CA 3.47Å; S310-N314 PolarHBondContact O-N 3.06Å; S310-L315 VanDerWaalsContact CA-O 3.25Å; S310-L315 WeakPolarHBondContact CA-O 3.31Å; S310-L315 VanDerWaalsContact CB-O 3.29Å; S310-L315 WeakPolarHBondContact CB-O 3.38Å; S310-L315 PolarHBondContact O-N 3.18Å; S310-L315 PolarHBondContact OG-O 3.16Å; S310-E317 PolarHBondContact OG-N 3.34Å |
| 311 | A | 97.3 | Very high | 97.3 | Very high | 72 Ų | 72 | 72 Ų | 72 | 60% | 0.595 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.5 | -47.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R307 R308 I309 T313 | R307-A311 PolarHBondContact O-N 3.13Å; R308-A311 PolarHBondContact O-N 3.34Å; I309-A311 VanDerWaalsContact C-N 3.34Å; I309-A311 PolarHBondContact O-N 3.35Å; A311-T313 PolarHBondContact O-N 3.33Å |
| 312 | A | 96.6 | Very high | 97.4 | Very high | 72 Ų | 72 | 73.9 Ų | 73.9 | 60% | 0.595 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.7 | -33.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R308 I309 | R308-A312 WeakPolarHBondContact O-CB 3.42Å; R308-A312 PolarHBondContact O-N 3.39Å; I309-A312 PolarHBondContact O-N 2.8Å |
| 313 | T | 96.2 | Very high | 97.4 | Very high | 6 Ų | 6 | 69.6 Ų | 69.6 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -99.3 | -6 | -175.6 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | Q287 E290 I309 A311 L315 | Q287-T313 WeakPolarHBondContact CG-O 3.43Å; Q287-T313 PolarHBondContact NE2-O 2.93Å; E290-T313 HydrophobicContact CB-CG2 3.74Å; E290-T313 HydrophobicContact CG-CG2 4.29Å; I309-T313 HydrophobicContact CG2-CG2 3.94Å; I309-T313 WeakPolarHBondContact O-CB 3.2Å; I309-T313 PolarHBondContact O-N 3.21Å; I309-T313 PolarHBondContact O-OG1 3.34Å; A311-T313 PolarHBondContact O-N 3.33Å; T313-L315 PolarHBondContact O-N 3.45Å |
| 314 | N | 97.4 | Very high | 97.4 | Very high | 145 Ų | 145 | 63 Ų | 63 | 78% | 0.775 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 34.9 | -171.1 | -63.8 | -75.7 | 0 | 0 | 0 | 113.2 | S310 | S310-N314 WeakPolarHBondContact O-CA 3.47Å; S310-N314 PolarHBondContact O-N 3.06Å |
| 315 | L | 96.5 | Very high | 97.5 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | | | trans | -108.7 | 145.5 | 174.5 | -65.1 | -179.9 | 0 | 0 | 0 | 109.6 | Y283 Q287 L291 S310 T313 Q319 V320 | Y283-L315 HydrophobicContact CD1-CD1 3.94Å; Y283-L315 HydrophobicContact CD1-CD2 3.78Å; Y283-L315 HydrophobicContact CE1-CD1 3.94Å; Y283-L315 HydrophobicContact CE1-CD2 3.7Å; Y283-L315 HydrophobicContact CE1-CG 4.49Å; Q287-L315 HydrophobicContact CB-CD1 4.39Å; Q287-L315 HydrophobicContact CG-CD1 4.48Å; L291-L315 HydrophobicContact CD1-CD1 3.91Å; S310-L315 VanDerWaalsContact CA-O 3.25Å; S310-L315 WeakPolarHBondContact CA-O 3.31Å; S310-L315 VanDerWaalsContact CB-O 3.29Å; S310-L315 WeakPolarHBondContact CB-O 3.38Å; S310-L315 PolarHBondContact O-N 3.18Å; S310-L315 PolarHBondContact OG-O 3.16Å; T313-L315 PolarHBondContact O-N 3.45Å; L315-Q319 HydrophobicContact CB-CB 4.31Å; L315-V320 HydrophobicContact CB-CG2 4.18Å |
| 316 | S | 97.9 | Very high | 97.6 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 38% | 0.378 | 33% | 0.329 | S | S | . | . | | | trans | -62.8 | 148 | 173.3 | 63.8 | 0 | 0 | 0 | 0 | 111.7 | R318 Q319 V320 | S316-R318 PolarHBondContact O-N 3.28Å; S316-Q319 WeakPolarHBondContact O-CA 3.32Å; S316-Q319 WeakPolarHBondContact O-CB 3.31Å; S316-Q319 PolarHBondContact O-N 3.11Å; S316-Q319 WeakPolarHBondContact OG-CG 3.43Å; S316-Q319 PolarHBondContact OG-N 3.38Å; S316-Q319 PolarHBondContact OG-OE1 2.89Å; S316-V320 PolarHBondContact O-N 2.83Å |
| 317 | E | 97.8 | Very high | 97.6 | Very high | 71 Ų | 71 | 64.9 Ų | 64.9 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -50.1 | -34.3 | 173.2 | -74.3 | -166.1 | -130.2 | 0 | 0 | 113 | R306 S310 T321 | R306-E317 WeakPolarHBondContact CD-OE2 3.43Å; R306-E317 HydrophobicContact CG-CB 4.14Å; R306-E317 HydrophobicContact CG-CG 4.17Å; S310-E317 PolarHBondContact OG-N 3.34Å; E317-T321 WeakPolarHBondContact O-CB 3.49Å; E317-T321 PolarHBondContact O-N 3.35Å; E317-T321 PolarHBondContact O-OG1 3.38Å |
| 318 | R | 97.4 | Very high | 97.5 | Very high | 195 Ų | 195 | 63.3 Ų | 63.3 | 74% | 0.736 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66 | -44.4 | 174.7 | -173.7 | 179.7 | 179.8 | -172.8 | 2.6 | 112 | S316 T321 I322 | S316-R318 PolarHBondContact O-N 3.28Å; R318-T321 PolarHBondContact O-N 2.86Å; R318-I322 HydrophobicContact CG-CD1 3.89Å; R318-I322 WeakPolarHBondContact O-CB 3.46Å; R318-I322 VanDerWaalsContact O-CG1 3.29Å; R318-I322 WeakPolarHBondContact O-CG1 3.23Å; R318-I322 PolarHBondContact O-N 3.1Å |
| 319 | Q | 97.6 | Very high | 97.5 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 34% | 0.336 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 175.5 | -77.3 | 162.8 | -64.1 | 0 | 0 | 111.7 | L315 S316 T321 I322 W323 | L315-Q319 HydrophobicContact CB-CB 4.31Å; S316-Q319 WeakPolarHBondContact O-CA 3.32Å; S316-Q319 WeakPolarHBondContact O-CB 3.31Å; S316-Q319 PolarHBondContact O-N 3.11Å; S316-Q319 WeakPolarHBondContact OG-CG 3.43Å; S316-Q319 PolarHBondContact OG-N 3.38Å; S316-Q319 PolarHBondContact OG-OE1 2.89Å; Q319-T321 VanDerWaalsContact C-N 3.33Å; Q319-T321 PolarHBondContact O-N 2.99Å; Q319-I322 PolarHBondContact O-N 2.91Å; Q319-W323 WeakPolarHBondContact O-CB 3.46Å; Q319-W323 PolarHBondContact O-N 2.8Å |
| 320 | V | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58 | -47.1 | 173.9 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | L291 I301 R306 I309 L315 S316 I322 W323 F324 | L291-V320 HydrophobicContact CD2-CG1 4.14Å; L291-V320 HydrophobicContact CD2-CG2 4.48Å; I301-V320 HydrophobicContact CD1-CG1 4.26Å; R306-V320 HydrophobicContact CG-CB 4.3Å; R306-V320 HydrophobicContact CG-CG1 4.13Å; I309-V320 HydrophobicContact CB-CG1 4.36Å; I309-V320 HydrophobicContact CG2-CG1 4.06Å; I309-V320 HydrophobicContact CG2-CG2 4.05Å; L315-V320 HydrophobicContact CB-CG2 4.18Å; S316-V320 PolarHBondContact O-N 2.83Å; V320-I322 PolarHBondContact O-N 3.35Å; V320-W323 PolarHBondContact O-N 2.9Å; V320-F324 HydrophobicContact CG1-CD2 4.02Å; V320-F324 HydrophobicContact CG1-CE2 4.08Å; V320-F324 WeakPolarHBondContact O-CD2 3.5Å; V320-F324 PolarHBondContact O-N 3.35Å |
| 321 | T | 97.8 | Very high | 97.4 | Very high | 30 Ų | 30 | 66.5 Ų | 66.5 | 18% | 0.184 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 178.4 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | R306 E317 R318 Q319 W323 F324 Q325 | R306-T321 WeakPolarHBondContact CD-OG1 2.96Å; R306-T321 VanDerWaalsContact CZ-OG1 3.27Å; R306-T321 PolarHBondContact NE-OG1 2.84Å; R306-T321 VanDerWaalsContact NE-OG1 3.16Å; E317-T321 WeakPolarHBondContact O-CB 3.49Å; E317-T321 PolarHBondContact O-N 3.35Å; E317-T321 PolarHBondContact O-OG1 3.38Å; R318-T321 PolarHBondContact O-N 2.86Å; Q319-T321 VanDerWaalsContact C-N 3.33Å; Q319-T321 PolarHBondContact O-N 2.99Å; T321-W323 VanDerWaalsContact C-N 3.34Å; T321-F324 PolarHBondContact O-N 3.03Å; T321-Q325 WeakPolarHBondContact O-CG 3.33Å; T321-Q325 PolarHBondContact O-N 2.6Å |
| 322 | I | 97.8 | Very high | 97.4 | Very high | 63 Ų | 63 | 70.7 Ų | 70.7 | 32% | 0.323 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 176.9 | -70 | 167.2 | 0 | 0 | 0 | 110.9 | R318 Q319 V320 Q325 N326 | R318-I322 HydrophobicContact CG-CD1 3.89Å; R318-I322 WeakPolarHBondContact O-CB 3.46Å; R318-I322 VanDerWaalsContact O-CG1 3.29Å; R318-I322 WeakPolarHBondContact O-CG1 3.23Å; R318-I322 PolarHBondContact O-N 3.1Å; Q319-I322 PolarHBondContact O-N 2.91Å; V320-I322 PolarHBondContact O-N 3.35Å; I322-Q325 PolarHBondContact O-N 2.88Å; I322-N326 WeakPolarHBondContact O-CB 3.49Å; I322-N326 VanDerWaalsContact O-CG 3.25Å; I322-N326 PolarHBondContact O-N 3.23Å; I322-N326 PolarHBondContact O-ND2 3.37Å |
| 323 | W | 97.9 | Very high | 97.3 | Very high | 23 Ų | 23 | 73.9 Ų | 73.9 | 9% | 0.087 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 176.7 | -171.4 | 103.2 | 0 | 0 | 0 | 111.3 | Y283 L291 E292 Y295 Q319 V320 T321 Q325 N326 R327 | Y283-W323 AromaticContact CD2-CD1 3.89Å; Y283-W323 AromaticContact CE2-CD1 3.73Å; L291-W323 HydrophobicContact CB-CD2 3.92Å; L291-W323 HydrophobicContact CB-CE3 3.91Å; L291-W323 HydrophobicContact CB-CH2 3.72Å; L291-W323 HydrophobicContact CB-CZ2 3.7Å; L291-W323 HydrophobicContact CB-CZ3 3.82Å; L291-W323 HydrophobicContact CD1-CD2 3.93Å; L291-W323 HydrophobicContact CD1-CG 3.85Å; L291-W323 HydrophobicContact CD2-CD2 4.26Å; L291-W323 HydrophobicContact CD2-CE3 4.16Å; L291-W323 HydrophobicContact CD2-CG 4.49Å; L291-W323 HydrophobicContact CG-CD2 4.27Å; L291-W323 HydrophobicContact CG-CE3 4.46Å; L291-W323 WeakPolarHBondContact O-CH2 3.43Å; L291-W323 WeakPolarHBondContact O-CZ3 3.34Å; E292-W323 HydrophobicContact CG-CH2 3.7Å; E292-W323 HydrophobicContact CG-CZ2 3.71Å; Y295-W323 HydrophobicContact CG-CZ3 4.27Å; Q319-W323 WeakPolarHBondContact O-CB 3.46Å; Q319-W323 PolarHBondContact O-N 2.8Å; V320-W323 PolarHBondContact O-N 2.9Å; T321-W323 VanDerWaalsContact C-N 3.34Å; W323-Q325 VanDerWaalsContact C-N 3.3Å; W323-Q325 PolarHBondContact O-N 3.14Å; W323-N326 PolarHBondContact O-N 3.36Å; W323-R327 HydrophobicContact CE3-CB 4.02Å; W323-R327 HydrophobicContact CH2-CB 4.07Å; W323-R327 HydrophobicContact CH2-CG 3.73Å; W323-R327 HydrophobicContact CZ2-CG 4.42Å; W323-R327 HydrophobicContact CZ3-CB 3.76Å; W323-R327 HydrophobicContact CZ3-CG 3.81Å; W323-R327 WeakPolarHBondContact O-CB 3.39Å; W323-R327 PolarHBondContact O-N 3.07Å |
| 324 | F | 98.3 | Very high | 97.2 | Very high | 6 Ų | 6 | 77 Ų | 77 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.5 | -29.6 | 176.3 | -90.2 | -104.2 | 0 | 0 | 0 | 113.3 | L291 E294 Y295 I301 I309 V320 T321 R328 | L291-F324 HydrophobicContact CD2-CD2 4.47Å; L291-F324 HydrophobicContact CD2-CE2 4.02Å; E294-F324 HydrophobicContact CB-CZ 4.39Å; Y295-F324 AromaticContact CD2-CD1 3.85Å; Y295-F324 HydrophobicContact CD2-CD1 3.85Å; Y295-F324 AromaticContact CD2-CE1 3.85Å; Y295-F324 HydrophobicContact CD2-CE1 3.85Å; Y295-F324 HydrophobicContact CG-CE1 4.49Å; I301-F324 HydrophobicContact CB-CD1 4.11Å; I301-F324 HydrophobicContact CB-CE1 3.98Å; I301-F324 HydrophobicContact CB-CZ 4.27Å; I301-F324 HydrophobicContact CD1-CE1 4.45Å; I301-F324 HydrophobicContact CD1-CE2 3.97Å; I301-F324 HydrophobicContact CD1-CZ 3.89Å; I301-F324 HydrophobicContact CG2-CB 4.44Å; I301-F324 HydrophobicContact CG2-CD1 4.04Å; I301-F324 HydrophobicContact CG2-CD2 4.23Å; I301-F324 HydrophobicContact CG2-CE1 4.35Å; I301-F324 HydrophobicContact CG2-CG 3.98Å; I309-F324 HydrophobicContact CD1-CE2 4.19Å; I309-F324 HydrophobicContact CD1-CZ 4.22Å; V320-F324 HydrophobicContact CG1-CD2 4.02Å; V320-F324 HydrophobicContact CG1-CE2 4.08Å; V320-F324 WeakPolarHBondContact O-CD2 3.5Å; V320-F324 PolarHBondContact O-N 3.35Å; T321-F324 PolarHBondContact O-N 3.03Å; F324-R328 WeakPolarHBondContact O-CG 3.44Å; F324-R328 PolarHBondContact O-N 3.47Å; F324-R328 PolarHBondContact O-NE 3.24Å |
| 325 | Q | 98.1 | Very high | 96.8 | Very high | 93 Ų | 93 | 74.9 Ų | 74.9 | 44% | 0.435 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.5 | -52.8 | 169.9 | -71.6 | 169.5 | 2 | 0 | 0 | 111 | T321 I322 W323 R327 R328 V329 | T321-Q325 WeakPolarHBondContact O-CG 3.33Å; T321-Q325 PolarHBondContact O-N 2.6Å; I322-Q325 PolarHBondContact O-N 2.88Å; W323-Q325 VanDerWaalsContact C-N 3.3Å; W323-Q325 PolarHBondContact O-N 3.14Å; Q325-R327 VanDerWaalsContact C-N 3.3Å; Q325-R327 PolarHBondContact O-N 2.93Å; Q325-R328 PolarHBondContact O-N 3.09Å; Q325-V329 WeakPolarHBondContact O-CG2 3.39Å; Q325-V329 PolarHBondContact O-N 3.43Å |
| 326 | N | 97.8 | Very high | 96.5 | Very high | 103 Ų | 103 | 77.5 Ų | 77.5 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.7 | -37.4 | 179.4 | -69.3 | -22.1 | 0 | 0 | 0 | 112.4 | I322 W323 V329 K330 | I322-N326 WeakPolarHBondContact O-CB 3.49Å; I322-N326 VanDerWaalsContact O-CG 3.25Å; I322-N326 PolarHBondContact O-N 3.23Å; I322-N326 PolarHBondContact O-ND2 3.37Å; W323-N326 PolarHBondContact O-N 3.36Å; N326-V329 PolarHBondContact O-N 3.22Å; N326-K330 WeakPolarHBondContact O-CB 3.47Å; N326-K330 PolarHBondContact O-N 2.99Å |
| 327 | R | 97.9 | Very high | 96 | Very high | 49 Ų | 49 | 80.9 Ų | 80.9 | 19% | 0.185 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.4 | -47.1 | 178.9 | -169.9 | 57 | 161 | 120.4 | -14.2 | 111.6 | E292 Y295 W323 Q325 V329 K330 D331 | E292-R327 IonicContact OE1-CZ 2.72Å; E292-R327 IonicContact OE1-NE 3.56Å; E292-R327 IonicContact OE1-NH2 3.83Å; E292-R327 PolarHBondContact OE1-NH2 3.49Å; Y295-R327 HydrophobicContact CD1-CG 3.62Å; Y295-R327 HydrophobicContact CD2-CB 4.42Å; Y295-R327 HydrophobicContact CD2-CG 3.99Å; Y295-R327 HydrophobicContact CE1-CG 3.51Å; Y295-R327 HydrophobicContact CE2-CB 4.24Å; Y295-R327 HydrophobicContact CE2-CG 3.9Å; Y295-R327 HydrophobicContact CG-CG 3.85Å; W323-R327 HydrophobicContact CE3-CB 4.02Å; W323-R327 HydrophobicContact CH2-CB 4.07Å; W323-R327 HydrophobicContact CH2-CG 3.73Å; W323-R327 HydrophobicContact CZ2-CG 4.42Å; W323-R327 HydrophobicContact CZ3-CB 3.76Å; W323-R327 HydrophobicContact CZ3-CG 3.81Å; W323-R327 WeakPolarHBondContact O-CB 3.39Å; W323-R327 PolarHBondContact O-N 3.07Å; Q325-R327 VanDerWaalsContact C-N 3.3Å; Q325-R327 PolarHBondContact O-N 2.93Å; R327-V329 VanDerWaalsContact C-N 3.32Å; R327-V329 PolarHBondContact O-N 2.95Å; R327-K330 WeakPolarHBondContact O-CB 3.5Å; R327-K330 PolarHBondContact O-N 2.64Å; R327-K330 VanDerWaalsContact O-N 3.14Å; R327-D331 IonicContact CZ-OD1 2.84Å; R327-D331 IonicContact NH1-OD1 3.57Å; R327-D331 PolarHBondContact NH1-OD1 3.25Å; R327-D331 PolarHBondContact O-N 2.88Å; R327-D331 VanDerWaalsContact O-OD1 3.13Å |
| 328 | R | 97.5 | Very high | 95.3 | Very high | 80 Ų | 80 | 82.6 Ų | 82.6 | 30% | 0.302 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61 | -37.7 | 175.2 | -71.6 | 179.5 | -69.5 | 142.2 | -2.5 | 113 | Y295 K299 F324 Q325 D331 K332 | Y295-R328 HydrophobicContact CE2-CG 3.77Å; K299-R328 WeakPolarHBondContact O-CD 3.49Å; F324-R328 WeakPolarHBondContact O-CG 3.44Å; F324-R328 PolarHBondContact O-N 3.47Å; F324-R328 PolarHBondContact O-NE 3.24Å; Q325-R328 PolarHBondContact O-N 3.09Å; R328-D331 PolarHBondContact O-N 3Å; R328-K332 WeakPolarHBondContact O-CG 3.07Å; R328-K332 PolarHBondContact O-N 2.95Å |
| 329 | V | 97.9 | Very high | 94.5 | Very high | 98 Ų | 98 | 80.3 Ų | 80.3 | 59% | 0.594 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.2 | -42.3 | 174.5 | 175 | 0 | 0 | 0 | 0 | 111.2 | Q325 N326 R327 K333 | Q325-V329 WeakPolarHBondContact O-CG2 3.39Å; Q325-V329 PolarHBondContact O-N 3.43Å; N326-V329 PolarHBondContact O-N 3.22Å; R327-V329 VanDerWaalsContact C-N 3.32Å; R327-V329 PolarHBondContact O-N 2.95Å; V329-K333 WeakPolarHBondContact O-CB 3.42Å; V329-K333 PolarHBondContact O-N 3.47Å; V329-K333 VanDerWaalsContact O-N 3.09Å |
| 330 | K | 96.6 | Very high | 93.5 | Very high | 117 Ų | 117 | 82.4 Ų | 82.4 | 51% | 0.509 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 174.8 | -174.1 | -175.5 | 175.5 | -171.9 | 0 | 111.1 | N326 R327 K333 I334 | N326-K330 WeakPolarHBondContact O-CB 3.47Å; N326-K330 PolarHBondContact O-N 2.99Å; R327-K330 WeakPolarHBondContact O-CB 3.5Å; R327-K330 PolarHBondContact O-N 2.64Å; R327-K330 VanDerWaalsContact O-N 3.14Å; K330-K333 PolarHBondContact O-N 3.36Å; K330-I334 HydrophobicContact CG-CD1 3.96Å; K330-I334 WeakPolarHBondContact O-CG1 3.33Å; K330-I334 PolarHBondContact O-N 3.4Å |
| 331 | D | 96.1 | Very high | 92.5 | Very high | 37 Ų | 37 | 87.7 Ų | 87.7 | 20% | 0.198 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 178.2 | -77.5 | 25.4 | 0 | 0 | 0 | 112.2 | Y295 R327 R328 K333 I334 V335 | Y295-D331 WeakPolarHBondContact CE1-OD2 3.48Å; Y295-D331 VanDerWaalsContact CZ-OD2 3.24Å; Y295-D331 PolarHBondContact OH-OD2 3.23Å; R327-D331 IonicContact CZ-OD1 2.84Å; R327-D331 IonicContact NH1-OD1 3.57Å; R327-D331 PolarHBondContact NH1-OD1 3.25Å; R327-D331 PolarHBondContact O-N 2.88Å; R327-D331 VanDerWaalsContact O-OD1 3.13Å; R328-D331 PolarHBondContact O-N 3Å; D331-K333 PolarHBondContact O-N 3.3Å; D331-I334 PolarHBondContact O-N 3.35Å; D331-V335 WeakPolarHBondContact O-CG2 3.43Å; D331-V335 PolarHBondContact O-N 3.02Å |
| 332 | K | 96.1 | Very high | 91.1 | Very high | 160 Ų | 160 | 92.2 Ų | 92.2 | 70% | 0.696 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -53.8 | -43.1 | 174.7 | -74.9 | -174.5 | 66.4 | 174 | 0 | 111.3 | R328 I334 V335 S336 | R328-K332 WeakPolarHBondContact O-CG 3.07Å; R328-K332 PolarHBondContact O-N 2.95Å; K332-I334 VanDerWaalsContact C-N 3.34Å; K332-I334 PolarHBondContact O-N 3.01Å; K332-V335 PolarHBondContact O-N 3Å; K332-S336 PolarHBondContact O-N 3.26Å; K332-S336 PolarHBondContact O-OG 3.47Å |
| 333 | K | 95.3 | Very high | 88.9 | Confident | 138 Ų | 138 | 96.4 Ų | 96.4 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.4 | -32 | 177.7 | -173.1 | 169.7 | -176.3 | 170.5 | 0 | 113.2 | V329 K330 D331 K337 | V329-K333 WeakPolarHBondContact O-CB 3.42Å; V329-K333 PolarHBondContact O-N 3.47Å; V329-K333 VanDerWaalsContact O-N 3.09Å; K330-K333 PolarHBondContact O-N 3.36Å; D331-K333 PolarHBondContact O-N 3.3Å; K333-K337 VanDerWaalsContact O-CG 3.26Å; K333-K337 WeakPolarHBondContact O-CG 3.26Å; K333-K337 PolarHBondContact O-N 3.22Å |
| 334 | I | 92.9 | Very high | 88.5 | Confident | 72 Ų | 72 | 100.1 Ų | 100.1 | 37% | 0.369 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.3 | -47.3 | 174.4 | -67.8 | 161.8 | 0 | 0 | 0 | 110 | K330 D331 K332 S336 K337 L338 | K330-I334 HydrophobicContact CG-CD1 3.96Å; K330-I334 WeakPolarHBondContact O-CG1 3.33Å; K330-I334 PolarHBondContact O-N 3.4Å; D331-I334 PolarHBondContact O-N 3.35Å; K332-I334 VanDerWaalsContact C-N 3.34Å; K332-I334 PolarHBondContact O-N 3.01Å; I334-S336 PolarHBondContact O-N 3.3Å; I334-K337 PolarHBondContact O-N 2.91Å; I334-L338 HydrophobicContact CG2-CD1 3.93Å; I334-L338 HydrophobicContact CG2-CG 4.41Å; I334-L338 WeakPolarHBondContact O-CG 3.29Å; I334-L338 PolarHBondContact O-N 3.24Å |
| 335 | V | 90.1 | Very high | 88 | Confident | 100 Ų | 100 | 105.1 Ų | 105.1 | 61% | 0.606 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | -179.8 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | D331 K332 K339 | D331-V335 WeakPolarHBondContact O-CG2 3.43Å; D331-V335 PolarHBondContact O-N 3.02Å; K332-V335 PolarHBondContact O-N 3Å; V335-K339 PolarHBondContact O-N 3.23Å |
| 336 | S | 89.6 | Confident | 87.4 | Confident | 67 Ų | 67 | 105.7 Ų | 105.7 | 47% | 0.469 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.1 | -54.7 | 173.2 | -68.5 | 0 | 0 | 0 | 0 | 111.4 | K332 I334 L338 K339 D340 | K332-S336 PolarHBondContact O-N 3.26Å; K332-S336 PolarHBondContact O-OG 3.47Å; I334-S336 PolarHBondContact O-N 3.3Å; S336-L338 VanDerWaalsContact C-N 3.31Å; S336-L338 PolarHBondContact O-N 3.07Å; S336-K339 WeakPolarHBondContact O-CB 3.47Å; S336-K339 PolarHBondContact O-N 3.21Å; S336-D340 PolarHBondContact O-N 3.3Å; S336-D340 VanDerWaalsContact O-OD2 3.14Å |
| 337 | K | 87 | Confident | 86.8 | Confident | 124 Ų | 124 | 105.9 Ų | 105.9 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -55.3 | -43.5 | -179.4 | -78.1 | 178.1 | 164.6 | -142.1 | 0 | 113.3 | K333 I334 K339 D340 T341 | K333-K337 VanDerWaalsContact O-CG 3.26Å; K333-K337 WeakPolarHBondContact O-CG 3.26Å; K333-K337 PolarHBondContact O-N 3.22Å; I334-K337 PolarHBondContact O-N 2.91Å; K337-K339 VanDerWaalsContact C-N 3.29Å; K337-K339 PolarHBondContact O-N 2.68Å; K337-D340 CarbonylContact O-C 3.6Å; K337-D340 PolarHBondContact O-N 2.72Å; K337-T341 PolarHBondContact O-N 2.7Å; K337-T341 PolarHBondContact O-OG1 3.43Å |
| 338 | L | 84.3 | Confident | 86.1 | Confident | 108 Ų | 108 | 109.4 Ų | 109.4 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.5 | -36.3 | 179.3 | -71.1 | 172.8 | 0 | 0 | 0 | 111.7 | I334 S336 T341 V342 | I334-L338 HydrophobicContact CG2-CD1 3.93Å; I334-L338 HydrophobicContact CG2-CG 4.41Å; I334-L338 WeakPolarHBondContact O-CG 3.29Å; I334-L338 PolarHBondContact O-N 3.24Å; S336-L338 VanDerWaalsContact C-N 3.31Å; S336-L338 PolarHBondContact O-N 3.07Å; L338-T341 PolarHBondContact O-N 3.42Å; L338-V342 VanDerWaalsContact O-CG2 3.29Å; L338-V342 WeakPolarHBondContact O-CG2 3.41Å; L338-V342 PolarHBondContact O-N 3.41Å |
| 339 | K | 80.5 | Confident | 85.4 | Confident | 147 Ų | 147 | 111.4 Ų | 111.4 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.5 | -40.2 | 173.5 | -171.7 | 159.1 | 64.1 | 174.3 | 0 | 112.2 | V335 S336 K337 T341 V342 S343 | V335-K339 PolarHBondContact O-N 3.23Å; S336-K339 WeakPolarHBondContact O-CB 3.47Å; S336-K339 PolarHBondContact O-N 3.21Å; K337-K339 VanDerWaalsContact C-N 3.29Å; K337-K339 PolarHBondContact O-N 2.68Å; K339-T341 PolarHBondContact O-N 3.39Å; K339-V342 PolarHBondContact O-N 2.84Å; K339-S343 PolarHBondContact O-N 3.02Å; K339-S343 PolarHBondContact O-OG 3.5Å |
| 340 | D | 75.6 | Confident | 84.5 | Confident | 115 Ų | 115 | 112.4 Ų | 112.4 | 62% | 0.615 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.3 | -13.4 | 175.7 | -48.8 | -34.5 | 0 | 0 | 0 | 113.3 | S336 K337 | S336-D340 PolarHBondContact O-N 3.3Å; S336-D340 VanDerWaalsContact O-OD2 3.14Å; K337-D340 CarbonylContact O-C 3.6Å; K337-D340 PolarHBondContact O-N 2.72Å |
| 341 | T | 76.8 | Confident | 83.5 | Confident | 111 Ų | 111 | 112 Ų | 112 | 68% | 0.681 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -4.2 | 177.8 | -32.4 | 0 | 0 | 0 | 0 | 112.8 | K337 L338 K339 | K337-T341 PolarHBondContact O-N 2.7Å; K337-T341 PolarHBondContact O-OG1 3.43Å; L338-T341 PolarHBondContact O-N 3.42Å; K339-T341 PolarHBondContact O-N 3.39Å |
| 342 | V | 68.6 | Low | 82.5 | Confident | 126 Ų | 126 | 118.3 Ų | 118.3 | 76% | 0.764 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | -0.3 | -175 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | L338 K339 | L338-V342 VanDerWaalsContact O-CG2 3.29Å; L338-V342 WeakPolarHBondContact O-CG2 3.41Å; L338-V342 PolarHBondContact O-N 3.41Å; K339-V342 PolarHBondContact O-N 2.84Å |
| 343 | S | 53.1 | Low | 81.2 | Confident | 151 Ų | 151 | 114.5 Ų | 114.5 | 100% | 1.056 | 63% | 0.628 | S | S | * | * | | | trans | -106.8 | 0 | 173.8 | -46.4 | 0 | 0 | 0 | 0 | 110.4 | K339 | K339-S343 PolarHBondContact O-N 3.02Å; K339-S343 PolarHBondContact O-OG 3.5Å |