| 1 | M | 33.6 | Very low | 39.6 | Very low | 236 Ų | 236 | 136.8 Ų | 136.8 | 100% | 1.163 | 82% | 0.823 | S | S | * | * | | | | 0 | 114.8 | 0 | -96.3 | -65 | 170 | 0 | 0 | 107.3 | | |
| 2 | A | 39.6 | Very low | 39.5 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | | | trans | 57.5 | 166 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 3 | S | 41 | Very low | 39.4 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 75% | 0.748 | 83% | 0.833 | S | S | * | * | | | cis | -158.6 | 138.7 | -31.9 | -92.5 | 0 | 0 | 0 | 0 | 105.5 | | |
| 4 | A | 43.8 | Very low | 39.3 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | | | | 61.3 | 119.2 | 75.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 5 | G | 39.5 | Very low | 39.1 | Very low | 73 Ų | 73 | 141.1 Ų | 141.1 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | | | trans | 130.7 | 131.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 6 | A | 39.7 | Very low | 38.6 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | | | | 80.5 | 138 | 50.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 7 | E | 37.6 | Very low | 38.4 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 65% | 0.654 | 82% | 0.821 | S | S | * | * | | | cis | -164.4 | 145.4 | -4.6 | 173.3 | -179.2 | 156.2 | 0 | 0 | 111.8 | | |
| 8 | R | 40.8 | Very low | 38.1 | Very low | 221 Ų | 221 | 138.9 Ų | 138.9 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | | | trans | 56.9 | 169.4 | 157.5 | -72.3 | 174.8 | -170.9 | 159.1 | -9.4 | 123.4 | | |
| 9 | R | 41.8 | Very low | 37.8 | Very low | 231 Ų | 231 | 134.6 Ų | 134.6 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | -82.6 | 168.5 | -175.3 | -54.5 | 177.8 | 173.7 | -176.9 | -3.4 | 112.7 | | |
| 10 | P | 46.2 | Very low | 37.5 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | | -121.6 | 174.4 | 85.6 | 0.6 | 21 | 0 | 0 | 0 | 113 | | |
| 11 | G | 32.2 | Very low | 37.3 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | cis | 111.1 | 85.1 | 1.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 12 | V | 38.2 | Very low | 37.4 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | | | trans | -123.9 | 135.1 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 13 | Q | 37.8 | Very low | 37.2 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -144.1 | 125.5 | 171.1 | -74.5 | -177.5 | 89.5 | 0 | 0 | 109.1 | | |
| 14 | E | 38.9 | Very low | 36.7 | Very low | 188 Ų | 188 | 133.4 Ų | 133.4 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | -140.7 | 131.8 | 144.5 | -69.6 | -171.3 | 103.1 | 0 | 0 | 104.8 | | |
| 15 | A | 35.3 | Very low | 36.2 | Very low | 87 Ų | 87 | 138 Ų | 138 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | | | cis | 72.4 | 136 | 42.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 16 | T | 32.3 | Very low | 36 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | cis | -158 | -173 | 13.4 | -38.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 17 | V | 34.1 | Very low | 36.4 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | | | trans | 93.3 | 115.6 | 151.9 | 170.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 18 | V | 34.3 | Very low | 36 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | | | trans | 34.8 | 137 | 133.7 | -169.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 19 | G | 32.6 | Very low | 35.7 | Very low | 57 Ų | 57 | 135 Ų | 135 | 59% | 0.588 | 80% | 0.799 | S | S | * | * | | | cis | 122.8 | 148.8 | 8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 20 | Q | 31.6 | Very low | 35.5 | Very low | 205 Ų | 205 | 128 Ų | 128 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | | | trans | 70.8 | 145.3 | -169 | -49.9 | 179.2 | -7.7 | 0 | 0 | 114.9 | | |
| 21 | G | 32.5 | Very low | 35.1 | Very low | 65 Ų | 65 | 130.4 Ų | 130.4 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | | | cis | 157.8 | 142.4 | -15.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 22 | Q | 35.7 | Very low | 35.4 | Very low | 189 Ų | 189 | 132.4 Ų | 132.4 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | 69.2 | 157 | 169.8 | -46.5 | -175.1 | 12.8 | 0 | 0 | 114.6 | | |
| 23 | L | 35.5 | Very low | 35.4 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | | | cis | -128.9 | -174.6 | 9.7 | -144.9 | 67.5 | 0 | 0 | 0 | 107.4 | | |
| 24 | A | 31.3 | Very low | 35.3 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 59% | 0.587 | 78% | 0.776 | S | S | * | * | | | cis | -158 | 150.4 | 4.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 25 | E | 32.5 | Very low | 35 | Very low | 198 Ų | 198 | 125.2 Ų | 125.2 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | | | trans | 57.1 | 152.7 | 145.9 | -63.4 | -173.1 | 107 | 0 | 0 | 124.3 | | |
| 26 | D | 35.3 | Very low | 35.5 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -118.7 | -154 | -165.1 | -137.6 | -26.1 | 0 | 0 | 0 | 108.2 | | |
| 27 | P | 47.3 | Very low | 35.8 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | cis | -139.1 | 149.2 | 10.2 | 39.9 | -18.9 | 0 | 0 | 0 | 119.3 | | |
| 28 | G | 29.8 | Very low | 36 | Very low | 74 Ų | 74 | 126.4 Ų | 126.4 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | | | trans | 84.5 | 156.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 29 | S | 33.7 | Very low | 36.3 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | | | cis | -147.1 | 157 | 3.9 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 30 | A | 37.5 | Very low | 36.3 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | | | trans | -75.5 | 169 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 31 | Q | 39.8 | Very low | 36.7 | Very low | 178 Ų | 178 | 131.8 Ų | 131.8 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | cis | -130.1 | -154.9 | 12.8 | -63.8 | -179.5 | 13.8 | 0 | 0 | 110.3 | | |
| 32 | T | 36.4 | Very low | 36.7 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | | | cis | -158 | 164.7 | 16.3 | 23.8 | 0 | 0 | 0 | 0 | 112 | | |
| 33 | S | 39.5 | Very low | 37 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | | | trans | 54.1 | 118 | 150.9 | 62.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 34 | E | 35.3 | Very low | 37.3 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | | 34.8 | 143.4 | 126.7 | -64.8 | 179.8 | 93 | 0 | 0 | 121.6 | | |
| 35 | C | 32 | Very low | 37.8 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | | | cis | -157.9 | 155.5 | 2.6 | -123.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 36 | P | 47 | Very low | 38.2 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 145.2 | -179.1 | 32.8 | -34.3 | 0 | 0 | 0 | 113.6 | | |
| 37 | V | 37.2 | Very low | 38.4 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 131.9 | 169 | 173.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 38 | A | 39 | Very low | 37.9 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 127.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 39 | E | 40.8 | Very low | 38.5 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 117.8 | 173.6 | 173.8 | -177.6 | -160.1 | 0 | 0 | 108.9 | | |
| 40 | E | 33.3 | Very low | 38.7 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | | | trans | -157.1 | 162.5 | 157.9 | -131.5 | 175 | -178.7 | 0 | 0 | 112.6 | | |
| 41 | H | 40 | Very low | 38.5 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 65% | 0.648 | 78% | 0.783 | S | S | * | * | | | trans | -110.5 | 172.1 | -166.6 | -72.9 | -100.9 | 0 | 0 | 0 | 113.7 | | |
| 42 | F | 32.2 | Very low | 38.6 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | | | trans | 94.4 | 118.9 | 151.5 | -57.3 | -67.9 | 0 | 0 | 0 | 121.2 | | |
| 43 | L | 41.4 | Very low | 38.7 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | 68 | 137.4 | 130.9 | -63.9 | 168.3 | 0 | 0 | 0 | 121.3 | | |
| 44 | V | 41.1 | Very low | 38.8 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | | | trans | -85.2 | 139.5 | 177.5 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 45 | P | 41.8 | Very low | 39.5 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -116.2 | 149.2 | 144.1 | 2.1 | 19.3 | 0 | 0 | 0 | 111.5 | | |
| 46 | A | 42.4 | Very low | 39.6 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -120.1 | 132.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 47 | H | 38.1 | Very low | 38.9 | Very low | 168 Ų | 168 | 144 Ų | 144 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | | | trans | -156.2 | 140.7 | 173.6 | -155.5 | 41.4 | 0 | 0 | 0 | 115.8 | | |
| 48 | E | 38.1 | Very low | 39 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | | | trans | 14.8 | 119 | 160.8 | -75.6 | 177.9 | -152 | 0 | 0 | 124.9 | | |
| 49 | A | 42.7 | Very low | 39.3 | Very low | 87 Ų | 87 | 149.1 Ų | 149.1 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | | | | 44.5 | 111 | 107.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 50 | R | 36.4 | Very low | 38.7 | Very low | 254 Ų | 254 | 145.7 Ų | 145.7 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | | | trans | -166 | 145 | 139.5 | -97.7 | 152.5 | -164.5 | -97.9 | 3.8 | 108.2 | | |
| 51 | G | 34.6 | Very low | 38.6 | Very low | 71 Ų | 71 | 140.4 Ų | 140.4 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | | | cis | 132.1 | 83.2 | -8.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 52 | T | 40.3 | Very low | 38.2 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | | | trans | -140.2 | 142.7 | 165.5 | 39.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 53 | Q | 38.8 | Very low | 38.2 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | -112.5 | 147.9 | 178.6 | 171.9 | -177.4 | -10.3 | 0 | 0 | 108.1 | | |
| 54 | G | 41.5 | Very low | 38.1 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | -156.1 | 130.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 55 | E | 51.5 | Low | 37.7 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | -79.7 | 178.5 | 175.9 | -68.4 | 144.5 | 123.7 | 0 | 0 | 109.6 | | |
| 56 | D | 32.3 | Very low | 37.3 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | | | cis | -168.6 | 169.1 | 34.7 | -166 | 13.9 | 0 | 0 | 0 | 113 | | |
| 57 | Q | 34.3 | Very low | 36.9 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | | | trans | 56.7 | 141.6 | 167 | -51.6 | -51.3 | -28.1 | 0 | 0 | 121.9 | | |
| 58 | R | 37.7 | Very low | 37 | Very low | 232 Ų | 232 | 139.4 Ų | 139.4 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | | | trans | -103 | 165.4 | 151.4 | -61.4 | 177.7 | 174.9 | 169.1 | -2.9 | 108.5 | | |
| 59 | P | 45.4 | Very low | 36.8 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | | -152.7 | 167.6 | 97.1 | 38.7 | -21.5 | 0 | 0 | 0 | 117.4 | | |
| 60 | A | 29.1 | Very low | 36.8 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | 66.4 | 125.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 61 | G | 30.1 | Very low | 36.8 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | trans | 90.3 | 121.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 62 | A | 31.8 | Very low | 36.9 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | cis | -140.2 | 149 | -7.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 63 | A | 33.2 | Very low | 36.7 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -96 | 115.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 64 | S | 38.3 | Very low | 36.8 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | -96.3 | 80.1 | 162.2 | -68.2 | 0 | 0 | 0 | 0 | 109.2 | L66 | S64-L66 PolarHBondContact O-N 3.47Š|
| 65 | K | 33.3 | Very low | 36.7 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | | | trans | -74.6 | 100.2 | 174.8 | -175.9 | -168.4 | 179.3 | -161.2 | 0 | 108.3 | E67 | K65-E67 PolarHBondContact O-N 3.19Å; K65-E67 VanDerWaalsContact O-N 3.09Å |
| 66 | L | 34.5 | Very low | 36.1 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | -71.2 | 104.5 | 177.8 | -155 | 166.6 | 0 | 0 | 0 | 108.6 | S64 L68 | S64-L66 PolarHBondContact O-N 3.47Å; L66-L68 PolarHBondContact O-N 3.32Å |
| 67 | E | 32.4 | Very low | 36.6 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | | | trans | -67.9 | 114.9 | 175.7 | -73.9 | -167.8 | 112.5 | 0 | 0 | 110.1 | K65 Q69 | K65-E67 PolarHBondContact O-N 3.19Å; K65-E67 VanDerWaalsContact O-N 3.09Å; E67-Q69 VanDerWaalsContact C-N 3.28Å; E67-Q69 PolarHBondContact O-N 3.3Å |
| 68 | L | 40.2 | Very low | 36.9 | Very low | 157 Ų | 157 | 139 Ų | 139 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -75.1 | 87.6 | 165.9 | -168.5 | 153.6 | 0 | 0 | 0 | 107.2 | L66 E70 | L66-L68 PolarHBondContact O-N 3.32Å; L68-E70 PolarHBondContact O-N 3.37Å; L68-E70 VanDerWaalsContact O-N 3.09Å |
| 69 | Q | 34 | Very low | 37.4 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -73.4 | 100.6 | 174.2 | -173.2 | 170.9 | 43.8 | 0 | 0 | 109.4 | E67 E71 | E67-Q69 VanDerWaalsContact C-N 3.28Å; E67-Q69 PolarHBondContact O-N 3.3Å; Q69-E71 PolarHBondContact O-N 3.47Å; Q69-E71 VanDerWaalsContact O-N 3.11Å |
| 70 | E | 42.6 | Very low | 37 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -68.1 | 97.3 | 166.3 | -175.1 | -172.9 | 138 | 0 | 0 | 109.4 | L68 | L68-E70 PolarHBondContact O-N 3.37Å; L68-E70 VanDerWaalsContact O-N 3.09Å |
| 71 | E | 36.1 | Very low | 37.2 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 60% | 0.603 | 78% | 0.784 | S | S | * | * | | | trans | -102.3 | 106 | 163.5 | -171.3 | 166.7 | -162.4 | 0 | 0 | 109.9 | Q69 K74 | Q69-E71 PolarHBondContact O-N 3.47Å; Q69-E71 VanDerWaalsContact O-N 3.11Å; E71-K74 WeakPolarHBondContact OE1-CE 3.43Å; E71-K74 IonicContact OE1-NZ 2.58Å; E71-K74 PolarHBondContact OE1-NZ 3.33Å |
| 72 | G | 37.3 | Very low | 37.9 | Very low | 44 Ų | 44 | 143.7 Ų | 143.7 | 45% | 0.454 | 78% | 0.781 | S | S | . | * | | | trans | -70.3 | 168.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K74 | G72-K74 PolarHBondContact O-N 2.86Å; G72-K74 VanDerWaalsContact O-N 3.14Å |
| 73 | P | 37.3 | Very low | 38 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | | | trans | -66 | 114.1 | -175 | 27.2 | -34.8 | 0 | 0 | 0 | 111.7 | L75 | P73-L75 PolarHBondContact O-N 3.14Š|
| 74 | K | 40.1 | Very low | 38.7 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -71.9 | 117.7 | 175.8 | -78.9 | 175.6 | 173.6 | 161.2 | 0 | 111.2 | E71 G72 G76 | E71-K74 WeakPolarHBondContact OE1-CE 3.43Å; E71-K74 IonicContact OE1-NZ 2.58Å; E71-K74 PolarHBondContact OE1-NZ 3.33Å; G72-K74 PolarHBondContact O-N 2.86Å; G72-K74 VanDerWaalsContact O-N 3.14Å; K74-G76 PolarHBondContact O-N 2.58Å |
| 75 | L | 40.1 | Very low | 38.4 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -63.6 | 116.8 | 174.3 | -159.3 | 80.3 | 0 | 0 | 0 | 110.1 | P73 | P73-L75 PolarHBondContact O-N 3.14Š|
| 76 | G | 38.7 | Very low | 38.7 | Very low | 75 Ų | 75 | 142.7 Ų | 142.7 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -92.7 | 107.9 | 168 | 0 | 0 | 0 | 0 | 0 | 109.9 | K74 E78 | K74-G76 PolarHBondContact O-N 2.58Å; G76-E78 PolarHBondContact O-N 3.06Å |
| 77 | E | 41.6 | Very low | 39.1 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 70% | 0.696 | 79% | 0.786 | S | S | * | * | | | trans | -86.8 | 108 | -177.1 | -173.3 | 177.2 | 172.9 | 0 | 0 | 111.9 | R79 | E77-R79 IonicContact OE1-NE 3.92Š|
| 78 | E | 40.3 | Very low | 39.8 | Very low | 185 Ų | 185 | 142.9 Ų | 142.9 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -126.2 | 115.3 | 156.2 | -166.4 | 179.1 | 143.8 | 0 | 0 | 109.4 | G76 | G76-E78 PolarHBondContact O-N 3.06Š|
| 79 | R | 48.2 | Very low | 40.2 | Very low | 205 Ų | 205 | 143 Ų | 143 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | | | trans | -98.6 | 143.5 | 173.9 | -80.1 | 174.9 | 155.3 | -178.5 | -3.3 | 109.6 | E77 | E77-R79 IonicContact OE1-NE 3.92Š|
| 80 | P | 37.5 | Very low | 40.8 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | | -131.3 | 132.3 | 108.2 | 35 | -28.2 | 0 | 0 | 0 | 114.8 | | |
| 81 | K | 34.4 | Very low | 41.3 | Very low | 193 Ų | 193 | 139.4 Ų | 139.4 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | 40.9 | 120.6 | 144.1 | -133.2 | 177.5 | -172.6 | -176.7 | 0 | 120.2 | | |
| 82 | P | 44 | Very low | 42.4 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | trans | -80.3 | 146.5 | 165.2 | 34.2 | -33.1 | 0 | 0 | 0 | 111.9 | | |
| 83 | E | 33.6 | Very low | 43.3 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | trans | -115.2 | 154.3 | 158.3 | -93.9 | -171.4 | 152.6 | 0 | 0 | 110.3 | | |
| 84 | A | 47.7 | Very low | 43.8 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | | | trans | -106.5 | 136.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 85 | G | 32.8 | Very low | 44.3 | Very low | 72 Ų | 72 | 146.2 Ų | 146.2 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | 167.7 | 78.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 86 | A | 39.6 | Very low | 44.5 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | | 79 | 114.7 | 80.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 87 | L | 43.5 | Very low | 45 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | 65.5 | 90.1 | 140.2 | -153.6 | 168 | 0 | 0 | 0 | 118.1 | | |
| 88 | E | 46 | Very low | 45.3 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | | | | -156.7 | 141.1 | 111.6 | -134.1 | -172.3 | 121 | 0 | 0 | 112.4 | R90 | E88-R90 WeakPolarHBondContact OE1-CD 3.12Š|
| 89 | E | 49.7 | Very low | 45.8 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | | | trans | -94.2 | 123.2 | 163.8 | 163.4 | -86.5 | 122.3 | 0 | 0 | 107.5 | | |
| 90 | R | 46.1 | Very low | 46.2 | Very low | 215 Ų | 215 | 144.4 Ų | 144.4 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -164.5 | 95.5 | 161.2 | -120.6 | 161.7 | -175.7 | -129.7 | -3.5 | 118.4 | E88 | E88-R90 WeakPolarHBondContact OE1-CD 3.12Š|
| 91 | G | 52.3 | Low | 47.1 | Very low | 57 Ų | 57 | 144.8 Ų | 144.8 | 59% | 0.588 | 80% | 0.802 | S | S | * | * | | | trans | 70.5 | 151.6 | 140.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 92 | P | 58.6 | Low | 48.1 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | | | trans | -79.4 | 129.2 | 176.3 | 32 | -33.7 | 0 | 0 | 0 | 111.7 | | |
| 93 | R | 56.4 | Low | 48.5 | Very low | 241 Ų | 241 | 149.8 Ų | 149.8 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | -136.8 | 155.4 | 172.1 | -75.4 | -164.2 | 177.2 | -107.6 | -6.5 | 112 | | |
| 94 | P | 48 | Very low | 49.8 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | trans | -94.1 | 161.4 | -140.3 | 35 | -37.7 | 0 | 0 | 0 | 115.4 | V96 | P94-V96 PolarHBondContact O-N 3.26Š|
| 95 | V | 50.7 | Low | 50.5 | Low | 147 Ų | 147 | 143.4 Ų | 143.4 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | | | trans | -63.4 | 111.6 | 168.1 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 96 | V | 45.2 | Very low | 51.7 | Low | 122 Ų | 122 | 149.6 Ų | 149.6 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | | | trans | -92 | 110.9 | 173.8 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | P94 I98 | P94-V96 PolarHBondContact O-N 3.26Å; V96-I98 PolarHBondContact O-N 3.11Å |
| 97 | S | 49.2 | Very low | 52.7 | Low | 96 Ų | 96 | 156.2 Ų | 156.2 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | | | trans | -72.1 | 118 | 177.7 | 50.2 | 0 | 0 | 0 | 0 | 111 | V99 | S97-V99 PolarHBondContact O-N 3.03Š|
| 98 | I | 47.6 | Very low | 53.6 | Low | 173 Ų | 173 | 157.8 Ų | 157.8 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | -77.4 | 72.7 | -179.4 | 7.6 | 174.5 | 0 | 0 | 0 | 111.2 | V96 R100 | V96-I98 PolarHBondContact O-N 3.11Å; I98-R100 PolarHBondContact O-N 3.09Å |
| 99 | V | 50.6 | Low | 54 | Low | 123 Ų | 123 | 156.3 Ų | 156.3 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | | | trans | -65.4 | 104.2 | 170.3 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | S97 P101 | S97-V99 PolarHBondContact O-N 3.03Å; V99-P101 VanDerWaalsContact O-CD 3.25Å; V99-P101 WeakPolarHBondContact O-CD 3.25Å |
| 100 | R | 57.8 | Low | 54.1 | Low | 228 Ų | 228 | 155.5 Ų | 155.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -61.1 | 113.6 | -175.6 | -165.8 | 175 | -169.3 | 162.6 | 2.9 | 110.9 | I98 R102 | I98-R100 PolarHBondContact O-N 3.09Å; R100-R102 PolarHBondContact O-N 3.02Å |
| 101 | P | 55.7 | Low | 54.2 | Low | 125 Ų | 125 | 154.9 Ų | 154.9 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -63.7 | 124.4 | -176.5 | -23.2 | 34.5 | 0 | 0 | 0 | 111.6 | V99 | V99-P101 VanDerWaalsContact O-CD 3.25Å; V99-P101 WeakPolarHBondContact O-CD 3.25Å |
| 102 | R | 55.7 | Low | 54.4 | Low | 243 Ų | 243 | 157.5 Ų | 157.5 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | | | trans | -80.6 | 146.6 | 169.1 | -75.3 | -167.6 | 178.7 | -98.9 | 3.6 | 110.5 | R100 G104 | R100-R102 PolarHBondContact O-N 3.02Å; R102-G104 PolarHBondContact O-N 3.22Å |
| 103 | H | 52.6 | Low | 53.7 | Low | 177 Ų | 177 | 159 Ų | 159 | 82% | 0.819 | 81% | 0.814 | S | S | * | * | | | trans | -67.7 | 100.8 | -170.7 | -173.6 | -51.9 | 0 | 0 | 0 | 112.1 | | |
| 104 | G | 60.9 | Low | 52.9 | Low | 48 Ų | 48 | 152 Ų | 152 | 50% | 0.495 | 80% | 0.802 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 155.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R102 | R102-G104 PolarHBondContact O-N 3.22Š|
| 105 | P | 61.3 | Low | 52.8 | Low | 127 Ų | 127 | 155.1 Ų | 155.1 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 147.4 | 172.4 | 29.2 | -34.1 | 0 | 0 | 0 | 111.4 | R107 | P105-R107 PolarHBondContact O-N 3.37Š|
| 106 | K | 58 | Low | 52.5 | Low | 202 Ų | 202 | 154 Ų | 154 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 129.4 | -175.8 | -71.4 | -167 | 175.8 | -174.7 | 0 | 112 | | |
| 107 | R | 60 | Low | 52.1 | Low | 239 Ų | 239 | 151.5 Ų | 151.5 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 147 | 179.3 | -55.8 | 171.5 | 81 | 174.1 | 6 | 111.5 | P105 | P105-R107 PolarHBondContact O-N 3.37Š|
| 108 | K | 62.8 | Low | 51.8 | Low | 195 Ų | 195 | 155.4 Ų | 155.4 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | | | trans | -113 | 133.8 | 145.4 | -66.6 | -170.3 | -179.5 | -177.1 | 0 | 107.7 | V110 | K108-V110 PolarHBondContact O-N 3.23Š|
| 109 | P | 55.3 | Low | 51.3 | Low | 127 Ų | 127 | 159.2 Ų | 159.2 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | -79.3 | 114 | -179.1 | 30.3 | -32.3 | 0 | 0 | 0 | 110.9 | | |
| 110 | V | 50.8 | Low | 50.7 | Low | 142 Ų | 142 | 157.4 Ų | 157.4 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -93 | 150.5 | 157.8 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | K108 | K108-V110 PolarHBondContact O-N 3.23Š|
| 111 | K | 49.6 | Very low | 49.8 | Very low | 201 Ų | 201 | 155.3 Ų | 155.3 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 146.4 | -161.3 | -65 | 137.9 | -178 | 179.1 | 0 | 112.4 | | |
| 112 | S | 54.5 | Low | 49.4 | Very low | 112 Ų | 112 | 155.5 Ų | 155.5 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 152.2 | 174.5 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 113 | L | 44.2 | Very low | 48.7 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | | | trans | -156.1 | 133.3 | 141.1 | -108.4 | 166.5 | 0 | 0 | 0 | 111.5 | | |
| 114 | S | 40.2 | Very low | 48.2 | Very low | 95 Ų | 95 | 148.8 Ų | 148.8 | 66% | 0.664 | 82% | 0.815 | S | S | * | * | | | trans | 37.2 | 111.4 | 157 | 55.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 115 | L | 45.3 | Very low | 47.1 | Very low | 171 Ų | 171 | 154.4 Ų | 154.4 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | | | | -87.3 | 141.8 | 121.3 | -81 | 95.3 | 0 | 0 | 0 | 107.5 | | |
| 116 | P | 44.5 | Very low | 46.3 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | | | | -135.5 | 166.4 | 90 | 38.1 | -26.5 | 0 | 0 | 0 | 113 | | |
| 117 | G | 36.9 | Very low | 45.2 | Very low | 69 Ų | 69 | 152.7 Ų | 152.7 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | | | cis | -176.8 | -170.4 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 118 | L | 44.1 | Very low | 44.6 | Very low | 178 Ų | 178 | 149.2 Ų | 149.2 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | | | trans | -70.6 | 127.8 | -177 | -61.3 | 164.9 | 0 | 0 | 0 | 112.8 | | |
| 119 | R | 36.8 | Very low | 44.1 | Very low | 254 Ų | 254 | 145.4 Ų | 145.4 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | | | trans | -152.6 | 153.7 | 138.9 | -75.7 | -149.9 | 177.1 | -118.9 | -6.2 | 110.3 | | |
| 120 | A | 37.3 | Very low | 43.6 | Very low | 85 Ų | 85 | 144.2 Ų | 144.2 | 70% | 0.702 | 82% | 0.815 | S | S | * | * | | | trans | -99.6 | 156.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 121 | H | 40.3 | Very low | 42.7 | Very low | 184 Ų | 184 | 148.9 Ų | 148.9 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | | | trans | 10.4 | 140.4 | 147.6 | -57.6 | -59.3 | 0 | 0 | 0 | 119.2 | | |
| 122 | P | 46.8 | Very low | 42.1 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | | | | -142.5 | -178.2 | 63 | 39.3 | -20.6 | 0 | 0 | 0 | 118.1 | | |
| 123 | K | 39.7 | Very low | 41.7 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | | | trans | -41.3 | 151.3 | -175 | -66.4 | -177.9 | 158 | -152.9 | 0 | 118 | E125 | K123-E125 IonicContact NZ-OE2 3.1Å; K123-E125 PolarHBondContact NZ-OE2 3.09Å; K123-E125 VanDerWaalsContact NZ-OE2 3.1Å |
| 124 | A | 42.3 | Very low | 41 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | | | trans | -140.5 | 146.7 | 135 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 125 | E | 38.2 | Very low | 40.6 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | | | trans | -101.7 | 140.5 | 173 | -77.6 | 162.1 | 58 | 0 | 0 | 109.4 | K123 | K123-E125 IonicContact NZ-OE2 3.1Å; K123-E125 PolarHBondContact NZ-OE2 3.09Å; K123-E125 VanDerWaalsContact NZ-OE2 3.1Å |
| 126 | A | 43.8 | Very low | 40.1 | Very low | 100 Ų | 100 | 150.6 Ų | 150.6 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | | | trans | -159.2 | 146.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 127 | E | 35.8 | Very low | 39.8 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | -84.7 | 166.1 | -175 | -67.4 | 160.3 | 92.4 | 0 | 0 | 113.6 | | |
| 128 | L | 46.9 | Very low | 39.9 | Very low | 166 Ų | 166 | 157.2 Ų | 157.2 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | | | trans | -94.2 | -176 | 167.2 | -51.6 | 174 | 0 | 0 | 0 | 109 | | |
| 129 | P | 52.7 | Low | 40.3 | Very low | 115 Ų | 115 | 153.7 Ų | 153.7 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | | | cis | -132.1 | -133.3 | -6.2 | 43 | -22.5 | 0 | 0 | 0 | 109.9 | | |
| 130 | P | 44.8 | Very low | 40.6 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | | | cis | -124.3 | 161.6 | -45.3 | 35.4 | -21.3 | 0 | 0 | 0 | 114.1 | | |
| 131 | R | 32.3 | Very low | 40.4 | Very low | 240 Ų | 240 | 149.4 Ų | 149.4 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | | 168.9 | 160 | 129.2 | -94 | 167.3 | -177.8 | 178.1 | 1.4 | 114.8 | | |
| 132 | L | 36.3 | Very low | 40.5 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | | | trans | -136.2 | 179.3 | 172.4 | -57.5 | 169.4 | 0 | 0 | 0 | 106.9 | | |
| 133 | P | 46.1 | Very low | 40.2 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | | | cis | -125.2 | -131.1 | -19.5 | 39.1 | -19 | 0 | 0 | 0 | 110.5 | | |
| 134 | L | 30.5 | Very low | 40.2 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | | | trans | 81.6 | 108.9 | 168.5 | -139.5 | 62.1 | 0 | 0 | 0 | 114 | | |
| 135 | Q | 31.9 | Very low | 40.5 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | | | | 93.6 | 163.4 | 69 | -166.8 | 173.8 | -21 | 0 | 0 | 111.8 | | |
| 136 | E | 35 | Very low | 41.3 | Very low | 185 Ų | 185 | 148.6 Ų | 148.6 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | trans | 77.2 | 144.1 | -176.2 | -51.5 | 176.3 | 150.2 | 0 | 0 | 112.7 | | |
| 137 | E | 37.9 | Very low | 41.3 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | | | cis | -144.1 | 156 | 7.2 | -170.8 | 176.2 | 85 | 0 | 0 | 110 | | |
| 138 | E | 39.3 | Very low | 42.1 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | | | trans | -110 | 145.5 | 168.1 | -161.8 | -147.5 | 107.9 | 0 | 0 | 109.3 | E140 | E138-E140 PolarHBondContact OE1-N 3.1Š|
| 139 | P | 52.7 | Low | 42 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | | | | -143.4 | 132.2 | 122 | 33.8 | -19.2 | 0 | 0 | 0 | 115.8 | | |
| 140 | E | 42.1 | Very low | 41.8 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | | 33 | 124.7 | 127.9 | -61.8 | -173.2 | 89.5 | 0 | 0 | 119.5 | E138 | E138-E140 PolarHBondContact OE1-N 3.1Š|
| 141 | G | 32.5 | Very low | 42.4 | Very low | 74 Ų | 74 | 147.5 Ų | 147.5 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | trans | 152.6 | 84.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 142 | S | 43.4 | Very low | 43.6 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | | | trans | -179.6 | 126 | 130.8 | -83.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 143 | Q | 40.2 | Very low | 44.7 | Very low | 199 Ų | 199 | 145.7 Ų | 145.7 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | | | trans | -80.8 | 134.5 | 171.4 | -62 | 170.7 | -15.4 | 0 | 0 | 110.9 | | |
| 144 | S | 40 | Very low | 45.3 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -168.9 | 108.1 | 145.5 | -167.2 | 0 | 0 | 0 | 0 | 111 | | |
| 145 | E | 48.2 | Very low | 46.9 | Very low | 185 Ų | 185 | 152.6 Ų | 152.6 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | | | trans | -85.7 | 169.7 | 168.7 | -103.4 | -145.3 | 122 | 0 | 0 | 111.8 | | |
| 146 | P | 56.1 | Low | 48.2 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 68% | 0.682 | 82% | 0.824 | S | S | * | * | | | trans | -93.2 | 165.8 | -152.2 | 36.1 | -38.2 | 0 | 0 | 0 | 115.5 | | |
| 147 | S | 43.8 | Very low | 49.8 | Very low | 119 Ų | 119 | 151 Ų | 151 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | | | trans | -156.8 | 144.3 | 149.4 | -89.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 148 | P | 52.3 | Low | 51.1 | Low | 122 Ų | 122 | 152 Ų | 152 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | | | trans | -88.1 | 143.5 | -175.1 | 34.2 | -35.2 | 0 | 0 | 0 | 113.8 | A150 | P148-A150 PolarHBondContact O-N 3.46Š|
| 149 | S | 44.4 | Very low | 52.3 | Low | 131 Ų | 131 | 155.9 Ų | 155.9 | 92% | 0.916 | 84% | 0.837 | S | S | * | * | | | trans | -77.8 | 101.7 | 174.2 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 150 | A | 48.1 | Very low | 52.6 | Low | 83 Ų | 83 | 160 Ų | 160 | 69% | 0.686 | 85% | 0.845 | S | S | * | * | | | trans | -83.5 | 136.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P148 | P148-A150 PolarHBondContact O-N 3.46Š|
| 151 | K | 56.8 | Low | 53.3 | Low | 199 Ų | 199 | 157.2 Ų | 157.2 | 87% | 0.865 | 84% | 0.844 | S | S | * | * | | | trans | -159.8 | 144.1 | 144.4 | -108.5 | 145.9 | -169.6 | 171.5 | 0 | 111.9 | | |
| 152 | Q | 58.9 | Low | 54.5 | Low | 181 Ų | 181 | 162.8 Ų | 162.8 | 85% | 0.846 | 86% | 0.855 | S | S | * | * | | | trans | -107.8 | 141.9 | -167.7 | -59 | 166 | -47.7 | 0 | 0 | 111.7 | | |
| 153 | H | 58.4 | Low | 54.6 | Low | 185 Ų | 185 | 160.1 Ų | 160.1 | 86% | 0.856 | 85% | 0.849 | S | S | * | * | | | trans | -125.8 | 88.9 | 166.1 | -60 | -68.4 | 0 | 0 | 0 | 111.2 | K155 | H153-K155 PolarHBondContact O-N 3.19Š|
| 154 | K | 58 | Low | 55.1 | Low | 200 Ų | 200 | 154.8 Ų | 154.8 | 87% | 0.87 | 84% | 0.839 | S | S | * | * | | | trans | -56.2 | 115.3 | 178.5 | 168.9 | -170.7 | 173.7 | -177.3 | 0 | 113.5 | | |
| 155 | K | 64.6 | Low | 55.6 | Low | 212 Ų | 212 | 154.5 Ų | 154.5 | 92% | 0.922 | 83% | 0.833 | S | S | * | * | | | trans | -137.8 | 122.7 | 142.4 | -76.7 | -165.4 | 177.7 | 178.7 | 0 | 109.8 | H153 | H153-K155 PolarHBondContact O-N 3.19Š|
| 156 | A | 59.7 | Low | 55.7 | Low | 99 Ų | 99 | 151.5 Ų | 151.5 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | | | trans | -119.3 | 140.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 157 | K | 67.8 | Low | 55.2 | Low | 215 Ų | 215 | 154 Ų | 154 | 94% | 0.935 | 83% | 0.834 | S | S | * | * | | | trans | -131 | 90.3 | 164.5 | -170.5 | 166.4 | -177.9 | 174.9 | 0 | 109.8 | R159 | K157-R159 PolarHBondContact O-N 2.81Š|
| 158 | K | 64.9 | Low | 55.4 | Low | 201 Ų | 201 | 156.5 Ų | 156.5 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | | | trans | -71.1 | 122 | 175.2 | -114.8 | -171.6 | -179.6 | -178.2 | 0 | 110.3 | | |
| 159 | R | 64.6 | Low | 55.3 | Low | 235 Ų | 235 | 155.3 Ų | 155.3 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | | | trans | -143.6 | 97.7 | 145 | -162.2 | 174.5 | -174.8 | 173 | 1.9 | 105.6 | K157 | K157-R159 PolarHBondContact O-N 2.81Š|
| 160 | K | 59.5 | Low | 55.5 | Low | 190 Ų | 190 | 154.7 Ų | 154.7 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | | | | 57.5 | 84.6 | 81.5 | -76.2 | -162.3 | 174.5 | -170.5 | 0 | 112.4 | | |
| 161 | S | 57.1 | Low | 55.5 | Low | 116 Ų | 116 | 155.5 Ų | 155.5 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | | | trans | -157.2 | 103.2 | 140.9 | 51.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 162 | L | 56.9 | Low | 55 | Low | 190 Ų | 190 | 151.1 Ų | 151.1 | 100% | 0.995 | 82% | 0.824 | S | S | * | * | | | trans | -75.4 | 124.7 | 156.5 | -73.5 | 166.3 | 0 | 0 | 0 | 105.8 | | |
| 163 | G | 46.5 | Very low | 54.7 | Low | 73 Ų | 73 | 148.8 Ų | 148.8 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | | | trans | -142.5 | 87.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 164 | A | 50.9 | Low | 54.3 | Low | 87 Ų | 87 | 146.1 Ų | 146.1 | 72% | 0.719 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 140.9 | 172 | 0 | 0 | 0 | 0 | 0 | 108.9 | V166 | A164-V166 PolarHBondContact O-N 3.07Š|
| 165 | P | 49.3 | Very low | 53.5 | Low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 122.2 | 171.7 | 27.5 | -32.8 | 0 | 0 | 0 | 108.8 | L167 | P165-L167 PolarHBondContact O-N 2.6Š|
| 166 | V | 50.4 | Low | 52.7 | Low | 123 Ų | 123 | 136.3 Ų | 136.3 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 118.2 | 172.5 | 176.4 | 0 | 0 | 0 | 0 | 107.7 | A164 H168 | A164-V166 PolarHBondContact O-N 3.07Å; V166-H168 PolarHBondContact O-N 3.42Å; V166-H168 VanDerWaalsContact O-N 3.16Å |
| 167 | L | 47.3 | Very low | 51.9 | Low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | | | trans | -67.5 | 110.9 | 175.3 | -63.7 | 176 | 0 | 0 | 0 | 109.1 | P165 A169 | P165-L167 PolarHBondContact O-N 2.6Å; L167-A169 PolarHBondContact O-N 3.18Å |
| 168 | H | 47 | Very low | 51.1 | Low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | | | trans | -75 | 76.5 | 168.3 | -89.8 | -86.9 | 0 | 0 | 0 | 110.3 | V166 V170 | V166-H168 PolarHBondContact O-N 3.42Å; V166-H168 VanDerWaalsContact O-N 3.16Å; H168-V170 PolarHBondContact O-N 3.14Å |
| 169 | A | 50.8 | Low | 50.4 | Low | 97 Ų | 97 | 133.6 Ų | 133.6 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | trans | -76.2 | 93.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L167 | L167-A169 PolarHBondContact O-N 3.18Š|
| 170 | V | 47.8 | Very low | 49.7 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | | | trans | -127 | 112.3 | 162 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | H168 S172 | H168-V170 PolarHBondContact O-N 3.14Å; V170-S172 PolarHBondContact O-N 3.07Å |
| 171 | A | 48.7 | Very low | 49.2 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -73.4 | 108.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 172 | S | 46.7 | Very low | 48.8 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -112.8 | 89.2 | 170.2 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | V170 V174 | V170-S172 PolarHBondContact O-N 3.07Å; S172-V174 PolarHBondContact O-N 3.37Å |
| 173 | T | 52.9 | Low | 48.5 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | | | trans | -71.2 | 106.1 | 172.6 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 174 | V | 48.4 | Very low | 48.7 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 169.9 | 144.4 | 147.4 | 146.3 | 0 | 0 | 0 | 0 | 109.6 | S172 | S172-V174 PolarHBondContact O-N 3.37Š|
| 175 | S | 41.2 | Very low | 48.6 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | trans | 59.3 | 113.3 | 174.5 | -66.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 176 | A | 48.6 | Very low | 48.6 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | | | trans | -76.3 | 143 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 177 | P | 43.2 | Very low | 48.8 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | | | trans | -120.9 | 91.7 | 140.8 | 33 | -23 | 0 | 0 | 0 | 108.8 | E179 | P177-E179 PolarHBondContact O-N 3.23Š|
| 178 | L | 50.6 | Low | 49.3 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 55.8 | -178.5 | -173.1 | 62.4 | 0 | 0 | 0 | 111.6 | | |
| 179 | E | 50.2 | Low | 49.7 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152 | 5.6 | -174.1 | -126 | 171.3 | 177.6 | 0 | 0 | 116.4 | P177 | P177-E179 PolarHBondContact O-N 3.23Š|
| 180 | T | 50.3 | Low | 50.3 | Low | 119 Ų | 119 | 144.7 Ų | 144.7 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | | | trans | -127.1 | 29.3 | -171.1 | 50.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 181 | L | 49.2 | Very low | 51.1 | Low | 186 Ų | 186 | 149.5 Ų | 149.5 | 97% | 0.974 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -122.2 | 48.6 | 170.2 | -154.5 | 80.4 | 0 | 0 | 0 | 113.9 | | |
| 182 | G | 47.5 | Very low | 51.9 | Low | 67 Ų | 67 | 149.2 Ų | 149.2 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | trans | -132.2 | -6.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | E184 | G182-E184 PolarHBondContact O-N 3.15Š|
| 183 | L | 51.7 | Low | 52.8 | Low | 187 Ų | 187 | 151.1 Ų | 151.1 | 98% | 0.979 | 80% | 0.803 | S | S | * | * | | | trans | -79.8 | 26.3 | -166.6 | -152.3 | 84 | 0 | 0 | 0 | 115.8 | | |
| 184 | E | 49.6 | Very low | 53.3 | Low | 176 Ų | 176 | 154.5 Ų | 154.5 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | -147 | 84.5 | 159.3 | -155.9 | -157.2 | 176.7 | 0 | 0 | 113.3 | G182 | G182-E184 PolarHBondContact O-N 3.15Š|
| 185 | R | 50.4 | Low | 54.1 | Low | 222 Ų | 222 | 155.9 Ų | 155.9 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -125.5 | 140 | 132.2 | -64.7 | -174.1 | -167.9 | 153.2 | 9.9 | 107.7 | | |
| 186 | K | 47.5 | Very low | 55.6 | Low | 192 Ų | 192 | 159 Ų | 159 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | -37.6 | 143.8 | 173.6 | -66.8 | 174.5 | 176.4 | 175.9 | 0 | 110.2 | Q188 | K186-Q188 WeakPolarHBondContact O-CA 3.45Å; K186-Q188 PolarHBondContact O-N 3.03Å |
| 187 | A | 55.4 | Low | 57 | Low | 97 Ų | 97 | 158.2 Ų | 158.2 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | trans | -45.2 | 90.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R189 | A187-R189 PolarHBondContact O-N 3.24Š|
| 188 | Q | 57 | Low | 58.8 | Low | 155 Ų | 155 | 154.9 Ų | 154.9 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | | | trans | -83.5 | 77.3 | -172.4 | 178.6 | 166.8 | -23.4 | 0 | 0 | 104.1 | K186 L190 | K186-Q188 WeakPolarHBondContact O-CA 3.45Å; K186-Q188 PolarHBondContact O-N 3.03Å; Q188-L190 VanDerWaalsContact C-N 3.34Å; Q188-L190 PolarHBondContact O-N 2.73Å |
| 189 | R | 57 | Low | 60.2 | Low | 225 Ų | 225 | 155.8 Ų | 155.8 | 85% | 0.849 | 75% | 0.748 | S | S | * | * | | | trans | -36.5 | 104.1 | 179.3 | -70.8 | 174.9 | 64.3 | -164.9 | 0.8 | 106.4 | A187 R191 | A187-R189 PolarHBondContact O-N 3.24Å; R189-R191 PolarHBondContact O-N 2.63Å |
| 190 | L | 63.4 | Low | 61.7 | Low | 161 Ų | 161 | 152.7 Ų | 152.7 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | | | trans | -62.4 | 99.1 | 175.4 | -66.6 | 178.5 | 0 | 0 | 0 | 102.9 | Q188 P192 | Q188-L190 VanDerWaalsContact C-N 3.34Å; Q188-L190 PolarHBondContact O-N 2.73Å; L190-P192 WeakPolarHBondContact O-CD 3.17Å |
| 191 | R | 62.5 | Low | 63.1 | Low | 220 Ų | 220 | 149.8 Ų | 149.8 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | | | trans | -54 | 128.1 | 171.7 | -78.3 | -170.1 | -82.7 | 167.4 | -5.8 | 103.2 | R189 L193 | R189-R191 PolarHBondContact O-N 2.63Å; R191-L193 VanDerWaalsContact C-N 3.26Å; R191-L193 PolarHBondContact O-N 2.77Å |
| 192 | P | 66.1 | Low | 64.8 | Low | 94 Ų | 94 | 144.9 Ų | 144.9 | 61% | 0.61 | 70% | 0.704 | S | S | * | * | | | trans | -49.9 | 108.2 | 163 | -23.6 | 33.9 | 0 | 0 | 0 | 104.9 | L190 Y194 | L190-P192 WeakPolarHBondContact O-CD 3.17Å; P192-Y194 HydrophobicContact CB-CD2 4.24Å; P192-Y194 HydrophobicContact CB-CE2 4.01Å; P192-Y194 WeakPolarHBondContact O-CD2 3.31Å; P192-Y194 PolarHBondContact O-N 3.15Å |
| 193 | L | 65.8 | Low | 66.5 | Low | 146 Ų | 146 | 149 Ų | 149 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | | | trans | -72.3 | 87.1 | 169.6 | -178.6 | 66.7 | 0 | 0 | 0 | 101.6 | R191 Q195 | R191-L193 VanDerWaalsContact C-N 3.26Å; R191-L193 PolarHBondContact O-N 2.77Å; L193-Q195 PolarHBondContact O-N 2.81Å |
| 194 | Y | 62.8 | Low | 67.9 | Low | 205 Ų | 205 | 146 Ų | 146 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | | | trans | -55.1 | 96 | 166.3 | -72.6 | -83.1 | 0 | 0 | 0 | 104.2 | P192 Y196 | P192-Y194 HydrophobicContact CB-CD2 4.24Å; P192-Y194 HydrophobicContact CB-CE2 4.01Å; P192-Y194 WeakPolarHBondContact O-CD2 3.31Å; P192-Y194 PolarHBondContact O-N 3.15Å; Y194-Y196 PolarHBondContact O-N 3.41Å |
| 195 | Q | 66.8 | Low | 69.5 | Low | 157 Ų | 157 | 140.5 Ų | 140.5 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | | | trans | -61 | 114.8 | -173.2 | -82.1 | 167.1 | -23.8 | 0 | 0 | 105.2 | L193 I197 | L193-Q195 PolarHBondContact O-N 2.81Å; Q195-I197 PolarHBondContact O-N 3.4Å |
| 196 | Y | 71.2 | Confident | 70.9 | Confident | 177 Ų | 177 | 136.6 Ų | 136.6 | 69% | 0.694 | 66% | 0.657 | S | S | * | * | | | trans | -72.5 | 84.2 | 176 | 179.7 | -98.6 | 0 | 0 | 0 | 106.3 | Y194 N198 | Y194-Y196 PolarHBondContact O-N 3.41Å; Y196-N198 HydrophobicContact CD1-CB 4.17Å; Y196-N198 HydrophobicContact CE1-CB 3.9Å; Y196-N198 PolarHBondContact O-N 2.89Å |
| 197 | I | 78.8 | Confident | 71.9 | Confident | 79 Ų | 79 | 132 Ų | 132 | 41% | 0.405 | 66% | 0.655 | S | S | . | * | | | trans | -61.2 | 107.9 | 169.2 | -61.6 | 173.5 | 0 | 0 | 0 | 105.2 | Q195 Y199 N205 | Q195-I197 PolarHBondContact O-N 3.4Å; I197-Y199 VanDerWaalsContact C-N 3.28Å; I197-Y199 HydrophobicContact CB-CD2 4.47Å; I197-Y199 HydrophobicContact CB-CE1 4.47Å; I197-Y199 HydrophobicContact CB-CE2 3.87Å; I197-Y199 HydrophobicContact CG2-CD1 4.09Å; I197-Y199 HydrophobicContact CG2-CD2 4.32Å; I197-Y199 HydrophobicContact CG2-CE1 3.69Å; I197-Y199 HydrophobicContact CG2-CE2 3.94Å; I197-Y199 HydrophobicContact CG2-CG 4.39Å; I197-Y199 WeakPolarHBondContact O-CD2 3.44Å; I197-Y199 WeakPolarHBondContact O-CE2 3.4Å; I197-Y199 PolarHBondContact O-N 2.87Å; I197-N205 WeakPolarHBondContact CA-OD1 3.5Å |
| 198 | N | 81.8 | Confident | 72.4 | Confident | 30 Ų | 30 | 131 Ų | 131 | 16% | 0.16 | 65% | 0.654 | C | S | . | * | | | trans | -78 | 81.9 | -176.9 | -169.9 | -4.2 | 0 | 0 | 0 | 108.9 | Y196 C200 N201 N205 | Y196-N198 HydrophobicContact CD1-CB 4.17Å; Y196-N198 HydrophobicContact CE1-CB 3.9Å; Y196-N198 PolarHBondContact O-N 2.89Å; N198-C200 PolarHBondContact O-N 3.07Å; N198-C200 PolarHBondContact OD1-N 2.89Å; N198-N201 CarbonylContact O-C 3.13Å; N198-N201 PolarHBondContact O-N 3.08Å; N198-N201 VanDerWaalsContact O-N 3.1Å; N198-N201 VanDerWaalsContact O-O 3.13Å; N198-N201 PolarHBondContact OD1-N 3.07Å; N198-N201 VanDerWaalsContact OD1-N 3.12Å; N198-N205 PolarHBondContact N-ND2 2.98Å; N198-N205 PolarHBondContact N-OD1 3.18Å; N198-N205 PolarHBondContact O-ND2 3.31Å |
| 199 | Y | 79.1 | Confident | 72.6 | Confident | 194 Ų | 194 | 133 Ų | 133 | 76% | 0.761 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -18.7 | 175.8 | -61.4 | -77.6 | 0 | 0 | 0 | 113.1 | I197 | I197-Y199 VanDerWaalsContact C-N 3.28Å; I197-Y199 HydrophobicContact CB-CD2 4.47Å; I197-Y199 HydrophobicContact CB-CE1 4.47Å; I197-Y199 HydrophobicContact CB-CE2 3.87Å; I197-Y199 HydrophobicContact CG2-CD1 4.09Å; I197-Y199 HydrophobicContact CG2-CD2 4.32Å; I197-Y199 HydrophobicContact CG2-CE1 3.69Å; I197-Y199 HydrophobicContact CG2-CE2 3.94Å; I197-Y199 HydrophobicContact CG2-CG 4.39Å; I197-Y199 WeakPolarHBondContact O-CD2 3.44Å; I197-Y199 WeakPolarHBondContact O-CE2 3.4Å; I197-Y199 PolarHBondContact O-N 2.87Å |
| 200 | C | 82.3 | Confident | 72.6 | Confident | 117 Ų | 117 | 125.7 Ų | 125.7 | 79% | 0.791 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -17.5 | 176.4 | -63.1 | 0 | 0 | 0 | 0 | 113.4 | N198 | N198-C200 PolarHBondContact O-N 3.07Å; N198-C200 PolarHBondContact OD1-N 2.89Å |
| 201 | N | 80.1 | Confident | 71.9 | Confident | 59 Ų | 59 | 125.4 Ų | 125.4 | 32% | 0.316 | 66% | 0.657 | S | S | . | * | | | trans | -152.1 | 89.9 | 173.1 | -171.4 | -10 | 0 | 0 | 0 | 109.6 | N198 E203 L204 | N198-N201 CarbonylContact O-C 3.13Å; N198-N201 PolarHBondContact O-N 3.08Å; N198-N201 VanDerWaalsContact O-N 3.1Å; N198-N201 VanDerWaalsContact O-O 3.13Å; N198-N201 PolarHBondContact OD1-N 3.07Å; N198-N201 VanDerWaalsContact OD1-N 3.12Å; N201-E203 VanDerWaalsContact C-N 3.3Å; N201-E203 PolarHBondContact O-N 2.99Å; N201-L204 HydrophobicContact CB-CD1 4.22Å; N201-L204 PolarHBondContact O-N 3.31Å |
| 202 | P | 85.1 | Confident | 71.2 | Confident | 83 Ų | 83 | 118.2 Ų | 118.2 | 54% | 0.539 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -70 | -25.2 | -167.5 | 27.5 | -35 | 0 | 0 | 0 | 113.8 | L204 N205 | P202-L204 PolarHBondContact O-N 2.93Å; P202-N205 WeakPolarHBondContact CA-ND2 3.42Å; P202-N205 WeakPolarHBondContact O-CB 3.34Å; P202-N205 PolarHBondContact O-N 3.15Å; P202-N205 PolarHBondContact O-ND2 2.87Å |
| 203 | E | 83.3 | Confident | 70.2 | Confident | 153 Ų | 153 | 122.3 Ų | 122.3 | 72% | 0.715 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -58.4 | -35.6 | 178.5 | -64.3 | 166.8 | -162.1 | 0 | 0 | 111.5 | N201 N205 Q206 | N201-E203 VanDerWaalsContact C-N 3.3Å; N201-E203 PolarHBondContact O-N 2.99Å; E203-N205 PolarHBondContact O-N 3.36Å; E203-Q206 WeakPolarHBondContact O-CB 3.48Å; E203-Q206 PolarHBondContact O-N 3.32Å; E203-Q206 VanDerWaalsContact O-N 3.14Å |
| 204 | L | 81 | Confident | 69.6 | Low | 125 Ų | 125 | 120.5 Ų | 120.5 | 65% | 0.654 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -73.6 | -2.4 | 178.6 | -60.7 | 179.5 | 0 | 0 | 0 | 114.3 | N201 P202 | N201-L204 HydrophobicContact CB-CD1 4.22Å; N201-L204 PolarHBondContact O-N 3.31Å; P202-L204 PolarHBondContact O-N 2.93Å |
| 205 | N | 81.8 | Confident | 68.7 | Low | 59 Ų | 59 | 119.5 Ų | 119.5 | 32% | 0.316 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -86.3 | -18.9 | 170.5 | -58.3 | -46.7 | 0 | 0 | 0 | 112.3 | I197 N198 P202 E203 A207 | I197-N205 WeakPolarHBondContact CA-OD1 3.5Å; N198-N205 PolarHBondContact N-ND2 2.98Å; N198-N205 PolarHBondContact N-OD1 3.18Å; N198-N205 PolarHBondContact O-ND2 3.31Å; P202-N205 WeakPolarHBondContact CA-ND2 3.42Å; P202-N205 WeakPolarHBondContact O-CB 3.34Å; P202-N205 PolarHBondContact O-N 3.15Å; P202-N205 PolarHBondContact O-ND2 2.87Å; E203-N205 PolarHBondContact O-N 3.36Å; N205-A207 PolarHBondContact O-N 2.85Å |
| 206 | Q | 79.6 | Confident | 67.7 | Low | 140 Ų | 140 | 118.3 Ų | 118.3 | 65% | 0.654 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -74.3 | 112.2 | 175.3 | -53.4 | -59.5 | 89.6 | 0 | 0 | 107.9 | E203 G208 | E203-Q206 WeakPolarHBondContact O-CB 3.48Å; E203-Q206 PolarHBondContact O-N 3.32Å; E203-Q206 VanDerWaalsContact O-N 3.14Å; Q206-G208 PolarHBondContact O-N 2.88Å |
| 207 | A | 68.3 | Low | 66.4 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 79% | 0.793 | 68% | 0.683 | S | S | * | * | | | trans | -62 | 123.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107 | N205 E209 | N205-A207 PolarHBondContact O-N 2.85Å; A207-E209 PolarHBondContact O-N 3.22Å |
| 208 | G | 67.6 | Low | 64.8 | Low | 75 Ų | 75 | 119 Ų | 119 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | | | trans | -54.5 | 95.1 | -159.4 | 0 | 0 | 0 | 0 | 0 | 115 | Q206 G210 | Q206-G208 PolarHBondContact O-N 2.88Å; G208-G210 PolarHBondContact O-N 3.15Å |
| 209 | E | 60.3 | Low | 63.1 | Low | 199 Ų | 199 | 126.9 Ų | 126.9 | 93% | 0.93 | 73% | 0.732 | S | S | * | * | | | trans | -79.8 | 65.3 | 171.5 | -160.8 | 157.9 | -136.5 | 0 | 0 | 108.2 | A207 | A207-E209 PolarHBondContact O-N 3.22Š|
| 210 | G | 57.8 | Low | 61.4 | Low | 70 Ų | 70 | 122.3 Ų | 122.3 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | trans | -159.2 | 26.4 | -162.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G208 | G208-G210 PolarHBondContact O-N 3.15Š|
| 211 | D | 48.2 | Very low | 59.5 | Low | 155 Ų | 155 | 125.2 Ų | 125.2 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | | | trans | -120.9 | 52.2 | 160.6 | -160.9 | 17.4 | 0 | 0 | 0 | 108.4 | E213 | D211-E213 PolarHBondContact O-N 3.43Š|
| 212 | G | 48.5 | Very low | 57.8 | Low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | -76.6 | 106.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | A214 | G212-A214 VanDerWaalsContact C-N 3.31Å; G212-A214 PolarHBondContact O-N 2.82Å |
| 213 | E | 43.6 | Very low | 55.4 | Low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -62 | 83.6 | -175.6 | 56.1 | -161.8 | 145 | 0 | 0 | 112.5 | D211 E215 | D211-E213 PolarHBondContact O-N 3.43Å; E213-E215 PolarHBondContact O-N 3.27Å |
| 214 | A | 53.5 | Low | 53.4 | Low | 108 Ų | 108 | 131.2 Ų | 131.2 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | trans | -77.8 | 49.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G212 | G212-A214 VanDerWaalsContact C-N 3.31Å; G212-A214 PolarHBondContact O-N 2.82Å |
| 215 | E | 44.5 | Very low | 51.5 | Low | 183 Ų | 183 | 131.4 Ų | 131.4 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -141.4 | 56.8 | -179.2 | -157.3 | 170.8 | -123.1 | 0 | 0 | 112.6 | E213 | E213-E215 PolarHBondContact O-N 3.27Š|
| 216 | V | 45.2 | Very low | 50.1 | Low | 132 Ų | 132 | 132.8 Ų | 132.8 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | | | trans | -124.1 | 85.8 | 150.6 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | A218 | V216-A218 PolarHBondContact O-N 3.16Å; V216-A218 VanDerWaalsContact O-N 3.12Å |
| 217 | E | 43.2 | Very low | 48.5 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | | | trans | -61.6 | 103.1 | 161.6 | -179.3 | 173.7 | -126.1 | 0 | 0 | 108.7 | | |
| 218 | A | 45.1 | Very low | 47.4 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | | | trans | -104.1 | 102.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V216 A220 | V216-A218 PolarHBondContact O-N 3.16Å; V216-A218 VanDerWaalsContact O-N 3.12Å; A218-A220 PolarHBondContact O-N 2.99Å |
| 219 | E | 46.8 | Very low | 46.3 | Very low | 196 Ų | 196 | 137.8 Ų | 137.8 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -54.2 | 125.8 | -178.7 | -66.8 | -175.4 | 124.9 | 0 | 0 | 112.3 | | |
| 220 | A | 43.3 | Very low | 45.5 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | -141.8 | 25 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A218 L222 | A218-A220 PolarHBondContact O-N 2.99Å; A220-L222 PolarHBondContact O-N 3.31Å; A220-L222 VanDerWaalsContact O-N 3.16Å |
| 221 | E | 43.3 | Very low | 45.3 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | -71.1 | 100.7 | 161.3 | -84 | -150.8 | 136.2 | 0 | 0 | 109.7 | | |
| 222 | L | 43 | Very low | 45.6 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | | | trans | -141.7 | 146.3 | 155.8 | -77.4 | -177.3 | 0 | 0 | 0 | 110.5 | A220 | A220-L222 PolarHBondContact O-N 3.31Å; A220-L222 VanDerWaalsContact O-N 3.16Å |
| 223 | A | 36.6 | Very low | 45.9 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | 67.7 | 66.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 224 | L | 39.8 | Very low | 46.2 | Very low | 147 Ų | 147 | 140 Ų | 140 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | trans | -64.1 | 157.4 | 152.2 | -91.9 | 161.9 | 0 | 0 | 0 | 112.2 | | |
| 225 | V | 41.6 | Very low | 46.4 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | 76.1 | 141.9 | 146.4 | 149.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 226 | P | 51.8 | Low | 46.9 | Very low | 88 Ų | 88 | 138 Ų | 138 | 57% | 0.571 | 79% | 0.788 | S | S | * | * | | | cis | -143.2 | -166.1 | -26.6 | 44.1 | -26 | 0 | 0 | 0 | 114.5 | | |
| 227 | E | 45.8 | Very low | 47.2 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | | | trans | 64.9 | 157.9 | 153.5 | -76.2 | 170.7 | 78.2 | 0 | 0 | 118.4 | | |
| 228 | E | 45.8 | Very low | 47.7 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | cis | -151.1 | 170.8 | 4.3 | -129.2 | -76.4 | 75.9 | 0 | 0 | 110.1 | | |
| 229 | A | 44.6 | Very low | 48 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | | | trans | 21.7 | 124.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 230 | G | 43.2 | Very low | 48.1 | Very low | 67 Ų | 67 | 138.8 Ų | 138.8 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | -170.9 | 5.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | E232 | G230-E232 VanDerWaalsContact C-N 3.32Å; G230-E232 PolarHBondContact O-N 3.18Å |
| 231 | V | 53.4 | Low | 48 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 92% | 0.915 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 54.3 | -168.8 | -70.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 232 | E | 54.4 | Low | 48.1 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.2 | -19 | 166.3 | -127.3 | 177.1 | 159.9 | 0 | 0 | 116.9 | G230 L234 | G230-E232 VanDerWaalsContact C-N 3.32Å; G230-E232 PolarHBondContact O-N 3.18Å; E232-L234 PolarHBondContact O-N 2.93Å |
| 233 | Q | 55.3 | Low | 48.6 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -7.8 | -165.3 | -165.6 | 161.6 | -12.4 | 0 | 0 | 116.5 | | |
| 234 | L | 51 | Low | 49 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 3.8 | -178.5 | -66.2 | -178.9 | 0 | 0 | 0 | 115.2 | E232 | E232-L234 PolarHBondContact O-N 2.93Š|
| 235 | Q | 55.8 | Low | 49.3 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -92.8 | -4.6 | 177.8 | -63.1 | -179.3 | 25.3 | 0 | 0 | 113.5 | | |
| 236 | A | 55.3 | Low | 49.8 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 4.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 237 | L | 52.6 | Low | 49.6 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | 26.9 | -173.5 | -67.9 | 177.1 | 0 | 0 | 0 | 114.4 | | |
| 238 | L | 52.8 | Low | 49.9 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 80% | 0.796 | 82% | 0.817 | S | S | * | * | | | trans | -109.8 | 116.8 | 172.3 | -84.5 | 165.5 | 0 | 0 | 0 | 111.3 | L240 | L238-L240 PolarHBondContact O-N 3.12Š|
| 239 | P | 51.1 | Low | 50 | Low | 128 Ų | 128 | 132.4 Ų | 132.4 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | | | trans | -67.4 | 117.3 | 175.1 | -21.5 | 34 | 0 | 0 | 0 | 112.5 | A241 | P239-A241 PolarHBondContact O-N 2.98Š|
| 240 | L | 50.8 | Low | 50.5 | Low | 180 Ų | 180 | 136.6 Ų | 136.6 | 94% | 0.942 | 83% | 0.83 | S | S | * | * | | | trans | -91.9 | 87.3 | 176.3 | -178 | 68.9 | 0 | 0 | 0 | 111.3 | L238 | L238-L240 PolarHBondContact O-N 3.12Š|
| 241 | A | 40 | Very low | 51.3 | Low | 101 Ų | 101 | 139 Ų | 139 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | | | trans | -163.9 | 139.9 | 165 | 0 | 0 | 0 | 0 | 0 | 112.3 | P239 | P239-A241 PolarHBondContact O-N 2.98Š|
| 242 | G | 45.1 | Very low | 50.8 | Low | 81 Ų | 81 | 137.6 Ų | 137.6 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | | | trans | 118.7 | 69 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 243 | E | 53.5 | Low | 50.7 | Low | 189 Ų | 189 | 135.8 Ų | 135.8 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | | | trans | -76.9 | 128.9 | 162.5 | 178.5 | -169.4 | 168 | 0 | 0 | 110.3 | | |
| 244 | L | 44.7 | Very low | 50.2 | Low | 174 Ų | 174 | 132.4 Ų | 132.4 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | | | trans | -174.6 | 120.5 | 154.2 | -109.3 | 161 | 0 | 0 | 0 | 113.9 | | |
| 245 | G | 47.3 | Very low | 49.8 | Very low | 66 Ų | 66 | 130.5 Ų | 130.5 | 68% | 0.68 | 83% | 0.825 | S | S | * | * | | | trans | 88.3 | 120.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 246 | P | 51 | Low | 49.6 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | | | trans | -84.6 | 127.2 | 170.5 | 32.7 | -31.8 | 0 | 0 | 0 | 112.2 | | |
| 247 | G | 47.4 | Very low | 49.2 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 84% | 0.835 | S | S | * | * | | | trans | -143.1 | 134.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 248 | L | 53.4 | Low | 48.5 | Very low | 187 Ų | 187 | 131.5 Ų | 131.5 | 98% | 0.979 | 83% | 0.832 | S | S | * | * | | | trans | -84.4 | 115.5 | -173.5 | -68.1 | 168.5 | 0 | 0 | 0 | 112.6 | | |
| 249 | A | 46.4 | Very low | 48.2 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | | | trans | -156.3 | 127.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 250 | L | 56.4 | Low | 47.9 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 90% | 0.895 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 129.8 | 166.6 | -79.4 | 167.2 | 0 | 0 | 0 | 109 | | |
| 251 | P | 60.4 | Low | 47.8 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 125.7 | 176.1 | 30.6 | -32.7 | 0 | 0 | 0 | 111.2 | | |
| 252 | C | 41 | Very low | 47.9 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 134.5 | 168.4 | -64.6 | 0 | 0 | 0 | 0 | 110.3 | S254 | C252-S254 PolarHBondContact O-N 2.74Š|
| 253 | P | 53.5 | Low | 47.9 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | | | trans | -79.5 | 110.3 | 171.6 | 30.9 | -31.8 | 0 | 0 | 0 | 110.8 | | |
| 254 | S | 43.6 | Very low | 47.2 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 143.4 | 160.5 | -75.9 | 0 | 0 | 0 | 0 | 110 | C252 L256 | C252-S254 PolarHBondContact O-N 2.74Å; S254-L256 PolarHBondContact O-N 2.75Å |
| 255 | P | 44.6 | Very low | 47 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 130.8 | 178.4 | 28.4 | -34.1 | 0 | 0 | 0 | 110.8 | | |
| 256 | L | 51.3 | Low | 46.7 | Very low | 169 Ų | 169 | 133 Ų | 133 | 89% | 0.885 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 138.8 | 174.1 | -71.4 | 175.1 | 0 | 0 | 0 | 110.9 | S254 T258 | S254-L256 PolarHBondContact O-N 2.75Å; L256-T258 PolarHBondContact O-N 2.98Å |
| 257 | V | 45.3 | Very low | 46.1 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 128.1 | 177.4 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | P259 | V257-P259 WeakPolarHBondContact O-CD 3.43Š|
| 258 | T | 38.7 | Very low | 45.9 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 121.3 | 168.7 | 46.7 | 0 | 0 | 0 | 0 | 110.4 | L256 I260 | L256-T258 PolarHBondContact O-N 2.98Å; T258-I260 PolarHBondContact O-N 2.83Å |
| 259 | P | 46.3 | Very low | 45.3 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 127.6 | 177.4 | -18.9 | 32.6 | 0 | 0 | 0 | 111.6 | V257 H261 | V257-P259 WeakPolarHBondContact O-CD 3.43Å; P259-H261 PolarHBondContact O-N 2.9Å |
| 260 | I | 46 | Very low | 45.3 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | | | trans | -77.6 | 112.7 | 166.1 | -62.7 | 173.5 | 0 | 0 | 0 | 107.2 | T258 A262 | T258-I260 PolarHBondContact O-N 2.83Å; I260-A262 PolarHBondContact O-N 2.8Å |
| 261 | H | 46.9 | Very low | 45.2 | Very low | 170 Ų | 170 | 129.6 Ų | 129.6 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | | | trans | -72.3 | 108 | 174.7 | -79.9 | -85.8 | 0 | 0 | 0 | 110.3 | P259 | P259-H261 PolarHBondContact O-N 2.9Š|
| 262 | A | 42.1 | Very low | 44.7 | Very low | 96 Ų | 96 | 133.6 Ų | 133.6 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | | | trans | -70 | 128.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I260 | I260-A262 PolarHBondContact O-N 2.8Š|
| 263 | L | 46.2 | Very low | 44.9 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -105.9 | 137 | 161.5 | -63.8 | -178.7 | 0 | 0 | 0 | 108.4 | | |
| 264 | A | 37.6 | Very low | 45.1 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -78.4 | 145.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 265 | P | 40.6 | Very low | 45.4 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -73.8 | 136.9 | 176.6 | 30.5 | -34.2 | 0 | 0 | 0 | 111.4 | | |
| 266 | L | 40.8 | Very low | 45.3 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | -121.4 | 109.8 | 175.3 | 177.4 | 67 | 0 | 0 | 0 | 110.3 | | |
| 267 | G | 39.5 | Very low | 45.2 | Very low | 68 Ų | 68 | 129.4 Ų | 129.4 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | trans | 70.4 | 95.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 268 | E | 43 | Very low | 45.2 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | | | trans | 73.9 | 141.4 | 139 | -112 | 169.3 | 61.5 | 0 | 0 | 122.7 | | |
| 269 | E | 41.2 | Very low | 45.6 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | 70.1 | 144.8 | 161.6 | -65.7 | -52.4 | 108.3 | 0 | 0 | 123.6 | | |
| 270 | A | 46.3 | Very low | 45.8 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | | | trans | 53.9 | 98.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 271 | G | 55.2 | Low | 45.7 | Very low | 86 Ų | 86 | 126.5 Ų | 126.5 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | -83.9 | 122.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 272 | E | 48.8 | Very low | 45.9 | Very low | 202 Ų | 202 | 125.1 Ų | 125.1 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | | | trans | -124.1 | 127.2 | 158.5 | -67.5 | -174.1 | 98.5 | 0 | 0 | 108.7 | | |
| 273 | E | 44.3 | Very low | 46 | Very low | 163 Ų | 163 | 125 Ų | 125 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | -114.2 | 132.2 | 177.1 | -165 | -72.5 | 137.3 | 0 | 0 | 108.8 | G275 | E273-G275 VanDerWaalsContact CD-N 3.27Å; E273-G275 WeakPolarHBondContact OE1-CA 3.47Å; E273-G275 PolarHBondContact OE1-N 2.92Å; E273-G275 VanDerWaalsContact OE1-N 3.08Å; E273-G275 WeakPolarHBondContact OE2-CA 3.27Å; E273-G275 PolarHBondContact OE2-N 3.16Å |
| 274 | A | 57.8 | Low | 46.1 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | | | trans | -111.2 | 53.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 275 | G | 51.8 | Low | 46.9 | Very low | 52 Ų | 52 | 127.2 Ų | 127.2 | 54% | 0.536 | 79% | 0.79 | S | S | . | * | | | trans | -114.2 | -5.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | E273 L277 | E273-G275 VanDerWaalsContact CD-N 3.27Å; E273-G275 WeakPolarHBondContact OE1-CA 3.47Å; E273-G275 PolarHBondContact OE1-N 2.92Å; E273-G275 VanDerWaalsContact OE1-N 3.08Å; E273-G275 WeakPolarHBondContact OE2-CA 3.27Å; E273-G275 PolarHBondContact OE2-N 3.16Å; G275-L277 PolarHBondContact O-N 3.15Å |
| 276 | G | 41.7 | Very low | 47.4 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | -80.3 | 108.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 277 | L | 49.6 | Very low | 47.9 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -54.8 | 134.2 | 160.9 | -70 | 176.5 | 0 | 0 | 0 | 109.3 | G275 S279 | G275-L277 PolarHBondContact O-N 3.15Å; L277-S279 PolarHBondContact O-N 3.18Å |
| 278 | P | 44.7 | Very low | 49 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | trans | -68.1 | 91.4 | 165.3 | 29.1 | -32.4 | 0 | 0 | 0 | 107.8 | L280 | P278-L280 PolarHBondContact O-N 2.9Š|
| 279 | S | 47.6 | Very low | 50.2 | Low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | trans | -51.8 | 139.2 | 163.9 | 56 | 0 | 0 | 0 | 0 | 107.7 | L277 G281 | L277-S279 PolarHBondContact O-N 3.18Å; S279-G281 PolarHBondContact O-N 3.49Å |
| 280 | L | 51.1 | Low | 51.6 | Low | 176 Ų | 176 | 124.6 Ų | 124.6 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | | | trans | -77.2 | 60.4 | -173.5 | -160.6 | 116.8 | 0 | 0 | 0 | 110.6 | P278 V282 | P278-L280 PolarHBondContact O-N 2.9Å; L280-V282 PolarHBondContact O-N 2.75Å |
| 281 | G | 42.7 | Very low | 53.4 | Low | 56 Ų | 56 | 124.7 Ų | 124.7 | 58% | 0.577 | 74% | 0.744 | S | S | * | * | | | trans | -56 | 120.8 | 172 | 0 | 0 | 0 | 0 | 0 | 108.5 | S279 S283 | S279-G281 PolarHBondContact O-N 3.49Å; G281-S283 PolarHBondContact O-N 3.23Å |
| 282 | V | 51.7 | Low | 54.7 | Low | 140 Ų | 140 | 129.1 Ų | 129.1 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | | | trans | -55 | 108.4 | 171.9 | 177.6 | 0 | 0 | 0 | 0 | 106.4 | L280 D284 | L280-V282 PolarHBondContact O-N 2.75Å; V282-D284 PolarHBondContact O-N 3.36Å |
| 283 | S | 44.3 | Very low | 56.3 | Low | 93 Ų | 93 | 123.5 Ų | 123.5 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | | | trans | -57.4 | 124.5 | -158.7 | 50.2 | 0 | 0 | 0 | 0 | 111.4 | G281 H285 | G281-S283 PolarHBondContact O-N 3.23Å; S283-H285 PolarHBondContact O-N 3.34Å; S283-H285 VanDerWaalsContact O-N 3.15Å |
| 284 | D | 48.6 | Very low | 58.3 | Low | 151 Ų | 151 | 119.1 Ų | 119.1 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | | | trans | -48.3 | 125.2 | -178.8 | -85.2 | -66.4 | 0 | 0 | 0 | 110.1 | V282 H286 | V282-D284 PolarHBondContact O-N 3.36Å; D284-H286 PolarHBondContact O-N 3.1Å; D284-H286 PolarHBondContact O-ND1 2.82Å; D284-H286 VanDerWaalsContact O-ND1 3.14Å |
| 285 | H | 53.8 | Low | 59.9 | Low | 159 Ų | 159 | 117.7 Ų | 117.7 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | | | trans | -48.4 | 102.2 | -167.2 | -72.8 | -75 | 0 | 0 | 0 | 110.7 | S283 K287 | S283-H285 PolarHBondContact O-N 3.34Å; S283-H285 VanDerWaalsContact O-N 3.15Å; H285-K287 WeakPolarHBondContact O-CG 3.49Å; H285-K287 PolarHBondContact O-N 3.29Å |
| 286 | H | 50.3 | Low | 61.6 | Low | 161 Ų | 161 | 119.7 Ų | 119.7 | 75% | 0.745 | 68% | 0.682 | S | S | * | * | | | trans | -56.6 | 106.4 | -179.7 | -86.4 | 34.8 | 0 | 0 | 0 | 109 | D284 A288 | D284-H286 PolarHBondContact O-N 3.1Å; D284-H286 PolarHBondContact O-ND1 2.82Å; D284-H286 VanDerWaalsContact O-ND1 3.14Å; H286-A288 PolarHBondContact O-N 3.37Å |
| 287 | K | 51.9 | Low | 63.9 | Low | 188 Ų | 188 | 120 Ų | 120 | 82% | 0.817 | 67% | 0.667 | S | S | * | * | | | trans | -77.9 | 46.1 | 175.3 | -59.2 | -56.1 | -179.7 | -178.1 | 0 | 111.1 | H285 | H285-K287 WeakPolarHBondContact O-CG 3.49Å; H285-K287 PolarHBondContact O-N 3.29Å |
| 288 | A | 63 | Low | 65.9 | Low | 68 Ų | 68 | 115.5 Ų | 115.5 | 56% | 0.562 | 64% | 0.643 | S | S | * | * | | | trans | -59.3 | 132.9 | 145.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | H286 V290 | H286-A288 PolarHBondContact O-N 3.37Å; A288-V290 HydrophobicContact CB-CG2 4.39Å; A288-V290 PolarHBondContact O-N 3.22Å |
| 289 | E | 67.7 | Low | 67.9 | Low | 197 Ų | 197 | 113.4 Ų | 113.4 | 92% | 0.921 | 63% | 0.625 | S | S | * | * | | | trans | -75.8 | 75.7 | 175.5 | -167.2 | 171.1 | 175.2 | 0 | 0 | 109.2 | D291 | E289-D291 PolarHBondContact O-N 3.26Å; E289-D291 VanDerWaalsContact O-N 3.15Å |
| 290 | V | 70.6 | Confident | 70 | Confident | 61 Ų | 61 | 114.1 Ų | 114.1 | 37% | 0.37 | 62% | 0.615 | S | S | . | * | | | trans | -65.1 | 109.6 | 170.2 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | A288 T294 Q295 I298 | A288-V290 HydrophobicContact CB-CG2 4.39Å; A288-V290 PolarHBondContact O-N 3.22Å; V290-T294 VanDerWaalsContact CG1-OG1 3.26Å; V290-T294 WeakPolarHBondContact CG1-OG1 3.4Å; V290-Q295 HydrophobicContact CG1-CB 3.92Å; V290-I298 HydrophobicContact CG1-CD1 4.14Å |
| 291 | D | 84.6 | Confident | 71.9 | Confident | 93 Ų | 93 | 111.1 Ų | 111.1 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | | | trans | -51.7 | 150.5 | 175.1 | 172 | 58.6 | 0 | 0 | 0 | 111.4 | E289 S293 T294 Q295 | E289-D291 PolarHBondContact O-N 3.26Å; E289-D291 VanDerWaalsContact O-N 3.15Å; D291-S293 PolarHBondContact O-N 3.19Å; D291-S293 VanDerWaalsContact O-N 3.15Å; D291-S293 WeakPolarHBondContact OD2-CA 3.38Å; D291-S293 WeakPolarHBondContact OD2-CB 3.47Å; D291-S293 PolarHBondContact OD2-N 3.27Å; D291-T294 PolarHBondContact N-OG1 2.88Å; D291-T294 VanDerWaalsContact N-OG1 3.16Å; D291-T294 PolarHBondContact O-N 2.89Å; D291-T294 PolarHBondContact O-OG1 2.86Å; D291-Q295 PolarHBondContact O-N 2.81Å |
| 292 | K | 83 | Confident | 74.1 | Confident | 180 Ų | 180 | 113.3 Ų | 113.3 | 78% | 0.783 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59 | -31.3 | -177.4 | -65.9 | 170.8 | -175.8 | 169.9 | 0 | 112.3 | V296 | K292-V296 WeakPolarHBondContact O-CB 3.26Å; K292-V296 VanDerWaalsContact O-CG2 3.24Å; K292-V296 WeakPolarHBondContact O-CG2 3.13Å; K292-V296 PolarHBondContact O-N 3.14Å |
| 293 | S | 82 | Confident | 75.7 | Confident | 84 Ų | 84 | 110.6 Ų | 110.6 | 59% | 0.587 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.8 | -34.7 | 173.5 | -167.9 | 0 | 0 | 0 | 0 | 112.6 | D291 D297 | D291-S293 PolarHBondContact O-N 3.19Å; D291-S293 VanDerWaalsContact O-N 3.15Å; D291-S293 WeakPolarHBondContact OD2-CA 3.38Å; D291-S293 WeakPolarHBondContact OD2-CB 3.47Å; D291-S293 PolarHBondContact OD2-N 3.27Å; S293-D297 PolarHBondContact O-N 3.03Å; S293-D297 VanDerWaalsContact O-N 3.15Å |
| 294 | T | 85.8 | Confident | 77.5 | Confident | 71 Ų | 71 | 111.7 Ų | 111.7 | 44% | 0.436 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -77.6 | -34.6 | 178.7 | 48.1 | 0 | 0 | 0 | 0 | 111.7 | V290 D291 D297 I298 | V290-T294 VanDerWaalsContact CG1-OG1 3.26Å; V290-T294 WeakPolarHBondContact CG1-OG1 3.4Å; D291-T294 PolarHBondContact N-OG1 2.88Å; D291-T294 VanDerWaalsContact N-OG1 3.16Å; D291-T294 PolarHBondContact O-N 2.89Å; D291-T294 PolarHBondContact O-OG1 2.86Å; T294-D297 PolarHBondContact O-N 3.14Å; T294-I298 WeakPolarHBondContact O-CD1 3.24Å; T294-I298 VanDerWaalsContact O-CG1 3.27Å; T294-I298 WeakPolarHBondContact O-CG1 3.48Å; T294-I298 PolarHBondContact O-N 2.93Å |
| 295 | Q | 90.8 | Very high | 79 | Confident | 78 Ų | 78 | 109.2 Ų | 109.2 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.7 | -47.5 | 171.4 | -176 | 61.1 | 48.3 | 0 | 0 | 111.1 | V290 D291 D297 I298 D299 | V290-Q295 HydrophobicContact CG1-CB 3.92Å; D291-Q295 PolarHBondContact O-N 2.81Å; Q295-D297 VanDerWaalsContact C-N 3.27Å; Q295-D297 PolarHBondContact O-N 3.15Å; Q295-I298 WeakPolarHBondContact O-CB 3.07Å; Q295-I298 PolarHBondContact O-N 2.9Å; Q295-D299 PolarHBondContact NE2-OD1 3.23Å; Q295-D299 PolarHBondContact NE2-OD2 2.71Å; Q295-D299 VanDerWaalsContact O-CG 3.24Å; Q295-D299 PolarHBondContact O-N 2.82Å |
| 296 | V | 89.3 | Confident | 80.1 | Confident | 95 Ų | 95 | 106.8 Ų | 106.8 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.8 | -33.9 | 177.7 | 167.9 | 0 | 0 | 0 | 0 | 112.1 | K292 K300 | K292-V296 WeakPolarHBondContact O-CB 3.26Å; K292-V296 VanDerWaalsContact O-CG2 3.24Å; K292-V296 WeakPolarHBondContact O-CG2 3.13Å; K292-V296 PolarHBondContact O-N 3.14Å; V296-K300 WeakPolarHBondContact O-CB 3.42Å; V296-K300 PolarHBondContact O-N 3.22Å |
| 297 | D | 90.1 | Very high | 81.4 | Confident | 78 Ų | 78 | 102.1 Ų | 102.1 | 42% | 0.417 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -73.1 | -37.4 | 175.8 | -158.7 | 55.3 | 0 | 0 | 0 | 112.6 | S293 T294 Q295 K300 M301 | S293-D297 PolarHBondContact O-N 3.03Å; S293-D297 VanDerWaalsContact O-N 3.15Å; T294-D297 PolarHBondContact O-N 3.14Å; Q295-D297 VanDerWaalsContact C-N 3.27Å; Q295-D297 PolarHBondContact O-N 3.15Å; D297-K300 PolarHBondContact O-N 3.37Å; D297-K300 IonicContact OD1-NZ 2.6Å; D297-K300 PolarHBondContact OD1-NZ 3.2Å; D297-M301 WeakPolarHBondContact O-CG 3.45Å; D297-M301 PolarHBondContact O-N 2.81Å |
| 298 | I | 89.7 | Confident | 82.5 | Confident | 67 Ų | 67 | 98.4 Ų | 98.4 | 34% | 0.344 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.9 | -51.2 | 171.5 | -69.1 | 162.7 | 0 | 0 | 0 | 110.3 | V290 T294 Q295 K300 M301 L302 | V290-I298 HydrophobicContact CG1-CD1 4.14Å; T294-I298 WeakPolarHBondContact O-CD1 3.24Å; T294-I298 VanDerWaalsContact O-CG1 3.27Å; T294-I298 WeakPolarHBondContact O-CG1 3.48Å; T294-I298 PolarHBondContact O-N 2.93Å; Q295-I298 WeakPolarHBondContact O-CB 3.07Å; Q295-I298 PolarHBondContact O-N 2.9Å; I298-K300 VanDerWaalsContact C-N 3.25Å; I298-K300 PolarHBondContact O-N 3.46Å; I298-M301 WeakPolarHBondContact O-CB 3.32Å; I298-M301 PolarHBondContact O-N 2.79Å; I298-M301 VanDerWaalsContact O-N 3.07Å; I298-L302 HydrophobicContact CG2-CD1 3.89Å; I298-L302 HydrophobicContact CG2-CG 4.38Å; I298-L302 WeakPolarHBondContact O-CG 3.46Å; I298-L302 PolarHBondContact O-N 2.89Å |
| 299 | D | 88.1 | Confident | 83.1 | Confident | 80 Ų | 80 | 103.6 Ų | 103.6 | 43% | 0.428 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.2 | -39.2 | 178.1 | -64.3 | -25.2 | 0 | 0 | 0 | 111 | Q295 L302 S303 | Q295-D299 PolarHBondContact NE2-OD1 3.23Å; Q295-D299 PolarHBondContact NE2-OD2 2.71Å; Q295-D299 VanDerWaalsContact O-CG 3.24Å; Q295-D299 PolarHBondContact O-N 2.82Å; D299-L302 PolarHBondContact O-N 3.37Å; D299-S303 VanDerWaalsContact O-CB 3.31Å; D299-S303 WeakPolarHBondContact O-CB 3.45Å; D299-S303 PolarHBondContact O-N 3.08Å |
| 300 | K | 90.4 | Very high | 83.8 | Confident | 121 Ų | 121 | 99.1 Ų | 99.1 | 53% | 0.526 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.9 | -36.4 | 175 | -173.7 | 179.2 | 111.4 | -62.5 | 0 | 112.9 | V296 D297 I298 | V296-K300 WeakPolarHBondContact O-CB 3.42Å; V296-K300 PolarHBondContact O-N 3.22Å; D297-K300 PolarHBondContact O-N 3.37Å; D297-K300 IonicContact OD1-NZ 2.6Å; D297-K300 PolarHBondContact OD1-NZ 3.2Å; I298-K300 VanDerWaalsContact C-N 3.25Å; I298-K300 PolarHBondContact O-N 3.46Å |
| 301 | M | 91.8 | Very high | 84.2 | Confident | 113 Ų | 113 | 101.2 Ų | 101.2 | 56% | 0.557 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67 | -47.8 | 171.8 | -72.7 | -158.7 | -61.6 | 0 | 0 | 111.1 | D297 I298 S303 V304 | D297-M301 WeakPolarHBondContact O-CG 3.45Å; D297-M301 PolarHBondContact O-N 2.81Å; I298-M301 WeakPolarHBondContact O-CB 3.32Å; I298-M301 PolarHBondContact O-N 2.79Å; I298-M301 VanDerWaalsContact O-N 3.07Å; M301-S303 VanDerWaalsContact C-N 3.32Å; M301-S303 PolarHBondContact O-N 3.37Å; M301-V304 PolarHBondContact O-N 3.12Å; M301-V304 VanDerWaalsContact O-N 3.14Å |
| 302 | L | 88.3 | Confident | 83.8 | Confident | 101 Ų | 101 | 102.3 Ų | 102.3 | 53% | 0.529 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.7 | -38.5 | -179.3 | -66.9 | 174.5 | 0 | 0 | 0 | 111.7 | I298 D299 V304 C305 T306 | I298-L302 HydrophobicContact CG2-CD1 3.89Å; I298-L302 HydrophobicContact CG2-CG 4.38Å; I298-L302 WeakPolarHBondContact O-CG 3.46Å; I298-L302 PolarHBondContact O-N 2.89Å; D299-L302 PolarHBondContact O-N 3.37Å; L302-V304 PolarHBondContact O-N 3.48Å; L302-C305 CarbonylContact O-C 3.57Å; L302-C305 WeakPolarHBondContact O-CA 3.36Å; L302-C305 WeakPolarHBondContact O-CB 3.4Å; L302-C305 PolarHBondContact O-N 3.45Å; L302-T306 PolarHBondContact O-N 3.42Å |
| 303 | S | 85.9 | Confident | 83.7 | Confident | 84 Ų | 84 | 101.2 Ų | 101.2 | 59% | 0.587 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63 | -18.7 | 176.3 | -176.6 | 0 | 0 | 0 | 0 | 114.5 | D299 M301 T306 | D299-S303 VanDerWaalsContact O-CB 3.31Å; D299-S303 WeakPolarHBondContact O-CB 3.45Å; D299-S303 PolarHBondContact O-N 3.08Å; M301-S303 VanDerWaalsContact C-N 3.32Å; M301-S303 PolarHBondContact O-N 3.37Å; S303-T306 PolarHBondContact O-OG1 2.94Å |
| 304 | V | 82.8 | Confident | 83.5 | Confident | 116 Ų | 116 | 102.1 Ų | 102.1 | 70% | 0.703 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -80.6 | -28.6 | 171 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | M301 L302 | M301-V304 PolarHBondContact O-N 3.12Å; M301-V304 VanDerWaalsContact O-N 3.14Å; L302-V304 PolarHBondContact O-N 3.48Å |
| 305 | C | 78.6 | Confident | 83.1 | Confident | 99 Ų | 99 | 104.6 Ų | 104.6 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -89.2 | -14.1 | -177.7 | -62.9 | 0 | 0 | 0 | 0 | 114.1 | L302 A307 | L302-C305 CarbonylContact O-C 3.57Å; L302-C305 WeakPolarHBondContact O-CA 3.36Å; L302-C305 WeakPolarHBondContact O-CB 3.4Å; L302-C305 PolarHBondContact O-N 3.45Å; C305-A307 PolarHBondContact O-N 3.31Å |
| 306 | T | 77.5 | Confident | 82.3 | Confident | 107 Ų | 107 | 109.3 Ų | 109.3 | 66% | 0.656 | 64% | 0.637 | S | S | * | * | | | trans | -73.1 | 13 | 177.6 | 46.6 | 0 | 0 | 0 | 0 | 114.9 | L302 S303 | L302-T306 PolarHBondContact O-N 3.42Å; S303-T306 PolarHBondContact O-OG1 2.94Å |
| 307 | A | 78.4 | Confident | 81 | Confident | 64 Ų | 64 | 115.8 Ų | 115.8 | 53% | 0.529 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -69 | 135.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | C305 L309 | C305-A307 PolarHBondContact O-N 3.31Å; A307-L309 PolarHBondContact O-N 3.37Å; A307-L309 VanDerWaalsContact O-N 3.08Å |
| 308 | P | 75.4 | Confident | 79.7 | Confident | 109 Ų | 109 | 124.7 Ų | 124.7 | 71% | 0.708 | 69% | 0.688 | S | S | * | * | | | trans | -58.1 | 115.6 | 175.3 | -25.7 | 35 | 0 | 0 | 0 | 111.6 | V310 | P308-V310 WeakPolarHBondContact CB-O 3.4Å; P308-V310 PolarHBondContact O-N 3.18Å; P308-V310 VanDerWaalsContact O-N 3.15Å |
| 309 | L | 75.3 | Confident | 79.2 | Confident | 178 Ų | 178 | 127.6 Ų | 127.6 | 93% | 0.932 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -65 | -15.5 | 179.5 | -63.3 | 177 | 0 | 0 | 0 | 113.3 | A307 | A307-L309 PolarHBondContact O-N 3.37Å; A307-L309 VanDerWaalsContact O-N 3.08Å |
| 310 | V | 81.3 | Confident | 78.7 | Confident | 103 Ų | 103 | 130.1 Ų | 130.1 | 62% | 0.624 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -128.5 | 134.7 | 173.6 | -173.4 | 0 | 0 | 0 | 0 | 107.2 | P308 | P308-V310 WeakPolarHBondContact CB-O 3.4Å; P308-V310 PolarHBondContact O-N 3.18Å; P308-V310 VanDerWaalsContact O-N 3.15Å |
| 311 | P | 78.9 | Confident | 78.1 | Confident | 105 Ų | 105 | 130.6 Ų | 130.6 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 140.9 | 171.5 | -24.1 | 34.1 | 0 | 0 | 0 | 110.6 | L313 | P311-L313 PolarHBondContact O-N 3.16Š|
| 312 | P | 77.2 | Confident | 77.3 | Confident | 115 Ų | 115 | 131.6 Ų | 131.6 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 129.3 | 174.5 | 25.2 | -33.6 | 0 | 0 | 0 | 109 | S314 | P312-S314 PolarHBondContact O-N 2.93Š|
| 313 | L | 79.7 | Confident | 76.6 | Confident | 157 Ų | 157 | 133.6 Ų | 133.6 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -55 | 135.3 | 178.1 | -64.6 | 177.4 | 0 | 0 | 0 | 109.3 | P311 | P311-L313 PolarHBondContact O-N 3.16Š|
| 314 | S | 78.4 | Confident | 76 | Confident | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | -46 | 139.9 | -173.7 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | P312 Q316 | P312-S314 PolarHBondContact O-N 2.93Å; S314-Q316 PolarHBondContact O-N 3.3Å |
| 315 | P | 77.1 | Confident | 75.5 | Confident | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | | | trans | -53.7 | 117.9 | -174.1 | 21.7 | -33.6 | 0 | 0 | 0 | 110.4 | Y317 | P315-Y317 PolarHBondContact O-N 3.41Š|
| 316 | Q | 73.9 | Confident | 75.3 | Confident | 177 Ų | 177 | 141.4 Ų | 141.4 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | | | trans | -63.7 | 112.3 | 177.3 | -68.9 | -177.7 | -5 | 0 | 0 | 108.3 | S314 K318 | S314-Q316 PolarHBondContact O-N 3.3Å; Q316-K318 PolarHBondContact O-N 3.25Å |
| 317 | Y | 62.2 | Low | 75.1 | Confident | 231 Ų | 231 | 144.3 Ų | 144.3 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | | | trans | -60.3 | 131.6 | 172 | -118.5 | -91.2 | 0 | 0 | 0 | 109 | P315 | P315-Y317 PolarHBondContact O-N 3.41Š|
| 318 | K | 63.1 | Low | 74.8 | Confident | 266 Ų | 266 | 151.5 Ų | 151.5 | 100% | 1.157 | 81% | 0.811 | S | S | * | * | | | trans | -106.7 | 0 | 170 | -69.5 | -174.1 | 175.9 | -175.6 | 0 | 109.2 | Q316 | Q316-K318 PolarHBondContact O-N 3.25Š|