| 1 | Q | 44 | Very low | 41.7 | Very low | 250 Ų | 250 | 149.9 Ų | 149.9 | 100% | 1.168 | 78% | 0.778 | S | S | * | * | | | | 0 | 104.6 | 0 | -167.6 | 157.2 | -9.5 | 0 | 0 | 106 | | |
| 2 | E | 41.6 | Very low | 41.3 | Very low | 169 Ų | 169 | 154.8 Ų | 154.8 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -60.6 | 139.2 | 174.4 | -179 | -174.7 | 145.9 | 0 | 0 | 110 | | |
| 3 | M | 37.6 | Very low | 41.6 | Very low | 189 Ų | 189 | 153.5 Ų | 153.5 | 93% | 0.931 | 79% | 0.785 | S | S | * | * | | | trans | -150.6 | 119.7 | 142 | -77.4 | -51.1 | -138.2 | 0 | 0 | 107.9 | | |
| 4 | A | 48.1 | Very low | 40.9 | Very low | 69 Ų | 69 | 153.6 Ų | 153.6 | 57% | 0.57 | 79% | 0.788 | S | S | * | * | | | trans | -84.2 | -177.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 5 | D | 39 | Very low | 40.6 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | trans | 88.6 | 111.7 | 155.2 | -57.8 | -31.2 | 0 | 0 | 0 | 117.3 | | |
| 6 | S | 48.2 | Very low | 40.1 | Very low | 108 Ų | 108 | 148.9 Ų | 148.9 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | | 90.9 | 137.3 | 50.8 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 7 | E | 41.8 | Very low | 39.5 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | 85.9 | 116.5 | 155.2 | -134.9 | -166.2 | 130.5 | 0 | 0 | 118.8 | | |
| 8 | K | 38.9 | Very low | 39.2 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 73% | 0.726 | 78% | 0.784 | S | S | * | * | | | | 146.1 | 148.3 | 91.3 | -152.4 | -168.3 | -172 | 89.1 | 0 | 113 | | |
| 9 | A | 40 | Very low | 39.3 | Very low | 74 Ų | 74 | 143.8 Ų | 143.8 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | | | trans | 74.6 | 107.1 | 146.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 10 | E | 41.5 | Very low | 38.9 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | | 84.2 | 109.7 | 82.5 | -92.1 | -168.6 | 162.8 | 0 | 0 | 112.6 | | |
| 11 | E | 38.3 | Very low | 38.3 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | 43.1 | 105.6 | 131.2 | -157.7 | 174.6 | 176.8 | 0 | 0 | 118.6 | | |
| 12 | F | 36.3 | Very low | 37.8 | Very low | 208 Ų | 208 | 140.1 Ų | 140.1 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | | | trans | -117.1 | 115.1 | 152.8 | -93.3 | -90 | 0 | 0 | 0 | 108.8 | | |
| 13 | L | 46.1 | Very low | 37.5 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | | | trans | -76.3 | 132.9 | 158.1 | -67.2 | 166.4 | 0 | 0 | 0 | 108.1 | | |
| 14 | D | 30.6 | Very low | 37.2 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | trans | -167.8 | 112.3 | 151.8 | -109.6 | -13.9 | 0 | 0 | 0 | 107.5 | | |
| 15 | A | 36.9 | Very low | 36.5 | Very low | 85 Ų | 85 | 141 Ų | 141 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | | | | 100.1 | 123.7 | 90.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 16 | V | 32.3 | Very low | 36.3 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | | | | -177.1 | 123.2 | 125.5 | 147.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 17 | C | 29.6 | Very low | 35.4 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | trans | -80.7 | 156.9 | 178.8 | -163.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 18 | T | 34.8 | Very low | 34.9 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | | | trans | -50.6 | 173.9 | -175.3 | 52.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 19 | P | 40.6 | Very low | 34.6 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | | -129.6 | 137 | 117.7 | 35.4 | -26.2 | 0 | 0 | 0 | 115 | | |
| 20 | E | 31 | Very low | 34.3 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | 43.5 | 105.2 | 135.6 | -56 | -169.1 | 157.8 | 0 | 0 | 118.4 | | |
| 21 | S | 28.1 | Very low | 33.8 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | | 65.7 | 104.6 | 74 | 81.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 22 | L | 32.4 | Very low | 33.5 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | trans | -138.7 | 107.3 | 151.7 | -153.7 | 149.2 | 0 | 0 | 0 | 107.6 | | |
| 23 | E | 34.7 | Very low | 33.3 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -81.9 | 140.7 | 172.4 | -84.4 | -153.8 | 140.5 | 0 | 0 | 111.1 | | |
| 24 | E | 32.4 | Very low | 32.5 | Very low | 190 Ų | 190 | 131.6 Ų | 131.6 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | 167.8 | 131.7 | 138.8 | -103 | -177.8 | 123.5 | 0 | 0 | 106.4 | | |
| 25 | A | 33.6 | Very low | 32.6 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 65% | 0.645 | 81% | 0.808 | S | S | * | * | | | cis | -158.8 | 138.7 | 4.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 26 | Q | 33.5 | Very low | 32.3 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | 37.1 | 109.1 | 131.4 | -53.8 | 178.8 | 0.3 | 0 | 0 | 119.2 | | |
| 27 | T | 29.7 | Very low | 32.2 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | | 169.8 | 113.3 | 93.1 | 18.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 28 | A | 30.7 | Very low | 32.5 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | -90.5 | 123.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 29 | T | 34.1 | Very low | 32.3 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | | | trans | -129 | 125.5 | 147 | 21.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 30 | A | 32.9 | Very low | 32 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | -65.4 | 148.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 31 | S | 30.6 | Very low | 32.1 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | | 170.6 | 128.3 | 115.3 | -167.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 32 | A | 33 | Very low | 32.5 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 60% | 0.603 | 80% | 0.801 | S | S | * | * | | | trans | 56.2 | 119.7 | 138.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 33 | Q | 30.7 | Very low | 32.8 | Very low | 201 Ų | 201 | 136.7 Ų | 136.7 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | | | | 68.2 | 125.7 | 128.2 | -63.9 | -179.1 | -77.6 | 0 | 0 | 120.2 | | |
| 34 | G | 29.4 | Very low | 32.7 | Very low | 78 Ų | 78 | 135.7 Ų | 135.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 123.1 | 85.1 | 146.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 35 | E | 33.1 | Very low | 32.7 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | | | trans | -69.7 | 125.4 | 165.1 | -66 | 179.8 | 144.7 | 0 | 0 | 109.9 | | |
| 36 | Q | 31.3 | Very low | 32.9 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | 9.1 | 153.3 | 132.2 | -69.9 | -171.7 | -54.4 | 0 | 0 | 117.8 | | |
| 37 | E | 30.7 | Very low | 33.2 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | | | cis | 179.6 | 145.5 | -5.6 | -110.6 | 176.7 | -156 | 0 | 0 | 102.4 | | |
| 38 | K | 35.6 | Very low | 33.6 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | 59.2 | 154.6 | 146.8 | -79.1 | -173.5 | 174 | -173.5 | 0 | 117.6 | | |
| 39 | E | 30.5 | Very low | 34.1 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | cis | -168.3 | 154.1 | 3 | 159.5 | 177.6 | 175.5 | 0 | 0 | 104.3 | | |
| 40 | A | 34.9 | Very low | 34.8 | Very low | 88 Ų | 88 | 138.6 Ų | 138.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -24.4 | 130.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 41 | D | 32.5 | Very low | 35.7 | Very low | 161 Ų | 161 | 139 Ų | 139 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | | -154.7 | 137 | 116.6 | -129.3 | -20.3 | 0 | 0 | 0 | 111.4 | | |
| 42 | S | 36.3 | Very low | 36.7 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -80.6 | 135.8 | -175.5 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 43 | P | 38.1 | Very low | 37.4 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | -99.1 | 146.3 | 171.3 | 35.9 | -28.9 | 0 | 0 | 0 | 112.7 | | |
| 44 | L | 32.5 | Very low | 38.2 | Very low | 156 Ų | 156 | 140 Ų | 140 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | trans | 70.3 | 117.5 | 140.1 | -65.2 | 163.8 | 0 | 0 | 0 | 120.3 | | |
| 45 | N | 32.6 | Very low | 39.1 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | | | trans | -23.8 | 125 | 141.8 | -78.4 | -93.1 | 0 | 0 | 0 | 112.9 | | |
| 46 | T | 38.8 | Very low | 40.1 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -89.7 | 129.8 | 165.8 | 51.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 47 | E | 40.1 | Very low | 40.8 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -52.3 | 151.9 | 172.6 | -64.8 | 127.3 | 132 | 0 | 0 | 113.5 | E49 | E47-E49 HydrophobicContact CB-CG 4.24Š|
| 48 | G | 36.5 | Very low | 41.9 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -145.3 | 66.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q50 | G48-Q50 PolarHBondContact O-N 3.43Š|
| 49 | E | 42.1 | Very low | 42.2 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | trans | -62.1 | 123.9 | 177.3 | -47.9 | -163.9 | 140.1 | 0 | 0 | 110.6 | E47 | E47-E49 HydrophobicContact CB-CG 4.24Š|
| 50 | Q | 48.4 | Very low | 43.4 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | | | trans | -140.8 | 83.3 | 142.3 | -68.3 | -162.9 | -1.9 | 0 | 0 | 108 | G48 L52 | G48-Q50 PolarHBondContact O-N 3.43Å; Q50-L52 PolarHBondContact O-N 2.74Å |
| 51 | S | 52.9 | Low | 44.2 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | -57.1 | 116.1 | 154.7 | 179.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 52 | L | 50.2 | Low | 45.3 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | | | trans | -168.4 | 122.1 | 137.4 | -79.7 | -160.9 | 0 | 0 | 0 | 109.6 | Q50 | Q50-L52 PolarHBondContact O-N 2.74Š|
| 53 | L | 48.8 | Very low | 45.6 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | trans | 85 | 101.2 | 150.1 | -65.6 | 149.6 | 0 | 0 | 0 | 119.2 | | |
| 54 | S | 47.3 | Very low | 45.8 | Very low | 104 Ų | 104 | 152.4 Ų | 152.4 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | | 83.7 | 109.1 | 118.6 | -152.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 55 | M | 48.5 | Very low | 46.1 | Very low | 153 Ų | 153 | 152.7 Ų | 152.7 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | | | trans | 73.3 | 117.6 | 156.4 | -65.4 | -104.1 | 53.6 | 0 | 0 | 118.8 | | |
| 56 | P | 52.3 | Low | 46.6 | Very low | 118 Ų | 118 | 150 Ų | 150 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | | | trans | -112.7 | 100.8 | 169.9 | 35.7 | -21.3 | 0 | 0 | 0 | 112 | | |
| 57 | C | 46.2 | Very low | 46.9 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 70% | 0.703 | 79% | 0.792 | S | S | * | * | | | trans | 176 | 133.2 | 153 | 54.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 58 | L | 54.8 | Low | 46.7 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | cis | -156 | 127.1 | 27.6 | -65.5 | 163.6 | 0 | 0 | 0 | 107.3 | | |
| 59 | M | 40.7 | Very low | 46.8 | Very low | 186 Ų | 186 | 149.9 Ų | 149.9 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | | | trans | -139.8 | 106.9 | 161.3 | -72 | -66 | -71.9 | 0 | 0 | 108.7 | E61 | M59-E61 PolarHBondContact O-N 2.91Š|
| 60 | K | 55.8 | Low | 46.6 | Very low | 207 Ų | 207 | 149.2 Ų | 149.2 | 90% | 0.9 | 78% | 0.781 | S | S | * | * | | | trans | -65.9 | 120.4 | 162.7 | -82.8 | 162.7 | 173.6 | 170.4 | 0 | 107.1 | L62 | K60-L62 PolarHBondContact O-N 3.05Š|
| 61 | E | 53.2 | Low | 45.9 | Very low | 137 Ų | 137 | 149.1 Ų | 149.1 | 64% | 0.64 | 78% | 0.78 | S | S | * | * | | | trans | -61.7 | 101.7 | 174.6 | -175.8 | -179.1 | -147.2 | 0 | 0 | 109.8 | M59 R63 | M59-E61 PolarHBondContact O-N 2.91Å; E61-R63 IonicContact OE1-CZ 2.92Å; E61-R63 IonicContact OE1-NE 3.48Å; E61-R63 PolarHBondContact OE1-NE 3.45Å; E61-R63 IonicContact OE1-NH1 3.45Å; E61-R63 PolarHBondContact OE1-NH1 3.15Å; E61-R63 IonicContact OE1-NH2 2.91Å; E61-R63 PolarHBondContact OE1-NH2 3.18Å; E61-R63 IonicContact OE2-CZ 3.23Å; E61-R63 VanDerWaalsContact OE2-CZ 3.23Å; E61-R63 IonicContact OE2-NE 3.94Å; E61-R63 PolarHBondContact OE2-NE 3.32Å; E61-R63 VanDerWaalsContact OE2-NE 3.15Å; E61-R63 IonicContact OE2-NH2 2.74Å; E61-R63 PolarHBondContact OE2-NH2 3.2Å |
| 62 | L | 54 | Low | 44.9 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | -87.9 | 105.6 | 164.7 | -168.8 | 65.2 | 0 | 0 | 0 | 107 | K60 R64 | K60-L62 PolarHBondContact O-N 3.05Å; L62-R64 PolarHBondContact O-N 3.27Å |
| 63 | R | 43.1 | Very low | 44.5 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | | | trans | -58.2 | 132.2 | 178.2 | -64.8 | -73.9 | 178.1 | 164.2 | -7.5 | 109.2 | E61 | E61-R63 IonicContact OE1-CZ 2.92Å; E61-R63 IonicContact OE1-NE 3.48Å; E61-R63 PolarHBondContact OE1-NE 3.45Å; E61-R63 IonicContact OE1-NH1 3.45Å; E61-R63 PolarHBondContact OE1-NH1 3.15Å; E61-R63 IonicContact OE1-NH2 2.91Å; E61-R63 PolarHBondContact OE1-NH2 3.18Å; E61-R63 IonicContact OE2-CZ 3.23Å; E61-R63 VanDerWaalsContact OE2-CZ 3.23Å; E61-R63 IonicContact OE2-NE 3.94Å; E61-R63 PolarHBondContact OE2-NE 3.32Å; E61-R63 VanDerWaalsContact OE2-NE 3.15Å; E61-R63 IonicContact OE2-NH2 2.74Å; E61-R63 PolarHBondContact OE2-NH2 3.2Å |
| 64 | R | 42.7 | Very low | 43.9 | Very low | 233 Ų | 233 | 145.5 Ų | 145.5 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | -85.5 | 116 | -179.5 | -56.9 | -179.5 | -134.4 | 97.2 | 0.9 | 108.6 | L62 | L62-R64 PolarHBondContact O-N 3.27Š|
| 65 | D | 38.4 | Very low | 43.2 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | | | trans | -111.2 | 106.6 | 153.9 | -68.8 | -46.1 | 0 | 0 | 0 | 106.9 | | |
| 66 | S | 44.3 | Very low | 42.8 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -90.3 | 150.8 | 171.8 | -156.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 67 | P | 44.7 | Very low | 41.9 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | | | | -141.4 | 141.1 | 77.1 | 31 | -11.1 | 0 | 0 | 0 | 116.1 | | |
| 68 | E | 35.8 | Very low | 41.7 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 65% | 0.645 | 79% | 0.791 | S | S | * | * | | | | 42.5 | 107.8 | 121 | -153.8 | 69.3 | -149.8 | 0 | 0 | 119.1 | | |
| 69 | S | 37.8 | Very low | 41.4 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | | 173 | 111.1 | 112.1 | 44.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 70 | Q | 37.9 | Very low | 41.4 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | 12.4 | 128.9 | 139.3 | -50.8 | -177 | -1.3 | 0 | 0 | 118 | | |
| 71 | H | 34.3 | Very low | 40.7 | Very low | 190 Ų | 190 | 138 Ų | 138 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | | | | -172.8 | 144.3 | 108.3 | -87.9 | -64.2 | 0 | 0 | 0 | 110.9 | | |
| 72 | A | 32.9 | Very low | 40 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | -83 | 166.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 73 | S | 42.1 | Very low | 39.2 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | 98.7 | 143.1 | 137.3 | -98.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 74 | T | 35.8 | Very low | 39.4 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | 80.4 | 118.3 | 171.1 | 79.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 75 | G | 32.4 | Very low | 39.4 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | | | cis | 105.3 | 96.2 | 23.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 76 | S | 39.6 | Very low | 39.6 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | 170.7 | 99.5 | 154.1 | 175.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 77 | D | 33.2 | Very low | 40.2 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | | 40 | 112.5 | 124 | -141.3 | -25 | 0 | 0 | 0 | 121.2 | | |
| 78 | K | 41.7 | Very low | 40.8 | Very low | 203 Ų | 203 | 139.8 Ų | 139.8 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | | -178.2 | 127.3 | 122.5 | -98 | 163.8 | -176.7 | 177.7 | 0 | 111.8 | | |
| 79 | P | 49.8 | Very low | 41.5 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | | | trans | -102.3 | 133.6 | 175.4 | 35.4 | -27.6 | 0 | 0 | 0 | 112.8 | | |
| 80 | V | 39 | Very low | 42.1 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | | | trans | -143.2 | 93.1 | 154 | 111.8 | 0 | 0 | 0 | 0 | 105.7 | | |
| 81 | S | 41.5 | Very low | 42.8 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | | | | 77.1 | 97.7 | 96.5 | -174.5 | 0 | 0 | 0 | 0 | 113 | | |
| 82 | R | 38.8 | Very low | 43.6 | Very low | 233 Ų | 233 | 133.8 Ų | 133.8 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | | 47.5 | 123.2 | 129.1 | -55.4 | 179.1 | -172.7 | -113.3 | 3.1 | 115.1 | | |
| 83 | H | 38.1 | Very low | 44.4 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | cis | -177.2 | 123.6 | 45.9 | 178.7 | -104 | 0 | 0 | 0 | 105.7 | Y85 | H83-Y85 PolarHBondContact O-N 3.42Å; H83-Y85 VanDerWaalsContact O-N 3.12Å |
| 84 | V | 47 | Very low | 45.3 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | -64.4 | 108.1 | 165.9 | 174.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 85 | Y | 43.3 | Very low | 46.3 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | | | trans | -98.4 | 142.2 | 165.6 | -165.5 | -98 | 0 | 0 | 0 | 108.4 | H83 | H83-Y85 PolarHBondContact O-N 3.42Å; H83-Y85 VanDerWaalsContact O-N 3.12Å |
| 86 | E | 40.8 | Very low | 47.1 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | | | trans | -47.6 | 139.6 | -161.7 | -67.1 | -168.1 | 158.5 | 0 | 0 | 116.6 | | |
| 87 | S | 57.6 | Low | 47.8 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | | | trans | -87.6 | 101.1 | 148.6 | -67 | 0 | 0 | 0 | 0 | 108.7 | | |
| 88 | D | 57.7 | Low | 48.4 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | -151 | 146.6 | 148.7 | -160 | 1.1 | 0 | 0 | 0 | 110.3 | | |
| 89 | S | 50.6 | Low | 49 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | | | trans | 89.9 | 104.4 | 167.1 | 82.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 90 | S | 49.8 | Very low | 49.1 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | | | | 86.8 | 108.9 | 123.6 | 76.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 91 | N | 52.3 | Low | 49.9 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | | | trans | 46.7 | 119 | 138.1 | -60.1 | -29.2 | 0 | 0 | 0 | 120.1 | C93 | N91-C93 PolarHBondContact O-N 3.36Š|
| 92 | P | 51.2 | Low | 50.7 | Low | 138 Ų | 138 | 135.2 Ų | 135.2 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 25.4 | 169.4 | 36.6 | -34.8 | 0 | 0 | 0 | 113.2 | | |
| 93 | C | 50.4 | Low | 51.6 | Low | 105 Ų | 105 | 132 Ų | 132 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 5 | -172.5 | -56.2 | 0 | 0 | 0 | 0 | 114.1 | N91 | N91-C93 PolarHBondContact O-N 3.36Š|
| 94 | M | 60.8 | Low | 52.4 | Low | 159 Ų | 159 | 128.6 Ų | 128.6 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -118.1 | 64.7 | -176.4 | -66.9 | -60.1 | -63.2 | 0 | 0 | 112.2 | | |
| 95 | L | 57.4 | Low | 52.6 | Low | 169 Ų | 169 | 127.7 Ų | 127.7 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -122.5 | 90.7 | 157.1 | -69.4 | 177.9 | 0 | 0 | 0 | 109.5 | | |
| 96 | S | 49.1 | Very low | 53.2 | Low | 101 Ų | 101 | 123.6 Ų | 123.6 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | 60.9 | 129.8 | 151.1 | -56.4 | 0 | 0 | 0 | 0 | 121.7 | S98 | S96-S98 PolarHBondContact O-N 3.43Š|
| 97 | P | 53.4 | Low | 53.9 | Low | 129 Ų | 129 | 123.3 Ų | 123.3 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | -75.2 | 112.1 | 162.9 | 31.2 | -27.4 | 0 | 0 | 0 | 108.9 | S99 | P97-S99 PolarHBondContact O-N 2.94Š|
| 98 | S | 46.3 | Very low | 54.1 | Low | 121 Ų | 121 | 123.4 Ų | 123.4 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | -72.8 | 101 | 166.2 | -72.8 | 0 | 0 | 0 | 0 | 109.3 | S96 | S96-S98 PolarHBondContact O-N 3.43Š|
| 99 | S | 54 | Low | 53.6 | Low | 118 Ų | 118 | 124.5 Ų | 124.5 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | trans | -56.8 | 129.9 | 153.3 | 173.4 | 0 | 0 | 0 | 0 | 109.6 | P97 | P97-S99 PolarHBondContact O-N 2.94Š|
| 100 | S | 53.1 | Low | 53.4 | Low | 123 Ų | 123 | 125.7 Ų | 125.7 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | | | trans | -163 | 112.6 | 155.3 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 101 | G | 54.9 | Low | 53.4 | Low | 66 Ų | 66 | 126.5 Ų | 126.5 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | | | trans | 98.7 | 66.3 | 139 | 0 | 0 | 0 | 0 | 0 | 118 | L103 | G101-L103 PolarHBondContact O-N 3.29Š|
| 102 | H | 57.2 | Low | 53.5 | Low | 149 Ų | 149 | 123.6 Ų | 123.6 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | | | trans | -73 | 107.8 | 148.8 | 177.9 | 48.4 | 0 | 0 | 0 | 107.7 | D105 | H102-D105 IonicContact CE1-OD1 3.83Å; H102-D105 PolarHBondContact CE1-OD1 3.28Å; H102-D105 IonicContact CE1-OD2 3.52Å; H102-D105 IonicContact NE2-OD1 2.65Å; H102-D105 IonicContact NE2-OD2 2.72Å |
| 103 | L | 57.8 | Low | 53.7 | Low | 167 Ų | 167 | 126.3 Ų | 126.3 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -148.1 | 93.9 | 162.9 | -69.7 | -171.9 | 0 | 0 | 0 | 108.3 | G101 | G101-L103 PolarHBondContact O-N 3.29Š|
| 104 | A | 55.8 | Low | 53.5 | Low | 82 Ų | 82 | 129.9 Ų | 129.9 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -176.3 | 58.2 | 149.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S106 | A104-S106 VanDerWaalsContact C-N 3.34Å; A104-S106 PolarHBondContact O-N 3.36Å |
| 105 | D | 50.8 | Low | 52.4 | Low | 122 Ų | 122 | 125.2 Ų | 125.2 | 65% | 0.652 | 78% | 0.782 | S | S | * | * | | | trans | -79.9 | 97.4 | 150.3 | -61.5 | -24.1 | 0 | 0 | 0 | 104.8 | H102 | H102-D105 IonicContact CE1-OD1 3.83Å; H102-D105 PolarHBondContact CE1-OD1 3.28Å; H102-D105 IonicContact CE1-OD2 3.52Å; H102-D105 IonicContact NE2-OD1 2.65Å; H102-D105 IonicContact NE2-OD2 2.72Å |
| 106 | S | 56.6 | Low | 51.4 | Low | 104 Ų | 104 | 122.1 Ų | 122.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -112.1 | 84.9 | 166.5 | -68.6 | 0 | 0 | 0 | 0 | 107.3 | A104 T108 | A104-S106 VanDerWaalsContact C-N 3.34Å; A104-S106 PolarHBondContact O-N 3.36Å; S106-T108 PolarHBondContact O-N 3.4Å |
| 107 | D | 55.3 | Low | 50.7 | Low | 143 Ų | 143 | 122.2 Ų | 122.2 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | | | trans | -58.5 | 110.6 | 157.1 | -64.9 | -45.5 | 0 | 0 | 0 | 108.8 | | |
| 108 | T | 62.7 | Low | 49.8 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -104.9 | 90.7 | 156.5 | 58.2 | 0 | 0 | 0 | 0 | 107.5 | S106 | S106-T108 PolarHBondContact O-N 3.4Š|
| 109 | L | 46.4 | Very low | 49.9 | Very low | 164 Ų | 164 | 127.9 Ų | 127.9 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | -61.6 | 142 | 163.8 | -67.7 | 176 | 0 | 0 | 0 | 110.2 | | |
| 110 | S | 47.1 | Very low | 48.8 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | trans | -57.5 | 138.5 | 170.5 | -176.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 111 | S | 48.8 | Very low | 47.9 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -163 | 126 | 149.6 | -167.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 112 | G | 55.5 | Low | 46.8 | Very low | 63 Ų | 63 | 129.9 Ų | 129.9 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | | | cis | 100.5 | 81.7 | 27.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 113 | E | 53.7 | Low | 45.8 | Very low | 196 Ų | 196 | 128.7 Ų | 128.7 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | | | trans | 172.6 | 162.5 | 133.5 | 70.3 | 168.1 | -165.5 | 0 | 0 | 114.3 | | |
| 114 | E | 47 | Very low | 44.6 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | | | trans | -84.3 | 159.1 | -171.2 | 154.3 | -104.6 | 153.2 | 0 | 0 | 112.6 | | |
| 115 | G | 38.5 | Very low | 43.5 | Very low | 62 Ų | 62 | 132.1 Ų | 132.1 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | | | trans | 148.6 | 100.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 116 | A | 36.8 | Very low | 42.7 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | 25.1 | 130.7 | 144.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 117 | A | 33 | Very low | 41.6 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | | 160.5 | 131.6 | 102.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 118 | R | 35.9 | Very low | 40.5 | Very low | 241 Ų | 241 | 140.3 Ų | 140.3 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -84.5 | 158.8 | 159.1 | -76.6 | 176.9 | 161.9 | 179 | -4.8 | 109.3 | | |
| 119 | P | 46.6 | Very low | 39.2 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | | -151.1 | -176.5 | 92.7 | 27.5 | -3.4 | 0 | 0 | 0 | 111.5 | | |
| 120 | A | 31.8 | Very low | 38.8 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | cis | -175.8 | 164.9 | -17.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 121 | G | 33.5 | Very low | 38.3 | Very low | 69 Ų | 69 | 136.9 Ų | 136.9 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | 130.9 | 93.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 122 | E | 32.5 | Very low | 37.7 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | | 53.6 | 134.9 | 85.6 | -84.3 | -157.9 | 130.1 | 0 | 0 | 113.5 | | |
| 123 | L | 36.8 | Very low | 36.9 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 65% | 0.654 | 81% | 0.81 | S | S | * | * | | | cis | -165.4 | 152 | 10 | -99 | 158 | 0 | 0 | 0 | 108.3 | | |
| 124 | E | 31.2 | Very low | 36.1 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | | | trans | 71.2 | 152.4 | 138.8 | -67.5 | -74.5 | 159.4 | 0 | 0 | 124.8 | | |
| 125 | K | 32.9 | Very low | 36.2 | Very low | 174 Ų | 174 | 128.4 Ų | 128.4 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | | | trans | -80.5 | 154.2 | -155.6 | -61 | 154.8 | 179.5 | 143.8 | 0 | 115.6 | | |
| 126 | R | 33.8 | Very low | 36.5 | Very low | 228 Ų | 228 | 137.6 Ų | 137.6 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | | 159.9 | 123 | 99.2 | -161.5 | 170.6 | -171.9 | 179.5 | 0.8 | 112.6 | | |
| 127 | E | 33.8 | Very low | 37.2 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | | | trans | 7.6 | 121 | 155.6 | -55.2 | 177.2 | 164.1 | 0 | 0 | 120.2 | | |
| 128 | T | 31.5 | Very low | 37.6 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | | | | -154.2 | 149.1 | 118.2 | 40.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 129 | S | 37.1 | Very low | 38.1 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -63.6 | 147.7 | -169.6 | 50.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 130 | A | 37.8 | Very low | 38.4 | Very low | 86 Ų | 86 | 147.6 Ų | 147.6 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | | | trans | 120.2 | 133.1 | 137.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 131 | T | 35.9 | Very low | 38.9 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | trans | 89.1 | 114.7 | 164.5 | 68.7 | 0 | 0 | 0 | 0 | 118 | | |
| 132 | A | 36.1 | Very low | 39.5 | Very low | 109 Ų | 109 | 151.7 Ų | 151.7 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | -77.7 | 116.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 133 | S | 38.6 | Very low | 40.3 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -79.9 | 144.6 | 147.6 | 65.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 134 | G | 37.8 | Very low | 41 | Very low | 71 Ų | 71 | 152.1 Ų | 152.1 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | | | | 115 | 120.4 | 61.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 135 | G | 47.6 | Very low | 41.4 | Very low | 77 Ų | 77 | 150.8 Ų | 150.8 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | | | trans | 57.4 | 87.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 136 | R | 45.3 | Very low | 41.7 | Very low | 255 Ų | 255 | 151.8 Ų | 151.8 | 96% | 0.962 | 84% | 0.835 | S | S | * | * | | | trans | -102.2 | 120.7 | 161.3 | -63.6 | -173.3 | 80.3 | -166.6 | 4.6 | 111 | | |
| 137 | K | 52.6 | Low | 42.3 | Very low | 210 Ų | 210 | 148.7 Ų | 148.7 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | | | trans | -54.9 | 139.2 | 174.5 | -54.9 | 148.3 | -178.2 | -174.3 | 0 | 110.7 | | |
| 138 | S | 41 | Very low | 42.6 | Very low | 124 Ų | 124 | 148 Ų | 148 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | | | trans | -130.7 | 119.4 | 160.2 | -167.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 139 | R | 45.7 | Very low | 43.3 | Very low | 233 Ų | 233 | 146.1 Ų | 146.1 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | | | trans | -69.9 | 133.3 | -177.5 | -119 | 163.7 | 150.7 | 150.3 | -8.4 | 109.1 | S141 | R139-S141 PolarHBondContact O-N 3.41Å; R139-S141 VanDerWaalsContact O-N 3.15Å |
| 140 | R | 53 | Low | 43.5 | Very low | 218 Ų | 218 | 148.3 Ų | 148.3 | 82% | 0.823 | 83% | 0.827 | S | S | * | * | | | trans | -68.8 | 102.6 | 169 | -169.3 | 177.7 | -140.8 | 179.3 | 4.6 | 108.4 | | |
| 141 | S | 42.1 | Very low | 44 | Very low | 103 Ų | 103 | 147.7 Ų | 147.7 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | | | trans | -89.7 | 112.2 | 168.3 | -56.4 | 0 | 0 | 0 | 0 | 108.3 | R139 | R139-S141 PolarHBondContact O-N 3.41Å; R139-S141 VanDerWaalsContact O-N 3.15Å |
| 142 | H | 47.2 | Very low | 44.6 | Very low | 156 Ų | 156 | 149.9 Ų | 149.9 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | | | trans | -78.9 | 129.6 | 159 | -72.3 | -96.1 | 0 | 0 | 0 | 107.2 | | |
| 143 | S | 48.2 | Very low | 45.3 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | | | trans | -125.2 | 122.4 | 168.1 | -65.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 144 | E | 51.4 | Low | 45.9 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | | | trans | -63.7 | 139.6 | 169.8 | -60.8 | 166.5 | 111.3 | 0 | 0 | 109.9 | | |
| 145 | S | 41.1 | Very low | 46.7 | Very low | 117 Ų | 117 | 155.5 Ų | 155.5 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | | | trans | -159.8 | 128 | 137.1 | 68 | 0 | 0 | 0 | 0 | 111.5 | | |
| 146 | E | 38.8 | Very low | 47.4 | Very low | 195 Ų | 195 | 160.7 Ų | 160.7 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | | | trans | -49.7 | 172.2 | 169 | -84.1 | 164 | 93.1 | 0 | 0 | 116 | | |
| 147 | M | 45.4 | Very low | 48 | Very low | 164 Ų | 164 | 156.1 Ų | 156.1 | 81% | 0.808 | 83% | 0.828 | S | S | * | * | | | trans | -62.7 | 151.8 | -167.7 | -84.4 | -65.9 | 115.6 | 0 | 0 | 119.2 | | |
| 148 | L | 39.6 | Very low | 47.8 | Very low | 153 Ų | 153 | 156.5 Ų | 156.5 | 80% | 0.801 | 82% | 0.824 | S | S | * | * | | | trans | 81.4 | 160.2 | 149.3 | -64.6 | 155.9 | 0 | 0 | 0 | 120.2 | | |
| 149 | P | 47.8 | Very low | 47.6 | Very low | 107 Ų | 107 | 156 Ų | 156 | 70% | 0.695 | 82% | 0.82 | S | S | * | * | | | cis | -132.6 | 165.4 | -46.2 | 36.3 | -20.4 | 0 | 0 | 0 | 113.3 | | |
| 150 | N | 41.7 | Very low | 47.5 | Very low | 163 Ų | 163 | 151.4 Ų | 151.4 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | 75.7 | 149.3 | 151.3 | -152.5 | 6.1 | 0 | 0 | 0 | 120.1 | | |
| 151 | A | 48.2 | Very low | 47.3 | Very low | 73 Ų | 73 | 146.7 Ų | 146.7 | 60% | 0.603 | 81% | 0.806 | S | S | * | * | | | trans | 87.3 | 108.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 152 | M | 47.9 | Very low | 47 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | | | trans | 87.6 | 94.1 | 140.7 | -53.3 | -106.3 | -157.8 | 0 | 0 | 119 | | |
| 153 | A | 50.2 | Low | 46.8 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -154.2 | 49 | 144.2 | 0 | 0 | 0 | 0 | 0 | 113 | K155 | A153-K155 PolarHBondContact O-N 3.12Š|
| 154 | A | 50.5 | Low | 46.4 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 93% | 0.934 | 81% | 0.81 | S | S | * | * | | | trans | -82 | 84.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 155 | K | 55.3 | Low | 45.7 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -109.9 | 122.7 | 174.8 | -164.6 | 170.1 | 178.1 | 177.6 | 0 | 110.8 | A153 | A153-K155 PolarHBondContact O-N 3.12Š|
| 156 | K | 61.8 | Low | 45.7 | Very low | 186 Ų | 186 | 141 Ų | 141 | 81% | 0.809 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 90.7 | 70.3 | 168.5 | -156.8 | -171 | 179.2 | -173.6 | 0 | 116.1 | | |
| 157 | N | 58.5 | Low | 45.9 | Very low | 159 Ų | 159 | 135 Ų | 135 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | -142.4 | 79.8 | 130.1 | -80 | -48.7 | 0 | 0 | 0 | 107.9 | C159 | N157-C159 VanDerWaalsContact C-N 3.32Å; N157-C159 PolarHBondContact O-N 3.12Å |
| 158 | R | 48 | Very low | 45.6 | Very low | 218 Ų | 218 | 134.8 Ų | 134.8 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | | | trans | -80.7 | 85.6 | 168.7 | 174.9 | 173.8 | -92.8 | 168.3 | -6 | 107 | Q160 | R158-Q160 HydrophobicContact CG-CG 4.12Å; R158-Q160 PolarHBondContact O-N 3.37Å |
| 159 | C | 37.9 | Very low | 46 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -77.5 | 107.8 | 160.9 | -68.2 | 0 | 0 | 0 | 0 | 107.1 | N157 | N157-C159 VanDerWaalsContact C-N 3.32Å; N157-C159 PolarHBondContact O-N 3.12Å |
| 160 | Q | 43.5 | Very low | 46 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 63% | 0.631 | 79% | 0.79 | S | S | * | * | | | trans | -85.8 | 130.2 | 161.7 | -65.6 | -68.7 | 4.3 | 0 | 0 | 107.5 | R158 | R158-Q160 HydrophobicContact CG-CG 4.12Å; R158-Q160 PolarHBondContact O-N 3.37Å |
| 161 | P | 48.8 | Very low | 46.5 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -87.2 | 110.8 | 159.1 | 32.2 | -22.4 | 0 | 0 | 0 | 107.1 | | |
| 162 | T | 34.4 | Very low | 46.5 | Very low | 123 Ų | 123 | 141 Ų | 141 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -128.2 | 102.6 | 164.6 | -58.5 | 0 | 0 | 0 | 0 | 107 | | |
| 163 | A | 44.4 | Very low | 46.6 | Very low | 89 Ų | 89 | 139.6 Ų | 139.6 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | -53.2 | 136.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 164 | V | 39.4 | Very low | 46.5 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | 175.5 | 122.1 | 135.1 | 167.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 165 | A | 35.5 | Very low | 46.4 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | 75 | 150 | 150.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 166 | P | 42.6 | Very low | 46.2 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | -97.6 | 160 | -154.4 | 38.4 | -31.5 | 0 | 0 | 0 | 113 | | |
| 167 | G | 43.3 | Very low | 45.7 | Very low | 70 Ų | 70 | 133.9 Ų | 133.9 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | 95.6 | 107.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 168 | Q | 37.9 | Very low | 45.2 | Very low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | | 163 | 96.3 | 120.8 | -77 | -125.8 | -53 | 0 | 0 | 106.5 | K170 | Q168-K170 PolarHBondContact O-N 3.04Š|
| 169 | E | 48.5 | Very low | 45.4 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | trans | -51.9 | 99.1 | 162.1 | 178.8 | -170.3 | 171.5 | 0 | 0 | 108.8 | | |
| 170 | K | 48 | Very low | 46.6 | Very low | 159 Ų | 159 | 135 Ų | 135 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | trans | -114.6 | 100.8 | 165.2 | -70.4 | -160.9 | 175.7 | -173.4 | 0 | 108.1 | Q168 T172 | Q168-K170 PolarHBondContact O-N 3.04Å; K170-T172 PolarHBondContact O-N 3.21Å |
| 171 | Q | 52.9 | Low | 47.6 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -47.6 | 100.2 | 167.3 | -61.9 | 176.6 | -41.8 | 0 | 0 | 109.4 | | |
| 172 | T | 48.2 | Very low | 48.8 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -94.2 | 106.5 | 162.9 | 53 | 0 | 0 | 0 | 0 | 106.7 | K170 G174 | K170-T172 PolarHBondContact O-N 3.21Å; T172-G174 PolarHBondContact O-N 3.01Å |
| 173 | N | 50 | Low | 50.7 | Low | 160 Ų | 160 | 133.3 Ų | 133.3 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | | | trans | -57.1 | 78 | 168.4 | -80.7 | -76.9 | 0 | 0 | 0 | 109.8 | K175 | N173-K175 VanDerWaalsContact C-N 3.35Å; N173-K175 PolarHBondContact O-N 3.15Å; N173-K175 VanDerWaalsContact O-N 3.15Å |
| 174 | G | 47.1 | Very low | 52.7 | Low | 58 Ų | 58 | 132.7 Ų | 132.7 | 60% | 0.598 | 74% | 0.743 | S | S | * | * | | | trans | -78.8 | 88 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | T172 L176 | T172-G174 PolarHBondContact O-N 3.01Å; G174-L176 PolarHBondContact O-N 3.37Å |
| 175 | K | 49.4 | Very low | 55.1 | Low | 202 Ų | 202 | 133.8 Ų | 133.8 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | | | trans | -14.8 | 97.6 | 163 | -148.9 | 142.6 | 179.5 | 171.6 | 0 | 111.3 | N173 G177 | N173-K175 VanDerWaalsContact C-N 3.35Å; N173-K175 PolarHBondContact O-N 3.15Å; N173-K175 VanDerWaalsContact O-N 3.15Å; K175-G177 PolarHBondContact O-N 2.98Å |
| 176 | L | 49.7 | Very low | 57.9 | Low | 159 Ų | 159 | 137.8 Ų | 137.8 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | | | trans | -57 | 106.3 | -179.3 | -67 | 168.9 | 0 | 0 | 0 | 107.5 | G174 K178 | G174-L176 PolarHBondContact O-N 3.37Å; L176-K178 PolarHBondContact O-N 3.14Å; L176-K178 VanDerWaalsContact O-N 3.11Å |
| 177 | G | 52.3 | Low | 60.4 | Low | 65 Ų | 65 | 135.7 Ų | 135.7 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | | | trans | -50.1 | 122.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | K175 V179 | K175-G177 PolarHBondContact O-N 2.98Å; G177-V179 PolarHBondContact O-N 2.9Å |
| 178 | K | 48.3 | Very low | 62.9 | Low | 203 Ų | 203 | 139.4 Ų | 139.4 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | | | trans | -27.5 | 105 | -177.1 | -65.2 | -100.5 | -176.9 | 171.1 | 0 | 109.8 | L176 K180 | L176-K178 PolarHBondContact O-N 3.14Å; L176-K178 VanDerWaalsContact O-N 3.11Å; K178-K180 PolarHBondContact O-N 3.29Å |
| 179 | V | 51.1 | Low | 65.7 | Low | 114 Ų | 114 | 137 Ų | 137 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | | | trans | -65.1 | 88 | 176.9 | 177.9 | 0 | 0 | 0 | 0 | 106.1 | G177 G181 | G177-V179 PolarHBondContact O-N 2.9Å; V179-G181 PolarHBondContact O-N 2.84Å |
| 180 | K | 62.9 | Low | 68 | Low | 198 Ų | 198 | 136.5 Ų | 136.5 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | | | trans | -50.6 | 108.3 | 166.6 | 178.4 | 108.2 | 174.7 | 179.2 | 0 | 104.3 | K178 H182 | K178-K180 PolarHBondContact O-N 3.29Å; K180-H182 PolarHBondContact O-N 2.92Å; K180-H182 VanDerWaalsContact O-N 3.08Å |
| 181 | G | 65 | Low | 70.3 | Confident | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | | | trans | -36.3 | 118.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V179 R183 | V179-G181 PolarHBondContact O-N 2.84Å; G181-R183 VanDerWaalsContact C-N 3.28Å; G181-R183 PolarHBondContact O-N 3.48Å |
| 182 | H | 74.1 | Confident | 72.4 | Confident | 173 Ų | 173 | 130.4 Ų | 130.4 | 80% | 0.801 | 66% | 0.663 | S | S | * | * | | | trans | -63.2 | 95.9 | -170.3 | -158.5 | -65.3 | 0 | 0 | 0 | 107.6 | K180 S184 | K180-H182 PolarHBondContact O-N 2.92Å; K180-H182 VanDerWaalsContact O-N 3.08Å; H182-S184 PolarHBondContact O-N 2.9Å |
| 183 | R | 74.7 | Confident | 74.7 | Confident | 103 Ų | 103 | 129.2 Ų | 129.2 | 39% | 0.389 | 65% | 0.651 | S | S | . | * | | | trans | -53 | 129 | -179.8 | -163.4 | -174.7 | 176.7 | 107.4 | -0.6 | 107 | G181 Q185 H187 M191 | G181-R183 VanDerWaalsContact C-N 3.28Å; G181-R183 PolarHBondContact O-N 3.48Å; R183-Q185 PolarHBondContact O-N 3.23Å; R183-H187 HydrophobicContact CG-CB 3.9Å; R183-H187 WeakPolarHBondContact CG-CD2 3.47Å; R183-H187 PolarHBondContact NE-CD2 2.72Å; R183-H187 PolarHBondContact NE-NE2 2.91Å; R183-H187 PolarHBondContact NE-O 3.27Å; R183-H187 PolarHBondContact NH1-NE2 3.11Å; R183-H187 PolarHBondContact NH2-CD2 3.08Å; R183-H187 PolarHBondContact NH2-CE1 2.7Å; R183-H187 PolarHBondContact NH2-ND1 2.93Å; R183-H187 VanDerWaalsContact NH2-ND1 3.15Å; R183-H187 PolarHBondContact NH2-NE2 2.92Å; R183-M191 PolarHBondContact NH2-SD 2.89Å |
| 184 | S | 85.2 | Confident | 76.9 | Confident | 76 Ų | 76 | 124.5 Ų | 124.5 | 53% | 0.531 | 63% | 0.626 | S | S | . | * | | | trans | -48 | 140.8 | 177.3 | 167.9 | 0 | 0 | 0 | 0 | 110.4 | H182 K186 H187 K188 | H182-S184 PolarHBondContact O-N 2.9Å; S184-K186 PolarHBondContact O-N 3.44Å; S184-H187 CarbonylContact O-C 3.52Å; S184-H187 WeakPolarHBondContact O-CA 3.42Å; S184-H187 WeakPolarHBondContact O-CB 3.36Å; S184-H187 PolarHBondContact O-N 3.5Å; S184-K188 PolarHBondContact O-N 3.16Å |
| 185 | Q | 91.1 | Very high | 79.3 | Confident | 160 Ų | 160 | 130.1 Ų | 130.1 | 75% | 0.748 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -50.9 | -45 | -178.9 | -179.3 | 178.5 | -6.8 | 0 | 0 | 111.8 | R183 H187 K188 E189 | R183-Q185 PolarHBondContact O-N 3.23Å; Q185-H187 PolarHBondContact O-N 2.9Å; Q185-K188 WeakPolarHBondContact O-CB 3.42Å; Q185-K188 PolarHBondContact O-N 3.08Å; Q185-K188 VanDerWaalsContact O-N 3.14Å; Q185-E189 PolarHBondContact O-N 2.91Å |
| 186 | K | 93.7 | Very high | 81.6 | Confident | 175 Ų | 175 | 125.1 Ų | 125.1 | 76% | 0.761 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -57.2 | -39.4 | 174.7 | -68.4 | -167.6 | 174.7 | -172.7 | 0 | 112.2 | S184 E189 R190 | S184-K186 PolarHBondContact O-N 3.44Å; K186-E189 PolarHBondContact O-N 3.22Å; K186-R190 WeakPolarHBondContact O-CB 3.35Å; K186-R190 PolarHBondContact O-N 2.77Å |
| 187 | H | 94.6 | Very high | 83.8 | Confident | 81 Ų | 81 | 125.2 Ų | 125.2 | 38% | 0.375 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -77.6 | -28.2 | -179 | -172.1 | 51.5 | 0 | 0 | 0 | 112.7 | R183 S184 Q185 M191 | R183-H187 HydrophobicContact CG-CB 3.9Å; R183-H187 WeakPolarHBondContact CG-CD2 3.47Å; R183-H187 PolarHBondContact NE-CD2 2.72Å; R183-H187 PolarHBondContact NE-NE2 2.91Å; R183-H187 PolarHBondContact NE-O 3.27Å; R183-H187 PolarHBondContact NH1-NE2 3.11Å; R183-H187 PolarHBondContact NH2-CD2 3.08Å; R183-H187 PolarHBondContact NH2-CE1 2.7Å; R183-H187 PolarHBondContact NH2-ND1 2.93Å; R183-H187 VanDerWaalsContact NH2-ND1 3.15Å; R183-H187 PolarHBondContact NH2-NE2 2.92Å; S184-H187 CarbonylContact O-C 3.52Å; S184-H187 WeakPolarHBondContact O-CA 3.42Å; S184-H187 WeakPolarHBondContact O-CB 3.36Å; S184-H187 PolarHBondContact O-N 3.5Å; Q185-H187 PolarHBondContact O-N 2.9Å; H187-M191 WeakPolarHBondContact O-CG 3.35Å; H187-M191 PolarHBondContact O-N 3.44Å |
| 188 | K | 96 | Very high | 85.9 | Confident | 148 Ų | 148 | 130.2 Ų | 130.2 | 64% | 0.643 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.2 | -43.1 | 169.3 | -172.6 | 178.4 | 179.2 | -178.6 | 0 | 110.7 | S184 Q185 M191 R192 | S184-K188 PolarHBondContact O-N 3.16Å; Q185-K188 WeakPolarHBondContact O-CB 3.42Å; Q185-K188 PolarHBondContact O-N 3.08Å; Q185-K188 VanDerWaalsContact O-N 3.14Å; K188-M191 PolarHBondContact O-N 3.49Å; K188-R192 PolarHBondContact O-N 3.16Å |
| 189 | E | 95.9 | Very high | 88.1 | Confident | 110 Ų | 110 | 124.4 Ų | 124.4 | 51% | 0.514 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.1 | -45.6 | 176.6 | -174.5 | 175.9 | -169.6 | 0 | 0 | 112.2 | Q185 K186 M191 R192 L193 | Q185-E189 PolarHBondContact O-N 2.91Å; K186-E189 PolarHBondContact O-N 3.22Å; E189-M191 PolarHBondContact O-N 3.4Å; E189-R192 WeakPolarHBondContact O-CB 3.07Å; E189-R192 PolarHBondContact O-N 3.04Å; E189-L193 PolarHBondContact O-N 3.01Å |
| 190 | R | 96.8 | Very high | 89.8 | Confident | 163 Ų | 163 | 121.6 Ų | 121.6 | 62% | 0.615 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -54.2 | -40.7 | 174.1 | -176 | 178.5 | -179.9 | -93.3 | 5.6 | 112.2 | K186 L194 | K186-R190 WeakPolarHBondContact O-CB 3.35Å; K186-R190 PolarHBondContact O-N 2.77Å; R190-L194 WeakPolarHBondContact O-CB 3.42Å; R190-L194 PolarHBondContact O-N 3.23Å |
| 191 | M | 97.3 | Very high | 90.7 | Very high | 64 Ų | 64 | 115.2 Ų | 115.2 | 32% | 0.315 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71.5 | -37.9 | 176.7 | -70.2 | -55.3 | -66.5 | 0 | 0 | 113.3 | R183 H187 K188 E189 L193 L194 R195 | R183-M191 PolarHBondContact NH2-SD 2.89Å; H187-M191 WeakPolarHBondContact O-CG 3.35Å; H187-M191 PolarHBondContact O-N 3.44Å; K188-M191 PolarHBondContact O-N 3.49Å; E189-M191 PolarHBondContact O-N 3.4Å; M191-L193 VanDerWaalsContact C-N 3.33Å; M191-L194 PolarHBondContact O-N 3.29Å; M191-L194 HydrophobicContact SD-CD2 4.44Å; M191-R195 WeakPolarHBondContact O-CB 3.43Å; M191-R195 PolarHBondContact O-N 3.01Å |
| 192 | R | 96.6 | Very high | 91.3 | Very high | 131 Ų | 131 | 115 Ų | 115 | 49% | 0.494 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60 | -47.7 | 175.2 | -171 | -167.8 | 67.8 | 71.2 | 0.6 | 110 | K188 E189 L194 R195 Q196 | K188-R192 PolarHBondContact O-N 3.16Å; E189-R192 WeakPolarHBondContact O-CB 3.07Å; E189-R192 PolarHBondContact O-N 3.04Å; R192-L194 PolarHBondContact O-N 2.87Å; R192-R195 PolarHBondContact O-N 3.15Å; R192-Q196 WeakPolarHBondContact O-CB 3.36Å; R192-Q196 PolarHBondContact O-N 2.73Å |
| 193 | L | 97.2 | Very high | 91.6 | Very high | 105 Ų | 105 | 113.3 Ų | 113.3 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 178.8 | -170.2 | 66 | 0 | 0 | 0 | 111.6 | E189 M191 R195 Q196 K197 | E189-L193 PolarHBondContact O-N 3.01Å; M191-L193 VanDerWaalsContact C-N 3.33Å; L193-R195 VanDerWaalsContact C-N 3.32Å; L193-R195 PolarHBondContact O-N 2.91Å; L193-Q196 PolarHBondContact O-N 2.93Å; L193-K197 PolarHBondContact O-N 2.92Å |
| 194 | L | 96.9 | Very high | 91.5 | Very high | 62 Ų | 62 | 116.4 Ų | 116.4 | 33% | 0.325 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 176.5 | -170.3 | 64.4 | 0 | 0 | 0 | 112.1 | R190 M191 R192 R198 | R190-L194 WeakPolarHBondContact O-CB 3.42Å; R190-L194 PolarHBondContact O-N 3.23Å; M191-L194 PolarHBondContact O-N 3.29Å; M191-L194 HydrophobicContact SD-CD2 4.44Å; R192-L194 PolarHBondContact O-N 2.87Å; L194-R198 WeakPolarHBondContact O-CG 3.43Å; L194-R198 PolarHBondContact O-N 3.36Å |
| 195 | R | 97.1 | Very high | 90.5 | Very high | 175 Ų | 175 | 120.2 Ų | 120.2 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.3 | -46.2 | 173.5 | -174.2 | -179.4 | -66.5 | 152.4 | -2.4 | 111.1 | M191 R192 L193 K197 R198 E199 | M191-R195 WeakPolarHBondContact O-CB 3.43Å; M191-R195 PolarHBondContact O-N 3.01Å; R192-R195 PolarHBondContact O-N 3.15Å; L193-R195 VanDerWaalsContact C-N 3.32Å; L193-R195 PolarHBondContact O-N 2.91Å; R195-K197 VanDerWaalsContact C-N 3.31Å; R195-K197 PolarHBondContact O-N 3.01Å; R195-R198 PolarHBondContact O-N 3.05Å; R195-E199 WeakPolarHBondContact O-CB 3.41Å; R195-E199 PolarHBondContact O-N 3.2Å |
| 196 | Q | 96.9 | Very high | 88.9 | Confident | 98 Ų | 98 | 119.2 Ų | 119.2 | 46% | 0.458 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59 | -41.4 | 178.2 | -172.7 | 175.4 | 9.1 | 0 | 0 | 111.8 | R192 L193 E199 A200 | R192-Q196 WeakPolarHBondContact O-CB 3.36Å; R192-Q196 PolarHBondContact O-N 2.73Å; L193-Q196 PolarHBondContact O-N 2.93Å; Q196-E199 PolarHBondContact O-N 3.2Å; Q196-A200 WeakPolarHBondContact O-CB 3.37Å; Q196-A200 PolarHBondContact O-N 3.05Å |
| 197 | K | 96.8 | Very high | 87.4 | Confident | 161 Ų | 161 | 114.8 Ų | 114.8 | 70% | 0.7 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.3 | -43.4 | 176.5 | -173.3 | 175.5 | 178.4 | 176.1 | 0 | 112.3 | L193 R195 E199 A200 A201 | L193-K197 PolarHBondContact O-N 2.92Å; R195-K197 VanDerWaalsContact C-N 3.31Å; R195-K197 PolarHBondContact O-N 3.01Å; K197-E199 VanDerWaalsContact C-N 3.33Å; K197-A200 PolarHBondContact O-N 3.13Å; K197-A201 PolarHBondContact O-N 3.14Å |
| 198 | R | 96.1 | Very high | 85.6 | Confident | 169 Ų | 169 | 116.7 Ų | 116.7 | 64% | 0.638 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63 | -40.9 | 175.8 | -69.8 | 172.4 | -174.4 | 178 | -0.7 | 111.5 | L194 R195 A201 A202 | L194-R198 WeakPolarHBondContact O-CG 3.43Å; L194-R198 PolarHBondContact O-N 3.36Å; R195-R198 PolarHBondContact O-N 3.05Å; R198-A201 PolarHBondContact O-N 3.25Å; R198-A202 WeakPolarHBondContact O-CB 3.39Å; R198-A202 PolarHBondContact O-N 3.26Å |
| 199 | E | 93.3 | Very high | 83.6 | Confident | 81 Ų | 81 | 115.5 Ų | 115.5 | 38% | 0.379 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.5 | -39 | 179.3 | -163.1 | -178.8 | 158.8 | 0 | 0 | 112.1 | R195 Q196 K197 A202 R203 | R195-E199 WeakPolarHBondContact O-CB 3.41Å; R195-E199 PolarHBondContact O-N 3.2Å; Q196-E199 PolarHBondContact O-N 3.2Å; K197-E199 VanDerWaalsContact C-N 3.33Å; E199-A202 PolarHBondContact O-N 3.43Å; E199-R203 WeakPolarHBondContact O-CB 3.37Å; E199-R203 WeakPolarHBondContact O-CG 3.46Å; E199-R203 PolarHBondContact O-N 3.47Å; E199-R203 IonicContact OE1-CZ 3.15Å; E199-R203 IonicContact OE1-NH1 3.18Å; E199-R203 PolarHBondContact OE1-NH1 3.19Å; E199-R203 IonicContact OE1-NH2 3.02Å; E199-R203 PolarHBondContact OE1-NH2 3.22Å |
| 200 | A | 87 | Confident | 81.6 | Confident | 55 Ų | 55 | 115.8 Ų | 115.8 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q196 K197 R203 K204 | Q196-A200 WeakPolarHBondContact O-CB 3.37Å; Q196-A200 PolarHBondContact O-N 3.05Å; K197-A200 PolarHBondContact O-N 3.13Å; A200-R203 PolarHBondContact O-N 3.37Å; A200-K204 WeakPolarHBondContact O-CB 3.48Å; A200-K204 PolarHBondContact O-N 2.89Å |
| 201 | A | 81.6 | Confident | 79.3 | Confident | 65 Ų | 65 | 114.3 Ų | 114.3 | 54% | 0.537 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K197 R198 K204 K205 | K197-A201 PolarHBondContact O-N 3.14Å; R198-A201 PolarHBondContact O-N 3.25Å; A201-K204 PolarHBondContact O-N 2.86Å; A201-K205 PolarHBondContact O-N 3.43Å |
| 202 | A | 79.4 | Confident | 77.1 | Confident | 61 Ų | 61 | 115.4 Ų | 115.4 | 50% | 0.504 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.7 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R198 E199 K205 Y206 | R198-A202 WeakPolarHBondContact O-CB 3.39Å; R198-A202 PolarHBondContact O-N 3.26Å; E199-A202 PolarHBondContact O-N 3.43Å; A202-K205 WeakPolarHBondContact O-CB 3.5Å; A202-K205 PolarHBondContact O-N 2.87Å; A202-Y206 PolarHBondContact O-N 3.01Å |
| 203 | R | 79.1 | Confident | 75.1 | Confident | 137 Ų | 137 | 113.9 Ų | 113.9 | 52% | 0.517 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.2 | -38.4 | 173.9 | -76.4 | -175.1 | 175.2 | 111.8 | 9.1 | 112.5 | E199 A200 K205 Y206 N207 | E199-R203 WeakPolarHBondContact O-CB 3.37Å; E199-R203 WeakPolarHBondContact O-CG 3.46Å; E199-R203 PolarHBondContact O-N 3.47Å; E199-R203 IonicContact OE1-CZ 3.15Å; E199-R203 IonicContact OE1-NH1 3.18Å; E199-R203 PolarHBondContact OE1-NH1 3.19Å; E199-R203 IonicContact OE1-NH2 3.02Å; E199-R203 PolarHBondContact OE1-NH2 3.22Å; A200-R203 PolarHBondContact O-N 3.37Å; R203-K205 VanDerWaalsContact C-N 3.27Å; R203-K205 PolarHBondContact O-N 3.41Å; R203-Y206 PolarHBondContact O-N 2.98Å; R203-Y206 VanDerWaalsContact O-N 3.12Å; R203-N207 WeakPolarHBondContact O-CB 3.44Å; R203-N207 PolarHBondContact O-N 3.02Å |
| 204 | K | 72.8 | Confident | 73 | Confident | 167 Ų | 167 | 115.2 Ų | 115.2 | 73% | 0.726 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.3 | -37.8 | 174.3 | -172.2 | 178.7 | 178.3 | -179.5 | 0 | 111.8 | A200 A201 L208 | A200-K204 WeakPolarHBondContact O-CB 3.48Å; A200-K204 PolarHBondContact O-N 2.89Å; A201-K204 PolarHBondContact O-N 2.86Å; K204-L208 WeakPolarHBondContact O-CB 3.39Å; K204-L208 PolarHBondContact O-N 3.45Å |
| 205 | K | 63.9 | Low | 70.5 | Confident | 157 Ų | 157 | 117.7 Ų | 117.7 | 68% | 0.683 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68 | -37.5 | 174.3 | -172.8 | -173.7 | 174.8 | -173.4 | 0 | 112.1 | A201 A202 R203 | A201-K205 PolarHBondContact O-N 3.43Å; A202-K205 WeakPolarHBondContact O-CB 3.5Å; A202-K205 PolarHBondContact O-N 2.87Å; R203-K205 VanDerWaalsContact C-N 3.27Å; R203-K205 PolarHBondContact O-N 3.41Å |
| 206 | Y | 58.6 | Low | 68.1 | Low | 139 Ų | 139 | 116.1 Ų | 116.1 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -80.8 | -35.9 | -178.3 | -171.3 | -96.8 | 0 | 0 | 0 | 113.4 | A202 R203 L209 Q210 | A202-Y206 PolarHBondContact O-N 3.01Å; R203-Y206 PolarHBondContact O-N 2.98Å; R203-Y206 VanDerWaalsContact O-N 3.12Å; Y206-L209 PolarHBondContact O-N 2.84Å; Y206-Q210 HydrophobicContact CD1-CG 4.14Å; Y206-Q210 HydrophobicContact CE1-CG 3.71Å; Y206-Q210 PolarHBondContact O-N 3.35Å; Y206-Q210 PolarHBondContact OH-NE2 2.92Å |
| 207 | N | 61.3 | Low | 65.9 | Low | 81 Ų | 81 | 115.5 Ų | 115.5 | 43% | 0.433 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.6 | -38.2 | 175.8 | -72.9 | -10.6 | 0 | 0 | 0 | 111.5 | R203 L209 Q210 D211 | R203-N207 WeakPolarHBondContact O-CB 3.44Å; R203-N207 PolarHBondContact O-N 3.02Å; N207-L209 PolarHBondContact O-N 3.36Å; N207-L209 VanDerWaalsContact O-N 3.14Å; N207-Q210 PolarHBondContact O-N 3.46Å; N207-D211 WeakPolarHBondContact O-CB 3.47Å; N207-D211 VanDerWaalsContact O-CG 3.28Å; N207-D211 PolarHBondContact O-N 2.86Å |
| 208 | L | 56.6 | Low | 64.1 | Low | 122 Ų | 122 | 115.7 Ų | 115.7 | 64% | 0.639 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -58.1 | -28.8 | 172.9 | -175.8 | 61.4 | 0 | 0 | 0 | 112.7 | K204 S212 | K204-L208 WeakPolarHBondContact O-CB 3.39Å; K204-L208 PolarHBondContact O-N 3.45Å; L208-S212 PolarHBondContact O-OG 3.37Å |
| 209 | L | 54.1 | Low | 61.9 | Low | 123 Ų | 123 | 115.1 Ų | 115.1 | 64% | 0.644 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -84.3 | -22 | 176.8 | -64.9 | 171.9 | 0 | 0 | 0 | 113.3 | Y206 N207 | Y206-L209 PolarHBondContact O-N 2.84Å; N207-L209 PolarHBondContact O-N 3.36Å; N207-L209 VanDerWaalsContact O-N 3.14Å |
| 210 | Q | 55.2 | Low | 59.7 | Low | 116 Ų | 116 | 116.4 Ų | 116.4 | 54% | 0.542 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -89.1 | -33.4 | 177 | -68.8 | -117.8 | -29 | 0 | 0 | 112.1 | Y206 N207 S212 | Y206-Q210 HydrophobicContact CD1-CG 4.14Å; Y206-Q210 HydrophobicContact CE1-CG 3.71Å; Y206-Q210 PolarHBondContact O-N 3.35Å; Y206-Q210 PolarHBondContact OH-NE2 2.92Å; N207-Q210 PolarHBondContact O-N 3.46Å; Q210-S212 VanDerWaalsContact C-N 3.27Å; Q210-S212 PolarHBondContact O-N 3.27Å |
| 211 | D | 48.7 | Very low | 57.9 | Low | 131 Ų | 131 | 119.1 Ų | 119.1 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -6.4 | 179.9 | -58.1 | -28.2 | 0 | 0 | 0 | 112.7 | N207 | N207-D211 WeakPolarHBondContact O-CB 3.47Å; N207-D211 VanDerWaalsContact O-CG 3.28Å; N207-D211 PolarHBondContact O-N 2.86Å |
| 212 | S | 50.8 | Low | 56.3 | Low | 88 Ų | 88 | 122.6 Ų | 122.6 | 62% | 0.615 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 6.3 | 177.1 | -61.1 | 0 | 0 | 0 | 0 | 114.2 | L208 Q210 | L208-S212 PolarHBondContact O-OG 3.37Å; Q210-S212 VanDerWaalsContact C-N 3.27Å; Q210-S212 PolarHBondContact O-N 3.27Å |
| 213 | S | 53.8 | Low | 54.5 | Low | 99 Ų | 99 | 124.7 Ų | 124.7 | 69% | 0.692 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -117.9 | 77.2 | 175.9 | -92 | 0 | 0 | 0 | 0 | 111.3 | | |
| 214 | T | 53 | Low | 53.1 | Low | 133 Ų | 133 | 123.9 Ų | 123.9 | 82% | 0.816 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -175.9 | 79 | 138.7 | 52.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 215 | S | 44.8 | Very low | 51.8 | Low | 113 Ų | 113 | 122.2 Ų | 122.2 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | | | trans | -176.1 | 76.4 | 150.8 | -90.4 | 0 | 0 | 0 | 0 | 109 | S217 | S215-S217 VanDerWaalsContact C-N 3.33Š|
| 216 | D | 47.5 | Very low | 51.1 | Low | 142 Ų | 142 | 120.6 Ų | 120.6 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | | | trans | -87.5 | 87.8 | 150 | -170.5 | 16.3 | 0 | 0 | 0 | 105.6 | | |
| 217 | S | 50 | Low | 50.6 | Low | 86 Ų | 86 | 118.8 Ų | 118.8 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | | | trans | -95.6 | 102.6 | 164.4 | -73.1 | 0 | 0 | 0 | 0 | 106.1 | S215 L219 | S215-S217 VanDerWaalsContact C-N 3.33Å; S217-L219 VanDerWaalsContact C-N 3.34Å; S217-L219 PolarHBondContact O-N 3.25Å |
| 218 | E | 59 | Low | 50.2 | Low | 164 Ų | 164 | 119.2 Ų | 119.2 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | | | trans | -58.6 | 98.3 | 168.5 | -56 | -160.7 | 153.6 | 0 | 0 | 108.3 | T220 | E218-T220 PolarHBondContact O-N 3.29Å; E218-T220 VanDerWaalsContact O-N 3.16Å |
| 219 | L | 49.3 | Very low | 49.8 | Very low | 157 Ų | 157 | 120.7 Ų | 120.7 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | | | trans | -74.9 | 103 | 167.7 | -55.1 | 179.7 | 0 | 0 | 0 | 106.1 | S217 C221 | S217-L219 VanDerWaalsContact C-N 3.34Å; S217-L219 PolarHBondContact O-N 3.25Å; L219-C221 PolarHBondContact O-N 3.12Å; L219-C221 VanDerWaalsContact O-N 3.14Å |
| 220 | T | 47.3 | Very low | 49.9 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | | | trans | -48.3 | 116.2 | 168.2 | 51 | 0 | 0 | 0 | 0 | 109 | E218 D222 | E218-T220 PolarHBondContact O-N 3.29Å; E218-T220 VanDerWaalsContact O-N 3.16Å; T220-D222 PolarHBondContact O-N 2.76Å |
| 221 | C | 49.2 | Very low | 49.7 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | | | trans | -82.9 | 68.4 | 174.4 | 48.2 | 0 | 0 | 0 | 0 | 109.4 | L219 S223 | L219-C221 PolarHBondContact O-N 3.12Å; L219-C221 VanDerWaalsContact O-N 3.14Å; C221-S223 PolarHBondContact O-N 3.31Å |
| 222 | D | 47.4 | Very low | 50.2 | Low | 138 Ų | 138 | 124.9 Ų | 124.9 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | trans | -75.7 | 80.2 | 169.7 | -60.4 | -26.8 | 0 | 0 | 0 | 108 | T220 S224 | T220-D222 PolarHBondContact O-N 2.76Å; D222-S224 PolarHBondContact O-N 3.06Å; D222-S224 VanDerWaalsContact O-N 3.15Å |
| 223 | S | 43.5 | Very low | 50.3 | Low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | -59.5 | 111.1 | 174.5 | -63 | 0 | 0 | 0 | 0 | 109.4 | C221 | C221-S223 PolarHBondContact O-N 3.31Š|
| 224 | S | 49.6 | Very low | 50 | Low | 120 Ų | 120 | 127.3 Ų | 127.3 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | -106.9 | 94.6 | 157.9 | -70.3 | 0 | 0 | 0 | 0 | 108.2 | D222 | D222-S224 PolarHBondContact O-N 3.06Å; D222-S224 VanDerWaalsContact O-N 3.15Å |
| 225 | T | 45.4 | Very low | 49.5 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -124.9 | 93.4 | 156.6 | -36.3 | 0 | 0 | 0 | 0 | 107 | | |
| 226 | S | 47.6 | Very low | 49.3 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | -76.5 | 115.3 | 163.1 | -172.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 227 | S | 47.8 | Very low | 49.1 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | -146.7 | 106.1 | 158.3 | -164 | 0 | 0 | 0 | 0 | 108.5 | | |
| 228 | S | 53.4 | Low | 49.1 | Very low | 91 Ų | 91 | 126.2 Ų | 126.2 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | | | trans | -51.6 | 136.2 | 158.7 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 229 | D | 49.1 | Very low | 48.3 | Very low | 153 Ų | 153 | 124.3 Ų | 124.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -163.3 | 138.6 | 142.3 | -87.3 | -43.5 | 0 | 0 | 0 | 109.5 | | |
| 230 | D | 56.8 | Low | 48.3 | Very low | 137 Ų | 137 | 124.7 Ų | 124.7 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | trans | -78.7 | 178.7 | -167.8 | -63 | -87.3 | 0 | 0 | 0 | 114.5 | | |
| 231 | D | 49.6 | Very low | 48.1 | Very low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | 85.6 | 73.4 | 162.9 | -79.8 | -60.9 | 0 | 0 | 0 | 119 | | |
| 232 | D | 59.6 | Low | 48.2 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | | | trans | -92 | 100.5 | 151 | -85 | -47.2 | 0 | 0 | 0 | 110.7 | | |
| 233 | T | 53.1 | Low | 48 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | -62.9 | 151 | 164.4 | 52.2 | 0 | 0 | 0 | 0 | 112 | | |
| 234 | S | 47.6 | Very low | 48.4 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | 88.6 | 92.8 | 149.2 | -170.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 235 | G | 41.7 | Very low | 48.9 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | | 95.5 | 120.2 | 112.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 236 | G | 41.4 | Very low | 48.6 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | | | trans | 157.6 | 72.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 237 | S | 42.3 | Very low | 48.6 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | trans | -34.5 | 146.8 | 166.3 | -48.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 238 | K | 50.2 | Low | 49.1 | Very low | 184 Ų | 184 | 130.8 Ų | 130.8 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | 76.1 | 109.7 | 141.8 | 64.9 | 172.3 | 175.9 | -177.6 | 0 | 120.9 | | |
| 239 | T | 42.9 | Very low | 49.3 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | | | | 57.2 | 113.1 | 129.7 | 60 | 0 | 0 | 0 | 0 | 118.8 | | |
| 240 | I | 49 | Very low | 49.5 | Very low | 166 Ų | 166 | 132 Ų | 132 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | | -161.7 | 137.6 | 119.2 | -85.3 | 137.8 | 0 | 0 | 0 | 108.4 | | |
| 241 | K | 42.9 | Very low | 49.5 | Very low | 198 Ų | 198 | 130.7 Ų | 130.7 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | trans | -100.8 | 122.3 | -175.6 | 173.1 | -170 | -179.2 | -175 | 0 | 108.4 | | |
| 242 | T | 52 | Low | 49.5 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | | | trans | -173.9 | 96.6 | 162.1 | 25.5 | 0 | 0 | 0 | 0 | 105.3 | | |
| 243 | D | 43.3 | Very low | 49.1 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | | 60.8 | 85.7 | 71.2 | -156.9 | 30.9 | 0 | 0 | 0 | 113.4 | | |
| 244 | I | 51.9 | Low | 48.8 | Very low | 166 Ų | 166 | 131 Ų | 131 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | trans | -148.1 | 114.3 | 146.7 | -52.8 | -179.1 | 0 | 0 | 0 | 107.4 | | |
| 245 | P | 58.8 | Low | 49.1 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | | | trans | -94.3 | 161.2 | 158.7 | 35.5 | -27.7 | 0 | 0 | 0 | 110.4 | | |
| 246 | D | 39.6 | Very low | 49.9 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | trans | 118.7 | 118.5 | 147.4 | -154.9 | 27.2 | 0 | 0 | 0 | 116.7 | | |
| 247 | G | 48.2 | Very low | 50.6 | Low | 65 Ų | 65 | 137.2 Ų | 137.2 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | | | trans | 168.9 | 93.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 248 | P | 57.1 | Low | 51 | Low | 105 Ų | 105 | 134.9 Ų | 134.9 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | trans | -74.6 | 150.7 | -173.2 | 28 | -33 | 0 | 0 | 0 | 113.1 | V250 | P248-V250 PolarHBondContact O-N 3.42Š|
| 249 | P | 58.7 | Low | 51 | Low | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | | | trans | -69.3 | 126.8 | -179.7 | 28.2 | -33.6 | 0 | 0 | 0 | 111.1 | V251 | P249-V251 PolarHBondContact O-N 2.72Å; P249-V251 VanDerWaalsContact O-N 3.14Å |
| 250 | V | 53.4 | Low | 51.5 | Low | 148 Ų | 148 | 134 Ų | 134 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | | | trans | -70.4 | 110 | 171.8 | 173.8 | 0 | 0 | 0 | 0 | 108.7 | P248 | P248-V250 PolarHBondContact O-N 3.42Š|
| 251 | V | 55.3 | Low | 51.7 | Low | 108 Ų | 108 | 131.4 Ų | 131.4 | 66% | 0.655 | 77% | 0.767 | S | S | * | * | | | trans | -54.5 | 126.9 | 172.9 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | P249 H253 | P249-V251 PolarHBondContact O-N 2.72Å; P249-V251 VanDerWaalsContact O-N 3.14Å; V251-H253 PolarHBondContact O-N 2.65Å |
| 252 | G | 50.1 | Low | 51.9 | Low | 61 Ų | 61 | 128.6 Ų | 128.6 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | | | trans | -69 | 120.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 253 | H | 51.9 | Low | 51.9 | Low | 179 Ų | 179 | 131.2 Ų | 131.2 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | | | trans | -89.7 | 115.1 | 165.2 | -83.8 | -75.9 | 0 | 0 | 0 | 109.3 | V251 | V251-H253 PolarHBondContact O-N 2.65Š|
| 254 | Y | 46 | Very low | 51.9 | Low | 208 Ų | 208 | 132.6 Ų | 132.6 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | | | trans | -60.3 | 129.2 | 165.6 | -67 | -97.9 | 0 | 0 | 0 | 109.9 | | |
| 255 | D | 54.7 | Low | 51.7 | Low | 150 Ų | 150 | 128.9 Ų | 128.9 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | | | trans | -104.9 | 108.4 | 151 | -159.8 | -10.6 | 0 | 0 | 0 | 107.7 | | |
| 256 | I | 58 | Low | 51 | Low | 146 Ų | 146 | 132.4 Ų | 132.4 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | trans | -102.4 | 99.5 | 175.7 | -30.4 | 168.1 | 0 | 0 | 0 | 104.4 | | |
| 257 | S | 56.8 | Low | 51 | Low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | -120 | 106 | 160.2 | -73.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 258 | G | 49.9 | Very low | 51 | Low | 58 Ų | 58 | 133.3 Ų | 133.3 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | | | trans | -77.8 | 154.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 259 | T | 50.8 | Low | 50.2 | Low | 141 Ų | 141 | 136.3 Ų | 136.3 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | | | trans | 54 | 105.5 | 133.2 | 65.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 260 | D | 53.4 | Low | 49.5 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | | -139.9 | 115.6 | 112.2 | 72.9 | -30.6 | 0 | 0 | 0 | 112 | | |
| 261 | S | 53.8 | Low | 48.7 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | -74.9 | 121.6 | 165.5 | 162 | 0 | 0 | 0 | 0 | 107.8 | | |
| 262 | N | 46 | Very low | 48.1 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | trans | -137.3 | 85.8 | 158.9 | -127.6 | -40.9 | 0 | 0 | 0 | 109.7 | | |
| 263 | Q | 51.8 | Low | 47.5 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | -90.7 | 90.7 | 166.3 | -174.5 | 166.1 | 29.8 | 0 | 0 | 107.5 | S265 | Q263-S265 PolarHBondContact O-N 3.14Š|
| 264 | E | 44.5 | Very low | 47 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | -89.8 | 101 | 168.3 | -161.5 | 165.9 | 96.1 | 0 | 0 | 108.6 | | |
| 265 | S | 47.3 | Very low | 46.7 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | | | trans | -75.4 | 153.6 | 164.9 | 47.4 | 0 | 0 | 0 | 0 | 111.3 | Q263 | Q263-S265 PolarHBondContact O-N 3.14Š|
| 266 | M | 43.1 | Very low | 46.1 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | trans | 91.2 | 136.6 | 172.3 | 92 | -156.3 | 165.5 | 0 | 0 | 114.4 | | |
| 267 | S | 40.2 | Very low | 45.4 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | | | cis | -158.9 | 148.8 | 18.4 | 46.7 | 0 | 0 | 0 | 0 | 109.8 | E269 | S267-E269 PolarHBondContact O-N 3.19Š|
| 268 | V | 47.4 | Very low | 44.3 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | | | trans | -69.4 | 106.8 | 169.3 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 269 | E | 40.2 | Very low | 43.7 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | | | trans | -115 | 128.7 | 172.8 | -166 | 155.4 | -164 | 0 | 0 | 111.6 | S267 V271 | S267-E269 PolarHBondContact O-N 3.19Å; E269-V271 PolarHBondContact O-N 2.88Å |
| 270 | T | 44.9 | Very low | 43.2 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | | | trans | -61.5 | 112.3 | -170.2 | -51.3 | 0 | 0 | 0 | 0 | 112 | R272 | T270-R272 PolarHBondContact O-N 3.01Å; T270-R272 VanDerWaalsContact O-N 3.1Å |
| 271 | V | 37.3 | Very low | 42.5 | Very low | 139 Ų | 139 | 153 Ų | 153 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | | | trans | -72 | 103.4 | 172.6 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | E269 | E269-V271 PolarHBondContact O-N 2.88Š|
| 272 | R | 41.8 | Very low | 41.5 | Very low | 218 Ų | 218 | 154 Ų | 154 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | | | trans | -78.7 | 139.4 | 161 | -71 | -176.6 | 171.8 | -173.4 | -0.8 | 109.3 | T270 T274 | T270-R272 PolarHBondContact O-N 3.01Å; T270-R272 VanDerWaalsContact O-N 3.1Å; R272-T274 PolarHBondContact O-N 3.21Å |
| 273 | P | 38.8 | Very low | 41.2 | Very low | 124 Ų | 124 | 156.5 Ų | 156.5 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | | | trans | -78.4 | 114.8 | 175.1 | 3.4 | 12.5 | 0 | 0 | 0 | 110.2 | | |
| 274 | T | 39.4 | Very low | 40.6 | Very low | 128 Ų | 128 | 159.6 Ų | 159.6 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -79.6 | 116.5 | 166.2 | 35.2 | 0 | 0 | 0 | 0 | 109.8 | R272 I276 | R272-T274 PolarHBondContact O-N 3.21Å; T274-I276 PolarHBondContact O-N 3.48Å |
| 275 | V | 41.5 | Very low | 40.2 | Very low | 132 Ų | 132 | 154.4 Ų | 154.4 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | | | trans | -70.4 | 107.1 | 169.2 | 170.6 | 0 | 0 | 0 | 0 | 108.3 | R277 | V275-R277 HydrophobicContact CG1-CG 4.16Å; V275-R277 PolarHBondContact O-N 3.32Å |
| 276 | I | 41.9 | Very low | 39.7 | Very low | 155 Ų | 155 | 159 Ų | 159 | 80% | 0.795 | 81% | 0.812 | S | S | * | * | | | trans | -79.3 | 103.6 | 169.8 | -60.3 | 174.7 | 0 | 0 | 0 | 107.7 | T274 | T274-I276 PolarHBondContact O-N 3.48Š|
| 277 | R | 42.4 | Very low | 39.2 | Very low | 225 Ų | 225 | 156.5 Ų | 156.5 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | | | trans | -83.9 | 117.9 | 162.8 | -66.5 | -171.2 | 104.1 | -150.9 | 6.9 | 108 | V275 E279 | V275-R277 HydrophobicContact CG1-CG 4.16Å; V275-R277 PolarHBondContact O-N 3.32Å; R277-E279 PolarHBondContact O-N 3.17Å |
| 278 | H | 34.3 | Very low | 39.4 | Very low | 157 Ų | 157 | 159.3 Ų | 159.3 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -77.9 | 113.8 | 171.1 | -176 | -88.4 | 0 | 0 | 0 | 109.5 | | |
| 279 | E | 36.8 | Very low | 38.8 | Very low | 179 Ų | 179 | 156.2 Ų | 156.2 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | -73 | 127.1 | 172.8 | -62 | -166.2 | 137.3 | 0 | 0 | 110.8 | R277 | R277-E279 PolarHBondContact O-N 3.17Š|
| 280 | L | 40.6 | Very low | 38.7 | Very low | 155 Ų | 155 | 152.8 Ų | 152.8 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -108.3 | 127.3 | 161.9 | -77.2 | 172.9 | 0 | 0 | 0 | 109.3 | | |
| 281 | K | 38.4 | Very low | 38.5 | Very low | 197 Ų | 197 | 152.8 Ų | 152.8 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | | | trans | -62.6 | 124 | -175.3 | -78.9 | 146.8 | 169.1 | 146.1 | 0 | 112.8 | | |
| 282 | T | 32.2 | Very low | 38.7 | Very low | 132 Ų | 132 | 151.9 Ų | 151.9 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | 37.6 | 111.1 | 137 | 67.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 283 | H | 41.1 | Very low | 38.3 | Very low | 190 Ų | 190 | 145 Ų | 145 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | | | trans | -134.5 | 144.7 | 130.6 | 68.1 | -75 | 0 | 0 | 0 | 109.9 | | |
| 284 | R | 37.8 | Very low | 38 | Very low | 247 Ų | 247 | 145.1 Ų | 145.1 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | | | trans | -81.2 | 140.5 | -165.7 | 169.8 | -168.6 | -72 | -108.4 | 0.5 | 111.8 | | |
| 285 | G | 36.7 | Very low | 37.9 | Very low | 61 Ų | 61 | 147.1 Ų | 147.1 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | | | trans | 153 | 96.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 286 | Q | 37.5 | Very low | 37.5 | Very low | 187 Ų | 187 | 151.6 Ų | 151.6 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | | 53.9 | 124.5 | 100.9 | -68.1 | -149.4 | -4.7 | 0 | 0 | 112.1 | | |
| 287 | D | 32.2 | Very low | 37.2 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 65% | 0.647 | 80% | 0.8 | S | S | * | * | | | cis | -169.7 | 161.6 | 11.5 | -156.5 | -2.7 | 0 | 0 | 0 | 108.1 | | |
| 288 | M | 43.7 | Very low | 36.9 | Very low | 153 Ų | 153 | 146 Ų | 146 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | | | trans | 69.3 | 114.9 | 158.1 | -58.4 | -50.9 | -173.3 | 0 | 0 | 123.7 | | |
| 289 | A | 35.3 | Very low | 36.8 | Very low | 90 Ų | 90 | 143.9 Ų | 143.9 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | | | trans | 73.5 | 99.3 | 130.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 290 | A | 37.9 | Very low | 36.7 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | | 86 | 159.3 | 80.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 291 | P | 42.2 | Very low | 36.4 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | | -120 | 149.9 | -88.2 | 22.1 | -1.8 | 0 | 0 | 0 | 113 | G293 | P291-G293 PolarHBondContact O-N 3.45Š|
| 292 | S | 40.3 | Very low | 36.1 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | -69.1 | 112.4 | 164.3 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 293 | G | 34.4 | Very low | 36 | Very low | 74 Ų | 74 | 133.8 Ų | 133.8 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | -111.6 | 92.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P291 | P291-G293 PolarHBondContact O-N 3.45Š|
| 294 | C | 32.3 | Very low | 35.4 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -88.1 | 107.3 | 168.3 | 44.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 295 | I | 36.3 | Very low | 35.1 | Very low | 169 Ų | 169 | 124.7 Ų | 124.7 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | | | trans | -96 | 141.2 | 168.2 | -65.7 | -175.8 | 0 | 0 | 0 | 109.8 | | |
| 296 | R | 34.3 | Very low | 35 | Very low | 227 Ų | 227 | 126.7 Ų | 126.7 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -66.1 | 144.4 | -174.7 | 178.9 | -177.3 | -65.7 | -118.1 | -0.4 | 113.8 | | |
| 297 | A | 34.3 | Very low | 34.6 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | trans | 0.2 | 138.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 298 | L | 37.2 | Very low | 34.5 | Very low | 179 Ų | 179 | 123.6 Ų | 123.6 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | | | trans | -152.6 | 144.5 | 130.6 | -76.4 | -174.3 | 0 | 0 | 0 | 110.6 | | |
| 299 | S | 31 | Very low | 33.8 | Very low | 113 Ų | 113 | 120 Ų | 120 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -81.5 | 152.6 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 300 | S | 34.6 | Very low | 33.5 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | | 137.3 | 120.6 | 129.7 | -70.1 | 0 | 0 | 0 | 0 | 117 | | |
| 301 | I | 34.7 | Very low | 33.3 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | | 72 | 111.7 | 125.1 | -55 | 168.2 | 0 | 0 | 0 | 121.2 | | |
| 302 | S | 33 | Very low | 32.7 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | 77.8 | 144.2 | 135.4 | 68.6 | 0 | 0 | 0 | 0 | 125.2 | | |
| 303 | A | 29 | Very low | 32.5 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | 74.2 | 148.9 | 151.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 304 | S | 29.6 | Very low | 32.3 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | | | cis | 178.5 | 153.7 | -20.6 | 57.7 | 0 | 0 | 0 | 0 | 105.1 | | |
| 305 | I | 30 | Very low | 32.5 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | 76.1 | 111.2 | 158.4 | -51 | 157.9 | 0 | 0 | 0 | 117.4 | | |
| 306 | S | 35.1 | Very low | 32.3 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | | 175.1 | 126.3 | 101.3 | 69.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 307 | N | 29.8 | Very low | 32.1 | Very low | 163 Ų | 163 | 132 Ų | 132 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | trans | 22.9 | 134.8 | 139.4 | -62 | -14.9 | 0 | 0 | 0 | 122.4 | | |
| 308 | G | 29.1 | Very low | 31.9 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | | 136.2 | 118.8 | 119.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 309 | G | 29.7 | Very low | 31.4 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 85.7 | 106 | 148.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 310 | R | 29.4 | Very low | 31.4 | Very low | 236 Ų | 236 | 134.5 Ų | 134.5 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | | | | 54.9 | 101.2 | 68.4 | -172 | -178 | 165 | -174.2 | -4.6 | 115 | | |
| 311 | V | 33.4 | Very low | 31.4 | Very low | 134 Ų | 134 | 135 Ų | 135 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -176 | 106.5 | 131.2 | -102 | 0 | 0 | 0 | 0 | 107.3 | | |
| 312 | E | 29.7 | Very low | 31.5 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | | 42.4 | 103.9 | 87.9 | -79.2 | -62.8 | 137.3 | 0 | 0 | 114.4 | | |
| 313 | A | 35.8 | Very low | 31.6 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -148.8 | 87.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 314 | E | 29.1 | Very low | 32.2 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | trans | -63.3 | 129.7 | 159.5 | -70.4 | -156.3 | 143.4 | 0 | 0 | 110 | | |
| 315 | L | 38.3 | Very low | 32.6 | Very low | 165 Ų | 165 | 144 Ų | 144 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -139.7 | 98.1 | 156.4 | -122.3 | 163.4 | 0 | 0 | 0 | 109.5 | | |
| 316 | L | 30.4 | Very low | 33.2 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | | | trans | -42.5 | 137.2 | 164.3 | -143.8 | 145.1 | 0 | 0 | 0 | 112 | | |
| 317 | H | 30.5 | Very low | 33.5 | Very low | 177 Ų | 177 | 147.4 Ų | 147.4 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | | | trans | -173.8 | 91 | 142.3 | -99.6 | -76.3 | 0 | 0 | 0 | 112.5 | | |
| 318 | K | 31.3 | Very low | 34.2 | Very low | 161 Ų | 161 | 147 Ų | 147 | 70% | 0.7 | 80% | 0.797 | S | S | * | * | | | | 42.3 | 114.3 | 121.8 | -148.9 | 162.4 | 177.3 | 179.9 | 0 | 121 | | |
| 319 | E | 25.6 | Very low | 34.6 | Very low | 158 Ų | 158 | 149.7 Ų | 149.7 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | | | | 68.2 | 115.1 | 127 | -159.8 | -179.8 | 170 | 0 | 0 | 120.9 | | |
| 320 | S | 30.5 | Very low | 35.3 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | | 169.4 | 142.3 | 96.9 | 72.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 321 | S | 36 | Very low | 35.5 | Very low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | 63.3 | 126.1 | 139.9 | -159.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 322 | Q | 37.3 | Very low | 35.7 | Very low | 188 Ų | 188 | 144.4 Ų | 144.4 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -52.5 | 144.8 | 165.8 | -62.5 | 162.6 | -42.7 | 0 | 0 | 114.2 | | |
| 323 | H | 33.8 | Very low | 36.5 | Very low | 178 Ų | 178 | 144 Ų | 144 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -147.7 | 123.1 | 148.6 | 148 | -91.4 | 0 | 0 | 0 | 110.7 | | |
| 324 | K | 42.7 | Very low | 36.5 | Very low | 202 Ų | 202 | 144.7 Ų | 144.7 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | | | trans | -72.6 | 132.2 | 178.8 | 174.2 | -172.2 | -178.6 | -160.8 | 0 | 110.8 | | |
| 325 | G | 37.8 | Very low | 37.3 | Very low | 65 Ų | 65 | 145.4 Ų | 145.4 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | | | trans | -175.7 | 84.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 326 | Q | 42.6 | Very low | 37.5 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -88.1 | 116.6 | 173.3 | -159.1 | 170.7 | 33.4 | 0 | 0 | 107.8 | | |
| 327 | I | 40.4 | Very low | 38.1 | Very low | 143 Ų | 143 | 146 Ų | 146 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | | | trans | -117.3 | 109.1 | 174 | 50.6 | 165.7 | 0 | 0 | 0 | 110 | | |
| 328 | N | 45.4 | Very low | 38.9 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | trans | -84.5 | 118 | 166.6 | -68.7 | -47.4 | 0 | 0 | 0 | 108 | | |
| 329 | I | 37.8 | Very low | 39.6 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 70% | 0.697 | 81% | 0.808 | S | S | * | * | | | trans | -103.4 | 98.2 | 173.5 | -54.2 | -177.4 | 0 | 0 | 0 | 108 | | |
| 330 | A | 43.6 | Very low | 40.6 | Very low | 103 Ų | 103 | 140 Ų | 140 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 122.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 331 | S | 34.8 | Very low | 41.1 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 118.4 | 177.7 | -63.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 332 | S | 36.6 | Very low | 40.9 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 137.5 | 172.5 | -165.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 333 | D | 45.8 | Very low | 41 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -83 | 160.7 | 168.2 | 71.1 | 20.9 | 0 | 0 | 0 | 111.2 | | |
| 334 | S | 36.2 | Very low | 41.3 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -132.1 | 107 | -173.5 | 171.7 | 0 | 0 | 0 | 0 | 107 | | |
| 335 | E | 46.1 | Very low | 41.1 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 145.5 | 169.8 | -161.6 | 176.9 | 113.2 | 0 | 0 | 109.9 | | |
| 336 | V | 42.5 | Very low | 41.4 | Very low | 118 Ų | 118 | 144 Ų | 144 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 136.7 | -173.2 | -68.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 337 | E | 42.5 | Very low | 40.9 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 129.8 | 172 | -72.8 | 179.9 | 140.3 | 0 | 0 | 111.3 | | |
| 338 | I | 48.4 | Very low | 41.1 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 121 | 164.8 | -56.2 | 171 | 0 | 0 | 0 | 107.5 | | |
| 339 | V | 45.6 | Very low | 40.5 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | | | trans | -80.9 | 114.1 | 175.4 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 340 | G | 45.5 | Very low | 40.5 | Very low | 60 Ų | 60 | 141.4 Ų | 141.4 | 62% | 0.619 | 81% | 0.806 | S | S | * | * | | | trans | -156.1 | 132.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 341 | V | 41.3 | Very low | 40.1 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | | | | -171.5 | 144.1 | 69.3 | 164.5 | 0 | 0 | 0 | 0 | 107.7 | E343 | V341-E343 HydrophobicContact CG1-CB 3.82Å; V341-E343 VanDerWaalsContact CG1-N 3.33Å |
| 342 | Q | 32.8 | Very low | 40.7 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -117.2 | 105.7 | 147.1 | -171.9 | 172.2 | 65.8 | 0 | 0 | 107.5 | | |
| 343 | E | 39.8 | Very low | 40.8 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 63% | 0.631 | 81% | 0.809 | S | S | * | * | | | trans | -84.4 | 141.2 | 176.8 | 172.9 | -173.9 | 165.5 | 0 | 0 | 108.6 | V341 | V341-E343 HydrophobicContact CG1-CB 3.82Å; V341-E343 VanDerWaalsContact CG1-N 3.33Å |
| 344 | N | 38.7 | Very low | 40.6 | Very low | 164 Ų | 164 | 143 Ų | 143 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -134 | 107.4 | 146.1 | -88.6 | -15.4 | 0 | 0 | 0 | 109.8 | | |
| 345 | A | 38.7 | Very low | 40.5 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 84.3 | 105.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 346 | R | 43.9 | Very low | 40.2 | Very low | 228 Ų | 228 | 138 Ų | 138 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | 99.2 | 124.3 | 137.6 | -84.2 | -176.5 | 174.5 | -178.6 | -0.7 | 118.1 | | |
| 347 | S | 31.8 | Very low | 40 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | 95.8 | 98 | 150.6 | 60.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 348 | R | 46 | Very low | 39.7 | Very low | 241 Ų | 241 | 139.7 Ų | 139.7 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | 40.8 | 109.4 | 134.5 | -57.6 | -177.6 | -170.4 | -117.2 | 2.5 | 118 | | |
| 349 | C | 33.2 | Very low | 39.3 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | | | | 175.7 | 157.9 | 117.8 | -94.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 350 | A | 36.8 | Very low | 38.8 | Very low | 75 Ų | 75 | 138.6 Ų | 138.6 | 62% | 0.62 | 80% | 0.802 | S | S | * | * | | | trans | -90.4 | 146.6 | -156 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 351 | H | 35.1 | Very low | 38.2 | Very low | 182 Ų | 182 | 141 Ų | 141 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | | 171.4 | 144.1 | 110.5 | -75.8 | -21.8 | 0 | 0 | 0 | 110.8 | | |
| 352 | P | 47.5 | Very low | 38 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -99.2 | 125.1 | -168 | 35.6 | -26.2 | 0 | 0 | 0 | 112.1 | | |
| 353 | C | 38.7 | Very low | 38 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 92% | 0.919 | 80% | 0.801 | S | S | * | * | | | trans | -110.7 | 112.2 | 147.1 | -62.2 | 0 | 0 | 0 | 0 | 103.7 | | |
| 354 | G | 40.7 | Very low | 38 | Very low | 80 Ų | 80 | 142.8 Ų | 142.8 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | | 117.8 | 119.8 | 72.3 | 0 | 0 | 0 | 0 | 0 | 105 | | |
| 355 | G | 34.3 | Very low | 37.6 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | 167.8 | 103.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 356 | V | 40.2 | Very low | 37.4 | Very low | 126 Ų | 126 | 145 Ų | 145 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | | | trans | 69.8 | 104.1 | 145.7 | -165.5 | 0 | 0 | 0 | 0 | 117 | K358 | V356-K358 HydrophobicContact CG1-CG 4.5Š|
| 357 | I | 38.4 | Very low | 36.8 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | | | trans | -134.3 | 111.7 | 135.8 | -46.8 | 177.4 | 0 | 0 | 0 | 111 | | |
| 358 | K | 36.1 | Very low | 37 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | | | trans | -18.2 | 129.6 | 155.1 | -64.3 | 165 | 130.8 | 150.8 | 0 | 115.7 | V356 L360 | V356-K358 HydrophobicContact CG1-CG 4.5Å; K358-L360 PolarHBondContact O-N 3.1Å |
| 359 | S | 40.7 | Very low | 36.6 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -52.3 | 127.2 | 163.6 | -50.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 360 | L | 33.7 | Very low | 36.8 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -127.8 | 127.1 | 153.3 | -71.5 | 176.1 | 0 | 0 | 0 | 109 | K358 | K358-L360 PolarHBondContact O-N 3.1Š|
| 361 | S | 34.7 | Very low | 36.9 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | -56.5 | 166.7 | 174.1 | 46.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 362 | S | 36.7 | Very low | 36.9 | Very low | 82 Ų | 82 | 143.2 Ų | 143.2 | 57% | 0.573 | 81% | 0.81 | S | S | * | * | | | trans | 99.5 | 101.6 | 154 | -172.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 363 | W | 32.4 | Very low | 36.2 | Very low | 244 Ų | 244 | 143 Ų | 143 | 92% | 0.924 | 81% | 0.811 | S | S | * | * | | | | -158.9 | 124.4 | 91.5 | -89.2 | -61.1 | 0 | 0 | 0 | 111.2 | | |
| 364 | K | 38.7 | Very low | 36.3 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | | | trans | -73.6 | 128.5 | 155.9 | 163.3 | -173 | 166 | -160.6 | 0 | 106.1 | | |
| 365 | D | 31 | Very low | 36.1 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | | | trans | -161.8 | 133.8 | 136.8 | -96 | -34.7 | 0 | 0 | 0 | 111.2 | | |
| 366 | N | 35 | Very low | 36.1 | Very low | 145 Ų | 145 | 150.3 Ų | 150.3 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | | | trans | -88.5 | 137.6 | 174.6 | -49.1 | -79.1 | 0 | 0 | 0 | 107.5 | | |
| 367 | S | 31.4 | Very low | 35.8 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | -162.8 | 126.8 | 140.3 | -162.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 368 | V | 36.6 | Very low | 35.8 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | | | trans | -41.9 | 132.8 | 150.5 | 136 | 0 | 0 | 0 | 0 | 109.9 | | |
| 369 | E | 37.5 | Very low | 35.9 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -171.1 | 108.7 | 134 | -76.7 | -133.2 | 149.2 | 0 | 0 | 110.5 | | |
| 370 | Q | 36 | Very low | 35.8 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | | | trans | 4 | 110.6 | 141.3 | -170.5 | 175.9 | 30.5 | 0 | 0 | 118.8 | | |
| 371 | L | 38.6 | Very low | 36.1 | Very low | 173 Ų | 173 | 153.1 Ų | 153.1 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | -149.7 | 124.4 | 139.9 | -75.7 | -175.9 | 0 | 0 | 0 | 110.8 | | |
| 372 | N | 36.9 | Very low | 36.2 | Very low | 163 Ų | 163 | 155.6 Ų | 155.6 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | -55.8 | 132.5 | 169.8 | -87.4 | -42.6 | 0 | 0 | 0 | 111.5 | | |
| 373 | S | 31.7 | Very low | 36.3 | Very low | 116 Ų | 116 | 157.9 Ų | 157.9 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | -158.7 | 107.3 | 147.8 | -87.5 | 0 | 0 | 0 | 0 | 111.5 | N375 | S373-N375 PolarHBondContact O-N 2.76Š|
| 374 | T | 40.8 | Very low | 36.6 | Very low | 127 Ų | 127 | 150.5 Ų | 150.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -39.2 | 116.1 | 162.5 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 375 | N | 36.1 | Very low | 37.2 | Very low | 159 Ų | 159 | 147 Ų | 147 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | | | trans | -141.3 | 80.7 | 149.1 | -94.4 | -64.6 | 0 | 0 | 0 | 108.1 | S373 S377 | S373-N375 PolarHBondContact O-N 2.76Å; N375-S377 PolarHBondContact O-N 3.42Å |
| 376 | Q | 35.4 | Very low | 37.6 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | | | trans | -63.6 | 111.7 | 159.3 | -82.6 | -159 | 15.9 | 0 | 0 | 108.4 | Q378 | Q376-Q378 PolarHBondContact O-N 3.36Š|
| 377 | S | 33.5 | Very low | 38.4 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -77.2 | 95.8 | 158.9 | 53.5 | 0 | 0 | 0 | 0 | 107.8 | N375 L379 | N375-S377 PolarHBondContact O-N 3.42Å; S377-L379 PolarHBondContact O-N 2.97Å |
| 378 | Q | 38.5 | Very low | 39 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | | | trans | -60.4 | 131.3 | 179.2 | -71.9 | -167 | -21 | 0 | 0 | 111.5 | Q376 | Q376-Q378 PolarHBondContact O-N 3.36Š|
| 379 | L | 38.3 | Very low | 39.3 | Very low | 168 Ų | 168 | 153.1 Ų | 153.1 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | | | trans | -51.8 | 127.3 | 170.6 | -63.5 | 147.6 | 0 | 0 | 0 | 109.8 | S377 T381 | S377-L379 PolarHBondContact O-N 2.97Å; L379-T381 PolarHBondContact O-N 3.28Å |
| 380 | W | 37.5 | Very low | 39.7 | Very low | 255 Ų | 255 | 150.5 Ų | 150.5 | 97% | 0.966 | 81% | 0.806 | S | S | * | * | | | trans | -62.3 | 105.2 | 169 | -75.7 | -45.3 | 0 | 0 | 0 | 109.9 | | |
| 381 | T | 40 | Very low | 40.3 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | | | trans | 9.8 | 105.4 | 149.5 | 47.5 | 0 | 0 | 0 | 0 | 117 | L379 V383 | L379-T381 PolarHBondContact O-N 3.28Å; T381-V383 PolarHBondContact O-N 3.2Å |
| 382 | N | 37 | Very low | 41.1 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | trans | -56.8 | 109.3 | 152.5 | -165.3 | 3.2 | 0 | 0 | 0 | 109.3 | | |
| 383 | V | 38.8 | Very low | 42.1 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | | | trans | -93.1 | 106.6 | 167.5 | 179 | 0 | 0 | 0 | 0 | 107.6 | T381 | T381-V383 PolarHBondContact O-N 3.2Š|
| 384 | S | 40.2 | Very low | 43.5 | Very low | 89 Ų | 89 | 145 Ų | 145 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | | | trans | -48.7 | 136.7 | 167.6 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | H386 | S384-H386 PolarHBondContact O-N 3.3Š|
| 385 | A | 50 | Low | 44.5 | Very low | 97 Ų | 97 | 145.5 Ų | 145.5 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | -66.9 | 113.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 386 | H | 39.5 | Very low | 45.8 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | -99.9 | 134.7 | 163.8 | -114.6 | -79.2 | 0 | 0 | 0 | 109.6 | S384 N388 | S384-H386 PolarHBondContact O-N 3.3Å; H386-N388 PolarHBondContact O-N 3.18Å |
| 387 | P | 52.9 | Low | 47.1 | Very low | 115 Ų | 115 | 142 Ų | 142 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | trans | -89.7 | 97.9 | 177.7 | 33.9 | -26.8 | 0 | 0 | 0 | 108.6 | | |
| 388 | N | 42.9 | Very low | 48.3 | Very low | 134 Ų | 134 | 144 Ų | 144 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | trans | -150.8 | 70.3 | 164.1 | -151.5 | -5 | 0 | 0 | 0 | 110.3 | H386 | H386-N388 PolarHBondContact O-N 3.18Š|
| 389 | W | 42.6 | Very low | 49.1 | Very low | 253 Ų | 253 | 141.7 Ų | 141.7 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | | | trans | -93.7 | 97.6 | 164.3 | -73.3 | 82.9 | 0 | 0 | 0 | 106.7 | | |
| 390 | V | 47.2 | Very low | 49.9 | Very low | 123 Ų | 123 | 141 Ų | 141 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 124.2 | 163.7 | 171.1 | 0 | 0 | 0 | 0 | 107 | | |
| 391 | S | 47.4 | Very low | 50.7 | Low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 138.3 | 173 | -62.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 392 | P | 55.8 | Low | 51.7 | Low | 115 Ų | 115 | 138.9 Ų | 138.9 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 146.2 | 172.5 | 25.5 | -31.6 | 0 | 0 | 0 | 109.9 | E394 | P392-E394 PolarHBondContact O-N 3.31Š|
| 393 | P | 58.7 | Low | 52.6 | Low | 120 Ų | 120 | 137.2 Ų | 137.2 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 133.9 | 179 | 24.3 | -32.1 | 0 | 0 | 0 | 109.9 | V395 | P393-V395 PolarHBondContact O-N 3.24Š|
| 394 | E | 59.5 | Low | 53.4 | Low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | | | trans | -56.7 | 108.1 | 172.3 | -173.9 | 176.3 | 178.9 | 0 | 0 | 108.5 | P392 V396 | P392-E394 PolarHBondContact O-N 3.31Å; E394-V396 PolarHBondContact O-N 3.43Å; E394-V396 VanDerWaalsContact O-N 3.12Å |
| 395 | V | 62.5 | Low | 54.1 | Low | 138 Ų | 138 | 133.6 Ų | 133.6 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | | | trans | -69.6 | 105.6 | 169 | -92.5 | 0 | 0 | 0 | 0 | 107.1 | P393 D397 | P393-V395 PolarHBondContact O-N 3.24Å; V395-D397 PolarHBondContact O-N 3.14Å |
| 396 | V | 64.3 | Low | 54.1 | Low | 109 Ų | 109 | 136 Ų | 136 | 66% | 0.661 | 75% | 0.751 | S | S | * | * | | | trans | -65.5 | 111.3 | 169.4 | -179.6 | 0 | 0 | 0 | 0 | 107.3 | E394 L398 | E394-V396 PolarHBondContact O-N 3.43Å; E394-V396 VanDerWaalsContact O-N 3.12Å; V396-L398 HydrophobicContact CG1-CG 4.25Å; V396-L398 PolarHBondContact O-N 3.03Å; V396-L398 VanDerWaalsContact O-N 3.08Å |
| 397 | D | 62.2 | Low | 54.9 | Low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | -73.8 | 97.8 | 174.8 | -141.5 | -2.1 | 0 | 0 | 0 | 107.9 | V395 T399 | V395-D397 PolarHBondContact O-N 3.14Å; D397-T399 PolarHBondContact O-N 2.91Å; D397-T399 VanDerWaalsContact O-N 3.14Å |
| 398 | L | 57.5 | Low | 55.1 | Low | 158 Ų | 158 | 141 Ų | 141 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | | | trans | -77 | 16.5 | -176.6 | -84.1 | 155.2 | 0 | 0 | 0 | 113.4 | V396 L400 | V396-L398 HydrophobicContact CG1-CG 4.25Å; V396-L398 PolarHBondContact O-N 3.03Å; V396-L398 VanDerWaalsContact O-N 3.08Å; L398-L400 PolarHBondContact O-N 3.16Å; L398-L400 VanDerWaalsContact O-N 3.16Å |
| 399 | T | 56.7 | Low | 55.7 | Low | 115 Ų | 115 | 142.5 Ų | 142.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -86.6 | 38.9 | 174 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | D397 D401 | D397-T399 PolarHBondContact O-N 2.91Å; D397-T399 VanDerWaalsContact O-N 3.14Å; T399-D401 PolarHBondContact O-N 3.15Å; T399-D401 VanDerWaalsContact O-N 3.13Å |
| 400 | L | 55.3 | Low | 55.8 | Low | 152 Ų | 152 | 142.3 Ų | 142.3 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | | | trans | -75.6 | 99.9 | 162.5 | -76.1 | -180 | 0 | 0 | 0 | 107.8 | L398 E402 | L398-L400 PolarHBondContact O-N 3.16Å; L398-L400 VanDerWaalsContact O-N 3.16Å; L400-E402 PolarHBondContact O-N 3.15Å |
| 401 | D | 53.7 | Low | 56.2 | Low | 140 Ų | 140 | 143.3 Ų | 143.3 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | trans | -37 | 98.6 | 161.1 | -172.2 | 34.3 | 0 | 0 | 0 | 111.5 | T399 D403 | T399-D401 PolarHBondContact O-N 3.15Å; T399-D401 VanDerWaalsContact O-N 3.13Å; D401-D403 PolarHBondContact O-N 3.48Å |
| 402 | E | 60.7 | Low | 56.7 | Low | 187 Ų | 187 | 145.6 Ų | 145.6 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -81.8 | 40.6 | 170.9 | -70.2 | -169.2 | 105.2 | 0 | 0 | 111.3 | L400 | L400-E402 PolarHBondContact O-N 3.15Š|
| 403 | D | 56.7 | Low | 56.7 | Low | 127 Ų | 127 | 147.3 Ų | 147.3 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | | | trans | -112.9 | 66.9 | 179.6 | -155.3 | 24.3 | 0 | 0 | 0 | 112.9 | D401 | D401-D403 PolarHBondContact O-N 3.48Š|
| 404 | A | 55.8 | Low | 56.6 | Low | 103 Ų | 103 | 148.9 Ų | 148.9 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -167 | 76.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 405 | G | 53.8 | Low | 56.5 | Low | 39 Ų | 39 | 146.8 Ų | 146.8 | 40% | 0.402 | 78% | 0.783 | S | S | . | * | | | trans | 179.2 | 13.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | K407 | G405-K407 VanDerWaalsContact C-N 3.34Å; G405-K407 WeakPolarHBondContact O-CD 3.35Å; G405-K407 WeakPolarHBondContact O-CE 3.48Å; G405-K407 PolarHBondContact O-N 3.43Å; G405-K407 PolarHBondContact O-NZ 2.85Å |
| 406 | H | 49.9 | Very low | 56.1 | Low | 147 Ų | 147 | 147.4 Ų | 147.4 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | | | trans | -74.9 | 88.6 | 170.6 | -66.7 | -60.3 | 0 | 0 | 0 | 110.5 | Y408 | H406-Y408 HydrophobicContact CB-CD2 4.34Å; H406-Y408 HydrophobicContact CB-CE2 3.88Å; H406-Y408 PolarHBondContact O-N 3.14Å |
| 407 | K | 57.6 | Low | 55.5 | Low | 176 Ų | 176 | 150.1 Ų | 150.1 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | | | trans | -71 | 104.5 | 157.5 | 27.5 | -94.1 | 175.4 | -147.9 | 0 | 107.4 | G405 L409 | G405-K407 VanDerWaalsContact C-N 3.34Å; G405-K407 WeakPolarHBondContact O-CD 3.35Å; G405-K407 WeakPolarHBondContact O-CE 3.48Å; G405-K407 PolarHBondContact O-N 3.43Å; G405-K407 PolarHBondContact O-NZ 2.85Å; K407-L409 PolarHBondContact O-N 3.42Å |
| 408 | Y | 56.1 | Low | 55 | Low | 211 Ų | 211 | 151.5 Ų | 151.5 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | -76.6 | 113.1 | 162.6 | -70.3 | -85.4 | 0 | 0 | 0 | 108.1 | H406 | H406-Y408 HydrophobicContact CB-CD2 4.34Å; H406-Y408 HydrophobicContact CB-CE2 3.88Å; H406-Y408 PolarHBondContact O-N 3.14Å |
| 409 | L | 56.5 | Low | 54.7 | Low | 166 Ų | 166 | 151 Ų | 151 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | trans | -93.3 | 102.9 | 157.7 | -100.3 | 148.7 | 0 | 0 | 0 | 106.6 | K407 | K407-L409 PolarHBondContact O-N 3.42Š|
| 410 | L | 44.2 | Very low | 54.6 | Low | 249 Ų | 249 | 154.3 Ų | 154.3 | 100% | 1.304 | 80% | 0.8 | S | S | * | * | | | trans | -159.6 | 0 | 144.1 | -137.4 | 74.2 | 0 | 0 | 0 | 110.6 | | |