| 1 | M | 33 | Very low | 32.2 | Very low | 224 Ų | 224 | 170.2 Ų | 170.2 | 100% | 1.103 | 81% | 0.807 | S | S | * | * | | | | 0 | 86.5 | 0 | -66.9 | 176.4 | -179.4 | 0 | 0 | 107.1 | | |
| 2 | D | 33.4 | Very low | 32.2 | Very low | 136 Ų | 136 | 166.6 Ų | 166.6 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | cis | 74.7 | 128.2 | 48.5 | -56.1 | -68.4 | 0 | 0 | 0 | 112.3 | | |
| 3 | N | 32.9 | Very low | 32 | Very low | 118 Ų | 118 | 161.5 Ų | 161.5 | 63% | 0.631 | 80% | 0.795 | S | S | * | * | | | cis | -153.1 | -175.2 | -15.4 | -138.7 | -51.9 | 0 | 0 | 0 | 111.7 | | |
| 4 | R | 33.4 | Very low | 31.5 | Very low | 208 Ų | 208 | 158 Ų | 158 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -48 | 156.1 | 168.1 | -63.9 | 160.2 | -164.4 | 174.3 | 5.3 | 111.3 | | |
| 5 | D | 36.9 | Very low | 31.5 | Very low | 158 Ų | 158 | 158.5 Ų | 158.5 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | cis | -138.1 | 169.2 | 44 | -108.5 | -53.9 | 0 | 0 | 0 | 118.4 | | |
| 6 | R | 35.7 | Very low | 31.4 | Very low | 206 Ų | 206 | 157.9 Ų | 157.9 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -143.7 | 136.6 | -162.9 | -120 | 178 | 177.2 | 177.1 | 1.6 | 112.4 | | |
| 7 | K | 34.7 | Very low | 31.3 | Very low | 174 Ų | 174 | 160.2 Ų | 160.2 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | | | trans | 71.7 | 145.5 | 160.4 | -59.2 | 169.1 | -179.4 | 177.4 | 0 | 114.2 | | |
| 8 | K | 34.5 | Very low | 31.2 | Very low | 185 Ų | 185 | 161.4 Ų | 161.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | cis | -152.7 | 115.2 | 8.3 | -134.4 | 171.4 | -176.8 | -172.3 | 0 | 109.8 | | |
| 9 | N | 24.4 | Very low | 31.2 | Very low | 167 Ų | 167 | 159.6 Ų | 159.6 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | trans | -95.9 | 137.3 | 151.5 | -87.1 | -14 | 0 | 0 | 0 | 107.7 | | |
| 10 | K | 32.1 | Very low | 31.2 | Very low | 197 Ų | 197 | 158.6 Ų | 158.6 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | | | trans | -158.3 | 111.5 | 157.4 | -119.9 | -161.8 | 175.9 | -157 | 0 | 111 | | |
| 11 | S | 23.7 | Very low | 31.1 | Very low | 99 Ų | 99 | 157.6 Ų | 157.6 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | | | trans | -81.4 | -172.4 | 147.8 | 48.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 12 | V | 32.1 | Very low | 31 | Very low | 127 Ų | 127 | 153.3 Ų | 153.3 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | trans | 72.8 | 124.1 | 176.4 | -170 | 0 | 0 | 0 | 0 | 112.8 | | |
| 13 | S | 28.8 | Very low | 30.9 | Very low | 100 Ų | 100 | 153.2 Ų | 153.2 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | | | cis | -155.5 | 179 | -4.3 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 14 | C | 25.2 | Very low | 30.7 | Very low | 113 Ų | 113 | 152.2 Ų | 152.2 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | | | trans | -58.1 | 153.2 | 154.7 | -50.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 15 | L | 31.4 | Very low | 30.8 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | -142.6 | 112.7 | 153.8 | -104.8 | 169.9 | 0 | 0 | 0 | 106.4 | | |
| 16 | D | 29.8 | Very low | 30.5 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -74.6 | 138.1 | 160.9 | -61.8 | -77.6 | 0 | 0 | 0 | 107.9 | | |
| 17 | E | 29.7 | Very low | 30.3 | Very low | 198 Ų | 198 | 144.9 Ų | 144.9 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | trans | -125.2 | 70.1 | 173.7 | -156 | 163.2 | -132.1 | 0 | 0 | 109.2 | | |
| 18 | Q | 30.2 | Very low | 30.2 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -116.1 | 114.2 | 162.1 | -76.9 | -169.5 | -16.9 | 0 | 0 | 108.8 | | |
| 19 | T | 31.1 | Very low | 30.3 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -167.1 | 107.4 | 141.3 | 16.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 20 | D | 30.5 | Very low | 30.8 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | 55.7 | 104.9 | 133.1 | -50.3 | -26.6 | 0 | 0 | 0 | 120.6 | T22 | D20-T22 PolarHBondContact O-N 3.27Š|
| 21 | T | 29.2 | Very low | 30.7 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -51.1 | 127.4 | 138.8 | 48.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 22 | T | 31.5 | Very low | 31 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | trans | -169.2 | 110.1 | 136.8 | 12 | 0 | 0 | 0 | 0 | 114 | D20 | D20-T22 PolarHBondContact O-N 3.27Š|
| 23 | T | 30.7 | Very low | 30.9 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | | | trans | -157.4 | 144.3 | 160 | 37.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 24 | S | 30 | Very low | 31 | Very low | 96 Ų | 96 | 145.5 Ų | 145.5 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | | | cis | -176.7 | 132.8 | -17.3 | 47.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 25 | V | 34.6 | Very low | 31.4 | Very low | 150 Ų | 150 | 145 Ų | 145 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -139.7 | 71.5 | 159 | -171.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 26 | N | 30 | Very low | 31.3 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | | | | 78.7 | 107.1 | 76.9 | -174.9 | 17.9 | 0 | 0 | 0 | 112.9 | | |
| 27 | L | 32.4 | Very low | 31.4 | Very low | 144 Ų | 144 | 144 Ų | 144 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | trans | 162.6 | 96.5 | 134.3 | -88.5 | 167.8 | 0 | 0 | 0 | 111.8 | | |
| 28 | N | 32.4 | Very low | 31.5 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | | 178.3 | 122.3 | 115.3 | -98.2 | -58.3 | 0 | 0 | 0 | 114.9 | | |
| 29 | K | 35.5 | Very low | 31.5 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | 49.8 | 113.2 | 139.7 | -71.3 | -178.9 | 166.9 | -173.7 | 0 | 122.9 | | |
| 30 | Q | 35 | Very low | 31.4 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | | | | 80.7 | 102.2 | 121 | -66.2 | 175.1 | -76.3 | 0 | 0 | 120.5 | | |
| 31 | N | 31.6 | Very low | 31.5 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | | | | 43.3 | 130.1 | 119 | -57.4 | 14 | 0 | 0 | 0 | 120.4 | | |
| 32 | N | 29.2 | Very low | 31.5 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | | | trans | -117.8 | 133.9 | 157.6 | -175.8 | 7.3 | 0 | 0 | 0 | 108.7 | | |
| 33 | M | 30.9 | Very low | 31.6 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | 167.7 | 151.9 | 157 | -94.2 | -76.8 | -94.1 | 0 | 0 | 112.9 | | |
| 34 | N | 30.3 | Very low | 31.6 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | | | trans | 88.9 | 110.3 | 156.9 | -72.3 | 7 | 0 | 0 | 0 | 124 | | |
| 35 | T | 33.5 | Very low | 31.6 | Very low | 102 Ų | 102 | 138 Ų | 138 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | | | | 73.6 | 103.6 | 125.9 | 60.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 36 | N | 29.2 | Very low | 31.2 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | | | | 169.4 | 124.3 | 119.5 | -85.1 | -9 | 0 | 0 | 0 | 107.8 | | |
| 37 | I | 32.7 | Very low | 31.1 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | | | cis | 107.9 | 119.8 | 21 | -62.2 | 171.7 | 0 | 0 | 0 | 113.7 | | |
| 38 | N | 30 | Very low | 31 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | trans | -20 | 144.2 | 174.7 | -45.1 | -12.1 | 0 | 0 | 0 | 121.4 | | |
| 39 | N | 30.7 | Very low | 31 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | | 172 | 117.6 | 114.9 | -84.8 | -3.4 | 0 | 0 | 0 | 109.8 | | |
| 40 | T | 30.4 | Very low | 30.8 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 64% | 0.644 | 72% | 0.724 | S | S | * | * | | | | 73.2 | 141.7 | 93.9 | 72 | 0 | 0 | 0 | 0 | 116.5 | | |
| 41 | D | 32 | Very low | 30.5 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | | | trans | 69.7 | 149 | 162.5 | -39.2 | -49.5 | 0 | 0 | 0 | 116.4 | | |
| 42 | E | 29.7 | Very low | 30.5 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | | | cis | -159.9 | -179.6 | -8.5 | -134 | -167.5 | 153.7 | 0 | 0 | 111.6 | | |
| 43 | I | 32.5 | Very low | 30.5 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 64% | 0.641 | 71% | 0.709 | S | S | * | * | | | trans | 66.1 | 93.7 | 147.9 | -68.2 | 164.9 | 0 | 0 | 0 | 120.6 | | |
| 44 | T | 30.8 | Very low | 30.3 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 73% | 0.73 | 70% | 0.696 | S | S | * | * | | | trans | 45.9 | 141.9 | 130.3 | 72.1 | 0 | 0 | 0 | 0 | 125.5 | | |
| 45 | S | 30.2 | Very low | 30.1 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | | | | 107 | 109.2 | 128.5 | 76.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 46 | N | 25.7 | Very low | 29.9 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 78% | 0.781 | 70% | 0.704 | S | S | * | * | | | | 67.5 | 149 | 123.9 | -62.4 | -9.9 | 0 | 0 | 0 | 123.6 | | |
| 47 | N | 27.8 | Very low | 29.9 | Very low | 144 Ų | 144 | 127 Ų | 127 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | | | trans | 71.7 | 99.2 | 153 | -69.6 | -13.6 | 0 | 0 | 0 | 120.1 | | |
| 48 | S | 30.9 | Very low | 30.1 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | | | | 84.3 | 159 | 127.8 | 89.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 49 | N | 33.2 | Very low | 29.9 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | | | cis | -150.2 | 162.3 | 10.7 | -136.2 | -28 | 0 | 0 | 0 | 112.1 | | |
| 50 | N | 31 | Very low | 29.8 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 54% | 0.535 | 69% | 0.692 | S | S | . | * | | | trans | 34.2 | 116.8 | 154.7 | -69.2 | -44.7 | 0 | 0 | 0 | 120.2 | | |
| 51 | K | 27.7 | Very low | 29.6 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 70% | 0.704 | 69% | 0.694 | S | S | * | * | | | | 68.5 | 156.7 | 84 | -67.5 | 177.4 | -165 | 157.9 | 0 | 114.8 | | |
| 52 | H | 31.4 | Very low | 29.7 | Very low | 140 Ų | 140 | 119.8 Ų | 119.8 | 65% | 0.648 | 69% | 0.691 | S | S | * | * | | | trans | 71.4 | 139.9 | 161.8 | -69.1 | -68.2 | 0 | 0 | 0 | 115.7 | | |
| 53 | F | 29.2 | Very low | 29.8 | Very low | 166 Ų | 166 | 116.8 Ų | 116.8 | 73% | 0.728 | 69% | 0.688 | S | S | * | * | | | cis | -163.2 | 164.1 | -18.1 | -139.8 | -152.5 | 0 | 0 | 0 | 111.1 | | |
| 54 | T | 26.5 | Very low | 30 | Very low | 90 Ų | 90 | 115.6 Ų | 115.6 | 55% | 0.552 | 69% | 0.688 | S | S | * | * | | | trans | 35.2 | 133.2 | 146 | 54.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 55 | T | 26.1 | Very low | 30 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 74% | 0.742 | 70% | 0.695 | S | S | * | * | | | trans | 72.7 | 150 | 135 | 55.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 56 | S | 30.5 | Very low | 29.7 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | | | trans | 71.1 | 144.8 | 166.7 | 73.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 57 | S | 28.2 | Very low | 30 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | | | cis | 64.4 | 167.6 | 26 | -38.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 58 | P | 38.2 | Very low | 30 | Very low | 98 Ų | 98 | 123 Ų | 123 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | | | cis | -72.5 | 176.4 | -17.9 | -7.9 | 28.7 | 0 | 0 | 0 | 111.1 | | |
| 59 | S | 25.9 | Very low | 29.9 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | | | cis | 65.9 | -176.9 | 38.2 | 134.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 60 | T | 28.1 | Very low | 29.9 | Very low | 103 Ų | 103 | 123.6 Ų | 123.6 | 63% | 0.632 | 72% | 0.715 | S | S | * | * | | | trans | 58 | 100.7 | -177.7 | 49.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 61 | S | 26.1 | Very low | 29.6 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | | | | 64.9 | 143.2 | 70 | 83.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 62 | S | 33.9 | Very low | 29.5 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | | | cis | -144.7 | 163.2 | 30.8 | 66.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 63 | S | 31.1 | Very low | 29.8 | Very low | 99 Ų | 99 | 123 Ų | 123 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | | | cis | 60.6 | 168 | 35.1 | -35.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 64 | P | 36.8 | Very low | 30 | Very low | 100 Ų | 100 | 121 Ų | 121 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | | | cis | -121.8 | 162.4 | -47.7 | 34.9 | -22.9 | 0 | 0 | 0 | 112.3 | | |
| 65 | K | 31.8 | Very low | 30.3 | Very low | 202 Ų | 202 | 121.2 Ų | 121.2 | 88% | 0.878 | 74% | 0.737 | S | S | * | * | | | trans | -168 | 120 | 151.6 | -97.6 | 136.7 | -172.7 | 173.4 | 0 | 105.5 | | |
| 66 | M | 24.3 | Very low | 30.4 | Very low | 176 Ų | 176 | 121.6 Ų | 121.6 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | | | cis | 59.1 | 66.1 | 29.3 | -73 | -165.3 | 74.3 | 0 | 0 | 114.5 | | |
| 67 | K | 32.1 | Very low | 30.6 | Very low | 198 Ų | 198 | 124.5 Ų | 124.5 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | | | | -139.5 | 131.9 | 125.9 | -79.3 | -178 | 178.5 | 178.2 | 0 | 105.3 | | |
| 68 | A | 27.1 | Very low | 31.2 | Very low | 84 Ų | 84 | 124 Ų | 124 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | | | cis | 73.5 | 131.5 | 38.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 69 | L | 28.4 | Very low | 30.9 | Very low | 180 Ų | 180 | 122.4 Ų | 122.4 | 94% | 0.942 | 72% | 0.715 | S | S | * | * | | | trans | 73.6 | 156.3 | -178.6 | -48.6 | 168.3 | 0 | 0 | 0 | 115 | | |
| 70 | G | 32.5 | Very low | 31.4 | Very low | 64 Ų | 64 | 122.9 Ų | 122.9 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | | | trans | 83.9 | 96 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 71 | T | 26.6 | Very low | 31.6 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | | | cis | 54.4 | 119.6 | 29.5 | 69.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 72 | T | 25.6 | Very low | 32 | Very low | 132 Ų | 132 | 124.6 Ų | 124.6 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | | | trans | 79.5 | 162.9 | 157 | -38.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 73 | I | 35.8 | Very low | 32 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 67% | 0.672 | 71% | 0.712 | S | S | * | * | | | trans | 73.6 | 87.4 | 172.8 | -44.8 | -178.5 | 0 | 0 | 0 | 114 | P75 | I73-P75 HydrophobicContact CG2-CB 4.04Å; I73-P75 HydrophobicContact CG2-CG 4.01Å; I73-P75 WeakPolarHBondContact O-CD 3.35Å |
| 74 | T | 34.7 | Very low | 32.3 | Very low | 122 Ų | 122 | 126 Ų | 126 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | | | trans | -65.4 | 123.3 | 131.1 | 37.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 75 | P | 32.7 | Very low | 32 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 62% | 0.623 | 72% | 0.718 | S | S | * | * | | | trans | -102.9 | 117.1 | 163.2 | 24.4 | -7 | 0 | 0 | 0 | 108.8 | I73 | I73-P75 HydrophobicContact CG2-CB 4.04Å; I73-P75 HydrophobicContact CG2-CG 4.01Å; I73-P75 WeakPolarHBondContact O-CD 3.35Å |
| 76 | I | 28.1 | Very low | 31.8 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | | | | 81.2 | 105.8 | 92.7 | -72.9 | 166.1 | 0 | 0 | 0 | 112 | | |
| 77 | K | 35.1 | Very low | 32.1 | Very low | 162 Ų | 162 | 128 Ų | 128 | 70% | 0.704 | 71% | 0.714 | S | S | * | * | | | trans | 78.9 | 111.9 | 145.6 | -66.5 | 172.6 | -171.8 | 174.5 | 0 | 121.4 | | |
| 78 | T | 41.1 | Very low | 32 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 57% | 0.571 | 71% | 0.707 | S | S | * | * | | | | -66 | 133.4 | 97.1 | 49.2 | 0 | 0 | 0 | 0 | 109 | | |
| 79 | P | 31.6 | Very low | 32.2 | Very low | 64 Ų | 64 | 129.6 Ų | 129.6 | 42% | 0.416 | 72% | 0.716 | S | S | . | * | | | | -145.6 | -142.5 | 55.7 | 45.4 | -23.6 | 0 | 0 | 0 | 110.8 | V81 | P79-V81 HydrophobicContact CB-CB 4.26Å; P79-V81 HydrophobicContact CB-CG2 3.63Å; P79-V81 HydrophobicContact CG-CB 4.37Å; P79-V81 HydrophobicContact CG-CG2 3.7Å |
| 80 | P | 36.6 | Very low | 32.3 | Very low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | | | cis | -78.1 | 152.3 | 15.1 | -15.4 | 33.3 | 0 | 0 | 0 | 114.3 | | |
| 81 | V | 31.3 | Very low | 32.3 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 59% | 0.588 | 72% | 0.716 | S | S | * | * | | | cis | 73.7 | 85.1 | 33.4 | 174 | 0 | 0 | 0 | 0 | 112.6 | P79 | P79-V81 HydrophobicContact CB-CB 4.26Å; P79-V81 HydrophobicContact CB-CG2 3.63Å; P79-V81 HydrophobicContact CG-CB 4.37Å; P79-V81 HydrophobicContact CG-CG2 3.7Å |
| 82 | N | 35 | Very low | 32.4 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | | | | 179.6 | 130 | 102.7 | -98.4 | -24.7 | 0 | 0 | 0 | 114.6 | | |
| 83 | N | 34.5 | Very low | 32.7 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 58% | 0.583 | 71% | 0.707 | S | S | * | * | | | trans | -75.5 | 146.8 | 134.5 | -83.5 | -30.5 | 0 | 0 | 0 | 106.9 | | |
| 84 | P | 37.3 | Very low | 32.7 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | | | | -126.5 | 143.6 | 85.4 | 4.6 | 18.1 | 0 | 0 | 0 | 111.9 | | |
| 85 | V | 30.5 | Very low | 32.6 | Very low | 119 Ų | 119 | 130 Ų | 130 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | | | | 65.6 | 113.8 | 69.5 | -177.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 86 | R | 27.9 | Very low | 32.8 | Very low | 233 Ų | 233 | 130.8 Ų | 130.8 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | | | trans | -14.9 | 134 | 160.3 | -54 | 170.6 | 175.8 | -171 | -3.4 | 114.5 | | |
| 87 | Q | 30.6 | Very low | 32.8 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | | | | -166.9 | 145.2 | 76.3 | -91.5 | 179.8 | -31.7 | 0 | 0 | 114.2 | | |
| 88 | I | 28.4 | Very low | 32.5 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | | | trans | 32.6 | 102.9 | 134.1 | -43 | 168 | 0 | 0 | 0 | 118.3 | | |
| 89 | M | 31.6 | Very low | 32 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | | | | -167.6 | 168.9 | 113 | -109 | -169.6 | -79.9 | 0 | 0 | 112.6 | | |
| 90 | N | 29.9 | Very low | 31.8 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | | | trans | -83.3 | 144.8 | -165.9 | -55.7 | -39.4 | 0 | 0 | 0 | 113.8 | | |
| 91 | T | 33 | Very low | 31.6 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | | | | -178.6 | 134.8 | 109.2 | 25.5 | 0 | 0 | 0 | 0 | 114 | | |
| 92 | S | 30.1 | Very low | 31.7 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | | | trans | 24.5 | 113.5 | 155.7 | 56.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 93 | S | 30.8 | Very low | 31.6 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | | | | 164.9 | 144.8 | 95.1 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 94 | H | 36.3 | Very low | 31.3 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | | | trans | 59.8 | 138.4 | 172.6 | -51.2 | -71 | 0 | 0 | 0 | 117.5 | | |
| 95 | S | 31.7 | Very low | 31 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | cis | -150.9 | 155.9 | -16.3 | -80.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 96 | P | 36.3 | Very low | 30.9 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | -95.5 | 166.8 | -159.1 | 37.6 | -37.9 | 0 | 0 | 0 | 115.7 | | |
| 97 | L | 29.9 | Very low | 30.9 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 89% | 0.885 | 75% | 0.748 | S | S | * | * | | | cis | -161.6 | -175.5 | -13 | -112 | 168.6 | 0 | 0 | 0 | 110.8 | | |
| 98 | S | 27.3 | Very low | 30.8 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | trans | -138.9 | 144.6 | -165.9 | 60.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 99 | L | 31.9 | Very low | 30.9 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | | | trans | 42.5 | 130.8 | 145.9 | -68.6 | 159.5 | 0 | 0 | 0 | 122.6 | I341 | L99-I341 HydrophobicContact CB-CD1 3.7Å; L99-I341 WeakPolarHBondContact O-CD1 3.24Å; L99-I341 WeakPolarHBondContact O-CG2 3.44Å |
| 100 | S | 27.5 | Very low | 30.8 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 49% | 0.49 | 74% | 0.743 | S | S | . | * | | | trans | 43.8 | 171.5 | 157.1 | 24.9 | 0 | 0 | 0 | 0 | 120.4 | N340 I341 | S100-N340 WeakPolarHBondContact CB-O 3.37Å; S100-N340 PolarHBondContact OG-O 2.73Å; S100-N340 VanDerWaalsContact OG-O 3.12Å; S100-I341 VanDerWaalsContact O-CG2 3.24Å; S100-I341 WeakPolarHBondContact O-CG2 3.42Å |
| 101 | S | 32 | Very low | 30.9 | Very low | 61 Ų | 61 | 125.2 Ų | 125.2 | 43% | 0.427 | 74% | 0.739 | S | S | . | * | | | cis | -146.4 | -152.4 | -28 | 55.7 | 0 | 0 | 0 | 0 | 110 | I341 K342 | S101-I341 WeakPolarHBondContact CA-O 3.43Å; S101-I341 PolarHBondContact N-O 3.49Å; S101-I341 PolarHBondContact OG-N 3Å; S101-I341 PolarHBondContact OG-O 3.15Å; S101-K342 PolarHBondContact N-O 2.84Å |
| 102 | D | 32.8 | Very low | 30.6 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | | | trans | -82.7 | 133.9 | -158.7 | -49.1 | -75 | 0 | 0 | 0 | 116.4 | | |
| 103 | Q | 33 | Very low | 30.8 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | | | | -175.9 | 176.4 | 107.8 | -96.5 | -173.6 | 21.1 | 0 | 0 | 111.2 | | |
| 104 | S | 29.7 | Very low | 30.4 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | trans | -136.7 | 127.3 | -157.9 | 61 | 0 | 0 | 0 | 0 | 116 | | |
| 105 | T | 30.7 | Very low | 30.2 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 83% | 0.828 | 73% | 0.729 | S | S | * | * | | | trans | -152.4 | 113.4 | 155.1 | 1.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 106 | I | 27.7 | Very low | 30.2 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | | | trans | 8.4 | 125.7 | 144.6 | -57.3 | 161.8 | 0 | 0 | 0 | 117.8 | | |
| 107 | V | 28.9 | Very low | 29.8 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | | | | -161.4 | 130.6 | 125.5 | 137.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 108 | S | 28.2 | Very low | 29.8 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | | | trans | 60.7 | 118.2 | 155.1 | -70.2 | 0 | 0 | 0 | 0 | 124.6 | | |
| 109 | V | 29.3 | Very low | 30 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 75% | 0.745 | 72% | 0.72 | S | S | * | * | | | | 84.6 | 92.2 | 120.8 | 178.7 | 0 | 0 | 0 | 0 | 120 | | |
| 110 | K | 30.1 | Very low | 30.1 | Very low | 193 Ų | 193 | 128.1 Ų | 128.1 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | | | | 81.6 | 154.1 | 110.9 | -157.7 | 174.8 | -176.3 | 179.8 | 0 | 119.6 | | |
| 111 | A | 32.5 | Very low | 30.3 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | | | trans | 67.3 | 112 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 112 | S | 27.1 | Very low | 30.4 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | | | cis | 70.2 | 138.2 | 15.2 | -30.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 113 | Q | 33.2 | Very low | 30.4 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | 71 | 126.8 | 175.5 | -65.6 | 147.4 | -8.5 | 0 | 0 | 114.1 | I115 | Q113-I115 HydrophobicContact CG-CD1 4.23Š|
| 114 | N | 23.4 | Very low | 30.4 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | cis | 71.2 | 165.2 | 31.7 | -156.8 | 21.4 | 0 | 0 | 0 | 113 | | |
| 115 | I | 32 | Very low | 30.5 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 55% | 0.554 | 75% | 0.748 | S | S | * | * | | | trans | 87.3 | 102.5 | 168.8 | -58.4 | 165.7 | 0 | 0 | 0 | 115.2 | Q113 | Q113-I115 HydrophobicContact CG-CD1 4.23Š|
| 116 | D | 30.3 | Very low | 31 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | | | trans | 69.5 | 156.9 | 132.8 | -63.8 | 22.7 | 0 | 0 | 0 | 121.8 | | |
| 117 | S | 28.2 | Very low | 31.1 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | | | cis | -168.6 | 176.4 | -23 | -96.5 | 0 | 0 | 0 | 0 | 110 | | |
| 118 | E | 30.4 | Very low | 31.2 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | | | trans | 83.5 | 126.1 | 152.6 | -63.7 | -137.6 | 141.3 | 0 | 0 | 122.7 | | |
| 119 | N | 30.8 | Very low | 31.4 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 58% | 0.583 | 76% | 0.757 | S | S | * | * | | | trans | 81.9 | 104 | 132.6 | -79 | -48.5 | 0 | 0 | 0 | 123.4 | | |
| 120 | Q | 35.4 | Very low | 31.4 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | | | | 99.4 | 117.1 | 123.2 | -74.1 | 176.6 | 46.3 | 0 | 0 | 122.6 | | |
| 121 | N | 31.6 | Very low | 31.3 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | trans | 64.7 | 132.6 | 136 | -56.5 | -26.5 | 0 | 0 | 0 | 119.9 | | |
| 122 | G | 34.2 | Very low | 31.2 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | | | trans | -170.8 | -37 | 176.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 123 | Q | 31.2 | Very low | 31.4 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | | | trans | 67.7 | 148.5 | 173.7 | -118.7 | -176.2 | 10.7 | 0 | 0 | 119.4 | | |
| 124 | L | 32.9 | Very low | 31.2 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | | | trans | 83.4 | 121.2 | 152.1 | -70.6 | 167 | 0 | 0 | 0 | 122.9 | | |
| 125 | Q | 33.3 | Very low | 31.5 | Very low | 172 Ų | 172 | 131 Ų | 131 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | 84.4 | 138.3 | 153.3 | -61.5 | -176.6 | 25.7 | 0 | 0 | 120.9 | | |
| 126 | S | 41.1 | Very low | 31.5 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | 63 | 119.3 | -177.6 | 70.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 127 | S | 28.8 | Very low | 31.5 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | | | trans | -156.5 | 143.6 | -174.8 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 128 | S | 31.1 | Very low | 31.6 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | cis | -162.6 | 168.8 | -13.7 | 42.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 129 | S | 31.6 | Very low | 31.8 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -82.5 | -175.7 | -167.4 | 52.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 130 | S | 29.3 | Very low | 31.7 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -52.7 | 145.3 | -174.4 | 53 | 0 | 0 | 0 | 0 | 118.4 | | |
| 131 | L | 28.7 | Very low | 31.6 | Very low | 177 Ų | 177 | 134 Ų | 134 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | | | trans | 80.9 | 146.7 | 155.2 | -147.5 | 72.5 | 0 | 0 | 0 | 118.1 | | |
| 132 | A | 30.8 | Very low | 31.6 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | | | trans | 75.5 | 88.8 | 167 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 133 | Q | 31.7 | Very low | 31.5 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | | 57.9 | 138.1 | 125.3 | -65.5 | 178.9 | -11 | 0 | 0 | 123.4 | | |
| 134 | N | 27.9 | Very low | 31.7 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | 69.2 | 141.5 | 156 | -67.8 | -3.6 | 0 | 0 | 0 | 118.4 | | |
| 135 | T | 30.9 | Very low | 31.8 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 61% | 0.613 | 77% | 0.768 | S | S | * | * | | | cis | -163.7 | 148.7 | -9.4 | 11.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 136 | N | 31.7 | Very low | 31.8 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | | | trans | 63.9 | 160 | 150.5 | -62.1 | -20.4 | 0 | 0 | 0 | 119.1 | | |
| 137 | N | 29.5 | Very low | 31.5 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | cis | -170.7 | 148.4 | -45.7 | -120.6 | -21.6 | 0 | 0 | 0 | 108.8 | | |
| 138 | T | 31.2 | Very low | 31.7 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | | | trans | 60.3 | 158.6 | 159.4 | 49.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 139 | T | 34.5 | Very low | 31.7 | Very low | 116 Ų | 116 | 136 Ų | 136 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | | | cis | -155.1 | 137.4 | -6.4 | 10.9 | 0 | 0 | 0 | 0 | 106.1 | | |
| 140 | K | 28.7 | Very low | 31.4 | Very low | 190 Ų | 190 | 134.9 Ų | 134.9 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | | | | 70 | 127 | 68.5 | -135.4 | -170.9 | -171.5 | -166.3 | 0 | 114.4 | | |
| 141 | V | 32.6 | Very low | 31.3 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | | | trans | 151.2 | 138.2 | 166.2 | 151.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 142 | D | 32.1 | Very low | 31.5 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | | | cis | -155.7 | 164.2 | -30.2 | -104.6 | -27.9 | 0 | 0 | 0 | 113.8 | | |
| 143 | T | 32.8 | Very low | 31.4 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | | | trans | -5.3 | 144 | 166.6 | 61.8 | 0 | 0 | 0 | 0 | 123.3 | | |
| 144 | N | 34.6 | Very low | 31.4 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | | | | -167.4 | 159.5 | 106.4 | -101.8 | -40.6 | 0 | 0 | 0 | 116.4 | | |
| 145 | N | 33.9 | Very low | 31.4 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | trans | 64.3 | 85.9 | 170.4 | -73.9 | 5.3 | 0 | 0 | 0 | 121.3 | | |
| 146 | I | 34.8 | Very low | 31.3 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | | 58.6 | 120.6 | 110.9 | -63.8 | 163.8 | 0 | 0 | 0 | 116.8 | | |
| 147 | H | 35 | Very low | 31.3 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | | -154.5 | 139 | 51 | -133.1 | -64.9 | 0 | 0 | 0 | 113.7 | | |
| 148 | S | 31.9 | Very low | 31.4 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 60% | 0.601 | 76% | 0.758 | S | S | * | * | | | trans | 29.7 | 149.5 | 144.6 | 59.2 | 0 | 0 | 0 | 0 | 123.7 | | |
| 149 | F | 31.9 | Very low | 31.4 | Very low | 205 Ų | 205 | 136.3 Ų | 136.3 | 90% | 0.899 | 77% | 0.767 | S | S | * | * | | | cis | -169 | -176.5 | -22.2 | -116.8 | -62.3 | 0 | 0 | 0 | 108.2 | | |
| 150 | S | 25.5 | Very low | 31.1 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | trans | -86.8 | 168.9 | -176.4 | 55.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 151 | S | 26 | Very low | 31.1 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | | | trans | 90.2 | 165.9 | 154 | -52.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 152 | T | 33.6 | Very low | 30.8 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | | | trans | 68.8 | 125.2 | -164.2 | 69.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 153 | D | 28 | Very low | 30.6 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | | | cis | 78.4 | 143.6 | 21.7 | -153.7 | 9.1 | 0 | 0 | 0 | 115.6 | G155 | D153-G155 PolarHBondContact O-N 3.12Š|
| 154 | S | 32.2 | Very low | 30.5 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | 62.7 | 31.7 | 168.6 | 68.2 | 0 | 0 | 0 | 0 | 119.4 | R156 | S154-R156 PolarHBondContact O-N 3.44Š|
| 155 | G | 27.3 | Very low | 30.2 | Very low | 86 Ų | 86 | 129 Ų | 129 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | | | trans | -96.4 | 60.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | D153 | D153-G155 PolarHBondContact O-N 3.12Š|
| 156 | R | 28.8 | Very low | 30.2 | Very low | 246 Ų | 246 | 130.2 Ų | 130.2 | 93% | 0.928 | 76% | 0.76 | S | S | * | * | | | trans | -142.8 | 57 | -170.2 | -147.9 | 178.9 | -163.7 | -178.3 | 6.5 | 117.1 | S154 | S154-R156 PolarHBondContact O-N 3.44Š|
| 157 | S | 31.7 | Very low | 30.1 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | -145 | 156.2 | 168.3 | 56 | 0 | 0 | 0 | 0 | 112.9 | | |
| 158 | S | 32 | Very low | 29.9 | Very low | 89 Ų | 89 | 128.2 Ų | 128.2 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | | | trans | 51.8 | 88.6 | 161.3 | 53 | 0 | 0 | 0 | 0 | 118.6 | S160 | S158-S160 VanDerWaalsContact CB-OG 3.3Å; S158-S160 WeakPolarHBondContact CB-OG 3.49Å |
| 159 | I | 30.6 | Very low | 29.7 | Very low | 187 Ų | 187 | 131.7 Ų | 131.7 | 96% | 0.959 | 77% | 0.773 | S | S | * | * | | | | -89 | 94.5 | 128.5 | -62.5 | 177.7 | 0 | 0 | 0 | 105.7 | | |
| 160 | S | 29.4 | Very low | 29.8 | Very low | 82 Ų | 82 | 128.8 Ų | 128.8 | 57% | 0.573 | 77% | 0.766 | S | S | * | * | | | trans | -161 | 114.5 | 179.1 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | S158 | S158-S160 VanDerWaalsContact CB-OG 3.3Å; S158-S160 WeakPolarHBondContact CB-OG 3.49Å |
| 161 | S | 28.2 | Very low | 30 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | 65.5 | 145.5 | 162.3 | 59.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 162 | S | 27.4 | Very low | 30.1 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | trans | 78.9 | 142.5 | 159.2 | -55.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 163 | Q | 27.3 | Very low | 29.8 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 77% | 0.771 | 76% | 0.762 | S | S | * | * | | | cis | -164.4 | -179.5 | 1.6 | -130.6 | 168.2 | -7 | 0 | 0 | 113.3 | | |
| 164 | T | 29.8 | Very low | 30 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | trans | 67.7 | 145.5 | 154.5 | 46.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 165 | S | 28.9 | Very low | 29.8 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | | | cis | -166.3 | -173.3 | -11.7 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 166 | N | 33.8 | Very low | 29.9 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 84% | 0.84 | 72% | 0.719 | S | S | * | * | | | trans | 91.6 | 119.7 | 168.9 | -45.8 | -5.5 | 0 | 0 | 0 | 114 | | |
| 167 | G | 33.8 | Very low | 30.1 | Very low | 68 Ų | 68 | 125 Ų | 125 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | | | cis | -175.5 | 167.3 | -7.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 168 | E | 30 | Very low | 30.1 | Very low | 196 Ų | 196 | 123 Ų | 123 | 92% | 0.916 | 67% | 0.673 | S | S | * | * | | | trans | 65.9 | 141.3 | 174.1 | -61.1 | 175.5 | 164.7 | 0 | 0 | 116.2 | | |
| 169 | E | 28.6 | Very low | 30.1 | Very low | 160 Ų | 160 | 124.6 Ų | 124.6 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | | | cis | -156 | 165.7 | -9.2 | -133.8 | -157.1 | 147.4 | 0 | 0 | 112.6 | | |
| 170 | I | 33.1 | Very low | 30.3 | Very low | 144 Ų | 144 | 122 Ų | 122 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | | | trans | 70.5 | 164.7 | 156.7 | -67.7 | 163.6 | 0 | 0 | 0 | 118.1 | | |
| 171 | S | 30.3 | Very low | 30.2 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 69% | 0.685 | 67% | 0.67 | S | S | * | * | | | trans | -138.3 | 151.1 | -144.3 | 58.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 172 | E | 27.8 | Very low | 30.6 | Very low | 173 Ų | 173 | 124.4 Ų | 124.4 | 81% | 0.808 | 66% | 0.663 | S | S | * | * | | | trans | 67.8 | 143.3 | 148.1 | -77.5 | -162.6 | -170.9 | 0 | 0 | 123.7 | | |
| 173 | N | 27.9 | Very low | 30.8 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 62% | 0.62 | 67% | 0.668 | S | S | * | * | | | trans | 80.7 | 114.4 | 147.8 | -89.3 | -61.2 | 0 | 0 | 0 | 122.6 | | |
| 174 | R | 30.3 | Very low | 31 | Very low | 201 Ų | 201 | 125.8 Ų | 125.8 | 76% | 0.758 | 67% | 0.665 | S | S | * | * | | | trans | 76.2 | 138.3 | 146.9 | -63.5 | -177.1 | -171.5 | 172.3 | 2.9 | 121.1 | | |
| 175 | Y | 29.2 | Very low | 31.1 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 49% | 0.486 | 66% | 0.661 | S | S | . | * | | | trans | 43.1 | 133.8 | 144.5 | -83.3 | -94 | 0 | 0 | 0 | 120.9 | S194 H195 | Y175-S194 WeakPolarHBondContact CD1-OG 3.27Å; Y175-S194 WeakPolarHBondContact CE1-O 3.36Å; Y175-S194 WeakPolarHBondContact CE1-OG 3.33Å; Y175-S194 VanDerWaalsContact CG-OG 3.23Å; Y175-S194 PolarHBondContact OH-O 2.64Å; Y175-H195 AromaticContact CD2-CD2 3.36Å; Y175-H195 WeakPolarHBondContact CD2-CD2 3.3Å; Y175-H195 AromaticContact CD2-NE2 3.77Å; Y175-H195 HydrophobicContact CE2-CB 3.91Å; Y175-H195 AromaticContact CE2-CD2 3.18Å; Y175-H195 WeakPolarHBondContact CE2-CD2 3.22Å; Y175-H195 AromaticContact CE2-CG 3.61Å; Y175-H195 AromaticContact CE2-NE2 3.89Å; Y175-H195 AromaticContact CZ-CD2 3.82Å |
| 176 | D | 28.6 | Very low | 31.2 | Very low | 59 Ų | 59 | 126.3 Ų | 126.3 | 32% | 0.316 | 66% | 0.663 | S | S | . | * | | | trans | 88.5 | 102.8 | 132.9 | -82.3 | -3.2 | 0 | 0 | 0 | 121.7 | R191 D193 | D176-R191 PolarHBondContact O-NH2 2.78Å; D176-D193 VanDerWaalsContact CA-OD2 3.29Å; D176-D193 WeakPolarHBondContact CA-OD2 3.36Å; D176-D193 PolarHBondContact N-OD2 2.95Å; D176-D193 VanDerWaalsContact OD1-C 3.25Å; D176-D193 WeakPolarHBondContact OD1-CB 3.18Å |
| 177 | K | 34.4 | Very low | 31.1 | Very low | 70 Ų | 70 | 127.1 Ų | 127.1 | 30% | 0.304 | 66% | 0.66 | S | S | . | * | | | | 109.5 | 106.9 | 108.3 | -80.9 | 168.2 | 161.3 | 77.9 | 0 | 115.8 | R191 S192 D193 | K177-R191 HydrophobicContact CB-CB 3.74Å; K177-R191 HydrophobicContact CB-CG 3.74Å; K177-R191 VanDerWaalsContact CB-CZ 3.4Å; K177-R191 HydrophobicContact CD-CB 3.86Å; K177-R191 HydrophobicContact CG-CB 3.8Å; K177-R191 HydrophobicContact CG-CG 4.38Å; K177-R191 PolarHBondContact O-NE 3.5Å; K177-R191 PolarHBondContact O-NH2 3.04Å; K177-S192 WeakPolarHBondContact CE-O 3.09Å; K177-S192 VanDerWaalsContact CG-O 3.26Å; K177-S192 WeakPolarHBondContact CG-O 3.29Å; K177-S192 PolarHBondContact NZ-O 2.86Å; K177-D193 PolarHBondContact N-OD2 3.41Å |
| 178 | T | 30.8 | Very low | 31.2 | Very low | 67 Ų | 67 | 130.3 Ų | 130.3 | 41% | 0.411 | 67% | 0.665 | S | S | . | * | | | trans | -9.4 | 159.6 | 162 | 57.6 | 0 | 0 | 0 | 0 | 122.6 | R191 S192 | T178-R191 VanDerWaalsContact O-CG 3.27Å; T178-R191 WeakPolarHBondContact O-CG 3.12Å; T178-R191 PolarHBondContact O-NE 3.48Å; T178-R191 WeakPolarHBondContact OG1-CA 3.43Å; T178-R191 VanDerWaalsContact OG1-CG 3.31Å; T178-R191 WeakPolarHBondContact OG1-CG 3.01Å; T178-R191 PolarHBondContact OG1-N 2.89Å; T178-S192 VanDerWaalsContact CG2-OG 3.3Å; T178-S192 WeakPolarHBondContact CG2-OG 3.31Å; T178-S192 PolarHBondContact OG1-OG 2.85Å |
| 179 | K | 31 | Very low | 31.3 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 53% | 0.53 | 65% | 0.647 | S | S | . | * | | | trans | 114 | 93.8 | 151.6 | -69.3 | -161.4 | 172.4 | -167.7 | 0 | 116.6 | D189 G190 | K179-D189 PolarHBondContact NZ-O 3.47Å; K179-G190 VanDerWaalsContact CE-O 3.3Å; K179-G190 WeakPolarHBondContact CE-O 3.34Å |
| 180 | V | 35.2 | Very low | 31.6 | Very low | 133 Ų | 133 | 120.1 Ų | 120.1 | 81% | 0.806 | 63% | 0.632 | S | S | * | * | | | | 26.7 | 113.4 | 112.7 | -176.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 181 | N | 28.9 | Very low | 31.6 | Very low | 139 Ų | 139 | 119.2 Ų | 119.2 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | | | trans | -156.2 | 171.2 | 142.2 | -85.6 | -54.3 | 0 | 0 | 0 | 105.4 | | |
| 182 | T | 35.1 | Very low | 31.6 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 64% | 0.644 | 61% | 0.605 | S | S | * | * | | | cis | -150.5 | 155.6 | 16.8 | -18.9 | 0 | 0 | 0 | 0 | 105.8 | | |
| 183 | L | 32.8 | Very low | 31.8 | Very low | 149 Ų | 149 | 113.4 Ų | 113.4 | 78% | 0.78 | 59% | 0.591 | S | S | * | * | S | Bend | cis | -134.4 | 125 | 43.1 | -76.4 | 144.2 | 0 | 0 | 0 | 113.8 | | |
| 184 | M | 31.9 | Very low | 31.9 | Very low | 143 Ų | 143 | 110.7 Ų | 110.7 | 70% | 0.704 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 65.9 | 132.5 | 138.3 | -54.7 | -61.4 | -157.6 | 0 | 0 | 118.1 | | |
| 185 | V | 30.8 | Very low | 32 | Very low | 117 Ų | 117 | 106.7 Ų | 106.7 | 71% | 0.709 | 57% | 0.571 | S | S | * | * | | | cis | -139.2 | 111.4 | 22.8 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 186 | T | 31.9 | Very low | 32.1 | Very low | 111 Ų | 111 | 109.2 Ų | 109.2 | 68% | 0.681 | 58% | 0.584 | S | S | * | * | | | trans | 62.9 | 148.1 | 156.4 | 66.4 | 0 | 0 | 0 | 0 | 120 | | |
| 187 | K | 31.7 | Very low | 32.1 | Very low | 175 Ų | 175 | 113 Ų | 113 | 76% | 0.761 | 60% | 0.603 | S | S | * | * | | | cis | -160.5 | 146.1 | -7.3 | -113.5 | 163.9 | -174.7 | 176.5 | 0 | 109.3 | | |
| 188 | T | 34.2 | Very low | 31.9 | Very low | 134 Ų | 134 | 117.4 Ų | 117.4 | 82% | 0.822 | 63% | 0.631 | S | S | * | * | | | trans | 39.6 | 126.4 | 150.7 | 57.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 189 | D | 32.3 | Very low | 32 | Very low | 99 Ų | 99 | 117.6 Ų | 117.6 | 53% | 0.529 | 65% | 0.645 | S | S | . | * | | | cis | -152.3 | -150.1 | -12.6 | -164 | -147.1 | 0 | 0 | 0 | 107.4 | K179 R191 | K179-D189 PolarHBondContact NZ-O 3.47Å; D189-R191 WeakPolarHBondContact OD1-CD 3.45Å |
| 190 | G | 36.1 | Very low | 31.9 | Very low | 43 Ų | 43 | 117 Ų | 117 | 44% | 0.443 | 66% | 0.657 | S | S | . | * | | | cis | -145.9 | -178.7 | -13.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | K179 | K179-G190 VanDerWaalsContact CE-O 3.3Å; K179-G190 WeakPolarHBondContact CE-O 3.34Å |
| 191 | R | 31.7 | Very low | 31.8 | Very low | 125 Ų | 125 | 116.2 Ų | 116.2 | 47% | 0.472 | 66% | 0.657 | S | S | . | * | | | cis | 99.3 | 106.2 | 15.4 | -65.3 | -169.1 | 115.8 | -129.7 | -11.2 | 114.9 | D176 K177 T178 D189 | D176-R191 PolarHBondContact O-NH2 2.78Å; K177-R191 HydrophobicContact CB-CB 3.74Å; K177-R191 HydrophobicContact CB-CG 3.74Å; K177-R191 VanDerWaalsContact CB-CZ 3.4Å; K177-R191 HydrophobicContact CD-CB 3.86Å; K177-R191 HydrophobicContact CG-CB 3.8Å; K177-R191 HydrophobicContact CG-CG 4.38Å; K177-R191 PolarHBondContact O-NE 3.5Å; K177-R191 PolarHBondContact O-NH2 3.04Å; T178-R191 VanDerWaalsContact O-CG 3.27Å; T178-R191 WeakPolarHBondContact O-CG 3.12Å; T178-R191 PolarHBondContact O-NE 3.48Å; T178-R191 WeakPolarHBondContact OG1-CA 3.43Å; T178-R191 VanDerWaalsContact OG1-CG 3.31Å; T178-R191 WeakPolarHBondContact OG1-CG 3.01Å; T178-R191 PolarHBondContact OG1-N 2.89Å; D189-R191 WeakPolarHBondContact OD1-CD 3.45Å |
| 192 | S | 30.3 | Very low | 31.7 | Very low | 54 Ų | 54 | 116.9 Ų | 116.9 | 38% | 0.378 | 66% | 0.661 | S | S | . | * | | | cis | 134.4 | 176.6 | -10.1 | -59.3 | 0 | 0 | 0 | 0 | 115.8 | K177 T178 | K177-S192 WeakPolarHBondContact CE-O 3.09Å; K177-S192 VanDerWaalsContact CG-O 3.26Å; K177-S192 WeakPolarHBondContact CG-O 3.29Å; K177-S192 PolarHBondContact NZ-O 2.86Å; T178-S192 VanDerWaalsContact CG2-OG 3.3Å; T178-S192 WeakPolarHBondContact CG2-OG 3.31Å; T178-S192 PolarHBondContact OG1-OG 2.85Å |
| 193 | D | 32.1 | Very low | 31.7 | Very low | 96 Ų | 96 | 116.7 Ų | 116.7 | 51% | 0.513 | 66% | 0.664 | S | S | . | * | | | trans | 36.1 | 173.7 | 173.2 | -12.2 | -34.1 | 0 | 0 | 0 | 123.5 | D176 K177 | D176-D193 VanDerWaalsContact CA-OD2 3.29Å; D176-D193 WeakPolarHBondContact CA-OD2 3.36Å; D176-D193 PolarHBondContact N-OD2 2.95Å; D176-D193 VanDerWaalsContact OD1-C 3.25Å; D176-D193 WeakPolarHBondContact OD1-CB 3.18Å; K177-D193 PolarHBondContact N-OD2 3.41Å |
| 194 | S | 29.8 | Very low | 31.7 | Very low | 58 Ų | 58 | 115.9 Ų | 115.9 | 41% | 0.406 | 66% | 0.66 | S | S | . | * | | | cis | -158.9 | -168.3 | -13.1 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | Y175 | Y175-S194 WeakPolarHBondContact CD1-OG 3.27Å; Y175-S194 WeakPolarHBondContact CE1-O 3.36Å; Y175-S194 WeakPolarHBondContact CE1-OG 3.33Å; Y175-S194 VanDerWaalsContact CG-OG 3.23Å; Y175-S194 PolarHBondContact OH-O 2.64Å |
| 195 | H | 33.6 | Very low | 31.7 | Very low | 117 Ų | 117 | 115.3 Ų | 115.3 | 54% | 0.542 | 66% | 0.66 | S | S | . | * | | | trans | 87.8 | 87.9 | 168.6 | -84.4 | -103.8 | 0 | 0 | 0 | 123.4 | Y175 | Y175-H195 AromaticContact CD2-CD2 3.36Å; Y175-H195 WeakPolarHBondContact CD2-CD2 3.3Å; Y175-H195 AromaticContact CD2-NE2 3.77Å; Y175-H195 HydrophobicContact CE2-CB 3.91Å; Y175-H195 AromaticContact CE2-CD2 3.18Å; Y175-H195 WeakPolarHBondContact CE2-CD2 3.22Å; Y175-H195 AromaticContact CE2-CG 3.61Å; Y175-H195 AromaticContact CE2-NE2 3.89Å; Y175-H195 AromaticContact CZ-CD2 3.82Å |
| 196 | K | 31.9 | Very low | 31.5 | Very low | 177 Ų | 177 | 116 Ų | 116 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | | | | 35.5 | 130.4 | 119.7 | -81.5 | -173.5 | 162.8 | -173.4 | 0 | 124.2 | | |
| 197 | L | 27.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 117.3 Ų | 117.3 | 72% | 0.723 | 66% | 0.663 | S | S | * | * | | | trans | 65.9 | 106.3 | 130.6 | -62.1 | 173.1 | 0 | 0 | 0 | 121.4 | | |
| 198 | D | 30.4 | Very low | 31.1 | Very low | 164 Ų | 164 | 113 Ų | 113 | 88% | 0.877 | 66% | 0.655 | S | S | * | * | | | | 173.9 | 152.6 | 107.7 | -86.2 | -18.7 | 0 | 0 | 0 | 108.7 | | |
| 199 | G | 32.8 | Very low | 30.8 | Very low | 70 Ų | 70 | 112.9 Ų | 112.9 | 72% | 0.722 | 65% | 0.649 | S | S | * | * | | | cis | -165.5 | -175.6 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 200 | S | 28.7 | Very low | 30.7 | Very low | 109 Ų | 109 | 114.1 Ų | 114.1 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | | | trans | -41 | 138.6 | -177.4 | -177.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 201 | S | 33.5 | Very low | 30.3 | Very low | 117 Ų | 117 | 116.3 Ų | 116.3 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | | | | -171.2 | 141.7 | 111.8 | -80.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 202 | N | 27.6 | Very low | 30 | Very low | 154 Ų | 154 | 115.1 Ų | 115.1 | 82% | 0.824 | 66% | 0.66 | S | S | * | * | | | trans | -67.2 | 156.3 | 179.4 | -61.2 | -49.6 | 0 | 0 | 0 | 114.5 | | |
| 203 | S | 34.2 | Very low | 29.8 | Very low | 100 Ų | 100 | 117.3 Ų | 117.3 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | | | | -175.8 | 120.6 | 114.1 | 179.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 204 | N | 32.1 | Very low | 29.6 | Very low | 132 Ų | 132 | 119.6 Ų | 119.6 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | | | | 23.4 | 143.6 | 124.9 | -48.9 | -25.2 | 0 | 0 | 0 | 119.6 | | |
| 205 | N | 31.6 | Very low | 29.7 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | | | cis | -163.5 | 178.5 | -3.8 | -125.1 | -33 | 0 | 0 | 0 | 112.8 | | |
| 206 | N | 27.4 | Very low | 29.5 | Very low | 131 Ų | 131 | 121.9 Ų | 121.9 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | | | trans | -53.5 | 159.1 | -179.2 | -56.7 | -59.9 | 0 | 0 | 0 | 118.2 | | |
| 207 | N | 29.2 | Very low | 29.2 | Very low | 139 Ų | 139 | 121.7 Ų | 121.7 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | | | trans | 75.2 | 100.5 | 146.8 | -65.9 | -4.7 | 0 | 0 | 0 | 121.5 | | |
| 208 | S | 27.1 | Very low | 29.3 | Very low | 85 Ų | 85 | 121 Ų | 121 | 59% | 0.594 | 72% | 0.721 | S | S | * | * | | | | 28.3 | 130.2 | 106.4 | 72.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 209 | N | 28 | Very low | 29.1 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | | | cis | -153.2 | 161.7 | 32.1 | -75.1 | -75.1 | 0 | 0 | 0 | 113.1 | | |
| 210 | N | 29.7 | Very low | 28.9 | Very low | 124 Ų | 124 | 121.3 Ų | 121.3 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | | | trans | 8.4 | 139.6 | 150.7 | -51 | -6.1 | 0 | 0 | 0 | 120 | Q1514 | N210-Q1514 PolarHBondContact O-NE2 2.75Š|
| 211 | D | 26.4 | Very low | 28.6 | Very low | 89 Ų | 89 | 120.4 Ų | 120.4 | 48% | 0.476 | 71% | 0.713 | S | S | . | * | | | | -164.1 | 135.1 | 98.6 | -109.1 | 20.7 | 0 | 0 | 0 | 114.4 | Q1514 | D211-Q1514 PolarHBondContact OD1-NE2 3.02Å; D211-Q1514 WeakPolarHBondContact OD2-CG 3.26Å |
| 212 | N | 27 | Very low | 28.6 | Very low | 100 Ų | 100 | 120.4 Ų | 120.4 | 54% | 0.535 | 71% | 0.713 | S | S | . | * | | | trans | 41.8 | 142 | 140 | -59.2 | -40.2 | 0 | 0 | 0 | 124.6 | | |
| 213 | S | 26.2 | Very low | 28.6 | Very low | 100 Ų | 100 | 119.9 Ų | 119.9 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | | | trans | 91.8 | 123.1 | 145.3 | -73.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 214 | I | 26.8 | Very low | 28.4 | Very low | 145 Ų | 145 | 121.4 Ų | 121.4 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | | | trans | 63.1 | 110.8 | 134.8 | -56.6 | 166.1 | 0 | 0 | 0 | 117.1 | | |
| 215 | D | 31.6 | Very low | 28.1 | Very low | 164 Ų | 164 | 120.3 Ų | 120.3 | 88% | 0.877 | 70% | 0.699 | S | S | * | * | | | | -156.3 | 173.7 | 100.3 | -130.2 | -41.7 | 0 | 0 | 0 | 113.4 | | |
| 216 | G | 29.2 | Very low | 28.2 | Very low | 58 Ų | 58 | 120.8 Ų | 120.8 | 60% | 0.598 | 70% | 0.701 | S | S | * | * | | | trans | -85 | 168.1 | -163.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 217 | L | 25.6 | Very low | 28.3 | Very low | 174 Ų | 174 | 123.9 Ų | 123.9 | 91% | 0.911 | 70% | 0.704 | S | S | * | * | | | trans | -62.3 | 142 | 163.3 | -73.9 | 159.5 | 0 | 0 | 0 | 111.2 | | |
| 218 | P | 31.5 | Very low | 28.3 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 79% | 0.792 | 70% | 0.701 | S | S | * | * | | | trans | -104.6 | 115 | 135 | 32.2 | -27.7 | 0 | 0 | 0 | 109.3 | | |
| 219 | S | 24.9 | Very low | 28.3 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | | | trans | -76.1 | 139.9 | 154.4 | 47.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 220 | V | 28.7 | Very low | 28.4 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 83% | 0.83 | 70% | 0.703 | S | S | * | * | | | | -173.4 | 129.4 | 117.4 | 154.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 221 | S | 23.4 | Very low | 28.4 | Very low | 91 Ų | 91 | 121.8 Ų | 121.8 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | | | trans | -52.1 | 141.5 | 176.6 | -35.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 222 | S | 31.6 | Very low | 28.6 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | | | | -156.6 | 101.6 | 121.4 | -17.2 | 0 | 0 | 0 | 0 | 107 | | |
| 223 | E | 29.5 | Very low | 28.5 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | | | | 76.7 | 111.8 | 70.2 | -74.1 | -160.6 | 127.9 | 0 | 0 | 114.9 | | |
| 224 | L | 29 | Very low | 28.9 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | | | trans | 66.8 | 96 | 141.1 | -78.8 | 84.4 | 0 | 0 | 0 | 121 | | |
| 225 | D | 25.5 | Very low | 28.9 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 58% | 0.583 | 74% | 0.739 | S | S | * | * | | | | 81.9 | 126.9 | 98 | -68.7 | 4.1 | 0 | 0 | 0 | 123.5 | | |
| 226 | I | 33.4 | Very low | 28.9 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | | | | 41 | 111.7 | 119.2 | -44.9 | 164.3 | 0 | 0 | 0 | 117.4 | | |
| 227 | Y | 29.1 | Very low | 28.8 | Very low | 197 Ų | 197 | 134.6 Ų | 134.6 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | trans | -141.1 | 154.3 | 155.2 | -84.4 | -75.8 | 0 | 0 | 0 | 110.2 | | |
| 228 | S | 30.2 | Very low | 29.1 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | | | cis | -153.9 | 149.7 | 10.4 | 17 | 0 | 0 | 0 | 0 | 112.7 | | |
| 229 | D | 27.1 | Very low | 28.9 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | | | | 43.4 | 163.3 | 125.4 | -46.7 | -48.8 | 0 | 0 | 0 | 120.9 | | |
| 230 | V | 29 | Very low | 29.1 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | | | cis | -148.8 | 152.5 | 20.7 | -134.5 | 0 | 0 | 0 | 0 | 106.4 | | |
| 231 | T | 30.3 | Very low | 28.8 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 62% | 0.62 | 73% | 0.732 | S | S | * | * | | | | -170.8 | 146.1 | 56.4 | 17.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 232 | L | 30.8 | Very low | 29.1 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | | | trans | 71 | 101.3 | 144.1 | -61.9 | 167.4 | 0 | 0 | 0 | 121.2 | | |
| 233 | I | 24.7 | Very low | 28.8 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 82% | 0.821 | 73% | 0.733 | S | S | * | * | | | trans | -72 | 167.9 | 148.1 | -13.2 | 170.2 | 0 | 0 | 0 | 108.5 | | |
| 234 | P | 35.2 | Very low | 28.8 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | | | cis | -147.1 | 165.4 | 18.4 | 42.4 | -22 | 0 | 0 | 0 | 119.8 | | |
| 235 | R | 25.7 | Very low | 28.8 | Very low | 236 Ų | 236 | 142 Ų | 142 | 89% | 0.891 | 74% | 0.742 | S | S | * | * | | | trans | 152.6 | 170.3 | 133.2 | -87 | 175.9 | 166.5 | 161.8 | -3.7 | 113.8 | | |
| 236 | S | 33.4 | Very low | 28.9 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | trans | 65.7 | 86.4 | 170.9 | 62.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 237 | N | 26.7 | Very low | 28.5 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | | 67.7 | 156.4 | 123.4 | -60.8 | 4.5 | 0 | 0 | 0 | 122.1 | | |
| 238 | V | 31.9 | Very low | 28.5 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | | | trans | 72.3 | 104 | 176.8 | -173.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 239 | N | 26.5 | Very low | 28.4 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | cis | 60.3 | 127.9 | 5.5 | -123.6 | 13.5 | 0 | 0 | 0 | 115.1 | | |
| 240 | V | 29.4 | Very low | 28.5 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | | | cis | -153.6 | 139.9 | 41.6 | 168.6 | 0 | 0 | 0 | 0 | 109.1 | Y242 | V240-Y242 VanDerWaalsContact CG1-N 3.32Š|
| 241 | D | 22.6 | Very low | 28.7 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -109 | 110.4 | 145.1 | -172.4 | 12.4 | 0 | 0 | 0 | 107.4 | | |
| 242 | Y | 28.7 | Very low | 28.7 | Very low | 200 Ų | 200 | 148.8 Ų | 148.8 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | | | trans | -174.9 | 141 | 171.9 | -101.3 | -61.8 | 0 | 0 | 0 | 112.1 | V240 | V240-Y242 VanDerWaalsContact CG1-N 3.32Š|
| 243 | T | 26.5 | Very low | 28.6 | Very low | 114 Ų | 114 | 152.2 Ų | 152.2 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | -34.1 | 117.4 | 168.7 | 51.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 244 | I | 28.2 | Very low | 29 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | | | | 41.5 | 128.5 | 112.4 | -64.7 | 175.2 | 0 | 0 | 0 | 119.1 | | |
| 245 | K | 28.8 | Very low | 28.8 | Very low | 190 Ų | 190 | 152.3 Ų | 152.3 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | 85.3 | 160 | 168.2 | -67.4 | 149.3 | -168.4 | 167.1 | 0 | 116.4 | | |
| 246 | P | 28.4 | Very low | 29.2 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | cis | -111.2 | 164.2 | -3.6 | 37.8 | -26.3 | 0 | 0 | 0 | 114.4 | | |
| 247 | G | 26.3 | Very low | 29.2 | Very low | 67 Ų | 67 | 151.5 Ų | 151.5 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 170.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K249 | G247-K249 PolarHBondContact O-N 3.18Š|
| 248 | K | 27.9 | Very low | 29.4 | Very low | 223 Ų | 223 | 153.6 Ų | 153.6 | 97% | 0.97 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 117.5 | 168.7 | -73.4 | -175.2 | 176.2 | -178.7 | 0 | 110.2 | | |
| 249 | K | 28.1 | Very low | 29.7 | Very low | 204 Ų | 204 | 152.2 Ų | 152.2 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 131.6 | 166.6 | -63.9 | 174.7 | -179.9 | 174.2 | 0 | 109.3 | G247 | G247-K249 PolarHBondContact O-N 3.18Š|
| 250 | S | 30 | Very low | 29.8 | Very low | 107 Ų | 107 | 152 Ų | 152 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | | -164.5 | 142.9 | 129.1 | -141.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 251 | T | 33.2 | Very low | 29.8 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 69% | 0.693 | 80% | 0.802 | S | S | * | * | | | trans | 53.4 | 106.9 | 154.8 | 49.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 252 | K | 30.5 | Very low | 30.2 | Very low | 184 Ų | 184 | 152.7 Ų | 152.7 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | | | | 82.6 | 112.1 | 128.3 | -67.5 | 178.6 | 177.6 | 174.7 | 0 | 121.8 | | |
| 253 | R | 27.4 | Very low | 30.2 | Very low | 236 Ų | 236 | 151.1 Ų | 151.1 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | | | trans | 71.2 | 149.5 | 130.4 | -77.6 | -171.7 | 172.1 | -169.3 | -3.7 | 118.4 | | |
| 254 | V | 33.3 | Very low | 30.3 | Very low | 110 Ų | 110 | 155 Ų | 155 | 67% | 0.667 | 81% | 0.805 | S | S | * | * | | | cis | -163.4 | 150.3 | -15.1 | 102.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 255 | N | 31 | Very low | 30.3 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | | | trans | 58.4 | 157 | 164.4 | -62.9 | -10 | 0 | 0 | 0 | 120.4 | | |
| 256 | G | 34.1 | Very low | 30.3 | Very low | 75 Ų | 75 | 150.5 Ų | 150.5 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -173.3 | -40.3 | 178 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 257 | R | 34.4 | Very low | 30.3 | Very low | 248 Ų | 248 | 150 Ų | 150 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | | | trans | 61.7 | 104.8 | 177.3 | -61.4 | -179.4 | 174.7 | 177.8 | -1.9 | 120.1 | | |
| 258 | K | 30 | Very low | 30.3 | Very low | 200 Ų | 200 | 157.6 Ų | 157.6 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | | | | 11 | 164.7 | 116.8 | -73.7 | -174.9 | 179.7 | -177.6 | 0 | 120.6 | | |
| 259 | P | 38.8 | Very low | 30.4 | Very low | 108 Ų | 108 | 154.4 Ų | 154.4 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | cis | -149.5 | 160.9 | -27.5 | 40.2 | -20.6 | 0 | 0 | 0 | 119 | | |
| 260 | V | 27.3 | Very low | 30.3 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | 20.9 | 130.1 | 132.5 | -167.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 261 | K | 31.3 | Very low | 30.2 | Very low | 207 Ų | 207 | 152.5 Ų | 152.5 | 90% | 0.9 | 79% | 0.787 | S | S | * | * | | | | 168.6 | 159.3 | 129.7 | -93.4 | 171.4 | -175.1 | -177.1 | 0 | 110.7 | | |
| 262 | G | 30 | Very low | 30 | Very low | 66 Ų | 66 | 150.3 Ų | 150.3 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | | | cis | 156.6 | 101.6 | -10.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 263 | I | 28.1 | Very low | 30 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | 31 | 127 | 150.8 | -51.4 | 165.5 | 0 | 0 | 0 | 120 | | |
| 264 | K | 28.2 | Very low | 30 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | | | | -173.7 | 172.8 | 129.2 | -111.6 | -178 | -177.2 | -173.8 | 0 | 117.8 | | |
| 265 | T | 29 | Very low | 29.8 | Very low | 114 Ų | 114 | 150 Ų | 150 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | | | trans | -152.8 | 162 | -168.6 | 45.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 266 | T | 30.1 | Very low | 29.7 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | cis | -157.8 | 157.4 | -1.1 | 3.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 267 | T | 28.3 | Very low | 29.4 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | | | trans | 38.6 | 111.3 | 146.4 | -33.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 268 | R | 26 | Very low | 29.1 | Very low | 226 Ų | 226 | 146.1 Ų | 146.1 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | | 178.1 | 149.9 | 107.5 | -95.1 | -172.5 | 176.9 | -178.5 | 0.3 | 114.1 | | |
| 269 | H | 29.1 | Very low | 29.1 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | | | trans | -2.4 | 153.7 | 149.8 | -63.9 | -67.2 | 0 | 0 | 0 | 120.6 | | |
| 270 | N | 26.1 | Very low | 28.8 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | cis | -166.9 | 164.6 | 5.7 | -123 | 2.5 | 0 | 0 | 0 | 112.7 | | |
| 271 | V | 28.1 | Very low | 28.9 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | | | trans | 65.7 | 133.8 | 159.4 | 175.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 272 | G | 28.7 | Very low | 28.7 | Very low | 68 Ų | 68 | 136.5 Ų | 136.5 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | | | cis | 163.7 | -171.8 | -8.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 273 | R | 30.2 | Very low | 28.6 | Very low | 232 Ų | 232 | 139.2 Ų | 139.2 | 88% | 0.875 | 71% | 0.707 | S | S | * | * | | | trans | 73 | 106.7 | 166.3 | -82 | -175.9 | 175 | 172.2 | -0.9 | 120.7 | | |
| 274 | T | 27.2 | Very low | 28.6 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | | | | 69.1 | 150.1 | 124 | 55.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 275 | K | 29.8 | Very low | 28.5 | Very low | 170 Ų | 170 | 135 Ų | 135 | 74% | 0.739 | 69% | 0.69 | S | S | * | * | | | cis | -159.7 | 151 | 10.6 | -131 | 176.5 | 179.2 | -163.5 | 0 | 112 | | |
| 276 | Q | 28.5 | Very low | 28.4 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | | | trans | 46.2 | 128.7 | 146.3 | -71.2 | 171.6 | -79.7 | 0 | 0 | 123.7 | | |
| 277 | N | 28.1 | Very low | 28.5 | Very low | 127 Ų | 127 | 135 Ų | 135 | 68% | 0.679 | 69% | 0.687 | S | S | * | * | | | | 53.1 | 141.6 | 124.7 | -56.3 | 42 | 0 | 0 | 0 | 120.6 | | |
| 278 | E | 28.7 | Very low | 28.8 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 63% | 0.626 | 69% | 0.688 | S | S | * | * | | | cis | -153.1 | -134 | -1.5 | -130 | 168.9 | -77.1 | 0 | 0 | 111.4 | | |
| 279 | L | 30.1 | Very low | 28.9 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 56% | 0.56 | 68% | 0.677 | S | S | * | * | | | cis | -148.9 | -143 | -5.5 | -141.7 | -178.4 | 0 | 0 | 0 | 108.4 | N559 | L279-N559 CarbonylContact O-C 3.51Å; L279-N559 VanDerWaalsContact O-CB 3.3Å; L279-N559 WeakPolarHBondContact O-CB 3.49Å |
| 280 | K | 31.8 | Very low | 28.9 | Very low | 61 Ų | 61 | 131 Ų | 131 | 27% | 0.265 | 68% | 0.68 | S | S | . | * | | | trans | -148.3 | 167.5 | 168.9 | -12.7 | 88.1 | -168.8 | -150.5 | 0 | 113.6 | N559 N560 N561 L562 | K280-N559 WeakPolarHBondContact CA-O 3.45Å; K280-N559 WeakPolarHBondContact CB-O 3.4Å; K280-N560 WeakPolarHBondContact CE-O 3.34Å; K280-N560 VanDerWaalsContact CG-N 3.28Å; K280-N560 WeakPolarHBondContact CG-O 3.23Å; K280-N561 WeakPolarHBondContact CD-O 3.31Å; K280-N561 WeakPolarHBondContact CE-O 3.45Å; K280-N561 PolarHBondContact NZ-O 3.34Å; K280-L562 VanDerWaalsContact NZ-CG 3.34Å |
| 281 | L | 29.9 | Very low | 29.1 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | | | trans | -162.4 | 134.3 | 130.5 | -86.9 | 139.8 | 0 | 0 | 0 | 106 | | |
| 282 | H | 26.6 | Very low | 29.2 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 60% | 0.597 | 68% | 0.681 | S | S | * | * | | | | 61.5 | 142.1 | 70.7 | -74.7 | -69.1 | 0 | 0 | 0 | 114.3 | | |
| 283 | D | 27.3 | Very low | 29.3 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 65% | 0.652 | 69% | 0.687 | S | S | * | * | | | cis | -173.3 | 179 | -23.8 | -137.6 | -36 | 0 | 0 | 0 | 110.1 | | |
| 284 | E | 28.1 | Very low | 29.3 | Very low | 154 Ų | 154 | 126 Ų | 126 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | | | trans | 63.2 | 167.3 | 145 | -76.5 | -163.1 | 135.7 | 0 | 0 | 119.7 | | |
| 285 | L | 27.2 | Very low | 29.3 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 63% | 0.628 | 68% | 0.675 | S | S | * | * | | | cis | -159 | 178.7 | -8 | -125.9 | 179.2 | 0 | 0 | 0 | 112.6 | | |
| 286 | L | 26.7 | Very low | 29.3 | Very low | 139 Ų | 139 | 122 Ų | 122 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | | | trans | 66.7 | 161.7 | 154 | -71.5 | 164.9 | 0 | 0 | 0 | 116.8 | | |
| 287 | S | 32.5 | Very low | 29.2 | Very low | 93 Ų | 93 | 120.1 Ų | 120.1 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | | | cis | -140 | 171.8 | 15.6 | 44.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 288 | E | 33.4 | Very low | 29.1 | Very low | 157 Ų | 157 | 118.2 Ų | 118.2 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | | | cis | -170 | -178 | -4.5 | -105.4 | 156.2 | -132.8 | 0 | 0 | 105.1 | | |
| 289 | C | 29.3 | Very low | 29.1 | Very low | 93 Ų | 93 | 122.6 Ų | 122.6 | 63% | 0.628 | 69% | 0.687 | S | S | * | * | | | cis | -165.5 | 164.8 | -1.1 | -116.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 290 | E | 27.8 | Very low | 29.1 | Very low | 166 Ų | 166 | 122.1 Ų | 122.1 | 78% | 0.776 | 69% | 0.689 | S | S | * | * | | | cis | -170 | -170.4 | -17.3 | -134.7 | -170.2 | 157.1 | 0 | 0 | 111.1 | | |
| 291 | L | 31.6 | Very low | 29.1 | Very low | 164 Ų | 164 | 124 Ų | 124 | 86% | 0.859 | 70% | 0.702 | S | S | * | * | | | trans | 97.3 | 117.1 | 159.4 | -54.9 | 179.5 | 0 | 0 | 0 | 118.1 | | |
| 292 | G | 29.1 | Very low | 29.1 | Very low | 70 Ų | 70 | 119.1 Ų | 119.1 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | | | trans | 152.8 | 54.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 293 | T | 31.7 | Very low | 29.2 | Very low | 132 Ų | 132 | 116.2 Ų | 116.2 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | | | trans | 31.2 | 102.7 | 148.6 | 54 | 0 | 0 | 0 | 0 | 118.9 | | |
| 294 | S | 29.1 | Very low | 29.3 | Very low | 98 Ų | 98 | 115.1 Ų | 115.1 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | | | | 96 | 132.8 | 66 | 64.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 295 | S | 29 | Very low | 29.3 | Very low | 96 Ų | 96 | 116.1 Ų | 116.1 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | | | trans | 44.6 | 119.2 | 151.2 | 52.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 296 | S | 28 | Very low | 29.5 | Very low | 112 Ų | 112 | 115.1 Ų | 115.1 | 78% | 0.783 | 68% | 0.684 | S | S | * | * | | | | 65.2 | 149.2 | 76.2 | 95.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 297 | S | 27.2 | Very low | 29.5 | Very low | 99 Ų | 99 | 115 Ų | 115 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | | | cis | -162.5 | -176 | 14.8 | 65.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 298 | S | 26.8 | Very low | 29.4 | Very low | 86 Ų | 86 | 120.1 Ų | 120.1 | 60% | 0.601 | 69% | 0.689 | S | S | * | * | | | trans | 65 | 115.7 | 147.9 | 66.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 299 | Y | 28.6 | Very low | 29.1 | Very low | 226 Ų | 226 | 119.9 Ų | 119.9 | 89% | 0.886 | 69% | 0.688 | S | S | * | * | | | | -150.4 | 78.1 | 120.5 | -101.1 | -72.9 | 0 | 0 | 0 | 111.7 | | |
| 300 | T | 29.6 | Very low | 29.1 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | | | | 45.6 | 150 | 128.6 | 59.4 | 0 | 0 | 0 | 0 | 125.1 | | |
| 301 | L | 32.2 | Very low | 29.2 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 52% | 0.524 | 69% | 0.692 | S | S | . | * | | | trans | 90.8 | 42.2 | 144.6 | -67.7 | 153.1 | 0 | 0 | 0 | 123.3 | K719 V720 | L301-K719 HydrophobicContact CB-CD 3.97Å; L301-K719 HydrophobicContact CD2-CB 3.92Å; L301-K719 HydrophobicContact CD2-CD 3.49Å; L301-K719 VanDerWaalsContact CD2-CD 3.49Å; L301-K719 HydrophobicContact CD2-CG 4.3Å; L301-K719 HydrophobicContact CG-CD 4.34Å; L301-K719 WeakPolarHBondContact O-CD 3.3Å; L301-K719 WeakPolarHBondContact O-CE 3.3Å; L301-K719 PolarHBondContact O-NZ 2.66Å; L301-V720 VanDerWaalsContact CA-CG2 3.48Å; L301-V720 HydrophobicContact CB-CG2 4.34Å; L301-V720 HydrophobicContact CD2-CG2 3.88Å; L301-V720 HydrophobicContact CG-CG2 4.02Å |
| 302 | A | 29.7 | Very low | 29 | Very low | 47 Ų | 47 | 121.9 Ų | 121.9 | 39% | 0.388 | 68% | 0.684 | S | S | . | * | | | | 41.7 | 140.7 | 121.5 | 0 | 0 | 0 | 0 | 0 | 126.9 | K719 V720 | A302-K719 HydrophobicContact CB-CB 4.08Å; A302-K719 HydrophobicContact CB-CG 4.29Å; A302-K719 WeakPolarHBondContact O-CD 3.26Å; A302-K719 WeakPolarHBondContact O-CE 3.33Å; A302-K719 WeakPolarHBondContact O-CG 3.48Å; A302-V720 HydrophobicContact CB-CB 4.32Å; A302-V720 HydrophobicContact CB-CG2 3.49Å; A302-V720 VanDerWaalsContact CB-CG2 3.49Å |
| 303 | A | 29.5 | Very low | 28.9 | Very low | 69 Ų | 69 | 124.6 Ų | 124.6 | 57% | 0.57 | 68% | 0.678 | S | S | * | * | | | | 60.4 | 134.4 | 121 | 0 | 0 | 0 | 0 | 0 | 126.6 | | |
| 304 | S | 28.1 | Very low | 28.8 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 69% | 0.685 | 67% | 0.67 | S | S | * | * | | | trans | 67.2 | 146.6 | 148.5 | -84.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 305 | K | 29.2 | Very low | 29 | Very low | 176 Ų | 176 | 128.5 Ų | 128.5 | 77% | 0.765 | 68% | 0.678 | S | S | * | * | | | cis | -163.8 | -172.2 | -13.3 | -149.2 | 172.8 | -175 | -180 | 0 | 108.1 | | |
| 306 | V | 30.6 | Very low | 29 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 60% | 0.6 | 68% | 0.677 | S | S | * | * | | | trans | 66.8 | 106.5 | 164.4 | -174 | 0 | 0 | 0 | 0 | 119.7 | E716 | V306-E716 WeakPolarHBondContact CG2-OE1 3.33Š|
| 307 | N | 26.1 | Very low | 29.5 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | | | | 45.4 | 148.5 | 125.5 | -144.2 | 4.8 | 0 | 0 | 0 | 124.7 | | |
| 308 | R | 31.4 | Very low | 29.6 | Very low | 200 Ų | 200 | 134 Ų | 134 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | | | trans | 70.1 | 98.8 | 163.1 | -78.2 | -179.3 | 178.1 | 153.3 | 2.3 | 120.9 | | |
| 309 | Q | 27.2 | Very low | 29.7 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | | | | 54.1 | 126 | 119.7 | -75 | 178.8 | -48.4 | 0 | 0 | 121.3 | | |
| 310 | H | 28.9 | Very low | 29.8 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 78% | 0.782 | 67% | 0.671 | S | S | * | * | | | trans | 69.7 | 148.5 | 148.5 | -72.7 | -49.7 | 0 | 0 | 0 | 116.6 | | |
| 311 | K | 30.9 | Very low | 29.6 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 70% | 0.704 | 68% | 0.68 | S | S | * | * | | | cis | -174.1 | 158.5 | -4 | 147.6 | 175.2 | 172.5 | -171.1 | 0 | 108.6 | | |
| 312 | L | 26.8 | Very low | 29.6 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 71% | 0.707 | 69% | 0.691 | S | S | * | * | | | trans | 73.9 | 154.5 | 177.7 | -58.3 | 147.9 | 0 | 0 | 0 | 113.7 | | |
| 313 | E | 27.5 | Very low | 29.4 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 59% | 0.589 | 71% | 0.712 | S | S | * | * | | | cis | -148.4 | 168.4 | 0.5 | -135.9 | 172.3 | -157.9 | 0 | 0 | 114.4 | | |
| 314 | K | 29.2 | Very low | 29.2 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 63% | 0.63 | 72% | 0.724 | S | S | * | * | | | trans | 24.2 | 137 | 154.3 | -70.5 | 151.7 | -160 | 159.7 | 0 | 118.7 | | |
| 315 | I | 33.8 | Very low | 29.6 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | | | | -139.3 | 159.3 | 64 | -81 | 160.2 | 0 | 0 | 0 | 113.3 | | |
| 316 | Y | 28.6 | Very low | 29.5 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 66% | 0.655 | 73% | 0.727 | S | S | * | * | | | trans | -77.4 | -179.1 | -179.7 | -96.8 | -131.2 | 0 | 0 | 0 | 113.5 | Q318 | Y316-Q318 HydrophobicContact CD1-CG 3.96Å; Y316-Q318 HydrophobicContact CE1-CG 3.9Å |
| 317 | P | 37.4 | Very low | 29.5 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | | | cis | -109.7 | 161 | 1.8 | 7.5 | 18.4 | 0 | 0 | 0 | 113.4 | | |
| 318 | Q | 30 | Very low | 29.8 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | | | | 52.8 | 136 | 76.8 | -69.2 | -168 | -4.1 | 0 | 0 | 114.7 | Y316 | Y316-Q318 HydrophobicContact CD1-CG 3.96Å; Y316-Q318 HydrophobicContact CE1-CG 3.9Å |
| 319 | T | 28.4 | Very low | 29.8 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | | | cis | -142.5 | -169.4 | 9.1 | -4.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 320 | F | 30.4 | Very low | 29.9 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 82% | 0.82 | 72% | 0.723 | S | S | * | * | | | cis | -146 | -146.1 | 10.5 | -133.2 | -45.9 | 0 | 0 | 0 | 112.4 | | |
| 321 | K | 26.8 | Very low | 29.8 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 79% | 0.787 | 73% | 0.726 | S | S | * | * | | | trans | -160.4 | -167.6 | -169.2 | -52.5 | 178.4 | -175.8 | 172.9 | 0 | 108.6 | | |
| 322 | P | 31.6 | Very low | 29.6 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 75% | 0.747 | 73% | 0.726 | S | S | * | * | | | cis | -112.9 | 175.8 | -36.6 | 14.3 | 9.9 | 0 | 0 | 0 | 110.2 | | |
| 323 | K | 26.2 | Very low | 29.4 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | | | cis | 91.9 | 104.5 | 24.1 | -80.9 | -159.9 | 175 | -167.7 | 0 | 118.5 | | |
| 324 | S | 24.2 | Very low | 29.4 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | trans | 66.6 | 149 | 139.4 | 53.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 325 | V | 36.1 | Very low | 29.3 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | -117.8 | 157.9 | -179.7 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 326 | N | 28 | Very low | 29 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | | | trans | -151.2 | 157.3 | 157.3 | -137.1 | 0.8 | 0 | 0 | 0 | 113 | S595 | N326-S595 WeakPolarHBondContact OD1-CB 3.45Š|
| 327 | N | 30.7 | Very low | 28.9 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 43% | 0.428 | 74% | 0.742 | S | S | . | * | | | trans | -91.4 | 170.7 | -179 | -74 | -35 | 0 | 0 | 0 | 111.7 | S595 | N327-S595 PolarHBondContact ND2-OG 3.26Š|
| 328 | Q | 32.4 | Very low | 28.7 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | cis | -165.7 | 156.6 | -10.2 | -117.5 | 175.3 | 1.2 | 0 | 0 | 108.6 | | |
| 329 | S | 31.7 | Very low | 28.7 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | | | trans | -165.5 | 126.7 | 156.4 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 330 | S | 28.7 | Very low | 28.9 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | | | trans | -67.9 | 160.2 | 160.4 | 45 | 0 | 0 | 0 | 0 | 111.8 | | |
| 331 | F | 26.7 | Very low | 29 | Very low | 194 Ų | 194 | 129.5 Ų | 129.5 | 85% | 0.851 | 72% | 0.717 | S | S | * | * | | | cis | -165.1 | -176.2 | -12 | -95.3 | -32 | 0 | 0 | 0 | 106 | | |
| 332 | Q | 25.5 | Very low | 29.1 | Very low | 151 Ų | 151 | 128 Ų | 128 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | | | cis | -152.1 | -171.5 | 12.7 | -147.8 | 178.8 | -97.8 | 0 | 0 | 110.1 | | |
| 333 | D | 24.5 | Very low | 29.1 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 66% | 0.658 | 70% | 0.7 | S | S | * | * | | | trans | 63.1 | 129.2 | 165.3 | -54 | -19.4 | 0 | 0 | 0 | 117.3 | | |
| 334 | C | 26 | Very low | 29.2 | Very low | 118 Ų | 118 | 124 Ų | 124 | 80% | 0.797 | 69% | 0.692 | S | S | * | * | | | cis | -123.7 | 137.4 | 22.3 | -63.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 335 | S | 26.8 | Very low | 29.7 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | | | | 25.9 | 146.1 | 110 | -56.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 336 | I | 28.8 | Very low | 29.4 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 81% | 0.81 | 68% | 0.682 | S | S | * | * | | | cis | -159.6 | 177.4 | 4.5 | -121.3 | 165 | 0 | 0 | 0 | 111.8 | | |
| 337 | N | 26.3 | Very low | 29.3 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | | | trans | -52.7 | 167.5 | 173.9 | -79.9 | -23.4 | 0 | 0 | 0 | 116.4 | | |
| 338 | A | 32.4 | Very low | 29.3 | Very low | 89 Ų | 89 | 124.2 Ų | 124.2 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -73.4 | 144.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 339 | D | 31.4 | Very low | 29 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | | | trans | 56.2 | 105.2 | 155.4 | -77.3 | -50.9 | 0 | 0 | 0 | 121.7 | | |
| 340 | N | 31.9 | Very low | 28.8 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 60% | 0.599 | 69% | 0.693 | S | S | * | * | | | | 65.3 | 139.2 | 119 | -82.4 | -68.7 | 0 | 0 | 0 | 119.4 | S100 | S100-N340 WeakPolarHBondContact CB-O 3.37Å; S100-N340 PolarHBondContact OG-O 2.73Å; S100-N340 VanDerWaalsContact OG-O 3.12Å |
| 341 | I | 32.1 | Very low | 28.6 | Very low | 55 Ų | 55 | 125.7 Ų | 125.7 | 28% | 0.282 | 69% | 0.692 | S | S | . | * | | | cis | -146 | 160.8 | 47.9 | -78 | 177.2 | 0 | 0 | 0 | 110.9 | L99 S100 S101 | L99-I341 HydrophobicContact CB-CD1 3.7Å; L99-I341 WeakPolarHBondContact O-CD1 3.24Å; L99-I341 WeakPolarHBondContact O-CG2 3.44Å; S100-I341 VanDerWaalsContact O-CG2 3.24Å; S100-I341 WeakPolarHBondContact O-CG2 3.42Å; S101-I341 WeakPolarHBondContact CA-O 3.43Å; S101-I341 PolarHBondContact N-O 3.49Å; S101-I341 PolarHBondContact OG-N 3Å; S101-I341 PolarHBondContact OG-O 3.15Å |
| 342 | K | 29.8 | Very low | 28.7 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 65% | 0.652 | 69% | 0.694 | S | S | * | * | | | trans | -0.9 | 150.7 | 153.7 | -65.4 | 177.6 | 177.1 | 179.9 | 0 | 118.8 | S101 | S101-K342 PolarHBondContact N-O 2.84Š|
| 343 | N | 30.4 | Very low | 28.9 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 52% | 0.519 | 70% | 0.699 | S | S | . | * | | | cis | -157.3 | 136.4 | 29 | -139.3 | 20.2 | 0 | 0 | 0 | 113.6 | | |
| 344 | N | 28.3 | Very low | 29 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 67% | 0.674 | 70% | 0.695 | S | S | * | * | | | trans | 58.8 | 145.4 | 139.8 | -67.6 | 5.6 | 0 | 0 | 0 | 120.3 | | |
| 345 | I | 34.9 | Very low | 29.4 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 66% | 0.662 | 69% | 0.691 | S | S | * | * | | | cis | -145.7 | 168.6 | 15.4 | -138.9 | 157.6 | 0 | 0 | 0 | 113.1 | | |
| 346 | E | 29.1 | Very low | 29.2 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 76% | 0.757 | 69% | 0.694 | S | S | * | * | | | trans | -19.3 | 151.3 | 157.8 | -68.6 | 163.5 | 124.5 | 0 | 0 | 117.6 | | |
| 347 | S | 27 | Very low | 29.4 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | | | cis | -176.1 | 150.9 | -5.6 | 48.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 348 | G | 29.7 | Very low | 29.3 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | | | trans | 73.8 | 178.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 349 | Q | 26.2 | Very low | 29.2 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 77% | 0.771 | 69% | 0.689 | S | S | * | * | | | cis | -154 | 165 | -5.8 | -144.7 | 171.1 | -50.8 | 0 | 0 | 110.8 | | |
| 350 | E | 28.4 | Very low | 28.8 | Very low | 161 Ų | 161 | 124.3 Ų | 124.3 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | | | trans | 67.7 | 121.7 | 167.4 | -57.9 | 175.8 | 175.5 | 0 | 0 | 116.1 | | |
| 351 | S | 24.3 | Very low | 28.7 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | | | cis | 81.8 | 107.2 | 25.8 | 93.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 352 | Q | 29.1 | Very low | 28.4 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -139.2 | 129.4 | 142.9 | -64.3 | -170.4 | 9.9 | 0 | 0 | 106.8 | | |
| 353 | Q | 29.5 | Very low | 28.3 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | S | Bend | cis | -113.4 | 132.4 | -5.1 | -74.5 | -177.3 | -34.7 | 0 | 0 | 108.1 | | |
| 354 | S | 27 | Very low | 28 | Very low | 82 Ų | 82 | 129 Ų | 129 | 57% | 0.573 | 74% | 0.735 | S | S | * | * | | | | 59.4 | 125.3 | 61.1 | 81.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 355 | T | 33.3 | Very low | 28.1 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | | | cis | -135.8 | 157.6 | 17.2 | 53.8 | 0 | 0 | 0 | 0 | 109 | | |
| 356 | T | 24.6 | Very low | 28 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | | | | 44.1 | 151.2 | 62.7 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 357 | P | 32.5 | Very low | 28.2 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | | | cis | -94.9 | 166.1 | -8.1 | 3.6 | 20.4 | 0 | 0 | 0 | 112.2 | | |
| 358 | D | 23 | Very low | 28.4 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | | | cis | 94.9 | 162.8 | 37.2 | -158.3 | 13.7 | 0 | 0 | 0 | 114 | | |
| 359 | L | 30.2 | Very low | 28.4 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | | | trans | 77.9 | 76.4 | 171.2 | -54.4 | -177.6 | 0 | 0 | 0 | 119.4 | | |
| 360 | S | 24.4 | Very low | 28.9 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | | 32.3 | 107.9 | 121.3 | 64.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 361 | S | 28.4 | Very low | 28.7 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | trans | -165.3 | 157 | 131.3 | 38.7 | 0 | 0 | 0 | 0 | 113 | | |
| 362 | F | 26.3 | Very low | 28.7 | Very low | 200 Ų | 200 | 121.2 Ų | 121.2 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | | | trans | -52.8 | 157.5 | 164.6 | -56 | -87.8 | 0 | 0 | 0 | 111 | | |
| 363 | P | 28.1 | Very low | 28.8 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | | | cis | -150.7 | 174.9 | 33.7 | 41.2 | -20.4 | 0 | 0 | 0 | 118.3 | | |
| 364 | S | 24.6 | Very low | 28.7 | Very low | 89 Ų | 89 | 114.8 Ų | 114.8 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | | | trans | 61.1 | 158.2 | 139 | 70.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 365 | L | 29.4 | Very low | 29.3 | Very low | 163 Ų | 163 | 114.5 Ų | 114.5 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | | | trans | 67.5 | 127.6 | 167.2 | -53.9 | 162 | 0 | 0 | 0 | 115 | | |
| 366 | S | 32.8 | Very low | 29 | Very low | 91 Ų | 91 | 114.6 Ų | 114.6 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | | | cis | -167.4 | 147.7 | -11.1 | 49.5 | 0 | 0 | 0 | 0 | 109 | | |
| 367 | S | 32.8 | Very low | 29 | Very low | 105 Ų | 105 | 112.7 Ų | 112.7 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | | | trans | 50.3 | 134.8 | 150.6 | 59 | 0 | 0 | 0 | 0 | 120.7 | | |
| 368 | S | 31.4 | Very low | 28.9 | Very low | 101 Ų | 101 | 115.2 Ų | 115.2 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | | | cis | -176.3 | 155.6 | -0.5 | 44.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 369 | S | 31 | Very low | 29 | Very low | 116 Ų | 116 | 112.3 Ų | 112.3 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | | | trans | 76.9 | 156.5 | 140.4 | -70.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 370 | P | 34.8 | Very low | 29 | Very low | 117 Ų | 117 | 117.2 Ų | 117.2 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | | | trans | -130.5 | -168 | -143.3 | 43.1 | -26.4 | 0 | 0 | 0 | 114.7 | | |
| 371 | S | 24.7 | Very low | 29.1 | Very low | 68 Ų | 68 | 116.1 Ų | 116.1 | 48% | 0.476 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -58.5 | 154.8 | 162 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 372 | S | 25.4 | Very low | 29.1 | Very low | 86 Ų | 86 | 117.1 Ų | 117.1 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | | | trans | 59.4 | 101.4 | 157.5 | 62.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 373 | T | 29.8 | Very low | 29.3 | Very low | 148 Ų | 148 | 114.9 Ų | 114.9 | 91% | 0.908 | 70% | 0.699 | S | S | * | * | | | trans | -152.9 | 105.5 | 137.7 | 31.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 374 | S | 27.9 | Very low | 29.4 | Very low | 79 Ų | 79 | 116.3 Ų | 116.3 | 55% | 0.552 | 71% | 0.706 | S | S | * | * | | | trans | -84.6 | 175 | 140 | 56.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 375 | P | 38.9 | Very low | 29.8 | Very low | 76 Ų | 76 | 115.6 Ų | 115.6 | 49% | 0.494 | 71% | 0.712 | S | S | . | * | | | cis | -129.4 | 170.3 | -44.4 | 37.1 | -23.2 | 0 | 0 | 0 | 112 | | |
| 376 | C | 27.4 | Very low | 29.8 | Very low | 120 Ų | 120 | 115.3 Ų | 115.3 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | | | trans | -176.1 | 134.9 | 148.9 | -101.2 | 0 | 0 | 0 | 0 | 108 | | |
| 377 | S | 24.3 | Very low | 29.7 | Very low | 77 Ų | 77 | 118.5 Ų | 118.5 | 54% | 0.538 | 72% | 0.717 | S | S | . | * | | | cis | 83.9 | 71.7 | 43.6 | -58 | 0 | 0 | 0 | 0 | 114.8 | | |
| 378 | M | 30.8 | Very low | 29.7 | Very low | 173 Ų | 173 | 119 Ų | 119 | 85% | 0.852 | 72% | 0.715 | S | S | * | * | | | trans | -165.1 | 117.6 | 151.4 | -94.9 | -65.9 | 107.8 | 0 | 0 | 105.9 | | |
| 379 | S | 25.5 | Very low | 29.6 | Very low | 86 Ų | 86 | 120.4 Ų | 120.4 | 60% | 0.601 | 72% | 0.719 | S | S | * | * | | | cis | 93.7 | 47.7 | 21.6 | -45.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 380 | R | 30.7 | Very low | 29.6 | Very low | 237 Ų | 237 | 122.4 Ų | 122.4 | 89% | 0.894 | 71% | 0.714 | S | S | * | * | | | trans | -165.1 | 127.3 | 141.8 | -106.3 | 156.9 | 171.2 | 152.6 | -3.7 | 108.1 | | |
| 381 | A | 26.8 | Very low | 29.1 | Very low | 85 Ų | 85 | 123.7 Ų | 123.7 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | | | cis | 81.9 | 138 | 33.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 382 | N | 27.2 | Very low | 29.5 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | | | trans | 85.9 | 109.4 | 166 | -68.6 | 19.8 | 0 | 0 | 0 | 120.3 | | |
| 383 | H | 30.5 | Very low | 29.9 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | | | | 86.5 | 131.3 | 128.6 | -71.1 | -51.9 | 0 | 0 | 0 | 123.2 | | |
| 384 | T | 30.1 | Very low | 30 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | | | trans | 71.1 | 148.8 | 142.1 | 50.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 385 | G | 33.8 | Very low | 30.1 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | | | trans | 84.6 | 90.1 | -167 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 386 | D | 28.3 | Very low | 29.4 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | | | cis | 80.2 | 148.9 | 30.8 | -145.2 | -3.2 | 0 | 0 | 0 | 114.8 | | |
| 387 | E | 32.6 | Very low | 29.7 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | trans | 63.4 | 117.7 | 174.7 | -58.6 | -150 | 120.7 | 0 | 0 | 121.8 | | |
| 388 | T | 32.4 | Very low | 29.9 | Very low | 115 Ų | 115 | 137 Ų | 137 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | 56.4 | 114.5 | 138.3 | 62.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 389 | V | 29 | Very low | 29.8 | Very low | 131 Ų | 131 | 135 Ų | 135 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | | | | 64.7 | 86.6 | 73.7 | 179.3 | 0 | 0 | 0 | 0 | 114 | | |
| 390 | K | 30.2 | Very low | 29.9 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | | | | -178.6 | 137.6 | 116.1 | -105.5 | 165.7 | 169.7 | -102.9 | 0 | 115.1 | | |
| 391 | E | 24.7 | Very low | 29.7 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | | | trans | 60.5 | 177.5 | 148.8 | -67.6 | 157.4 | -139.6 | 0 | 0 | 116.8 | | |
| 392 | N | 33.6 | Very low | 29.8 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | | | trans | 69 | 137.2 | -170 | -47.5 | -62.3 | 0 | 0 | 0 | 114.9 | | |
| 393 | S | 33.9 | Very low | 30.1 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | cis | -158.3 | 145.2 | -12.3 | 48.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 394 | S | 32.5 | Very low | 30.4 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | | | trans | 41.1 | 129.9 | 145.5 | 67.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 395 | L | 28.3 | Very low | 30.4 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | | | | 54.5 | 144.5 | 57.8 | -68.2 | 83.6 | 0 | 0 | 0 | 113.1 | | |
| 396 | T | 26 | Very low | 30.2 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | | | cis | -154.4 | -154.3 | -17.3 | 23.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 397 | D | 32.4 | Very low | 30.3 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | | | trans | 91.9 | 115.6 | 153.1 | -49.2 | -6.7 | 0 | 0 | 0 | 113.8 | | |
| 398 | E | 29.9 | Very low | 30.1 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | | | cis | -144.1 | 154.9 | 1.2 | -131.9 | -173.6 | 159 | 0 | 0 | 113.5 | | |
| 399 | I | 26.6 | Very low | 30.1 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 68% | 0.677 | 73% | 0.728 | S | S | * | * | | | trans | -115 | 118.8 | -176.2 | -59.2 | 170.8 | 0 | 0 | 0 | 110 | I401 | I399-I401 HydrophobicContact CG2-CD1 3.63Å; I399-I401 HydrophobicContact CG2-CG1 4.09Å |
| 400 | Q | 29.7 | Very low | 30.1 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | | | trans | -174.4 | 115.9 | 134 | -101.1 | 156 | 97 | 0 | 0 | 109.9 | | |
| 401 | I | 26.2 | Very low | 30.1 | Very low | 121 Ų | 121 | 144 Ų | 144 | 62% | 0.621 | 73% | 0.729 | S | S | * | * | | | | 65.9 | 103 | 68.3 | -58.6 | 165.8 | 0 | 0 | 0 | 112.8 | I399 | I399-I401 HydrophobicContact CG2-CD1 3.63Å; I399-I401 HydrophobicContact CG2-CG1 4.09Å |
| 402 | R | 28.9 | Very low | 30.4 | Very low | 237 Ų | 237 | 145.6 Ų | 145.6 | 89% | 0.894 | 73% | 0.733 | S | S | * | * | | | | -161.1 | 124.7 | 106.7 | -125.6 | 124.5 | -168 | -157.8 | 5.3 | 115.7 | | |
| 403 | T | 31.8 | Very low | 30.3 | Very low | 96 Ų | 96 | 146.6 Ų | 146.6 | 59% | 0.589 | 73% | 0.733 | S | S | * | * | | | trans | -73.4 | 169.9 | 159.3 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 404 | P | 38.5 | Very low | 30 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | | | | -126.5 | 137.5 | 94.2 | 2.6 | 19.3 | 0 | 0 | 0 | 112.4 | | |
| 405 | Y | 28.4 | Very low | 29.8 | Very low | 196 Ų | 196 | 155 Ų | 155 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | | 66.4 | 140 | 80.9 | -79.5 | -124 | 0 | 0 | 0 | 113.5 | | |
| 406 | N | 30.6 | Very low | 29.7 | Very low | 140 Ų | 140 | 153.4 Ų | 153.4 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | | | cis | -157 | 162.7 | 30.6 | -150.2 | -8.8 | 0 | 0 | 0 | 116.3 | | |
| 407 | A | 31 | Very low | 29.9 | Very low | 71 Ų | 71 | 157.3 Ų | 157.3 | 59% | 0.587 | 76% | 0.761 | S | S | * | * | | | trans | 66.5 | 97.3 | 148.7 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 408 | T | 27.6 | Very low | 29.8 | Very low | 120 Ų | 120 | 157.8 Ų | 157.8 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | | 16.6 | 148.7 | 112 | 55.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 409 | Q | 32.4 | Very low | 29.7 | Very low | 138 Ų | 138 | 153.5 Ų | 153.5 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | | | cis | -169.3 | 147.1 | 22.7 | -133.7 | 177.5 | 57.6 | 0 | 0 | 113.1 | | |
| 410 | R | 29 | Very low | 29.8 | Very low | 198 Ų | 198 | 152.8 Ų | 152.8 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | | | trans | 65.1 | 154.3 | 152.2 | -76.8 | 167.1 | 175.4 | 164.1 | -8.5 | 117.3 | | |
| 411 | R | 31 | Very low | 29.9 | Very low | 199 Ų | 199 | 151.8 Ų | 151.8 | 75% | 0.751 | 75% | 0.75 | S | S | * | * | | | cis | -161.2 | 151.3 | 11.1 | -137.8 | -178.3 | -169.7 | 172 | 3.5 | 111.5 | | |
| 412 | K | 30.1 | Very low | 30.1 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | trans | 66.9 | 159.4 | 161.5 | -59.7 | -174.9 | 166.9 | -166.8 | 0 | 115.5 | | |
| 413 | E | 31.1 | Very low | 30.2 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | | | cis | -116.1 | 168 | 4.2 | -71.4 | 178.8 | 153.8 | 0 | 0 | 112.2 | | |
| 414 | L | 28.1 | Very low | 30.3 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 92% | 0.921 | 74% | 0.744 | S | S | * | * | | | trans | -130.8 | 139.1 | 177.6 | -88.1 | 174.5 | 0 | 0 | 0 | 110.7 | | |
| 415 | F | 27.8 | Very low | 30.1 | Very low | 193 Ų | 193 | 147.9 Ų | 147.9 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | | | trans | -124.9 | 131 | 172.2 | -115.7 | -93.5 | 0 | 0 | 0 | 110 | | |
| 416 | T | 26.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | | | trans | 12.8 | 115.9 | 161.8 | 51.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 417 | Q | 30.7 | Very low | 30.4 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | | | trans | -148.9 | 123.2 | 132.8 | -93.5 | 167 | 21 | 0 | 0 | 105.2 | | |
| 418 | I | 30.5 | Very low | 30.3 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | | 74.4 | 94.7 | 64.6 | -61 | 178.6 | 0 | 0 | 0 | 113.3 | | |
| 419 | S | 27.7 | Very low | 30.5 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | | | trans | 60.8 | 124.3 | 143.5 | -83.5 | 0 | 0 | 0 | 0 | 125.1 | | |
| 420 | N | 29.3 | Very low | 30.6 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | | 80.9 | 108.9 | 128.5 | -59.4 | 13 | 0 | 0 | 0 | 120.8 | I422 | N420-I422 HydrophobicContact CB-CD1 4.06Å; N420-I422 HydrophobicContact CB-CG1 4.4Å |
| 421 | N | 30.6 | Very low | 30.6 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | | | | -142.5 | 130.8 | 110.8 | -78.6 | -49.1 | 0 | 0 | 0 | 105.9 | | |
| 422 | I | 30.5 | Very low | 30.3 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | cis | 69.9 | 128.8 | 42.4 | -52.8 | 169.7 | 0 | 0 | 0 | 110.2 | N420 | N420-I422 HydrophobicContact CB-CD1 4.06Å; N420-I422 HydrophobicContact CB-CG1 4.4Å |
| 423 | S | 32 | Very low | 30.2 | Very low | 95 Ų | 95 | 149.5 Ų | 149.5 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | cis | -108.7 | -148.9 | 1.5 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 424 | D | 32.1 | Very low | 30 | Very low | 126 Ų | 126 | 145 Ų | 145 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | | | cis | -159.7 | 171.8 | -3.3 | -133.2 | -44.1 | 0 | 0 | 0 | 112.8 | | |
| 425 | H | 34.9 | Very low | 30 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | | | trans | 58 | 147.8 | 166.7 | -64.9 | -71.1 | 0 | 0 | 0 | 119.7 | | |
| 426 | E | 29.5 | Very low | 29.9 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | cis | -172.2 | 155.5 | -34.5 | -126 | 174.3 | 170.2 | 0 | 0 | 107.5 | | |
| 427 | G | 35.1 | Very low | 29.9 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | | | trans | 131.4 | 97.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 428 | D | 30.2 | Very low | 29.9 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | | | trans | -70.8 | 160.6 | 174 | -50.3 | -91.6 | 0 | 0 | 0 | 113.7 | | |
| 429 | C | 32 | Very low | 30 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 69% | 0.689 | 72% | 0.724 | S | S | * | * | | | | 168.3 | 126.3 | 119.4 | -90.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 430 | Y | 33 | Very low | 30.1 | Very low | 205 Ų | 205 | 137.8 Ų | 137.8 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | trans | 53.1 | 140.9 | 145.4 | -60.9 | -64.3 | 0 | 0 | 0 | 121.8 | | |
| 431 | E | 29.3 | Very low | 30.1 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | | | cis | -157.2 | 166 | -20.2 | -151.2 | 174.4 | -154.2 | 0 | 0 | 111.3 | | |
| 432 | L | 25.3 | Very low | 30.1 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | | | trans | -83.7 | 145.4 | 179.2 | -64 | 153.7 | 0 | 0 | 0 | 113.3 | | |
| 433 | R | 27.6 | Very low | 30.1 | Very low | 245 Ų | 245 | 135.1 Ų | 135.1 | 93% | 0.925 | 73% | 0.728 | S | S | * | * | | | trans | -166.9 | 126.9 | 134.9 | -104.7 | 162.5 | -174 | -149.3 | 0.5 | 108.9 | | |
| 434 | S | 27.3 | Very low | 30 | Very low | 82 Ų | 82 | 139.7 Ų | 139.7 | 57% | 0.573 | 74% | 0.737 | S | S | * | * | | | cis | 97.4 | 122.7 | 26.9 | -61.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 435 | N | 27.2 | Very low | 29.9 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | | | trans | 76.3 | 156 | 149.5 | -57.2 | 4.5 | 0 | 0 | 0 | 119.4 | | |
| 436 | T | 26.8 | Very low | 29.5 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | cis | -167.3 | 152.7 | -39.9 | 36.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 437 | S | 27.2 | Very low | 29.5 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | | | trans | 66.6 | 159.2 | 144.9 | 69.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 438 | D | 29.6 | Very low | 29.1 | Very low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | | | trans | 76.1 | 139.7 | 156.8 | -49.5 | -44.7 | 0 | 0 | 0 | 118.4 | | |
| 439 | I | 32 | Very low | 28.9 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | | | cis | -156.2 | 148.2 | 3.5 | -130.1 | 166.9 | 0 | 0 | 0 | 111.8 | | |
| 440 | E | 30.3 | Very low | 28.6 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | | | trans | 59.5 | 157.5 | 158.3 | -67.8 | 175.1 | -153.3 | 0 | 0 | 120.4 | | |
| 441 | T | 30.1 | Very low | 28.3 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | | | cis | -154 | 164.7 | -4.8 | 8.6 | 0 | 0 | 0 | 0 | 113 | | |
| 442 | T | 31 | Very low | 28.1 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | | | trans | 60 | 96.1 | 151.7 | 51.2 | 0 | 0 | 0 | 0 | 123.8 | | |
| 443 | T | 28.7 | Very low | 28.3 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | | | | 58.8 | 142.1 | 118.9 | 60.6 | 0 | 0 | 0 | 0 | 125.9 | | |
| 444 | F | 30 | Very low | 28.4 | Very low | 192 Ų | 192 | 125.1 Ų | 125.1 | 84% | 0.842 | 72% | 0.717 | S | S | * | * | | | trans | 99 | 156.4 | 144.6 | -87.3 | -61.3 | 0 | 0 | 0 | 122.2 | | |
| 445 | N | 29.9 | Very low | 28.5 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | | | trans | -89.6 | 160.9 | -152.8 | -67.3 | -39.9 | 0 | 0 | 0 | 115.6 | | |
| 446 | N | 27 | Very low | 28.7 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | | | trans | 48.3 | 116.6 | 144.1 | -69 | -14.1 | 0 | 0 | 0 | 120.5 | | |
| 447 | L | 30.3 | Very low | 28.7 | Very low | 163 Ų | 163 | 128.9 Ų | 128.9 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | | | trans | 44.4 | 111.6 | 138.5 | -73.3 | 166.7 | 0 | 0 | 0 | 118.6 | | |
| 448 | S | 25.3 | Very low | 29 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | | | | 160.9 | -173 | 95.2 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 449 | I | 27.6 | Very low | 29 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 70% | 0.697 | 73% | 0.729 | S | S | * | * | | | trans | 70.8 | 106.7 | 165.3 | -64.1 | 151.8 | 0 | 0 | 0 | 113.8 | I451 | I449-I451 HydrophobicContact CG2-CG1 4.46Š|
| 450 | S | 24.7 | Very low | 28.8 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | | 64.9 | 145.4 | 63.4 | 80.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 451 | I | 27.5 | Very low | 28.6 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | | -163 | 166.3 | 77 | -84.2 | 177.8 | 0 | 0 | 0 | 111.3 | I449 | I449-I451 HydrophobicContact CG2-CG1 4.46Š|
| 452 | S | 25.1 | Very low | 28.7 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | | | trans | -55.3 | 176.9 | 177.9 | 55.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 453 | T | 30.2 | Very low | 28.5 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 77% | 0.767 | 75% | 0.745 | S | S | * | * | | | cis | -152.8 | 142.6 | 31.7 | 46.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 454 | S | 28.4 | Very low | 28.7 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | trans | 28.7 | 131.5 | 135.1 | -109.9 | 0 | 0 | 0 | 0 | 123.8 | | |
| 455 | N | 28.8 | Very low | 28.8 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | | | | 109 | 144.9 | 128.4 | -89 | 52.4 | 0 | 0 | 0 | 122 | | |
| 456 | D | 32 | Very low | 28.8 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | | | trans | 66.2 | 94 | 158.1 | -55.9 | -12.2 | 0 | 0 | 0 | 121.4 | | |
| 457 | M | 27.5 | Very low | 28.9 | Very low | 161 Ų | 161 | 140 Ų | 140 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | | | | 55.2 | 131.4 | 120.1 | -66.3 | -67.6 | -70.3 | 0 | 0 | 121.3 | | |
| 458 | N | 32.3 | Very low | 29.2 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | | | trans | 105.1 | 137 | 156.6 | -62.3 | -13.4 | 0 | 0 | 0 | 118.6 | | |
| 459 | E | 30.1 | Very low | 29.4 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | 63.5 | 108.5 | 149.4 | -68 | -179.1 | 126.2 | 0 | 0 | 122.1 | | |
| 460 | L | 27.2 | Very low | 29.5 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | | | | 51.6 | 112 | 119.1 | -74.4 | 164.4 | 0 | 0 | 0 | 120.6 | | |
| 461 | N | 27.6 | Very low | 30.2 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | | | | 55.2 | 133.5 | 121.3 | -93.4 | -23.5 | 0 | 0 | 0 | 121.7 | | |
| 462 | R | 31.9 | Very low | 30.2 | Very low | 235 Ų | 235 | 140.3 Ų | 140.3 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | | | trans | 75.1 | 162.2 | 162.8 | -60.7 | 173.5 | 175.8 | -178.5 | -3.5 | 112.3 | | |
| 463 | E | 27.1 | Very low | 30.3 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | cis | -137.2 | 166.2 | 33.5 | -60.8 | 178.8 | 147.2 | 0 | 0 | 112.6 | | |
| 464 | T | 32.2 | Very low | 30.2 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 68% | 0.681 | 76% | 0.759 | S | S | * | * | | | | -178.3 | 157.7 | 69.9 | 42.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 465 | K | 31.3 | Very low | 30 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | cis | -125.9 | 174.8 | -12 | -74.7 | 108.3 | 177.3 | -176.8 | 0 | 106.9 | | |
| 466 | S | 31.1 | Very low | 29.9 | Very low | 107 Ų | 107 | 145.2 Ų | 145.2 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | cis | -147 | 173.1 | 14.7 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 467 | E | 28.9 | Very low | 29.6 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | -46.8 | 161.4 | 169.7 | -58 | 128.1 | -133.8 | 0 | 0 | 113.7 | | |
| 468 | I | 36 | Very low | 29.4 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | | | cis | -154.3 | 136.2 | 49.3 | -73.7 | 172.1 | 0 | 0 | 0 | 113.6 | | |
| 469 | S | 30.7 | Very low | 29.1 | Very low | 97 Ų | 97 | 143 Ų | 143 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | 41.9 | 124.6 | 152.8 | 82.8 | 0 | 0 | 0 | 0 | 125.5 | | |
| 470 | S | 29.8 | Very low | 28.9 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | | 83.1 | 155.2 | 124.3 | -65.4 | 0 | 0 | 0 | 0 | 122.8 | | |
| 471 | P | 38.6 | Very low | 29.1 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | | | trans | -133 | -167 | -148.6 | 43.7 | -25.5 | 0 | 0 | 0 | 116.6 | | |
| 472 | L | 28.4 | Very low | 29.3 | Very low | 176 Ų | 176 | 145 Ų | 145 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | | | trans | 77 | 149.1 | -178.4 | -55.6 | 152 | 0 | 0 | 0 | 113.6 | | |
| 473 | G | 26.8 | Very low | 29.3 | Very low | 57 Ų | 57 | 138.2 Ų | 138.2 | 59% | 0.588 | 75% | 0.751 | S | S | * | * | | | cis | 152.2 | 143.8 | -4.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 474 | F | 27.2 | Very low | 29.4 | Very low | 209 Ų | 209 | 136.8 Ų | 136.8 | 92% | 0.917 | 75% | 0.749 | S | S | * | * | | | trans | 63.8 | 161.6 | -175.9 | -67.5 | -95.2 | 0 | 0 | 0 | 114.8 | | |
| 475 | V | 25.5 | Very low | 29.5 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | | | cis | -165.3 | 169.6 | -42.2 | 106.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 476 | K | 25.7 | Very low | 29.7 | Very low | 180 Ų | 180 | 135 Ų | 135 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | | | trans | 77 | 122.9 | 162.2 | -101.7 | 177.6 | -179.4 | -177.3 | 0 | 120.3 | | |
| 477 | T | 25.3 | Very low | 30.2 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | | | | 41.5 | 123.5 | 128.5 | 60.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 478 | T | 24.8 | Very low | 30.4 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | | | trans | 62.5 | 112.6 | 134.1 | 58.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 479 | E | 25.3 | Very low | 30.3 | Very low | 154 Ų | 154 | 133 Ų | 133 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | | 91.9 | 137 | 120.4 | -74.9 | -173.1 | 138.4 | 0 | 0 | 122.4 | | |
| 480 | M | 26.4 | Very low | 30.5 | Very low | 162 Ų | 162 | 137 Ų | 137 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | | | trans | 75.2 | 144.4 | 142.2 | -75.8 | 175.9 | -165.4 | 0 | 0 | 119.5 | | |
| 481 | A | 31 | Very low | 30.4 | Very low | 76 Ų | 76 | 137.5 Ų | 137.5 | 63% | 0.628 | 74% | 0.742 | S | S | * | * | | | cis | -155.3 | 142.7 | -3.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 482 | R | 31.8 | Very low | 30.1 | Very low | 235 Ų | 235 | 136.6 Ų | 136.6 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | | | trans | 163.9 | 100.2 | 130.3 | -91.5 | 166.1 | 172.9 | 104.9 | -2 | 108.2 | | |
| 483 | S | 30.5 | Very low | 30.2 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | | | | 110.5 | 122.1 | 64.3 | 54.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 484 | N | 30.4 | Very low | 30.3 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | | | cis | -149.1 | 157 | 23.2 | -66.9 | -60 | 0 | 0 | 0 | 114 | | |
| 485 | S | 34.3 | Very low | 30.4 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | trans | 48.5 | 122.6 | 155.3 | 55.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 486 | I | 35.4 | Very low | 30.5 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 82% | 0.821 | 74% | 0.74 | S | S | * | * | | | cis | 74.6 | 127.4 | 46.5 | -59.7 | 173.2 | 0 | 0 | 0 | 113.1 | | |
| 487 | P | 42.6 | Very low | 30.7 | Very low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | cis | -113.6 | -143.1 | 1.5 | 27.6 | -3.2 | 0 | 0 | 0 | 111.9 | | |
| 488 | D | 31.9 | Very low | 30.9 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | cis | -161.5 | -164.5 | 14.8 | -141.7 | -28 | 0 | 0 | 0 | 115.7 | | |
| 489 | I | 33.4 | Very low | 31 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | | | trans | -97.7 | 136.9 | -153.9 | -82 | 167 | 0 | 0 | 0 | 119.2 | | |
| 490 | F | 35.1 | Very low | 31.1 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | 41 | 148.5 | 137.2 | -73.8 | -103.5 | 0 | 0 | 0 | 123.2 | | |
| 491 | D | 29.3 | Very low | 31.3 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | | | cis | -162.6 | 171.3 | -5 | -159.4 | 18.6 | 0 | 0 | 0 | 114.3 | | |
| 492 | S | 31 | Very low | 31.3 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | | | trans | 12.3 | 153 | 148.7 | 74.6 | 0 | 0 | 0 | 0 | 122.8 | | |
| 493 | S | 30.2 | Very low | 30.9 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | | | cis | -158.7 | -174.3 | 6.9 | 43.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 494 | T | 28.6 | Very low | 30.8 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | | | trans | -111.3 | 145.6 | -165.2 | 50.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 495 | T | 29.6 | Very low | 30.6 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | trans | -166.7 | 117.3 | 139.7 | 40.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 496 | I | 28.4 | Very low | 30.2 | Very low | 153 Ų | 153 | 130 Ų | 130 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | | 52.4 | 95.8 | 77.4 | -52.5 | 177.5 | 0 | 0 | 0 | 113.2 | | |
| 497 | T | 29.4 | Very low | 29.9 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 87% | 0.871 | 76% | 0.76 | S | S | * | * | | | trans | -134.1 | 124.2 | 157.9 | 42 | 0 | 0 | 0 | 0 | 109.6 | | |
| 498 | S | 29.2 | Very low | 29.4 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | | | trans | -110.1 | 131.6 | -176.6 | 57.6 | 0 | 0 | 0 | 0 | 112 | | |
| 499 | K | 28.4 | Very low | 29.2 | Very low | 206 Ų | 206 | 129.8 Ų | 129.8 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | | | trans | 59.2 | 78.3 | 159.9 | -59 | 178.7 | 178.9 | 179.6 | 0 | 116.5 | | |
| 500 | S | 26.6 | Very low | 29.2 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -95 | 137.4 | 141.8 | 52.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 501 | V | 31.2 | Very low | 29.1 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 116.4 | -179 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | T503 | V501-T503 PolarHBondContact O-N 2.8Š|
| 502 | T | 29.6 | Very low | 29.2 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55 | 119.5 | 164.8 | 43.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 503 | T | 24.8 | Very low | 29.8 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | | | | 47.4 | 106.2 | 89.7 | 64.3 | 0 | 0 | 0 | 0 | 115.8 | V501 | V501-T503 PolarHBondContact O-N 2.8Š|
| 504 | S | 28.3 | Very low | 29.9 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -174.6 | 139.5 | 136.6 | -77.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 505 | S | 24.8 | Very low | 30 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | | | cis | 61.6 | 161.9 | 22 | 64.1 | 0 | 0 | 0 | 0 | 114 | | |
| 506 | V | 26.8 | Very low | 30.1 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | | | cis | -150.7 | -165.1 | 13.2 | -144.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 507 | L | 29.4 | Very low | 30.2 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | | | trans | 88.5 | 146.5 | 155.8 | -50.4 | -167 | 0 | 0 | 0 | 116.7 | | |
| 508 | V | 31.5 | Very low | 30.4 | Very low | 110 Ų | 110 | 125.1 Ų | 125.1 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | | | cis | -169.2 | 159.4 | -4.2 | 121.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 509 | N | 28.4 | Very low | 30.5 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | | | cis | -139 | 178.6 | -16.4 | -113.6 | -21.5 | 0 | 0 | 0 | 105.7 | | |
| 510 | T | 32.7 | Very low | 30.7 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | | | cis | -157.2 | 175.6 | 44 | 62.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 511 | N | 32.4 | Very low | 31 | Very low | 153 Ų | 153 | 121.9 Ų | 121.9 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | cis | -150.1 | -176.8 | 4.8 | -150.1 | -9.6 | 0 | 0 | 0 | 110.9 | | |
| 512 | A | 31.8 | Very low | 31 | Very low | 74 Ų | 74 | 119.9 Ų | 119.9 | 61% | 0.612 | 74% | 0.739 | S | S | * | * | | | trans | -120.6 | -178.9 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 513 | P | 44.3 | Very low | 31 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | | | | -123.6 | -158.7 | 60.3 | 42.3 | -28.8 | 0 | 0 | 0 | 111.8 | | |
| 514 | L | 32.4 | Very low | 31.2 | Very low | 153 Ų | 153 | 122.1 Ų | 122.1 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | | | cis | -153.1 | -143.2 | 14.4 | -137.9 | -156.8 | 0 | 0 | 0 | 113.3 | | |
| 515 | R | 30.3 | Very low | 31.2 | Very low | 227 Ų | 227 | 127.1 Ų | 127.1 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | | | trans | -85.1 | 167.3 | -173.5 | -93.2 | 173.9 | 166.9 | 172.7 | -5.7 | 114.7 | | |
| 516 | A | 32 | Very low | 31.8 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | | | cis | -160 | 149.7 | -1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 517 | G | 30.4 | Very low | 31.8 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | 72 | 164.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 518 | A | 32.7 | Very low | 31.7 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | cis | -176.4 | 139.1 | -26.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 519 | S | 31.7 | Very low | 31.6 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | 59.1 | 158.1 | 155.4 | 48.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 520 | N | 32.4 | Very low | 31.5 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | | | cis | -162.5 | 159.2 | -12.7 | -107.2 | 0.4 | 0 | 0 | 0 | 112.7 | | |
| 521 | T | 33.7 | Very low | 31.1 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | | | trans | 44.7 | 102.7 | 144.9 | 61.6 | 0 | 0 | 0 | 0 | 123.9 | | |
| 522 | S | 30.7 | Very low | 31.1 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | | 38.5 | 130.2 | 114.3 | 65.1 | 0 | 0 | 0 | 0 | 125.1 | | |
| 523 | N | 29.1 | Very low | 31.1 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | | 94 | 113.9 | 127.3 | -73.3 | 0.4 | 0 | 0 | 0 | 125.5 | | |
| 524 | L | 29 | Very low | 30.5 | Very low | 135 Ų | 135 | 138 Ų | 138 | 71% | 0.707 | 76% | 0.76 | S | S | * | * | | | | 80.8 | 99 | 129.3 | -59 | 170.2 | 0 | 0 | 0 | 124.5 | | |
| 525 | Y | 28 | Very low | 30.6 | Very low | 216 Ų | 216 | 139.8 Ų | 139.8 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | | | trans | 56.3 | 173.3 | 134.2 | -74.3 | -79.1 | 0 | 0 | 0 | 121.2 | | |
| 526 | P | 37.9 | Very low | 30.6 | Very low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | cis | -137.8 | 176.3 | 6.7 | 44.3 | -26 | 0 | 0 | 0 | 119.7 | | |
| 527 | R | 27.1 | Very low | 31.1 | Very low | 230 Ų | 230 | 136.8 Ų | 136.8 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | | | trans | 48.7 | 105.1 | 147.9 | -90.7 | -173.2 | 162 | 157.4 | -3.1 | 124.7 | | |
| 528 | S | 27.5 | Very low | 31.1 | Very low | 97 Ų | 97 | 139 Ų | 139 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | | 28.1 | 125.7 | 121.9 | 65.3 | 0 | 0 | 0 | 0 | 124 | | |
| 529 | K | 28.7 | Very low | 31.1 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | | | | 177.6 | 132.2 | 107.5 | -105.8 | -171.8 | 176.3 | -175.1 | 0 | 116.6 | | |
| 530 | S | 26.3 | Very low | 31 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | trans | 43.1 | 129.5 | 142.8 | 63 | 0 | 0 | 0 | 0 | 125.7 | | |
| 531 | H | 25.9 | Very low | 31 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | | | trans | 101 | 155 | 132.7 | -76.3 | -31.2 | 0 | 0 | 0 | 123.4 | | |
| 532 | Y | 30.7 | Very low | 30.6 | Very low | 230 Ų | 230 | 145.4 Ų | 145.4 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | | | trans | 69.5 | 128.7 | -173.8 | -64 | -91.6 | 0 | 0 | 0 | 116.6 | | |
| 533 | A | 33.2 | Very low | 30.6 | Very low | 83 Ų | 83 | 148.9 Ų | 148.9 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | | | cis | -164.9 | 155.9 | -13.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 534 | S | 30.8 | Very low | 30.5 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | trans | 61.3 | 127.1 | 151.7 | 162.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 535 | K | 34.4 | Very low | 30.4 | Very low | 191 Ų | 191 | 149.8 Ų | 149.8 | 83% | 0.83 | 75% | 0.754 | S | S | * | * | | | cis | -159.5 | 154.6 | 17.6 | -115.1 | 163.8 | -170.4 | 174.5 | 0 | 111.7 | | |
| 536 | D | 30.8 | Very low | 30.5 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | | | trans | -87.7 | -172.9 | 173 | -28.5 | -101.5 | 0 | 0 | 0 | 111.3 | | |
| 537 | P | 41.3 | Very low | 30.2 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | | | cis | -122.4 | -161.7 | -16.3 | 27.5 | -1.9 | 0 | 0 | 0 | 110.4 | | |
| 538 | D | 31.8 | Very low | 30.2 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | | | cis | -169.8 | 152 | 43.3 | -115 | -31.3 | 0 | 0 | 0 | 115 | | |
| 539 | H | 31.9 | Very low | 30.3 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | | | trans | 33.4 | 144 | 140 | -77.1 | 76.8 | 0 | 0 | 0 | 123.3 | | |
| 540 | F | 29.8 | Very low | 30.2 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 69% | 0.689 | 73% | 0.728 | S | S | * | * | | | cis | -174.2 | 159 | -13 | -133.7 | -147.1 | 0 | 0 | 0 | 111.1 | | |
| 541 | I | 32.2 | Very low | 30.4 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | 67.8 | 152.9 | 152 | -74.4 | 177.2 | 0 | 0 | 0 | 121 | | |
| 542 | N | 26.1 | Very low | 30.6 | Very low | 134 Ų | 134 | 145 Ų | 145 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | | | trans | -102.7 | 176.2 | -172.1 | -73.9 | -52.8 | 0 | 0 | 0 | 115.1 | | |
| 543 | H | 29.3 | Very low | 30.5 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 78% | 0.782 | 73% | 0.73 | S | S | * | * | | | trans | 88.3 | 102.6 | 149 | -71.9 | -63 | 0 | 0 | 0 | 122 | | |
| 544 | S | 27 | Very low | 30.4 | Very low | 89 Ų | 89 | 150.6 Ų | 150.6 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | | | trans | 66.1 | 132.1 | 131.1 | 65 | 0 | 0 | 0 | 0 | 121.4 | | |
| 545 | F | 28.2 | Very low | 30.3 | Very low | 206 Ų | 206 | 152.5 Ų | 152.5 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | | | | -170 | -177.4 | 102.8 | -108.4 | -71.9 | 0 | 0 | 0 | 112.7 | | |
| 546 | A | 30.1 | Very low | 30.1 | Very low | 64 Ų | 64 | 147.6 Ų | 147.6 | 53% | 0.529 | 73% | 0.729 | S | S | . | * | | | trans | -87.4 | 151.7 | -154.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 547 | T | 32 | Very low | 30 | Very low | 97 Ų | 97 | 147.1 Ų | 147.1 | 60% | 0.595 | 73% | 0.726 | S | S | * | * | | | trans | 6.9 | 119.1 | 152.3 | 58.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 548 | N | 26.7 | Very low | 29.4 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | | | | -169.6 | 165.7 | 99.5 | -111.2 | -69.4 | 0 | 0 | 0 | 115.9 | | |
| 549 | R | 28.8 | Very low | 29.2 | Very low | 211 Ų | 211 | 145.8 Ų | 145.8 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | | | trans | -68.3 | 169.1 | 173.5 | -61.3 | 166.9 | 163.7 | 147 | -8.8 | 110.6 | | |
| 550 | R | 28 | Very low | 29.1 | Very low | 212 Ų | 212 | 143.6 Ų | 143.6 | 80% | 0.8 | 71% | 0.706 | S | S | * | * | | | cis | 176.4 | 166.6 | 48.7 | -148.4 | 167.1 | -160.8 | 156.3 | -0.3 | 112.2 | | |
| 551 | K | 29.8 | Very low | 29 | Very low | 198 Ų | 198 | 142.8 Ų | 142.8 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | | | trans | 76.2 | 152.4 | 171.1 | -53.3 | 177.2 | 178.7 | -179.4 | 0 | 114.5 | | |
| 552 | S | 29.1 | Very low | 29 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | | | cis | -142.9 | 145.6 | 8.5 | -158.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 553 | R | 29.3 | Very low | 29.1 | Very low | 220 Ų | 220 | 140.9 Ų | 140.9 | 83% | 0.83 | 70% | 0.7 | S | S | * | * | | | | -167 | 147.9 | 68.3 | -87.5 | -170 | -135.9 | -164.2 | 6.4 | 111.8 | | |
| 554 | Y | 30.6 | Very low | 28.9 | Very low | 211 Ų | 211 | 142.5 Ų | 142.5 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | | | trans | 36 | 138.4 | 154.9 | -63.5 | -98.8 | 0 | 0 | 0 | 121 | | |
| 555 | N | 28.7 | Very low | 29 | Very low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | | | cis | 102.2 | 122 | 21.9 | 176.8 | 106.1 | 0 | 0 | 0 | 113.5 | | |
| 556 | S | 30.8 | Very low | 29.1 | Very low | 89 Ų | 89 | 140.3 Ų | 140.3 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | | | cis | -172.1 | 170.9 | -8.9 | -163.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 557 | N | 28 | Very low | 29.3 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | | | trans | 83.4 | 130.7 | 158.1 | -69.3 | 11.1 | 0 | 0 | 0 | 122.6 | | |
| 558 | N | 29.4 | Very low | 29.1 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 68% | 0.684 | 73% | 0.727 | S | S | * | * | | | trans | 82.4 | 105.8 | 144.4 | -65.1 | 3.8 | 0 | 0 | 0 | 123.9 | | |
| 559 | N | 28.5 | Very low | 29.1 | Very low | 76 Ų | 76 | 148.2 Ų | 148.2 | 41% | 0.406 | 73% | 0.727 | S | S | . | * | | | | 71.5 | 148.9 | 128.7 | -57.5 | -7 | 0 | 0 | 0 | 121.8 | L279 K280 | L279-N559 CarbonylContact O-C 3.51Å; L279-N559 VanDerWaalsContact O-CB 3.3Å; L279-N559 WeakPolarHBondContact O-CB 3.49Å; K280-N559 WeakPolarHBondContact CA-O 3.45Å; K280-N559 WeakPolarHBondContact CB-O 3.4Å |
| 560 | N | 29.8 | Very low | 29.1 | Very low | 94 Ų | 94 | 147.5 Ų | 147.5 | 50% | 0.503 | 73% | 0.73 | S | S | . | * | | | cis | -173.4 | 100.3 | -20.6 | -95.9 | -20.5 | 0 | 0 | 0 | 112.9 | K280 | K280-N560 WeakPolarHBondContact CE-O 3.34Å; K280-N560 VanDerWaalsContact CG-N 3.28Å; K280-N560 WeakPolarHBondContact CG-O 3.23Å |
| 561 | N | 27.7 | Very low | 29.1 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | | | trans | 75.7 | 144.2 | 166.8 | -53.7 | -21.5 | 0 | 0 | 0 | 122.1 | K280 | K280-N561 WeakPolarHBondContact CD-O 3.31Å; K280-N561 WeakPolarHBondContact CE-O 3.45Å; K280-N561 PolarHBondContact NZ-O 3.34Å |
| 562 | L | 31.1 | Very low | 29.1 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 62% | 0.618 | 73% | 0.725 | S | S | * | * | | | | -162.8 | 141.8 | 120.6 | -100.4 | 163.3 | 0 | 0 | 0 | 113.5 | K280 | K280-L562 VanDerWaalsContact NZ-CG 3.34Š|
| 563 | D | 28.8 | Very low | 29 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 65% | 0.652 | 73% | 0.734 | S | S | * | * | | | trans | 51 | 110.8 | 145.8 | -65.4 | 1.6 | 0 | 0 | 0 | 126.4 | | |
| 564 | Y | 25.5 | Very low | 28.9 | Very low | 204 Ų | 204 | 138.5 Ų | 138.5 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | | | | 54.8 | 117.8 | 120 | -74.8 | -78.2 | 0 | 0 | 0 | 123.9 | | |
| 565 | S | 27.3 | Very low | 28.9 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | | | | 75.4 | 157.1 | 128.3 | 85.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 566 | N | 30.4 | Very low | 29 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | | | cis | -155.1 | 138.5 | -9.8 | -128.8 | -17.1 | 0 | 0 | 0 | 109.5 | | |
| 567 | L | 34.8 | Very low | 28.9 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 94% | 0.937 | 74% | 0.738 | S | S | * | * | | | trans | -136.1 | 151.7 | 160.8 | -95.4 | 174.3 | 0 | 0 | 0 | 109.6 | | |
| 568 | N | 27.8 | Very low | 28.7 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | | | trans | -113.7 | 167.7 | -147.4 | -157.4 | -9.4 | 0 | 0 | 0 | 113.9 | | |
| 569 | L | 27.6 | Very low | 28.6 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | | | trans | 83.9 | 124.9 | 162.4 | -67.9 | 160.8 | 0 | 0 | 0 | 120 | | |
| 570 | K | 28 | Very low | 28.6 | Very low | 196 Ų | 196 | 148.6 Ų | 148.6 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | | | trans | 68.2 | 121.7 | 157.4 | -60.5 | 171.9 | -177.7 | 177.6 | 0 | 115.2 | | |
| 571 | S | 27.7 | Very low | 28.4 | Very low | 103 Ų | 103 | 153.5 Ų | 153.5 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | cis | -167.2 | -173.5 | 33.9 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 572 | L | 29.9 | Very low | 28.4 | Very low | 160 Ų | 160 | 154.5 Ų | 154.5 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | 70.4 | 104.4 | 164.9 | -68.3 | 162.2 | 0 | 0 | 0 | 118.3 | | |
| 573 | L | 26.9 | Very low | 28.2 | Very low | 168 Ų | 168 | 155.9 Ų | 155.9 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | | | trans | -71.8 | 168.3 | 152.8 | -79.1 | 74.5 | 0 | 0 | 0 | 110.4 | | |
| 574 | S | 27.5 | Very low | 28.2 | Very low | 110 Ų | 110 | 158.2 Ų | 158.2 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | 97.9 | 85.6 | 158.8 | -167.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 575 | N | 29.7 | Very low | 28.5 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | | -156.4 | 177.1 | 113.7 | -125.6 | -48.2 | 0 | 0 | 0 | 114.7 | | |
| 576 | K | 31.9 | Very low | 28.6 | Very low | 168 Ų | 168 | 157 Ų | 157 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | | | trans | -86.5 | 157.8 | -161.8 | -79.1 | 174.4 | 176.3 | 172.8 | 0 | 117.2 | | |
| 577 | Y | 27.9 | Very low | 28.4 | Very low | 205 Ų | 205 | 156 Ų | 156 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 25.4 | 157.5 | 143.1 | -57.2 | -68 | 0 | 0 | 0 | 121.5 | | |
| 578 | M | 24.3 | Very low | 28 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 84% | 0.837 | 77% | 0.769 | S | S | * | * | | | cis | -162.1 | 145.1 | 13.6 | -151.9 | -173.4 | -72.7 | 0 | 0 | 112.1 | | |
| 579 | K | 27.6 | Very low | 28.5 | Very low | 201 Ų | 201 | 149.9 Ų | 149.9 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | | | trans | 177.5 | 149.6 | 153.8 | -107.5 | 179.8 | 177.2 | 178.1 | 0 | 109.9 | | |
| 580 | S | 28.6 | Very low | 28.3 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | cis | -168.2 | 125.6 | -31.3 | 47.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 581 | F | 25.9 | Very low | 28.2 | Very low | 197 Ų | 197 | 149.5 Ų | 149.5 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | | | trans | 19.8 | 127.9 | 160.5 | -82.1 | -93.8 | 0 | 0 | 0 | 121.4 | | |
| 582 | L | 27.5 | Very low | 28.2 | Very low | 161 Ų | 161 | 153.9 Ų | 153.9 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | | -156.4 | 124 | 119.5 | -105.6 | 174.3 | 0 | 0 | 0 | 112.2 | | |
| 583 | M | 27.5 | Very low | 28.2 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | | | trans | 52.9 | 109.6 | 156.1 | -61.9 | -78.1 | 86.6 | 0 | 0 | 122.5 | | |
| 584 | Q | 26.8 | Very low | 28.5 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | -63.5 | -178.4 | 140.3 | -95.6 | 177.7 | -13.6 | 0 | 0 | 111.9 | | |
| 585 | P | 32.6 | Very low | 28.6 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 63% | 0.63 | 74% | 0.735 | S | S | * | * | | | cis | -125.2 | 179.4 | 15.5 | 17.5 | 10.8 | 0 | 0 | 0 | 113.8 | | |
| 586 | F | 28.9 | Very low | 28.4 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 80% | 0.798 | 72% | 0.723 | S | S | * | * | | | cis | -151.1 | -178.8 | 47.4 | -100.2 | -89 | 0 | 0 | 0 | 114.7 | | |
| 587 | L | 27 | Very low | 28.3 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | | | trans | -69.3 | 156.3 | -176.9 | -70.4 | 78.3 | 0 | 0 | 0 | 112.7 | | |
| 588 | I | 26.6 | Very low | 28.2 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 52% | 0.518 | 73% | 0.725 | S | S | . | * | | | cis | 78.1 | 135.4 | 33 | -51.7 | 158.9 | 0 | 0 | 0 | 112.9 | N1391 | I588-N1391 WeakPolarHBondContact CD1-OD1 3.34Š|
| 589 | P | 37.3 | Very low | 28.4 | Very low | 94 Ų | 94 | 139 Ų | 139 | 61% | 0.61 | 72% | 0.719 | S | S | * | * | | | cis | -110.5 | -146.1 | -37.7 | 35.1 | -13.7 | 0 | 0 | 0 | 109.3 | | |
| 590 | D | 24.9 | Very low | 28.5 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | | | cis | -165.8 | 167.9 | 45 | -136.5 | -26.5 | 0 | 0 | 0 | 114.8 | L650 | D590-L650 HydrophobicContact CB-CD2 4.17Š|
| 591 | Y | 24.6 | Very low | 28.8 | Very low | 211 Ų | 211 | 137.7 Ų | 137.7 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | | | trans | -110.8 | 121.8 | 175.7 | -106.3 | -101.7 | 0 | 0 | 0 | 110.8 | | |
| 592 | M | 27.7 | Very low | 29.2 | Very low | 196 Ų | 196 | 130.8 Ų | 130.8 | 97% | 0.966 | 70% | 0.698 | S | S | * | * | | | trans | -149.8 | 169.8 | 153 | -90.4 | -49.6 | 148.9 | 0 | 0 | 111.5 | | |
| 593 | N | 30.2 | Very low | 29.5 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | | | trans | -123.4 | 161.5 | -158.9 | -155.1 | 2.3 | 0 | 0 | 0 | 114.1 | | |
| 594 | T | 34.3 | Very low | 29.7 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 66% | 0.663 | 70% | 0.695 | S | S | * | * | | | trans | 62 | 92.9 | 163.4 | 46.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 595 | S | 28.5 | Very low | 29.7 | Very low | 58 Ų | 58 | 131.3 Ų | 131.3 | 41% | 0.406 | 70% | 0.695 | S | S | . | * | | | | 68.1 | 120.9 | 128 | 69.7 | 0 | 0 | 0 | 0 | 123.9 | N326 N327 | N326-S595 WeakPolarHBondContact OD1-CB 3.45Å; N327-S595 PolarHBondContact ND2-OG 3.26Å |
| 596 | A | 26.5 | Very low | 29.5 | Very low | 67 Ų | 67 | 130.3 Ų | 130.3 | 55% | 0.554 | 70% | 0.695 | S | S | * | * | | | trans | 94.4 | 115.9 | 131.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 597 | Y | 28.2 | Very low | 29.4 | Very low | 234 Ų | 234 | 129 Ų | 129 | 92% | 0.918 | 70% | 0.697 | S | S | * | * | | | trans | -152.2 | 167.5 | 134.5 | -109.4 | -76.5 | 0 | 0 | 0 | 109.6 | | |
| 598 | S | 27.1 | Very low | 29.3 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 67% | 0.671 | 71% | 0.706 | S | S | * | * | | | trans | -120.9 | 170 | -169.7 | 59.1 | 0 | 0 | 0 | 0 | 113 | | |
| 599 | T | 29 | Very low | 29.2 | Very low | 115 Ų | 115 | 137 Ų | 137 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | | 176.7 | 134.2 | 128.6 | 43.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 600 | L | 29.4 | Very low | 28.7 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | trans | 54 | 127.5 | 135.7 | -68.8 | 161.9 | 0 | 0 | 0 | 124.5 | | |
| 601 | N | 34.6 | Very low | 28.6 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | | | | -135.3 | 157.5 | 121.1 | -88.3 | -27.7 | 0 | 0 | 0 | 106 | Y658 | N601-Y658 WeakPolarHBondContact CB-O 3.32Å; N601-Y658 PolarHBondContact ND2-O 2.68Å |
| 602 | G | 34.2 | Very low | 28.6 | Very low | 52 Ų | 52 | 138.5 Ų | 138.5 | 54% | 0.536 | 73% | 0.73 | S | S | . | * | | | cis | 173.3 | 165.4 | -1.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 603 | Y | 33.1 | Very low | 28.7 | Very low | 198 Ų | 198 | 136.6 Ų | 136.6 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | | | trans | 70.9 | 114.7 | -168.3 | -51.2 | -73.1 | 0 | 0 | 0 | 113.8 | | |
| 604 | D | 31.4 | Very low | 28.6 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | | | | 74.1 | 134.1 | 61.7 | -77.3 | -25.4 | 0 | 0 | 0 | 114.5 | | |
| 605 | L | 28 | Very low | 28.3 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | | | cis | -160.7 | 154.3 | -21.4 | -167.4 | 64.8 | 0 | 0 | 0 | 108.5 | | |
| 606 | A | 28.3 | Very low | 28.2 | Very low | 76 Ų | 76 | 144.8 Ų | 144.8 | 63% | 0.628 | 75% | 0.746 | S | S | * | * | | | trans | 66.3 | 112.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 607 | N | 26.9 | Very low | 28.4 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | trans | 66.4 | 134.1 | 136.4 | -66 | -23.2 | 0 | 0 | 0 | 123.2 | | |
| 608 | L | 23.6 | Very low | 28.6 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | | | trans | 76.4 | 138.5 | 153 | -77.2 | 165.6 | 0 | 0 | 0 | 120.3 | | |
| 609 | R | 24.4 | Very low | 28.9 | Very low | 231 Ų | 231 | 143.6 Ų | 143.6 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | | | trans | 71.9 | 118.4 | 167.3 | -68.8 | -173.7 | 173.8 | -171.2 | 0.7 | 119 | | |
| 610 | K | 27.1 | Very low | 29 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | | | | 43.6 | 93.7 | 129.2 | -74.2 | -165.4 | 173.4 | -168.7 | 0 | 117.9 | | |
| 611 | S | 24.1 | Very low | 29.1 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | | | | 61.3 | 152.4 | 105.5 | 70.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 612 | F | 24.7 | Very low | 28.9 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | 81.6 | 141.3 | 146.2 | -82.6 | -58.9 | 0 | 0 | 0 | 120.1 | | |
| 613 | F | 29.3 | Very low | 28.8 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 69% | 0.689 | 77% | 0.765 | S | S | * | * | | | trans | 53 | 111.3 | 168.3 | -58.6 | -68.3 | 0 | 0 | 0 | 116.7 | | |
| 614 | N | 27.5 | Very low | 28.9 | Very low | 130 Ų | 130 | 148.5 Ų | 148.5 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | | 63.4 | 136.5 | 68.9 | -57.2 | 7.7 | 0 | 0 | 0 | 112.5 | | |
| 615 | N | 27.5 | Very low | 28.8 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | | | trans | -142.9 | 66.6 | 162.6 | -98 | -69.1 | 0 | 0 | 0 | 109.8 | | |
| 616 | E | 26.8 | Very low | 28.8 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | -78.8 | 162.1 | 137.7 | -67.2 | -168.8 | 128 | 0 | 0 | 108.5 | | |
| 617 | G | 31.9 | Very low | 28.8 | Very low | 70 Ų | 70 | 144.6 Ų | 144.6 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 63.3 | 71.6 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 618 | S | 32 | Very low | 28.8 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | 13.6 | 109.6 | 144.2 | 56.3 | 0 | 0 | 0 | 0 | 120 | | |
| 619 | K | 33.2 | Very low | 28.9 | Very low | 195 Ų | 195 | 139 Ų | 139 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | trans | 35.5 | 117.5 | 137.9 | -53.8 | 176.1 | 179.1 | 177.7 | 0 | 118.6 | | |
| 620 | Q | 32 | Very low | 29 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | | 174.6 | 140.6 | 95.3 | -93.8 | -156.2 | 15.1 | 0 | 0 | 115.6 | | |
| 621 | N | 30.7 | Very low | 29 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | | | trans | 86.6 | 137.4 | 143.9 | -58.8 | -13.2 | 0 | 0 | 0 | 124.7 | | |
| 622 | F | 30.9 | Very low | 29.3 | Very low | 172 Ų | 172 | 129 Ų | 129 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | trans | 67.2 | 93.1 | 156.2 | -63.7 | -62.2 | 0 | 0 | 0 | 124.9 | | |
| 623 | Q | 32.5 | Very low | 29.5 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | | 69 | 113.9 | 115.2 | -76.3 | -177.5 | -8.7 | 0 | 0 | 125.1 | | |
| 624 | T | 33.7 | Very low | 29.6 | Very low | 127 Ų | 127 | 126 Ų | 126 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | | 93.4 | 115 | 114.8 | -57.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 625 | A | 30.2 | Very low | 29.8 | Very low | 88 Ų | 88 | 126 Ų | 126 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | 91 | 107.5 | 138.7 | 0 | 0 | 0 | 0 | 0 | 126.3 | | |
| 626 | A | 28.3 | Very low | 30.3 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | | 94.8 | 138.1 | 111 | 0 | 0 | 0 | 0 | 0 | 126.5 | | |
| 627 | A | 27.9 | Very low | 30.3 | Very low | 99 Ų | 99 | 118.9 Ų | 118.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | 98.2 | 106.3 | 139.4 | 0 | 0 | 0 | 0 | 0 | 125.7 | | |
| 628 | A | 26.5 | Very low | 30.5 | Very low | 99 Ų | 99 | 121 Ų | 121 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | | 78.1 | 134.8 | 123.1 | 0 | 0 | 0 | 0 | 0 | 127.3 | | |
| 629 | A | 26.2 | Very low | 30.4 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 88% | 0.876 | 76% | 0.758 | S | S | * | * | | | trans | 60.6 | 166.8 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 630 | A | 26.2 | Very low | 30.1 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | cis | -179.9 | 164.7 | -32.1 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 631 | A | 27.2 | Very low | 30 | Very low | 96 Ų | 96 | 118.6 Ų | 118.6 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | | | cis | -171.3 | -171.2 | -25.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 632 | A | 29.5 | Very low | 29.9 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | | | trans | 72.3 | 151.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 633 | A | 30.5 | Very low | 29.8 | Very low | 90 Ų | 90 | 118.8 Ų | 118.8 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | cis | -165.1 | 175.8 | -16 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 634 | L | 31.4 | Very low | 29.5 | Very low | 176 Ų | 176 | 115.8 Ų | 115.8 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | | | trans | 92.4 | 139.8 | 165.7 | -61.7 | 170.4 | 0 | 0 | 0 | 120.2 | | |
| 635 | L | 29.9 | Very low | 29.8 | Very low | 130 Ų | 130 | 115 Ų | 115 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | | | trans | -144.1 | -172.3 | -171.3 | -90.7 | 170 | 0 | 0 | 0 | 106.5 | | |
| 636 | P | 38.4 | Very low | 29.6 | Very low | 69 Ų | 69 | 116 Ų | 116 | 45% | 0.448 | 76% | 0.762 | S | S | . | * | | | cis | -133.5 | 160.7 | -4.8 | 22.7 | 1.5 | 0 | 0 | 0 | 116.6 | L1632 I1633 | P636-L1632 HydrophobicContact CG-CD2 4.27Å; P636-I1633 HydrophobicContact CG-CG1 4.46Å |
| 637 | E | 27.8 | Very low | 29.5 | Very low | 131 Ų | 131 | 120.7 Ų | 120.7 | 61% | 0.612 | 76% | 0.76 | S | S | * | * | | | trans | 49.2 | 163 | 135.3 | -60.3 | -60.8 | 153.6 | 0 | 0 | 123.1 | | |
| 638 | P | 35.4 | Very low | 29.5 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | cis | -127.5 | 178.6 | -16.9 | 36.9 | -20.7 | 0 | 0 | 0 | 114.3 | | |
| 639 | G | 30.5 | Very low | 29.3 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | | | trans | 87.9 | 75.5 | 137.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 640 | L | 26.6 | Very low | 29.4 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | trans | -61.5 | 137.4 | 148.1 | -74.6 | 106.5 | 0 | 0 | 0 | 109.5 | | |
| 641 | F | 29.8 | Very low | 29.9 | Very low | 179 Ų | 179 | 134 Ų | 134 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | | -167.4 | 94.3 | 112.1 | -103.4 | -65.3 | 0 | 0 | 0 | 111.4 | | |
| 642 | I | 28.4 | Very low | 29.9 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | | | trans | -77.3 | 119.2 | 156.1 | -59.6 | 170.8 | 0 | 0 | 0 | 106.3 | | |
| 643 | N | 27.9 | Very low | 29.9 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | trans | -121.2 | 92.9 | 162.5 | -95.2 | -36.4 | 0 | 0 | 0 | 109.2 | | |
| 644 | S | 27.6 | Very low | 30 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | | | trans | -80 | 163.2 | 159.7 | -73.4 | 0 | 0 | 0 | 0 | 110 | | |
| 645 | P | 38.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | trans | -111.6 | 177.7 | -147.9 | 41.8 | -37 | 0 | 0 | 0 | 116 | | |
| 646 | C | 26.1 | Very low | 29.8 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | | | trans | 88.4 | 155 | 155.2 | -59.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 647 | Y | 27.6 | Very low | 29.4 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | | | trans | 91.4 | 86.3 | 165.9 | -71 | -82.1 | 0 | 0 | 0 | 122 | | |
| 648 | Y | 27 | Very low | 29.6 | Very low | 205 Ų | 205 | 138.8 Ų | 138.8 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | | 74.9 | 153.6 | 129.1 | -88.4 | -115.5 | 0 | 0 | 0 | 121.6 | | |
| 649 | W | 23.5 | Very low | 29.3 | Very low | 234 Ų | 234 | 138 Ų | 138 | 89% | 0.886 | 73% | 0.733 | S | S | * | * | | | trans | -128.1 | 126 | 179 | -119.2 | 62.6 | 0 | 0 | 0 | 109.1 | | |
| 650 | L | 27.8 | Very low | 29.4 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | | | trans | -158 | 150 | 150.7 | -104.9 | 134.4 | 0 | 0 | 0 | 108.3 | D590 | D590-L650 HydrophobicContact CB-CD2 4.17Š|
| 651 | P | 36.7 | Very low | 29.6 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | | | trans | -122.3 | 177.3 | -154.7 | 41 | -28.4 | 0 | 0 | 0 | 115.9 | | |
| 652 | S | 26.9 | Very low | 29.7 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | | | trans | 120.7 | 137.2 | 137.9 | -152.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 653 | L | 30.5 | Very low | 29.9 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | | | trans | 65.7 | 129.3 | 156.7 | -70.8 | 158 | 0 | 0 | 0 | 121.7 | | |
| 654 | G | 30.6 | Very low | 30 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | | | trans | 170.7 | 63.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 655 | F | 28.3 | Very low | 30.1 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | | | trans | -69.9 | 143.7 | 179.4 | -86.7 | -97.1 | 0 | 0 | 0 | 114.7 | | |
| 656 | N | 30.3 | Very low | 29.6 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | | | | 161.6 | 157.5 | 116.8 | -85.1 | -42.3 | 0 | 0 | 0 | 112.9 | | |
| 657 | N | 30 | Very low | 29.7 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 50% | 0.503 | 72% | 0.719 | S | S | . | * | | | cis | 178.6 | -169.6 | -35.2 | -128.7 | -47.9 | 0 | 0 | 0 | 108.7 | | |
| 658 | Y | 31 | Very low | 29.9 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | | | trans | 77.9 | 145.3 | 167.8 | -64.5 | -98.6 | 0 | 0 | 0 | 115.6 | N601 | N601-Y658 WeakPolarHBondContact CB-O 3.32Å; N601-Y658 PolarHBondContact ND2-O 2.68Å |
| 659 | T | 29.6 | Very low | 29.9 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 61% | 0.607 | 71% | 0.714 | S | S | * | * | | | cis | -162 | 171.1 | -26.9 | 19.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 660 | K | 31.9 | Very low | 30.1 | Very low | 166 Ų | 166 | 127.6 Ų | 127.6 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | | | trans | 81.9 | 131.5 | 169.3 | -55.7 | 179.7 | -175.6 | 174.3 | 0 | 113.8 | | |
| 661 | N | 31.1 | Very low | 30 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | | | cis | -146.4 | 161.8 | -4.5 | -87.3 | -25 | 0 | 0 | 0 | 106.9 | | |
| 662 | T | 32.8 | Very low | 29.6 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | | | cis | -153.6 | 174 | 11.5 | -14.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 663 | T | 31.9 | Very low | 29.7 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | | | trans | 64.3 | 101.4 | 161.9 | 35.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 664 | T | 30.4 | Very low | 29.4 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | | | trans | 70.6 | 85.7 | 136.8 | 52 | 0 | 0 | 0 | 0 | 122.4 | | |
| 665 | T | 29.8 | Very low | 29.4 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 66% | 0.656 | 72% | 0.722 | S | S | * | * | | | | 48.3 | 135.2 | 114.2 | 58.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 666 | Y | 28.5 | Very low | 29.3 | Very low | 197 Ų | 197 | 137 Ų | 137 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | | | cis | -161.1 | 118.1 | -0.6 | -108.1 | -56.9 | 0 | 0 | 0 | 112 | | |
| 667 | T | 28.2 | Very low | 29.4 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 66% | 0.656 | 72% | 0.718 | S | S | * | * | | | trans | 37.7 | 127 | 137 | 59.5 | 0 | 0 | 0 | 0 | 125 | | |
| 668 | T | 30.6 | Very low | 29.3 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.693 | 73% | 0.731 | S | S | * | * | | | trans | 60.1 | 116.8 | 133.7 | 59.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 669 | D | 27.6 | Very low | 29.2 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | | | | 86.9 | 137.6 | 69.5 | -77 | -53.3 | 0 | 0 | 0 | 114.2 | | |
| 670 | C | 27.4 | Very low | 29.2 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | | | cis | -158.1 | -178.1 | 0.6 | -139.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 671 | V | 25.7 | Very low | 29.3 | Very low | 132 Ų | 132 | 138 Ų | 138 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | | | trans | 84.6 | 129.2 | 168.5 | -170 | 0 | 0 | 0 | 0 | 119.6 | | |
| 672 | K | 29 | Very low | 29.4 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | | | trans | -8.8 | 113 | 170 | -64.2 | 177 | 178.3 | 174.3 | 0 | 119.8 | | |
| 673 | L | 29 | Very low | 29.4 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | | -164.5 | 134.7 | 126.6 | -94.4 | 161.9 | 0 | 0 | 0 | 105.9 | | |
| 674 | Y | 24.2 | Very low | 29.4 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | | | | 45 | 130.3 | 93.6 | -115.6 | -80.7 | 0 | 0 | 0 | 116.3 | | |
| 675 | N | 30.6 | Very low | 29.5 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | 80.4 | 86.9 | 170.4 | -64 | -27.5 | 0 | 0 | 0 | 120.4 | | |
| 676 | D | 25.1 | Very low | 29.6 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | | | | 77.3 | 140.1 | 103.4 | -103.7 | 33 | 0 | 0 | 0 | 124.5 | | |
| 677 | K | 32.4 | Very low | 29.9 | Very low | 162 Ų | 162 | 127.8 Ų | 127.8 | 70% | 0.704 | 71% | 0.705 | S | S | * | * | | | trans | 74.9 | 104.1 | 157.3 | -65.8 | 174.3 | 175.7 | 74.4 | 0 | 116.4 | | |
| 678 | I | 28.4 | Very low | 29.9 | Very low | 150 Ų | 150 | 128.7 Ų | 128.7 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | | | | 67.1 | 118.9 | 58.7 | -55.2 | 161.4 | 0 | 0 | 0 | 111.9 | | |
| 679 | T | 29 | Very low | 29.9 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | | | trans | -132.3 | 108.3 | 152.8 | 49.4 | 0 | 0 | 0 | 0 | 110 | | |
| 680 | N | 29 | Very low | 30.1 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | | | trans | 75.4 | 147.8 | 145.7 | -48 | -10.8 | 0 | 0 | 0 | 117.4 | | |
| 681 | S | 35.1 | Very low | 30.2 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | | | cis | -140.8 | 129.9 | 9.4 | 54.8 | 0 | 0 | 0 | 0 | 115 | | |
| 682 | N | 33.1 | Very low | 30.3 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | | | trans | 73.2 | 149 | 141.1 | -55 | 4.7 | 0 | 0 | 0 | 120 | | |
| 683 | G | 32.6 | Very low | 30.5 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | | | trans | -83.5 | -162.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 684 | N | 31.4 | Very low | 30.5 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 54% | 0.535 | 71% | 0.712 | S | S | . | * | | | cis | -139.8 | 117.6 | 18.3 | -81.5 | -42.5 | 0 | 0 | 0 | 113 | | |
| 685 | N | 33.8 | Very low | 30.8 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | | | trans | -169.5 | 155.2 | 169.4 | -113.8 | -108 | 0 | 0 | 0 | 107.4 | H707 | N685-H707 WeakPolarHBondContact CA-NE2 3.49Å; N685-H707 PolarHBondContact N-NE2 3.22Å |
| 686 | S | 30.9 | Very low | 30.9 | Very low | 66 Ų | 66 | 131.9 Ų | 131.9 | 46% | 0.462 | 73% | 0.725 | S | S | . | * | | | cis | -159.7 | -177.5 | -17.2 | -105.4 | 0 | 0 | 0 | 0 | 108.6 | N706 | S686-N706 PolarHBondContact OG-ND2 2.77Å; S686-N706 PolarHBondContact OG-OD1 2.73Å |
| 687 | V | 34.2 | Very low | 31.2 | Very low | 58 Ų | 58 | 134.3 Ų | 134.3 | 35% | 0.352 | 74% | 0.735 | S | S | . | * | | | trans | -105.2 | 149 | -165.2 | 147.4 | 0 | 0 | 0 | 0 | 117.3 | N706 | V687-N706 WeakPolarHBondContact CB-OD1 3.24Å; V687-N706 PolarHBondContact N-OD1 2.99Å |
| 688 | N | 29.6 | Very low | 30.9 | Very low | 126 Ų | 126 | 135 Ų | 135 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | | | trans | 61 | 127.7 | 156.2 | -77.9 | -13.5 | 0 | 0 | 0 | 123.6 | | |
| 689 | Y | 29.7 | Very low | 31 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | | | trans | 62.3 | 96.4 | 142.4 | -79.5 | -93 | 0 | 0 | 0 | 122.5 | | |
| 690 | V | 31.6 | Very low | 31.2 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | | | | 53.2 | 118.9 | 109.7 | 178 | 0 | 0 | 0 | 0 | 120.6 | | |
| 691 | N | 29.5 | Very low | 31.3 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | | | trans | 58.1 | 145.2 | 155.7 | -61.2 | -15.5 | 0 | 0 | 0 | 118.8 | | |
| 692 | G | 29.2 | Very low | 30.9 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | | | cis | 115.6 | 120.2 | 7.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 693 | G | 32.1 | Very low | 30.9 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 81% | 0.814 | 74% | 0.74 | S | S | * | * | | | trans | 116.4 | 113.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | R695 | G693-R695 PolarHBondContact O-N 2.96Š|
| 694 | N | 29 | Very low | 30.8 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | | | trans | -67.7 | 109.4 | 173.1 | -79.9 | -20.7 | 0 | 0 | 0 | 112.4 | | |
| 695 | R | 31.6 | Very low | 30.8 | Very low | 240 Ų | 240 | 141.7 Ų | 141.7 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | | | trans | -146.6 | 129.6 | 150.9 | -83 | -167.8 | -72.7 | 169.7 | -3.6 | 109.7 | G693 | G693-R695 PolarHBondContact O-N 2.96Š|
| 696 | Y | 31.5 | Very low | 30.5 | Very low | 224 Ų | 224 | 138.7 Ų | 138.7 | 88% | 0.878 | 73% | 0.73 | S | S | * | * | | | trans | -75.1 | 161.7 | 173.2 | -92.1 | -92 | 0 | 0 | 0 | 112.1 | | |
| 697 | M | 30.8 | Very low | 30.5 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 83% | 0.833 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 72.7 | 61 | 171.8 | -48.2 | -53.1 | -81.9 | 0 | 0 | 117.2 | | |
| 698 | L | 27.7 | Very low | 30.4 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 93% | 0.927 | 74% | 0.742 | S | S | * | * | | | | -154.1 | 156.3 | 99.8 | -141.5 | 72.5 | 0 | 0 | 0 | 111.2 | | |
| 699 | Q | 29.6 | Very low | 30.7 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -109.6 | 137.1 | -166 | -169.2 | 113.8 | -4 | 0 | 0 | 112.2 | | |
| 700 | Q | 32.5 | Very low | 30.7 | Very low | 164 Ų | 164 | 137 Ų | 137 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | | | trans | 140.5 | 118 | 133.1 | -74.1 | -163.4 | 17.5 | 0 | 0 | 115.9 | | |
| 701 | L | 31.3 | Very low | 30.7 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | trans | 57.5 | 158.2 | 152.7 | -71.4 | 83.5 | 0 | 0 | 0 | 121.1 | | |
| 702 | T | 27.9 | Very low | 30.5 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | | | | 167.1 | 155.9 | -59.3 | 43 | 0 | 0 | 0 | 0 | 110.5 | | |
| 703 | N | 32.7 | Very low | 30.8 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | | | trans | 87.5 | 137.4 | 168 | -55.1 | -6.9 | 0 | 0 | 0 | 116.9 | | |
| 704 | Q | 30.4 | Very low | 30.3 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | | | cis | 85.6 | 144.8 | 42 | -70.9 | 175.8 | -4.2 | 0 | 0 | 113.4 | | |
| 705 | T | 30.7 | Very low | 30.5 | Very low | 97 Ų | 97 | 146.8 Ų | 146.8 | 60% | 0.595 | 74% | 0.736 | S | S | * | * | | | cis | -171.2 | 174.7 | 6.3 | 28.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 706 | N | 28.5 | Very low | 30.3 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 42% | 0.417 | 72% | 0.72 | S | S | . | * | | | cis | -164.4 | 153.6 | -11.9 | -113 | -2.9 | 0 | 0 | 0 | 112.5 | S686 V687 | S686-N706 PolarHBondContact OG-ND2 2.77Å; S686-N706 PolarHBondContact OG-OD1 2.73Å; V687-N706 WeakPolarHBondContact CB-OD1 3.24Å; V687-N706 PolarHBondContact N-OD1 2.99Å |
| 707 | H | 31.6 | Very low | 30 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 44% | 0.44 | 71% | 0.711 | S | S | . | * | | | trans | 61.1 | 160.1 | 160.4 | -86 | -85.6 | 0 | 0 | 0 | 122.6 | N685 | N685-H707 WeakPolarHBondContact CA-NE2 3.49Å; N685-H707 PolarHBondContact N-NE2 3.22Å |
| 708 | G | 31.4 | Very low | 30.2 | Very low | 61 Ų | 61 | 131.8 Ų | 131.8 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | | | cis | 164.6 | 167.5 | -11 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 709 | V | 35.1 | Very low | 30 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 70% | 0.703 | 68% | 0.678 | S | S | * | * | | | trans | 75.7 | 153.6 | 164.8 | 167 | 0 | 0 | 0 | 0 | 119.1 | | |
| 710 | D | 31 | Very low | 29.7 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 75% | 0.749 | 66% | 0.658 | S | S | * | * | | | cis | -169.2 | -163.4 | -47.9 | -139.7 | -78.1 | 0 | 0 | 0 | 112.5 | | |
| 711 | E | 30 | Very low | 29.2 | Very low | 168 Ų | 168 | 120.6 Ų | 120.6 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | | | trans | 79.7 | 91 | 163.6 | -71 | -143.3 | 137.7 | 0 | 0 | 124.3 | | |
| 712 | S | 27 | Very low | 29.1 | Very low | 87 Ų | 87 | 120.4 Ų | 120.4 | 61% | 0.608 | 65% | 0.653 | S | S | * | * | | | | 80.5 | 152.3 | 115.5 | 93.3 | 0 | 0 | 0 | 0 | 125.6 | | |
| 713 | K | 33.5 | Very low | 28.9 | Very low | 201 Ų | 201 | 119.7 Ų | 119.7 | 87% | 0.874 | 65% | 0.652 | S | S | * | * | | | trans | 83.6 | 158.1 | 160.5 | -69.1 | 171.8 | -174.8 | 166.9 | 0 | 120.3 | | |
| 714 | S | 23.3 | Very low | 28.9 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | | | trans | -149.5 | 147.2 | -154.7 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 715 | Y | 32.4 | Very low | 29 | Very low | 247 Ų | 247 | 122.3 Ų | 122.3 | 97% | 0.969 | 66% | 0.659 | S | S | * | * | | | trans | -158.1 | 164 | 146.3 | -94.4 | -65.2 | 0 | 0 | 0 | 109.2 | | |
| 716 | E | 26.4 | Very low | 29.3 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 57% | 0.565 | 66% | 0.664 | S | S | * | * | | | trans | -136.9 | 153.3 | -161.7 | -152.7 | -178 | -164.3 | 0 | 0 | 114.1 | V306 | V306-E716 WeakPolarHBondContact CG2-OE1 3.33Š|
| 717 | T | 27.2 | Very low | 29.2 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | | | trans | 73.6 | 161.7 | 166.5 | 78.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 718 | P | 34.5 | Very low | 29.2 | Very low | 87 Ų | 87 | 129.7 Ų | 129.7 | 57% | 0.565 | 70% | 0.699 | S | S | * | * | | | cis | -141.3 | 173.2 | -47.1 | 36.2 | -19 | 0 | 0 | 0 | 116.2 | | |
| 719 | K | 22.7 | Very low | 29 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 50% | 0.504 | 70% | 0.695 | S | S | . | * | | | trans | 94.9 | 132.4 | 150.8 | -55.6 | -156.3 | 174.9 | -164.9 | 0 | 122.7 | L301 A302 | L301-K719 HydrophobicContact CB-CD 3.97Å; L301-K719 HydrophobicContact CD2-CB 3.92Å; L301-K719 HydrophobicContact CD2-CD 3.49Å; L301-K719 VanDerWaalsContact CD2-CD 3.49Å; L301-K719 HydrophobicContact CD2-CG 4.3Å; L301-K719 HydrophobicContact CG-CD 4.34Å; L301-K719 WeakPolarHBondContact O-CD 3.3Å; L301-K719 WeakPolarHBondContact O-CE 3.3Å; L301-K719 PolarHBondContact O-NZ 2.66Å; A302-K719 HydrophobicContact CB-CB 4.08Å; A302-K719 HydrophobicContact CB-CG 4.29Å; A302-K719 WeakPolarHBondContact O-CD 3.26Å; A302-K719 WeakPolarHBondContact O-CE 3.33Å; A302-K719 WeakPolarHBondContact O-CG 3.48Å |
| 720 | V | 24.1 | Very low | 28.9 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 41% | 0.406 | 71% | 0.705 | S | S | . | * | | | trans | 73.7 | 106.8 | 155 | -177.4 | 0 | 0 | 0 | 0 | 120.6 | L301 A302 | L301-V720 VanDerWaalsContact CA-CG2 3.48Å; L301-V720 HydrophobicContact CB-CG2 4.34Å; L301-V720 HydrophobicContact CD2-CG2 3.88Å; L301-V720 HydrophobicContact CG-CG2 4.02Å; A302-V720 HydrophobicContact CB-CB 4.32Å; A302-V720 HydrophobicContact CB-CG2 3.49Å; A302-V720 VanDerWaalsContact CB-CG2 3.49Å |
| 721 | S | 22 | Very low | 28.6 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | | | trans | 71.8 | -176.6 | 143.8 | 80.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 722 | I | 28.1 | Very low | 28.6 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 73% | 0.728 | 70% | 0.703 | S | S | * | * | | | trans | 69.9 | 77.4 | 167 | -61.4 | 157.1 | 0 | 0 | 0 | 116.1 | | |
| 723 | S | 24.8 | Very low | 28.8 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | | | | 75.9 | 169.5 | 123.7 | 85 | 0 | 0 | 0 | 0 | 120.8 | | |
| 724 | R | 31.9 | Very low | 28.6 | Very low | 219 Ų | 219 | 136.5 Ų | 136.5 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | | | trans | 54.1 | 98.3 | 151.3 | -71.8 | 174.3 | 179 | -175.1 | -0.6 | 117.8 | P726 | R724-P726 VanDerWaalsContact O-CD 3.24Å; R724-P726 WeakPolarHBondContact O-CD 3.39Å |
| 725 | T | 32.2 | Very low | 28.8 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 77% | 0.767 | 71% | 0.714 | S | S | * | * | | | | -26.7 | 129.8 | 123.9 | 46.4 | 0 | 0 | 0 | 0 | 114 | | |
| 726 | P | 38.1 | Very low | 28.6 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | | | | -110.3 | 127.7 | 123.3 | 32 | -28.6 | 0 | 0 | 0 | 107.5 | R724 | R724-P726 VanDerWaalsContact O-CD 3.24Å; R724-P726 WeakPolarHBondContact O-CD 3.39Å |
| 727 | E | 26.4 | Very low | 28.7 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | | | cis | 36.5 | 98.1 | 38.5 | -78.5 | -148.7 | 133.8 | 0 | 0 | 113.3 | | |
| 728 | N | 32.1 | Very low | 28.8 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | | | trans | -151 | 104.7 | 132.9 | -111.7 | -66.7 | 0 | 0 | 0 | 112.1 | | |
| 729 | S | 25.2 | Very low | 28.4 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 54% | 0.538 | 73% | 0.732 | S | S | . | * | | | trans | -49.2 | 129.1 | 153.5 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 730 | R | 33.7 | Very low | 28.4 | Very low | 242 Ų | 242 | 143.8 Ų | 143.8 | 91% | 0.913 | 75% | 0.752 | S | S | * | * | | | trans | -126.7 | 107.9 | 145.8 | -80 | -174.5 | 170.4 | 162.3 | -2.1 | 106.9 | | |
| 731 | M | 25.7 | Very low | 28.5 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | | | cis | 63.8 | 78.5 | 30.9 | -156.3 | -153 | -61.2 | 0 | 0 | 112.4 | | |
| 732 | A | 29.8 | Very low | 28.8 | Very low | 88 Ų | 88 | 154 Ų | 154 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -167.4 | 143.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 733 | L | 29.7 | Very low | 28.8 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | cis | -161.6 | 125.5 | -10.5 | -121.5 | 172 | 0 | 0 | 0 | 109.4 | | |
| 734 | K | 29.3 | Very low | 28.8 | Very low | 194 Ų | 194 | 156.7 Ų | 156.7 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | -179.3 | 141.8 | 130.9 | -101.6 | 164.2 | -176.3 | 179.2 | 0 | 111.5 | | |
| 735 | S | 29.2 | Very low | 28.6 | Very low | 107 Ų | 107 | 154.9 Ų | 154.9 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | 50.6 | 130.3 | 170 | 55.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 736 | L | 28.1 | Very low | 28.4 | Very low | 153 Ų | 153 | 155.7 Ų | 155.7 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | | | cis | 178 | 134.4 | -35.4 | -111.2 | 161.9 | 0 | 0 | 0 | 106 | | |
| 737 | T | 27 | Very low | 28.2 | Very low | 125 Ų | 125 | 159.5 Ų | 159.5 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | | | trans | 66 | 152 | -178.1 | 81.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 738 | K | 30.3 | Very low | 28.5 | Very low | 196 Ų | 196 | 156.2 Ų | 156.2 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | | | cis | -123.4 | 136.2 | 9.3 | -65.5 | 174.7 | 178.8 | 179.5 | 0 | 111.7 | | |
| 739 | E | 26.1 | Very low | 28.1 | Very low | 155 Ų | 155 | 155.4 Ų | 155.4 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | | | trans | -73.7 | 157.5 | 149.1 | -63.8 | -178.2 | 134.1 | 0 | 0 | 108.9 | K741 | E739-K741 PolarHBondContact O-N 3.39Š|
| 740 | E | 22.9 | Very low | 28.1 | Very low | 198 Ų | 198 | 158.3 Ų | 158.3 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | | | trans | -70.9 | 122.1 | 154.1 | -70.1 | -171.4 | 118.8 | 0 | 0 | 109.6 | | |
| 741 | K | 27 | Very low | 27.9 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | | | trans | -130.9 | 112.6 | 158.2 | -86.5 | -169.3 | 179 | 176.5 | 0 | 111 | E739 | E739-K741 PolarHBondContact O-N 3.39Š|
| 742 | Y | 26.6 | Very low | 28.1 | Very low | 217 Ų | 217 | 152.9 Ų | 152.9 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | trans | 66.9 | 157 | 142 | -86.9 | -98.7 | 0 | 0 | 0 | 120.3 | | |
| 743 | S | 28.6 | Very low | 28.2 | Very low | 103 Ų | 103 | 154.4 Ų | 154.4 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | | | trans | 69.5 | 84.6 | 156.9 | -59.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 744 | Q | 24.4 | Very low | 28.4 | Very low | 189 Ų | 189 | 154.6 Ų | 154.6 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | | | | -12.2 | 126.7 | 123.6 | -60.3 | 166.6 | -23.6 | 0 | 0 | 114.2 | | |
| 745 | K | 28.2 | Very low | 28.6 | Very low | 181 Ų | 181 | 150.8 Ų | 150.8 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | | | | -177.2 | 143.7 | 122.9 | -103.5 | 175.9 | 179.2 | 177.3 | 0 | 113.5 | | |
| 746 | N | 28.1 | Very low | 28.7 | Very low | 141 Ų | 141 | 154.9 Ų | 154.9 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | trans | 64.2 | 127.2 | 142.5 | -60.2 | 1.5 | 0 | 0 | 0 | 121.6 | | |
| 747 | K | 33.1 | Very low | 28.7 | Very low | 188 Ų | 188 | 157.4 Ų | 157.4 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | | | trans | -45.2 | 160.5 | 140.5 | -74.4 | -174.1 | 175.1 | -168.4 | 0 | 111.9 | | |
| 748 | P | 33.9 | Very low | 28.8 | Very low | 103 Ų | 103 | 158 Ų | 158 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | | | cis | -147.2 | -179.3 | 39.8 | 34.7 | -10.1 | 0 | 0 | 0 | 117.6 | | |
| 749 | D | 24 | Very low | 28.4 | Very low | 128 Ų | 128 | 153.7 Ų | 153.7 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | | | | 10.8 | 146.2 | 120.3 | -21.6 | -39.7 | 0 | 0 | 0 | 117 | | |
| 750 | D | 24.5 | Very low | 28.4 | Very low | 139 Ų | 139 | 155.4 Ų | 155.4 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | cis | -142.9 | 169.8 | 4.2 | -101.3 | -49.4 | 0 | 0 | 0 | 108.7 | | |
| 751 | E | 30.4 | Very low | 28.5 | Very low | 175 Ų | 175 | 153.6 Ų | 153.6 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | | -177.6 | 145.2 | 88.2 | -83.7 | -170.4 | 134.1 | 0 | 0 | 108.3 | | |
| 752 | I | 30.2 | Very low | 28.4 | Very low | 110 Ų | 110 | 150.7 Ų | 150.7 | 56% | 0.564 | 75% | 0.754 | S | S | * | * | | | | 70.9 | 119.6 | 54 | -61.5 | 172.3 | 0 | 0 | 0 | 110.8 | | |
| 753 | N | 31.2 | Very low | 28.3 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | | | cis | -132.4 | 174.3 | 1.6 | -77.2 | -63.5 | 0 | 0 | 0 | 109.2 | | |
| 754 | H | 33.6 | Very low | 28.2 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | | | cis | -147.5 | 160.6 | 20.4 | -80.7 | -79.6 | 0 | 0 | 0 | 108.3 | | |
| 755 | T | 33 | Very low | 28.4 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | | | cis | -157.1 | 143.5 | 10.7 | 3.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 756 | K | 31.5 | Very low | 28.5 | Very low | 194 Ų | 194 | 145 Ų | 145 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | trans | 55.3 | 115.4 | 157.8 | -70.8 | -172.7 | 177.1 | -175.8 | 0 | 118 | | |
| 757 | R | 28.3 | Very low | 28.5 | Very low | 206 Ų | 206 | 146.3 Ų | 146.3 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | | | cis | 53.7 | 133.9 | 24.3 | -68.3 | -170.7 | -166.3 | 139.1 | 0.9 | 113.9 | | |
| 758 | D | 28.1 | Very low | 28.3 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | cis | -157.4 | -167.2 | 7.4 | -132.6 | -51.8 | 0 | 0 | 0 | 113.9 | | |
| 759 | C | 23.8 | Very low | 28.2 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | | | trans | -86.7 | 171 | -166.5 | -54.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 760 | K | 26.2 | Very low | 28.6 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | | | trans | 96.5 | 119.8 | 153.4 | -68.2 | -177.2 | 176.4 | 176.9 | 0 | 121.6 | | |
| 761 | L | 24.3 | Very low | 28.9 | Very low | 160 Ų | 160 | 142 Ų | 142 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | | | trans | 78.8 | 140.4 | 137.8 | -68.9 | 165.9 | 0 | 0 | 0 | 122.2 | | |
| 762 | S | 24.4 | Very low | 28.9 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | | | trans | 82.7 | 129.3 | 164.2 | 76.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 763 | N | 24.5 | Very low | 29 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | | | trans | 59.7 | 148.1 | 148.2 | -57.9 | -6.7 | 0 | 0 | 0 | 122.4 | | |
| 764 | G | 27.7 | Very low | 29 | Very low | 73 Ų | 73 | 142.7 Ų | 142.7 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | | | trans | 83.4 | 121.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 765 | Q | 27.4 | Very low | 28.8 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | | | cis | 75.6 | 138.9 | 23.6 | -145.2 | -178.2 | 13.5 | 0 | 0 | 115.1 | | |
| 766 | I | 29.6 | Very low | 28.6 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | | | trans | 78.2 | 90.5 | 175.7 | -51 | -178.6 | 0 | 0 | 0 | 114.3 | | |
| 767 | H | 28.1 | Very low | 28.5 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | | 67.7 | 106.7 | 102.3 | -97.6 | -44.9 | 0 | 0 | 0 | 115.2 | | |
| 768 | T | 30.7 | Very low | 29 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | | | | 170.1 | 175 | 94.4 | 40.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 769 | N | 30.9 | Very low | 29.1 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | | | cis | -172.9 | 169.3 | -26.9 | -88.7 | -5.6 | 0 | 0 | 0 | 106 | | |
| 770 | N | 31.6 | Very low | 29.4 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | | | cis | -170.8 | 157.7 | -33.1 | -91.9 | -15.2 | 0 | 0 | 0 | 107.8 | | |
| 771 | V | 32 | Very low | 29.8 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | | | cis | -173.5 | 157.6 | -25.6 | 70.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 772 | N | 30.8 | Very low | 30 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | | | trans | 68 | 161 | 161.1 | -69.9 | -28.6 | 0 | 0 | 0 | 119.9 | | |
| 773 | K | 30.9 | Very low | 30.3 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | | | cis | -170.6 | 153 | -31.9 | -110.6 | 177.4 | 178.1 | -175.7 | 0 | 110.2 | | |
| 774 | I | 31.2 | Very low | 30.6 | Very low | 131 Ų | 131 | 137 Ų | 137 | 67% | 0.672 | 74% | 0.744 | S | S | * | * | | | trans | 49.7 | 122.9 | 139.2 | -64 | 171.6 | 0 | 0 | 0 | 119.4 | | |
| 775 | I | 30.3 | Very low | 30.8 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 56% | 0.564 | 75% | 0.752 | S | S | * | * | | | | 74.9 | 140.5 | 60.7 | -69.4 | 169.1 | 0 | 0 | 0 | 112.5 | | |
| 776 | S | 28.6 | Very low | 30.8 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | cis | -133.7 | -121.3 | 19.9 | 62.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 777 | N | 29.5 | Very low | 30.9 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | | | trans | -164.3 | 148.2 | -172.4 | -124.7 | 10.8 | 0 | 0 | 0 | 110.6 | | |
| 778 | P | 38.6 | Very low | 31 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | trans | -127.9 | 151.8 | 179 | 39.9 | -27.5 | 0 | 0 | 0 | 116.9 | | |
| 779 | I | 30.9 | Very low | 30.9 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | | | trans | -138.1 | 141.6 | 155.4 | -67.3 | -171.7 | 0 | 0 | 0 | 110.5 | | |
| 780 | S | 29.6 | Very low | 31 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | | | trans | -67.6 | 155 | -169.2 | 59.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 781 | R | 34.7 | Very low | 31 | Very low | 248 Ų | 248 | 134.9 Ų | 134.9 | 94% | 0.936 | 73% | 0.728 | S | S | * | * | | | | -166.5 | 168.7 | 101.2 | -100.2 | 171.7 | -171.2 | -171.5 | 2.6 | 111.9 | | |
| 782 | S | 28.5 | Very low | 30.9 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | | | trans | -127.9 | 144.1 | -158.6 | 55 | 0 | 0 | 0 | 0 | 114.7 | | |
| 783 | M | 30.1 | Very low | 30.9 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 94% | 0.936 | 73% | 0.725 | S | S | * | * | | | trans | -158.2 | 156.8 | 144.8 | -105.3 | -59.4 | -177.9 | 0 | 0 | 109.2 | | |
| 784 | T | 30.7 | Very low | 30.9 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | | | trans | -128.8 | 130.5 | -160.8 | -37.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 785 | K | 31.9 | Very low | 31 | Very low | 210 Ų | 210 | 128.9 Ų | 128.9 | 91% | 0.913 | 71% | 0.706 | S | S | * | * | | | trans | -160.5 | 153.4 | 147.3 | -110.7 | 165.5 | -175.5 | -179.6 | 0 | 109.8 | | |
| 786 | L | 28.3 | Very low | 30.9 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | | | trans | -130.9 | 171 | -167.2 | -82.7 | 167.3 | 0 | 0 | 0 | 111.6 | | |
| 787 | N | 31.1 | Very low | 30.9 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 77% | 0.765 | 72% | 0.724 | S | S | * | * | | | trans | 81.6 | 122.4 | 175.6 | -49.2 | -7.5 | 0 | 0 | 0 | 114 | | |
| 788 | S | 29.6 | Very low | 31 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | | | cis | 81.5 | 136.5 | 29.6 | 86.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 789 | L | 28.3 | Very low | 30.8 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | | | cis | -169 | 169.7 | -2.8 | -118.2 | 173.9 | 0 | 0 | 0 | 109.2 | | |
| 790 | T | 34.3 | Very low | 30.9 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 57% | 0.571 | 69% | 0.689 | S | S | * | * | | | trans | 53.5 | -177.5 | 154 | 60 | 0 | 0 | 0 | 0 | 119.7 | E792 | T790-E792 WeakPolarHBondContact CA-OE2 3.49Å; T790-E792 WeakPolarHBondContact CB-OE2 3.5Å; T790-E792 VanDerWaalsContact CG2-OE2 3.25Å; T790-E792 WeakPolarHBondContact CG2-OE2 3.41Å |
| 791 | P | 31.2 | Very low | 31.1 | Very low | 56 Ų | 56 | 128.5 Ų | 128.5 | 36% | 0.364 | 68% | 0.684 | S | S | . | * | | | cis | -106.1 | 176.3 | -28.3 | 7.2 | 15.5 | 0 | 0 | 0 | 112.7 | N802 | P791-N802 WeakPolarHBondContact CA-OD1 3.37Å; P791-N802 WeakPolarHBondContact CB-OD1 3.37Å; P791-N802 WeakPolarHBondContact CD-OD1 3.48Å; P791-N802 WeakPolarHBondContact CG-OD1 3.4Å; P791-N802 PolarHBondContact O-OD1 3.48Å |
| 792 | E | 29.1 | Very low | 30.9 | Very low | 114 Ų | 114 | 120 Ų | 120 | 53% | 0.533 | 66% | 0.657 | S | S | . | * | | | cis | 96.4 | 145.4 | 11.6 | -69.2 | 77.6 | -98.4 | 0 | 0 | 120.1 | T790 N802 | T790-E792 WeakPolarHBondContact CA-OE2 3.49Å; T790-E792 WeakPolarHBondContact CB-OE2 3.5Å; T790-E792 VanDerWaalsContact CG2-OE2 3.25Å; T790-E792 WeakPolarHBondContact CG2-OE2 3.41Å; E792-N802 PolarHBondContact N-OD1 3.05Å; E792-N802 PolarHBondContact O-ND2 3.41Å; E792-N802 PolarHBondContact O-OD1 3.1Å |
| 793 | D | 31.4 | Very low | 30.9 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | | | trans | 62 | 126.7 | 164.3 | -60.2 | -29.5 | 0 | 0 | 0 | 126.5 | E801 | D793-E801 PolarHBondContact O-N 3.4Š|
| 794 | A | 31.4 | Very low | 31.1 | Very low | 71 Ų | 71 | 121.7 Ų | 121.7 | 59% | 0.587 | 65% | 0.65 | S | S | * | * | | | trans | -160.1 | 105.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115 | E801 | A794-E801 HydrophobicContact CB-CG 4.49Š|
| 795 | I | 34.1 | Very low | 30.8 | Very low | 80 Ų | 80 | 121.3 Ų | 121.3 | 41% | 0.41 | 65% | 0.653 | S | S | . | * | S | Bend | trans | 42.1 | 126.1 | 143.4 | -2.6 | 177.8 | 0 | 0 | 0 | 120 | N799 F800 | I795-N799 WeakPolarHBondContact CG2-OD1 3.33Å; I795-F800 HydrophobicContact CD1-CE2 4.1Å; I795-F800 HydrophobicContact CD1-CZ 4.27Å |
| 796 | N | 26.9 | Very low | 30.6 | Very low | 162 Ų | 162 | 116.7 Ų | 116.7 | 87% | 0.866 | 65% | 0.647 | S | S | * | * | S | Bend | cis | -107.3 | 149.7 | 3.5 | -59.2 | -75.1 | 0 | 0 | 0 | 110.9 | | |
| 797 | S | 28.4 | Very low | 30.5 | Very low | 106 Ų | 106 | 113.6 Ų | 113.6 | 74% | 0.741 | 64% | 0.642 | S | S | * | * | S | Bend | cis | -89.2 | 139.5 | -0.5 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 798 | D | 32.7 | Very low | 30.5 | Very low | 130 Ų | 130 | 115.1 Ų | 115.1 | 70% | 0.695 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 64.9 | 70 | 161.2 | -58.9 | -33.6 | 0 | 0 | 0 | 120.1 | | |
| 799 | N | 32.8 | Very low | 30.5 | Very low | 84 Ų | 84 | 116.6 Ų | 116.6 | 45% | 0.449 | 64% | 0.642 | S | S | . | * | | | | 65.3 | 102.6 | 110.4 | -73 | -61.7 | 0 | 0 | 0 | 120.1 | I795 | I795-N799 WeakPolarHBondContact CG2-OD1 3.33Š|
| 800 | F | 33.8 | Very low | 30.3 | Very low | 144 Ų | 144 | 116.8 Ų | 116.8 | 63% | 0.632 | 64% | 0.643 | S | S | * | * | | | trans | 79.5 | 92.1 | 147.9 | -70.4 | -77.6 | 0 | 0 | 0 | 122 | I795 | I795-F800 HydrophobicContact CD1-CE2 4.1Å; I795-F800 HydrophobicContact CD1-CZ 4.27Å |
| 801 | E | 33.3 | Very low | 29.9 | Very low | 118 Ų | 118 | 117.9 Ų | 117.9 | 55% | 0.551 | 65% | 0.65 | S | S | * | * | | | | 46.2 | 109.9 | 109.4 | -67.5 | -163.1 | 118.3 | 0 | 0 | 120.7 | D793 A794 | D793-E801 PolarHBondContact O-N 3.4Å; A794-E801 HydrophobicContact CB-CG 4.49Å |
| 802 | N | 30.1 | Very low | 29.7 | Very low | 71 Ų | 71 | 120.5 Ų | 120.5 | 38% | 0.38 | 67% | 0.665 | S | S | . | * | | | | 53.4 | 119.5 | 112.7 | -74.6 | -32.2 | 0 | 0 | 0 | 124.3 | P791 E792 | P791-N802 WeakPolarHBondContact CA-OD1 3.37Å; P791-N802 WeakPolarHBondContact CB-OD1 3.37Å; P791-N802 WeakPolarHBondContact CD-OD1 3.48Å; P791-N802 WeakPolarHBondContact CG-OD1 3.4Å; P791-N802 PolarHBondContact O-OD1 3.48Å; E792-N802 PolarHBondContact N-OD1 3.05Å; E792-N802 PolarHBondContact O-ND2 3.41Å; E792-N802 PolarHBondContact O-OD1 3.1Å |
| 803 | R | 29.5 | Very low | 29.8 | Very low | 222 Ų | 222 | 121.1 Ų | 121.1 | 84% | 0.838 | 67% | 0.672 | S | S | * | * | | | trans | 86.5 | 156.3 | 138.1 | -78.2 | -166.5 | 164.9 | -166.7 | -3.3 | 119.9 | | |
| 804 | P | 33.7 | Very low | 29.7 | Very low | 111 Ų | 111 | 120.5 Ų | 120.5 | 72% | 0.721 | 67% | 0.669 | S | S | * | * | | | trans | -129.4 | 173.1 | -145.5 | 43.4 | -28.9 | 0 | 0 | 0 | 115.4 | | |
| 805 | S | 25.2 | Very low | 29.7 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | | | | 152.5 | 165.1 | 120.7 | 62 | 0 | 0 | 0 | 0 | 113.3 | | |
| 806 | S | 27 | Very low | 29.5 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | | | trans | 75.2 | 131.9 | 176 | 83.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 807 | A | 26.5 | Very low | 29.7 | Very low | 82 Ų | 82 | 124.1 Ų | 124.1 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | | | trans | 66.8 | 143.5 | 139.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 808 | K | 31.7 | Very low | 29.9 | Very low | 175 Ų | 175 | 128.2 Ų | 128.2 | 76% | 0.761 | 69% | 0.69 | S | S | * | * | | | trans | 76.5 | 134.5 | 151.2 | -73.6 | 172.4 | -178.5 | 179.5 | 0 | 119.8 | | |
| 809 | D | 28.4 | Very low | 29.8 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | | | | 48 | 93.7 | 129.9 | -42 | -24.3 | 0 | 0 | 0 | 115.6 | | |
| 810 | L | 24.6 | Very low | 29.4 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 78% | 0.775 | 71% | 0.711 | S | S | * | * | | | | 42.9 | 114.7 | 84.6 | -75.1 | 169.1 | 0 | 0 | 0 | 113.9 | | |
| 811 | T | 25.7 | Very low | 29.1 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | | | trans | 70.2 | 146.3 | 142.3 | 63 | 0 | 0 | 0 | 0 | 117.7 | | |
| 812 | T | 27.6 | Very low | 29 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 68% | 0.681 | 73% | 0.73 | S | S | * | * | | | cis | -162.8 | -145 | -9.9 | 22.1 | 0 | 0 | 0 | 0 | 105.6 | | |
| 813 | N | 30.7 | Very low | 28.8 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | | | trans | 95.5 | 136.4 | 147.1 | -54.4 | -1.9 | 0 | 0 | 0 | 115.9 | | |
| 814 | D | 29.8 | Very low | 28.6 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | | | cis | -157.3 | 118.9 | -10.7 | -122.5 | -36.2 | 0 | 0 | 0 | 113.8 | | |
| 815 | V | 31.3 | Very low | 28.3 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -156.4 | 115.9 | 139 | -172.6 | 0 | 0 | 0 | 0 | 103.6 | | |
| 816 | Q | 30.1 | Very low | 28.4 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | S | Bend | cis | -153.9 | 124.9 | 21.5 | -136.4 | 162.4 | 28.4 | 0 | 0 | 110.7 | | |
| 817 | S | 30.3 | Very low | 28.5 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | | | trans | 65.3 | 147.1 | 148.5 | 70.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 818 | K | 33.6 | Very low | 28.6 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | | | cis | -160 | 153.5 | -19 | -119.9 | 179.9 | -179.3 | 178.3 | 0 | 110.4 | | |
| 819 | S | 30.1 | Very low | 28.4 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | 48.5 | 100 | 152.2 | 59.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 820 | V | 25.2 | Very low | 28.3 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -56.1 | 151.6 | 141.6 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 821 | N | 26 | Very low | 28.7 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | | 161.7 | 178.1 | 113.6 | -146.7 | -7.7 | 0 | 0 | 0 | 114.7 | | |
| 822 | V | 31.4 | Very low | 29 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | trans | 92 | 140.5 | 168.5 | -167.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 823 | S | 25.9 | Very low | 29.3 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | -117.1 | -179.2 | -160.7 | -42.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 824 | S | 26.2 | Very low | 29.2 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | 95.6 | 163 | 144.9 | 83.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 825 | M | 27.1 | Very low | 28.9 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | 61.8 | 114.4 | 167.6 | -95.1 | 52.3 | 173.4 | 0 | 0 | 120 | | |
| 826 | S | 27.3 | Very low | 28.7 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | -85.6 | 147 | 158.1 | 50.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 827 | I | 29.5 | Very low | 28.6 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | trans | -168.8 | 139.8 | 156.6 | -107.3 | 153.3 | 0 | 0 | 0 | 112.3 | | |
| 828 | Y | 28.2 | Very low | 28.4 | Very low | 188 Ų | 188 | 129.3 Ų | 129.3 | 74% | 0.737 | 76% | 0.761 | S | S | * | * | | | trans | 50.5 | 122.7 | 156.9 | -83.3 | -120 | 0 | 0 | 0 | 124.6 | | |
| 829 | K | 27.1 | Very low | 28 | Very low | 183 Ų | 183 | 128.6 Ų | 128.6 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | | 26.4 | 135.8 | 127.2 | -59.1 | 179.9 | -177.3 | 173.8 | 0 | 121.4 | | |
| 830 | G | 27.3 | Very low | 27.9 | Very low | 64 Ų | 64 | 129.7 Ų | 129.7 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | | | trans | 156.6 | 112.7 | 135.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 831 | S | 31.7 | Very low | 27.9 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | | | trans | 57.6 | 155.1 | 166.9 | 30.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 832 | S | 33.6 | Very low | 28 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | cis | -162.9 | 154 | -10.6 | 39.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 833 | S | 33.3 | Very low | 27.7 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | cis | -160.7 | -174.4 | -1.7 | 43 | 0 | 0 | 0 | 0 | 109.9 | | |
| 834 | C | 28.8 | Very low | 27.8 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 72% | 0.716 | 76% | 0.758 | S | S | * | * | | | trans | -7.1 | 135 | 165.1 | 55.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 835 | N | 23.6 | Very low | 27.8 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | | | cis | 70.6 | 150.7 | 34.5 | -158.2 | 28.5 | 0 | 0 | 0 | 116 | | |
| 836 | S | 27.4 | Very low | 27.8 | Very low | 83 Ų | 83 | 133 Ų | 133 | 58% | 0.58 | 74% | 0.743 | S | S | * | * | | | trans | 92.9 | 120.8 | 162.4 | -54.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 837 | N | 27.8 | Very low | 28 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | | | | 80.3 | 99.3 | 128.4 | -63.7 | 4.8 | 0 | 0 | 0 | 123 | | |
| 838 | S | 24.8 | Very low | 27.9 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | | | | 72.2 | 134.1 | 110.8 | 77.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 839 | K | 25.4 | Very low | 27.8 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | trans | 74 | 158.6 | 138.7 | -76.7 | 178.8 | 177.6 | -177.9 | 0 | 120.5 | | |
| 840 | T | 29 | Very low | 28.1 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | 69.4 | 107.5 | 157.8 | 36 | 0 | 0 | 0 | 0 | 121.6 | | |
| 841 | N | 25.1 | Very low | 28.3 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | | | trans | -10.6 | 124.1 | 133 | -60.4 | -22 | 0 | 0 | 0 | 117.3 | | |
| 842 | R | 27.4 | Very low | 28.2 | Very low | 219 Ų | 219 | 130 Ų | 130 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | | | | -176.2 | 130.8 | 115.6 | -96.8 | -158.2 | 145.6 | 113.6 | -5.6 | 108.2 | | |
| 843 | I | 25.6 | Very low | 28.1 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 60% | 0.6 | 71% | 0.706 | S | S | * | * | | | | 76.4 | 123.3 | 70.2 | -74.7 | 177.9 | 0 | 0 | 0 | 112.8 | | |
| 844 | Q | 27.6 | Very low | 28.2 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | | | trans | 64.3 | 159.5 | 162.8 | -77.5 | 158.5 | -25.2 | 0 | 0 | 118 | | |
| 845 | S | 25.8 | Very low | 28 | Very low | 82 Ų | 82 | 132 Ų | 132 | 57% | 0.573 | 71% | 0.708 | S | S | * | * | | | cis | -173 | 179.9 | -36.8 | 53.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 846 | T | 27.2 | Very low | 28.4 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | | | trans | 51.6 | 137.3 | 143.6 | 50.2 | 0 | 0 | 0 | 0 | 121 | | |
| 847 | T | 31.7 | Very low | 28.6 | Very low | 102 Ų | 102 | 132 Ų | 132 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | | | cis | -168.8 | -169.9 | -14.3 | 17.4 | 0 | 0 | 0 | 0 | 105.7 | | |
| 848 | D | 28 | Very low | 28.7 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | | | trans | 80.7 | 140.3 | 146.7 | -53 | -48.6 | 0 | 0 | 0 | 120.7 | | |
| 849 | Y | 26.9 | Very low | 28.8 | Very low | 195 Ų | 195 | 136.5 Ų | 136.5 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | | | cis | -167.5 | -176.4 | -37.8 | -135.9 | -96.4 | 0 | 0 | 0 | 106.6 | | |
| 850 | L | 33.4 | Very low | 28.9 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | | | trans | 73.1 | 147.6 | 167.2 | -44.3 | -178.5 | 0 | 0 | 0 | 115.9 | | |
| 851 | N | 30.6 | Very low | 29.1 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | | | cis | -168.1 | 167.4 | -14.4 | -108.3 | 6.6 | 0 | 0 | 0 | 108.5 | | |
| 852 | S | 30.1 | Very low | 29.3 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 50% | 0.497 | 71% | 0.714 | S | S | . | * | | | cis | -176.9 | 177.7 | -25.2 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 853 | D | 31.3 | Very low | 29.4 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | | | trans | 65.3 | 156.7 | 153.4 | -55.1 | -49.2 | 0 | 0 | 0 | 119.8 | N855 | D853-N855 PolarHBondContact OD1-ND2 3.24Š|
| 854 | S | 34 | Very low | 29.6 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | | | cis | -130.2 | 152.8 | 2.5 | -59.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 855 | N | 26.4 | Very low | 29.7 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | | | cis | 92.4 | 153.4 | 28.4 | -77.2 | -35.7 | 0 | 0 | 0 | 116.8 | D853 | D853-N855 PolarHBondContact OD1-ND2 3.24Š|
| 856 | S | 31.4 | Very low | 30 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | | | trans | 73.9 | 129.2 | -176 | 65.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 857 | D | 30.7 | Very low | 30.1 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 68% | 0.684 | 71% | 0.708 | S | S | * | * | | | cis | 86.1 | 145.5 | 45.9 | -76.5 | -31.6 | 0 | 0 | 0 | 113.5 | | |
| 858 | K | 29.9 | Very low | 30 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 68% | 0.683 | 72% | 0.715 | S | S | * | * | | | cis | -164.6 | 174.8 | -9.7 | -119.6 | 173.4 | -168.4 | 84.3 | 0 | 109.2 | | |
| 859 | L | 28.6 | Very low | 30 | Very low | 176 Ų | 176 | 128 Ų | 128 | 92% | 0.921 | 71% | 0.714 | S | S | * | * | | | trans | 69.7 | 155 | 167.6 | -56.9 | 133 | 0 | 0 | 0 | 117.2 | | |
| 860 | G | 26.4 | Very low | 30.3 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | | | cis | 158.4 | 81.8 | -13.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 861 | S | 33.1 | Very low | 30 | Very low | 116 Ų | 116 | 123 Ų | 123 | 81% | 0.811 | 71% | 0.708 | S | S | * | * | | | trans | -176.1 | 155.4 | 168.3 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 862 | V | 30.2 | Very low | 29.8 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | | | cis | -158.2 | 151 | -12.8 | 122.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 863 | K | 28.1 | Very low | 29.7 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 67% | 0.67 | 72% | 0.721 | S | S | * | * | | | trans | 10.6 | 142.7 | 161 | -44.5 | 175.2 | -175.3 | 177.3 | 0 | 119.8 | | |
| 864 | Y | 30.4 | Very low | 29.3 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 70% | 0.702 | 73% | 0.729 | S | S | * | * | | | cis | -154.8 | 132.2 | 44.4 | -104.8 | -81.6 | 0 | 0 | 0 | 114 | | |
| 865 | T | 30.8 | Very low | 28.9 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | | | trans | 49.3 | 139.9 | 142.8 | 49.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 866 | S | 30.4 | Very low | 28.7 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | | | cis | -164.9 | 147.4 | -1.2 | 43.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 867 | T | 30.5 | Very low | 28.7 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | | | trans | 52.9 | 106.1 | 147.7 | 56.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 868 | E | 29.6 | Very low | 28.6 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | | | | 80 | 116.7 | 69.5 | -72.9 | 164 | -178.1 | 0 | 0 | 111.8 | | |
| 869 | S | 28.2 | Very low | 28.4 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | | | | 81.5 | 151.6 | 67 | 95.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 870 | N | 31.4 | Very low | 28.3 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | | | cis | -151.6 | 146.5 | 28.4 | -130.7 | -11.7 | 0 | 0 | 0 | 110.7 | | |
| 871 | S | 28.7 | Very low | 28.3 | Very low | 92 Ų | 92 | 135 Ų | 135 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | | | | 84.7 | 145.3 | 106.6 | 73.3 | 0 | 0 | 0 | 0 | 116 | | |
| 872 | E | 26.5 | Very low | 27.9 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | cis | -168.5 | 165.8 | -13.9 | -113.8 | -163.5 | 127.9 | 0 | 0 | 110.1 | | |
| 873 | V | 26.6 | Very low | 27.8 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | | | trans | 51.6 | 145.5 | 138.2 | 167.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 874 | M | 24.3 | Very low | 27.7 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | | | cis | -177.5 | -172.2 | -24.2 | -153.3 | -179.8 | -155.2 | 0 | 0 | 109.2 | | |
| 875 | L | 24.7 | Very low | 27.6 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | | | trans | 82.6 | 173.2 | 153.5 | -72.7 | 157.6 | 0 | 0 | 0 | 119.9 | | |
| 876 | M | 22.5 | Very low | 27.2 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | | | trans | -139.1 | 170.9 | -152.9 | -64.4 | -174.6 | -71.8 | 0 | 0 | 113.6 | | |
| 877 | N | 31.4 | Very low | 26.9 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | -24.4 | 140.3 | 174.5 | -62.8 | -1.1 | 0 | 0 | 0 | 118.5 | | |
| 878 | I | 29.3 | Very low | 26.6 | Very low | 169 Ų | 169 | 136.3 Ų | 136.3 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | | | trans | -132.7 | 156.3 | 155.8 | -69.8 | -173.5 | 0 | 0 | 0 | 111.2 | | |
| 879 | S | 24.3 | Very low | 26.2 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -75.8 | 175.9 | -172.2 | -44.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 880 | N | 26.3 | Very low | 26 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | 1.3 | 149.6 | 148.7 | -72.7 | -11.4 | 0 | 0 | 0 | 122.1 | | |
| 881 | S | 26.8 | Very low | 25.8 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | 105.1 | 141.3 | 139.1 | 77.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 882 | L | 25.6 | Very low | 26.1 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | | | trans | 66.2 | 126.3 | 171.6 | -65.2 | 160.4 | 0 | 0 | 0 | 117.7 | | |
| 883 | G | 28.5 | Very low | 26.1 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | 87 | 74.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 884 | Q | 25.1 | Very low | 25.9 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | | 49.4 | 124.7 | 75.3 | -75 | -79.7 | 3.8 | 0 | 0 | 115.1 | | |
| 885 | P | 28.8 | Very low | 26.2 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | cis | -117.7 | 160.1 | -38.4 | 35.9 | -22.3 | 0 | 0 | 0 | 110.8 | | |
| 886 | I | 22.8 | Very low | 26.3 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | | | cis | 67.5 | 80.1 | 47.3 | -48.2 | 179.6 | 0 | 0 | 0 | 114.8 | | |
| 887 | S | 23.3 | Very low | 26.7 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | -159.9 | 129 | 153.1 | 49.5 | 0 | 0 | 0 | 0 | 109 | | |
| 888 | I | 23.3 | Very low | 26.4 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | | | cis | 91.5 | 124.2 | 45 | -68.1 | 165.3 | 0 | 0 | 0 | 112.2 | | |
| 889 | I | 22.9 | Very low | 26.5 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | | | trans | 78.1 | 125.9 | 157.3 | -81.9 | 167.4 | 0 | 0 | 0 | 121.3 | | |
| 890 | T | 22.7 | Very low | 26.6 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 77% | 0.767 | 72% | 0.719 | S | S | * | * | | | trans | 52.3 | 160.9 | 152.1 | 60.7 | 0 | 0 | 0 | 0 | 124.5 | | |
| 891 | N | 27 | Very low | 26.8 | Very low | 149 Ų | 149 | 126.5 Ų | 126.5 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | | | trans | -51.3 | 168.6 | 153.7 | -32 | -45.6 | 0 | 0 | 0 | 112 | | |
| 892 | P | 35 | Very low | 27.1 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | | | cis | -134 | -172.5 | 1.5 | 42.7 | -25.2 | 0 | 0 | 0 | 115.1 | | |
| 893 | I | 26 | Very low | 27.4 | Very low | 155 Ų | 155 | 126.9 Ų | 126.9 | 80% | 0.795 | 70% | 0.7 | S | S | * | * | | | trans | -2.5 | 122.5 | 153.9 | -53.7 | 160.7 | 0 | 0 | 0 | 117.5 | | |
| 894 | Q | 23.1 | Very low | 27.3 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 84% | 0.841 | 70% | 0.702 | S | S | * | * | | | | -161.9 | 159.9 | 118.6 | -117.1 | 177.2 | -37.9 | 0 | 0 | 113.7 | | |
| 895 | I | 30.6 | Very low | 27.6 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | | | trans | -127.6 | 151.1 | 171.7 | -61 | 169.6 | 0 | 0 | 0 | 105.7 | | |
| 896 | D | 27 | Very low | 27.6 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | | | trans | 147.6 | 161.9 | 153.5 | -80.2 | -17.6 | 0 | 0 | 0 | 111.1 | | |
| 897 | T | 30.6 | Very low | 27.9 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 45% | 0.454 | 70% | 0.699 | S | S | . | * | | | cis | -156.2 | 166.2 | -1.7 | 3.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 898 | L | 26 | Very low | 28.3 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 58% | 0.576 | 70% | 0.704 | S | S | * | * | | | trans | -144.7 | 141.7 | 155.6 | -62.3 | 174.3 | 0 | 0 | 0 | 111.8 | N1533 | L898-N1533 HydrophobicContact CB-CB 4.36Å; L898-N1533 VanDerWaalsContact CB-OD1 3.32Å; L898-N1533 WeakPolarHBondContact CB-OD1 3.24Å; L898-N1533 WeakPolarHBondContact CD1-OD1 3.49Å |
| 899 | Q | 30.6 | Very low | 28.6 | Very low | 61 Ų | 61 | 129 Ų | 129 | 29% | 0.285 | 71% | 0.708 | S | S | . | * | | | trans | -123.6 | -160.3 | -168.7 | -32.2 | 92 | -64.9 | 0 | 0 | 111.7 | T1532 N1533 | Q899-T1532 HydrophobicContact CB-CG2 3.83Å; Q899-T1532 HydrophobicContact CG-CG2 4.48Å; Q899-T1532 VanDerWaalsContact OE1-N 3.12Å; Q899-N1533 WeakPolarHBondContact O-CB 3.3Å; Q899-N1533 PolarHBondContact O-ND2 3.46Å |
| 900 | M | 26.9 | Very low | 29 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 71% | 0.714 | 72% | 0.717 | S | S | * | * | | | cis | -163.3 | -156.9 | 0.4 | -130.4 | 158.6 | 69.5 | 0 | 0 | 105.1 | T1532 | M900-T1532 HydrophobicContact CB-CG2 4.19Š|
| 901 | S | 30.6 | Very low | 29.1 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | | | cis | -176.1 | 163 | -11.2 | 42.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 902 | N | 33.7 | Very low | 29.2 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | | | cis | -141.6 | -78 | -2.1 | -137.6 | 62 | 0 | 0 | 0 | 112.4 | | |
| 903 | E | 30.3 | Very low | 28.9 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | | | trans | -145.2 | 141.8 | -160.9 | -71.1 | 159.2 | 135.2 | 0 | 0 | 112.8 | | |
| 904 | D | 27.8 | Very low | 28.8 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | | | | -171.8 | 154.8 | 98.2 | -139.9 | -10.5 | 0 | 0 | 0 | 114.4 | | |
| 905 | I | 30 | Very low | 29 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 70% | 0.697 | 71% | 0.713 | S | S | * | * | | | trans | 40.4 | 94.3 | 161.5 | -61.9 | 148.4 | 0 | 0 | 0 | 120.2 | | |
| 906 | M | 29.6 | Very low | 29 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 78% | 0.778 | 72% | 0.717 | S | S | * | * | | | | 169.2 | 142.6 | 121.2 | -99.5 | -66 | -162.3 | 0 | 0 | 115.2 | | |
| 907 | N | 29.2 | Very low | 28.8 | Very low | 133 Ų | 133 | 122.6 Ų | 122.6 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | | | trans | -6.5 | 137.8 | 152.7 | -74.6 | -26.9 | 0 | 0 | 0 | 119.6 | | |
| 908 | T | 31 | Very low | 28.6 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | | | cis | -156.2 | 151.7 | -1.3 | 30.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 909 | G | 30.4 | Very low | 28.6 | Very low | 76 Ų | 76 | 126.8 Ų | 126.8 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | | | trans | 122.3 | 98.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 910 | R | 31 | Very low | 28.6 | Very low | 247 Ų | 247 | 131 Ų | 131 | 93% | 0.932 | 76% | 0.762 | S | S | * | * | | | trans | -38.4 | 130.1 | 169.9 | -76.2 | 172 | 168.8 | 162 | -6.2 | 112.5 | | |
| 911 | S | 24.6 | Very low | 28.4 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | cis | 65.3 | 128.2 | 38.7 | -161.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 912 | G | 29.8 | Very low | 28.2 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | | | cis | 177.4 | -135.6 | 4.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 913 | T | 27.4 | Very low | 27.9 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | | | trans | -114.1 | -177.6 | -167.5 | 42.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 914 | V | 25.2 | Very low | 27.7 | Very low | 133 Ų | 133 | 123.5 Ų | 123.5 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | | | cis | -146.3 | -171.9 | 22.9 | -140.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 915 | S | 27.5 | Very low | 27.8 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | trans | -69.7 | 157.3 | -176.3 | -44.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 916 | S | 29.5 | Very low | 27.7 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | trans | 76.5 | 155.6 | 143.5 | -64.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 917 | A | 24.1 | Very low | 27.7 | Very low | 96 Ų | 96 | 119 Ų | 119 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | | | trans | 79 | 124.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 918 | V | 25.2 | Very low | 27.6 | Very low | 148 Ų | 148 | 118.3 Ų | 118.3 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | | | trans | -0.4 | 110.8 | 152.2 | -173.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 919 | K | 25.4 | Very low | 27.6 | Very low | 123 Ų | 123 | 117.1 Ų | 117.1 | 54% | 0.535 | 74% | 0.742 | S | S | . | * | | | | -157.6 | 142.3 | 121.7 | -158.9 | 154.7 | -175.7 | 165.9 | 0 | 110.7 | M1435 N1436 | K919-M1435 HydrophobicContact CB-CE 3.72Å; K919-M1435 HydrophobicContact CD-CE 4.29Å; K919-M1435 HydrophobicContact CD-CG 3.98Å; K919-M1435 HydrophobicContact CG-CE 3.78Å; K919-M1435 HydrophobicContact CG-CG 4.17Å; K919-N1436 PolarHBondContact NZ-O 3.25Å |
| 920 | I | 30.4 | Very low | 27.5 | Very low | 149 Ų | 149 | 119 Ų | 119 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | trans | -81.1 | 132.5 | 168.5 | -71 | 170.4 | 0 | 0 | 0 | 107.4 | | |
| 921 | E | 22.7 | Very low | 27.3 | Very low | 56 Ų | 56 | 113.5 Ų | 113.5 | 26% | 0.262 | 73% | 0.732 | S | S | . | * | | | trans | -174.1 | 162.5 | 132 | -111 | 163 | -117.8 | 0 | 0 | 116.8 | L1434 M1435 | E921-L1434 VanDerWaalsContact CD-CA 3.41Å; E921-L1434 WeakPolarHBondContact OE1-CA 3.16Å; E921-L1434 PolarHBondContact OE1-N 3.3Å; E921-L1434 WeakPolarHBondContact OE2-CA 3.03Å; E921-M1435 HydrophobicContact CB-CE 3.99Å; E921-M1435 HydrophobicContact CB-CG 3.88Å; E921-M1435 HydrophobicContact CB-SD 3.86Å; E921-M1435 HydrophobicContact CG-CG 4.38Å; E921-M1435 PolarHBondContact OE1-N 3.38Å; E921-M1435 WeakPolarHBondContact OE2-CB 3.35Å; E921-M1435 PolarHBondContact OE2-N 3.23Å |
| 922 | A | 27.5 | Very low | 27.6 | Very low | 85 Ų | 85 | 112.7 Ų | 112.7 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | | | trans | -120.5 | 136.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 923 | V | 27.9 | Very low | 27.6 | Very low | 124 Ų | 124 | 112.7 Ų | 112.7 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | | | trans | -101.7 | 131.7 | 159.3 | 173.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 924 | S | 25.6 | Very low | 27.6 | Very low | 108 Ų | 108 | 114.4 Ų | 114.4 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | | | trans | -119.2 | 131.4 | -171.7 | 57.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 925 | T | 30.4 | Very low | 27.8 | Very low | 130 Ų | 130 | 113.4 Ų | 113.4 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | | | trans | -126.8 | 116.6 | 156.4 | 52.2 | 0 | 0 | 0 | 0 | 105.9 | | |
| 926 | A | 26.4 | Very low | 27.8 | Very low | 86 Ų | 86 | 114.1 Ų | 114.1 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | | 57.1 | 127.9 | 89.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 927 | T | 30.9 | Very low | 27.9 | Very low | 131 Ų | 131 | 115.4 Ų | 115.4 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | cis | -152.4 | -174.6 | 27.5 | -25.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 928 | T | 26 | Very low | 28.1 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | | | trans | -54.1 | 171.6 | 174.1 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 929 | T | 31 | Very low | 28.3 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | | | cis | -171.3 | 152.2 | 41.4 | -28.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 930 | T | 29.5 | Very low | 28.6 | Very low | 115 Ų | 115 | 120.5 Ų | 120.5 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | trans | 44.8 | 113.5 | 150.4 | 46 | 0 | 0 | 0 | 0 | 124.3 | | |
| 931 | T | 27.2 | Very low | 28.4 | Very low | 133 Ų | 133 | 120.2 Ų | 120.2 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | | | | 70.9 | 134.9 | 111.1 | -45.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 932 | A | 30.6 | Very low | 29 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | | | trans | 76.1 | 136.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 933 | G | 29.9 | Very low | 28.9 | Very low | 68 Ų | 68 | 126.6 Ų | 126.6 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | 165.5 | 144.5 | -14.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 934 | L | 27.5 | Very low | 28.8 | Very low | 169 Ų | 169 | 125.6 Ų | 125.6 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | | | trans | 66.8 | 154.7 | 159.3 | -57.5 | 175.5 | 0 | 0 | 0 | 117.8 | | |
| 935 | T | 29.5 | Very low | 28.9 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | | | cis | -150.2 | 148.8 | 10.4 | -9.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 936 | T | 26.9 | Very low | 28.9 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | | | trans | 45.8 | 126.9 | 147.9 | 54.9 | 0 | 0 | 0 | 0 | 122.8 | | |
| 937 | N | 31.5 | Very low | 29.1 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | | -157 | 149.7 | 102.9 | -117.4 | -37.5 | 0 | 0 | 0 | 114 | | |
| 938 | Y | 28.9 | Very low | 29.2 | Very low | 209 Ų | 209 | 133.6 Ų | 133.6 | 82% | 0.82 | 78% | 0.775 | S | S | * | * | | | trans | 60 | 117.3 | 174.5 | -84.4 | -88.3 | 0 | 0 | 0 | 121.5 | | |
| 939 | I | 28.8 | Very low | 29.6 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | trans | -112.1 | 147.1 | 152.4 | -62.7 | 166.8 | 0 | 0 | 0 | 106.5 | | |
| 940 | P | 30.7 | Very low | 30.1 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | trans | -126.1 | 162.8 | 136.1 | 2.7 | 19.1 | 0 | 0 | 0 | 113.5 | | |
| 941 | N | 27.8 | Very low | 30.8 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | trans | -70 | 159.2 | -173.2 | -84 | -16.9 | 0 | 0 | 0 | 115.1 | D943 | N941-D943 PolarHBondContact O-N 2.8Š|
| 942 | P | 33.8 | Very low | 32.3 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -80.2 | 94.2 | 166.3 | 33.9 | -32.5 | 0 | 0 | 0 | 111 | | |
| 943 | D | 25.5 | Very low | 33.2 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 81% | 0.807 | 73% | 0.727 | S | S | * | * | | | trans | -152 | 155.3 | 160.4 | -109.1 | -42.3 | 0 | 0 | 0 | 110 | N941 | N941-D943 PolarHBondContact O-N 2.8Š|
| 944 | S | 26.2 | Very low | 35.2 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 69.8 | 107 | -178.7 | -50.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 945 | Y | 27.3 | Very low | 36.9 | Very low | 234 Ų | 234 | 129.3 Ų | 129.3 | 92% | 0.918 | 69% | 0.694 | S | S | * | * | | | trans | 33.3 | 90.3 | 141.9 | -61.8 | -83.9 | 0 | 0 | 0 | 120.1 | | |
| 946 | L | 30.5 | Very low | 38.6 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 89% | 0.885 | 69% | 0.692 | S | S | * | * | | | trans | -134.3 | 113.3 | 148.9 | -92.7 | 174.4 | 0 | 0 | 0 | 111.5 | A948 | L946-A948 PolarHBondContact O-N 3.34Š|
| 947 | T | 30.7 | Very low | 40.8 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 87% | 0.871 | 67% | 0.671 | S | S | * | * | | | trans | -71.6 | 90.5 | 168.8 | 47.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 948 | A | 32.8 | Very low | 42.1 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 65% | 0.653 | 67% | 0.673 | S | S | * | * | | | trans | -58.3 | 137.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L946 T950 | L946-A948 PolarHBondContact O-N 3.34Å; A948-T950 PolarHBondContact O-N 2.89Å; A948-T950 VanDerWaalsContact O-N 3.11Å |
| 949 | P | 34.3 | Very low | 43.7 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 67% | 0.665 | S | S | * | * | | | trans | -67.5 | 113.9 | 178.3 | 27.8 | -33.4 | 0 | 0 | 0 | 109.4 | T951 | P949-T951 VanDerWaalsContact C-N 3.34Å; P949-T951 PolarHBondContact O-N 3.33Å |
| 950 | T | 41.7 | Very low | 45.2 | Very low | 74 Ų | 74 | 121.2 Ų | 121.2 | 45% | 0.454 | 66% | 0.655 | S | S | . | * | | | trans | -67.4 | 94.6 | 172.8 | 30.8 | 0 | 0 | 0 | 0 | 109.1 | A948 F952 P966 | A948-T950 PolarHBondContact O-N 2.89Å; A948-T950 VanDerWaalsContact O-N 3.11Å; T950-F952 WeakPolarHBondContact O-CD2 3.31Å; T950-F952 WeakPolarHBondContact O-CE2 3.38Å; T950-F952 PolarHBondContact O-N 3.33Å; T950-P966 HydrophobicContact CG2-CB 4.31Å |
| 951 | T | 45.5 | Very low | 46.7 | Very low | 84 Ų | 84 | 120 Ų | 120 | 52% | 0.515 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 127.6 | 167.2 | 34.7 | 0 | 0 | 0 | 0 | 108.6 | P949 P966 S967 | P949-T951 VanDerWaalsContact C-N 3.34Å; P949-T951 PolarHBondContact O-N 3.33Å; T951-P966 WeakPolarHBondContact O-CA 3.35Å; T951-S967 PolarHBondContact O-N 2.91Å; T951-S967 PolarHBondContact O-OG 2.95Å; T951-S967 VanDerWaalsContact O-OG 3.04Å; T951-S967 PolarHBondContact OG1-OG 3.17Å |
| 952 | F | 57.5 | Low | 48.8 | Very low | 88 Ų | 88 | 114 Ų | 114 | 39% | 0.386 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 116.3 | 175.8 | -74.6 | -91.7 | 0 | 0 | 0 | 108.9 | T950 Y954 A964 L965 P966 | T950-F952 WeakPolarHBondContact O-CD2 3.31Å; T950-F952 WeakPolarHBondContact O-CE2 3.38Å; T950-F952 PolarHBondContact O-N 3.33Å; F952-Y954 HydrophobicContact CB-CD2 4.3Å; F952-Y954 HydrophobicContact CB-CE1 3.95Å; F952-Y954 HydrophobicContact CB-CE2 3.7Å; F952-Y954 WeakPolarHBondContact O-CD2 3.41Å; F952-Y954 WeakPolarHBondContact O-CE2 3.22Å; F952-A964 HydrophobicContact CD1-CB 4.09Å; F952-L965 CarbonylContact C-O 3.59Å; F952-L965 VanDerWaalsContact CA-O 3.32Å; F952-L965 WeakPolarHBondContact CA-O 3.45Å; F952-P966 HydrophobicContact CD1-CB 4.06Å; F952-P966 HydrophobicContact CE1-CB 3.7Å; F952-P966 HydrophobicContact CE1-CG 4.06Å; F952-P966 HydrophobicContact CZ-CB 4.05Å |
| 953 | F | 49.7 | Very low | 50.3 | Low | 144 Ų | 144 | 110.1 Ų | 110.1 | 63% | 0.632 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 126.2 | 166.1 | -76.2 | -83 | 0 | 0 | 0 | 108.7 | A964 L965 | F953-A964 WeakPolarHBondContact O-CA 3.33Å; F953-L965 PolarHBondContact N-O 3.46Å; F953-L965 PolarHBondContact O-N 3.22Å |
| 954 | Y | 71.7 | Confident | 52.5 | Low | 117 Ų | 117 | 104.9 Ų | 104.9 | 46% | 0.459 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.3 | -174.5 | -65 | -73.6 | 0 | 0 | 0 | 110.3 | F952 F963 A964 | F952-Y954 HydrophobicContact CB-CD2 4.3Å; F952-Y954 HydrophobicContact CB-CE1 3.95Å; F952-Y954 HydrophobicContact CB-CE2 3.7Å; F952-Y954 WeakPolarHBondContact O-CD2 3.41Å; F952-Y954 WeakPolarHBondContact O-CE2 3.22Å; Y954-F963 WeakPolarHBondContact CA-O 3.21Å; Y954-F963 WeakPolarHBondContact CD1-O 3.39Å; Y954-A964 HydrophobicContact CD1-CB 3.45Å; Y954-A964 VanDerWaalsContact CD1-CB 3.45Å; Y954-A964 HydrophobicContact CE1-CB 3.37Å |
| 955 | F | 63.4 | Low | 53.7 | Low | 99 Ų | 99 | 104 Ų | 104 | 43% | 0.434 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 146 | -178.6 | 42.5 | -88.9 | 0 | 0 | 0 | 110.3 | F963 L965 | F955-F963 HydrophobicContact CD2-CB 4Å; F955-F963 HydrophobicContact CE2-CB 3.65Å; F955-F963 HydrophobicContact CE2-CG 4.49Å; F955-F963 HydrophobicContact CZ-CB 4.17Å; F955-F963 PolarHBondContact N-O 3.4Å; F955-F963 PolarHBondContact O-N 2.91Å; F955-L965 HydrophobicContact CE1-CB 4.37Å; F955-L965 HydrophobicContact CE1-CD1 4.01Å; F955-L965 HydrophobicContact CE1-CG 4.12Å; F955-L965 HydrophobicContact CZ-CD1 3.76Å; F955-L965 HydrophobicContact CZ-CG 3.91Å |
| 956 | Y | 65.8 | Low | 54.8 | Low | 161 Ų | 161 | 94.8 Ų | 94.8 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 140.4 | 172.9 | -68.2 | -91 | 0 | 0 | 0 | 109.4 | Q961 L962 | Y956-Q961 VanDerWaalsContact CA-O 3.32Å; Y956-Q961 WeakPolarHBondContact CA-O 3.19Å; Y956-L962 HydrophobicContact CD1-CB 3.85Å; Y956-L962 HydrophobicContact CD1-CD1 3.94Å; Y956-L962 HydrophobicContact CD1-CG 4.33Å; Y956-L962 HydrophobicContact CD2-CD1 3.88Å; Y956-L962 HydrophobicContact CE1-CB 3.67Å; Y956-L962 HydrophobicContact CE1-CD1 3.8Å; Y956-L962 HydrophobicContact CE1-CD2 3.76Å; Y956-L962 HydrophobicContact CE1-CG 3.94Å; Y956-L962 HydrophobicContact CE2-CD1 3.73Å; Y956-L962 HydrophobicContact CE2-CD2 4.44Å; Y956-L962 HydrophobicContact CG-CD1 3.99Å; Y956-L962 WeakPolarHBondContact OH-CD2 3.36Å |
| 957 | N | 73.4 | Confident | 55.8 | Low | 52 Ų | 52 | 88.9 Ų | 88.9 | 28% | 0.278 | 48% | 0.484 | S | S | . | . | | | trans | -82.1 | 174.4 | 167.5 | 80.9 | -14.2 | 0 | 0 | 0 | 111.3 | E959 G960 Q961 F963 | N957-E959 PolarHBondContact ND2-OE2 2.99Å; N957-E959 PolarHBondContact O-N 3.2Å; N957-E959 WeakPolarHBondContact OD1-CA 3.27Å; N957-E959 WeakPolarHBondContact OD1-CB 3.33Å; N957-E959 PolarHBondContact OD1-N 3.21Å; N957-G960 PolarHBondContact O-N 3.03Å; N957-G960 PolarHBondContact OD1-N 3.38Å; N957-Q961 PolarHBondContact N-O 2.84Å; N957-Q961 WeakPolarHBondContact OD1-CB 3.45Å; N957-Q961 PolarHBondContact OD1-N 3.49Å; N957-F963 HydrophobicContact CB-CE2 4.24Å |
| 958 | N | 57.9 | Low | 56.8 | Low | 152 Ų | 152 | 88 Ų | 88 | 81% | 0.813 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -1.3 | 177.8 | -68.3 | -31.9 | 0 | 0 | 0 | 114.9 | | |
| 959 | E | 62.5 | Low | 57.4 | Low | 142 Ų | 142 | 86.9 Ų | 86.9 | 66% | 0.664 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 4.4 | 179.4 | -48.4 | 170.1 | 147.9 | 0 | 0 | 111.7 | N957 Q961 | N957-E959 PolarHBondContact ND2-OE2 2.99Å; N957-E959 PolarHBondContact O-N 3.2Å; N957-E959 WeakPolarHBondContact OD1-CA 3.27Å; N957-E959 WeakPolarHBondContact OD1-CB 3.33Å; N957-E959 PolarHBondContact OD1-N 3.21Å; E959-Q961 VanDerWaalsContact C-N 3.34Å; E959-Q961 PolarHBondContact O-N 3.2Å; E959-Q961 PolarHBondContact OE2-NE2 3.31Å |
| 960 | G | 61.1 | Low | 57.6 | Low | 53 Ų | 53 | 87.9 Ų | 87.9 | 55% | 0.546 | 46% | 0.463 | S | S | . | . | S | Bend | trans | 78.9 | 8.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N957 | N957-G960 PolarHBondContact O-N 3.03Å; N957-G960 PolarHBondContact OD1-N 3.38Å |
| 961 | Q | 62.6 | Low | 57.3 | Low | 91 Ų | 91 | 91.3 Ų | 91.3 | 43% | 0.425 | 48% | 0.477 | S | S | . | . | | | trans | -83.2 | 135.4 | 176.8 | -60.6 | -167.5 | 58.1 | 0 | 0 | 111.3 | Y956 N957 E959 F963 | Y956-Q961 VanDerWaalsContact CA-O 3.32Å; Y956-Q961 WeakPolarHBondContact CA-O 3.19Å; N957-Q961 PolarHBondContact N-O 2.84Å; N957-Q961 WeakPolarHBondContact OD1-CB 3.45Å; N957-Q961 PolarHBondContact OD1-N 3.49Å; E959-Q961 VanDerWaalsContact C-N 3.34Å; E959-Q961 PolarHBondContact O-N 3.2Å; E959-Q961 PolarHBondContact OE2-NE2 3.31Å; Q961-F963 HydrophobicContact CB-CE2 3.78Å; Q961-F963 HydrophobicContact CB-CZ 4.11Å |
| 962 | L | 71.1 | Confident | 56.7 | Low | 18 Ų | 18 | 93.7 Ų | 93.7 | 9% | 0.094 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 108.6 | -167.7 | -177.3 | 50.6 | 0 | 0 | 0 | 112.1 | Y956 R1417 | Y956-L962 HydrophobicContact CD1-CB 3.85Å; Y956-L962 HydrophobicContact CD1-CD1 3.94Å; Y956-L962 HydrophobicContact CD1-CG 4.33Å; Y956-L962 HydrophobicContact CD2-CD1 3.88Å; Y956-L962 HydrophobicContact CE1-CB 3.67Å; Y956-L962 HydrophobicContact CE1-CD1 3.8Å; Y956-L962 HydrophobicContact CE1-CD2 3.76Å; Y956-L962 HydrophobicContact CE1-CG 3.94Å; Y956-L962 HydrophobicContact CE2-CD1 3.73Å; Y956-L962 HydrophobicContact CE2-CD2 4.44Å; Y956-L962 HydrophobicContact CG-CD1 3.99Å; Y956-L962 WeakPolarHBondContact OH-CD2 3.36Å; L962-R1417 HydrophobicContact CD2-CB 4.24Å; L962-R1417 HydrophobicContact CD2-CG 4.22Å; L962-R1417 HydrophobicContact CG-CG 4.42Å |
| 963 | F | 65.1 | Low | 55.4 | Low | 42 Ų | 42 | 95.3 Ų | 95.3 | 18% | 0.184 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 164 | -179.3 | -64.4 | -78 | 0 | 0 | 0 | 112.2 | Y954 F955 N957 Q961 S1419 | Y954-F963 WeakPolarHBondContact CA-O 3.21Å; Y954-F963 WeakPolarHBondContact CD1-O 3.39Å; F955-F963 HydrophobicContact CD2-CB 4Å; F955-F963 HydrophobicContact CE2-CB 3.65Å; F955-F963 HydrophobicContact CE2-CG 4.49Å; F955-F963 HydrophobicContact CZ-CB 4.17Å; F955-F963 PolarHBondContact N-O 3.4Å; F955-F963 PolarHBondContact O-N 2.91Å; N957-F963 HydrophobicContact CB-CE2 4.24Å; Q961-F963 HydrophobicContact CB-CE2 3.78Å; Q961-F963 HydrophobicContact CB-CZ 4.11Å; F963-S1419 WeakPolarHBondContact CE1-O 3.06Å |
| 964 | A | 72.4 | Confident | 54.6 | Low | 41 Ų | 41 | 94.2 Ų | 94.2 | 34% | 0.339 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 121.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | F952 F953 Y954 | F952-A964 HydrophobicContact CD1-CB 4.09Å; F953-A964 WeakPolarHBondContact O-CA 3.33Å; Y954-A964 HydrophobicContact CD1-CB 3.45Å; Y954-A964 VanDerWaalsContact CD1-CB 3.45Å; Y954-A964 HydrophobicContact CE1-CB 3.37Å |
| 965 | L | 50.1 | Low | 52.7 | Low | 83 Ų | 83 | 95 Ų | 95 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.2 | 169.9 | -74.9 | 175.6 | 0 | 0 | 0 | 109.6 | F952 F953 F955 A969 | F952-L965 CarbonylContact C-O 3.59Å; F952-L965 VanDerWaalsContact CA-O 3.32Å; F952-L965 WeakPolarHBondContact CA-O 3.45Å; F953-L965 PolarHBondContact N-O 3.46Å; F953-L965 PolarHBondContact O-N 3.22Å; F955-L965 HydrophobicContact CE1-CB 4.37Å; F955-L965 HydrophobicContact CE1-CD1 4.01Å; F955-L965 HydrophobicContact CE1-CG 4.12Å; F955-L965 HydrophobicContact CZ-CD1 3.76Å; F955-L965 HydrophobicContact CZ-CG 3.91Å; L965-A969 HydrophobicContact CD2-CB 4.26Å |
| 966 | P | 51.1 | Low | 51 | Low | 41 Ų | 41 | 97.8 Ų | 97.8 | 27% | 0.266 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 144.5 | 166.8 | 30.5 | -31.8 | 0 | 0 | 0 | 109.4 | T950 T951 F952 N968 A969 | T950-P966 HydrophobicContact CG2-CB 4.31Å; T951-P966 WeakPolarHBondContact O-CA 3.35Å; F952-P966 HydrophobicContact CD1-CB 4.06Å; F952-P966 HydrophobicContact CE1-CB 3.7Å; F952-P966 HydrophobicContact CE1-CG 4.06Å; F952-P966 HydrophobicContact CZ-CB 4.05Å; P966-N968 PolarHBondContact O-N 2.92Å; P966-A969 WeakPolarHBondContact O-CB 3.42Å; P966-A969 PolarHBondContact O-N 3.47Å |
| 967 | S | 52.3 | Low | 49.4 | Very low | 46 Ų | 46 | 93.3 Ų | 93.3 | 32% | 0.322 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -53.9 | -18.9 | -176.3 | -61.7 | 0 | 0 | 0 | 0 | 115.7 | T951 A969 | T951-S967 PolarHBondContact O-N 2.91Å; T951-S967 PolarHBondContact O-OG 2.95Å; T951-S967 VanDerWaalsContact O-OG 3.04Å; T951-S967 PolarHBondContact OG1-OG 3.17Å; S967-A969 VanDerWaalsContact C-N 3.3Å; S967-A969 PolarHBondContact O-N 2.87Å |
| 968 | N | 52 | Low | 47.3 | Very low | 124 Ų | 124 | 102.4 Ų | 102.4 | 66% | 0.663 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -81.6 | -2.8 | -179.5 | -54 | 39.6 | 0 | 0 | 0 | 113.7 | P966 | P966-N968 PolarHBondContact O-N 2.92Š|
| 969 | A | 45.4 | Very low | 45.7 | Very low | 54 Ų | 54 | 103.1 Ų | 103.1 | 45% | 0.446 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -85.1 | -2.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L965 P966 S967 I971 | L965-A969 HydrophobicContact CD2-CB 4.26Å; P966-A969 WeakPolarHBondContact O-CB 3.42Å; P966-A969 PolarHBondContact O-N 3.47Å; S967-A969 VanDerWaalsContact C-N 3.3Å; S967-A969 PolarHBondContact O-N 2.87Å; A969-I971 PolarHBondContact O-N 2.76Å |
| 970 | L | 38.4 | Very low | 44.3 | Very low | 139 Ų | 139 | 100 Ų | 100 | 73% | 0.728 | 59% | 0.588 | S | S | * | * | | | trans | -92.3 | 68.5 | -179.6 | -68.5 | 175.2 | 0 | 0 | 0 | 112 | | |
| 971 | I | 35.3 | Very low | 42.7 | Very low | 146 Ų | 146 | 103.5 Ų | 103.5 | 75% | 0.749 | 60% | 0.6 | S | S | * | * | | | trans | -133.1 | 96.7 | 168 | -54.7 | -179.6 | 0 | 0 | 0 | 108.7 | A969 | A969-I971 PolarHBondContact O-N 2.76Š|
| 972 | F | 32.2 | Very low | 41.1 | Very low | 134 Ų | 134 | 105.2 Ų | 105.2 | 59% | 0.588 | 62% | 0.616 | S | S | * | * | | | trans | -79 | 132.1 | 172.5 | -78.6 | -83.2 | 0 | 0 | 0 | 111.1 | E1424 | F972-E1424 WeakPolarHBondContact CE1-OE1 3.36Å; F972-E1424 WeakPolarHBondContact CZ-OE1 3.37Å |
| 973 | P | 30.4 | Very low | 39.2 | Very low | 123 Ų | 123 | 110.1 Ų | 110.1 | 80% | 0.799 | 65% | 0.647 | S | S | * | * | | | trans | -96.6 | 96.8 | 170.2 | 34.5 | -29.5 | 0 | 0 | 0 | 111.6 | | |
| 974 | T | 31.9 | Very low | 37.5 | Very low | 121 Ų | 121 | 114.3 Ų | 114.3 | 74% | 0.742 | 68% | 0.676 | S | S | * | * | | | trans | -101.2 | 90.7 | 172.6 | 48 | 0 | 0 | 0 | 0 | 112.2 | | |
| 975 | T | 32.8 | Very low | 35.4 | Very low | 133 Ų | 133 | 117.6 Ų | 117.6 | 82% | 0.816 | 70% | 0.696 | S | S | * | * | | | trans | 28.4 | 107.9 | 144.6 | 55.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 976 | V | 28 | Very low | 34.3 | Very low | 157 Ų | 157 | 121.2 Ų | 121.2 | 95% | 0.952 | 72% | 0.716 | S | S | * | * | | | trans | -78.2 | 129.5 | 159.5 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 977 | G | 30.6 | Very low | 33.3 | Very low | 67 Ų | 67 | 128.5 Ų | 128.5 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | | | trans | -150.2 | 3.2 | -160.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 978 | R | 29.3 | Very low | 32.3 | Very low | 244 Ų | 244 | 132.5 Ų | 132.5 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | | | trans | -168.6 | 137.2 | 160.1 | -115.4 | 166.4 | -166.5 | -109.6 | -0.6 | 113.4 | | |
| 979 | L | 26.1 | Very low | 31.1 | Very low | 167 Ų | 167 | 131 Ų | 131 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -74.2 | 142.5 | 157.6 | -92.3 | 68.3 | 0 | 0 | 0 | 109.3 | | |
| 980 | G | 31.7 | Very low | 30.3 | Very low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -164.7 | 89 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | T982 | G980-T982 PolarHBondContact O-N 3.23Š|
| 981 | T | 27.2 | Very low | 29.7 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -75.8 | 121.6 | -171.1 | 48.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 982 | T | 29.3 | Very low | 29.4 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -165.5 | 126.1 | 131 | 25.6 | 0 | 0 | 0 | 0 | 111.6 | G980 | G980-T982 PolarHBondContact O-N 3.23Š|
| 983 | T | 30.8 | Very low | 30 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | 41.6 | 105.7 | 144.7 | 58 | 0 | 0 | 0 | 0 | 121.8 | | |
| 984 | V | 30 | Very low | 29.9 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | 65.9 | 135.8 | 131.3 | -160.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 985 | S | 29.4 | Very low | 29.8 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | 67.1 | 122.3 | 159.7 | 45.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 986 | N | 26.6 | Very low | 29.4 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | | | trans | -62.6 | 147.4 | 167.7 | -47.3 | -38.6 | 0 | 0 | 0 | 112.1 | | |
| 987 | E | 29.7 | Very low | 29.7 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | | -154.8 | 165.4 | 127.4 | -122.4 | 174.1 | -141.4 | 0 | 0 | 111 | | |
| 988 | T | 30.9 | Very low | 30 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | | | trans | -101 | 115 | -160.4 | 48.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 989 | A | 27.1 | Very low | 30.5 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | | | trans | 29.1 | 130.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 990 | Y | 27.5 | Very low | 30.7 | Very low | 222 Ų | 222 | 130.8 Ų | 130.8 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | | | trans | -145.4 | 131.1 | 150.6 | -100.5 | -76.3 | 0 | 0 | 0 | 113.4 | | |
| 991 | S | 27.2 | Very low | 30.7 | Very low | 85 Ų | 85 | 132.1 Ų | 132.1 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | | | trans | 67 | 163.8 | 152.7 | -58.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 992 | S | 28.7 | Very low | 30.8 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 49% | 0.49 | 77% | 0.767 | S | S | . | * | | | trans | -139.3 | 178.2 | -170.3 | -28.1 | 0 | 0 | 0 | 0 | 111.4 | T1430 | S992-T1430 VanDerWaalsContact CB-CG2 3.45Å; S992-T1430 WeakPolarHBondContact CB-OG1 3.17Å; S992-T1430 WeakPolarHBondContact OG-CG2 3.41Å; S992-T1430 PolarHBondContact OG-OG1 3.03Å |
| 993 | P | 44.1 | Very low | 30.8 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | -121.1 | -177.4 | -148.9 | 45.5 | -39.1 | 0 | 0 | 0 | 117.4 | | |
| 994 | S | 28.3 | Very low | 30.8 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -165.3 | 166.1 | 146.6 | 64.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 995 | S | 30.2 | Very low | 30.9 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | cis | -152.9 | 162.2 | 22.4 | -75.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 996 | F | 25.6 | Very low | 30.9 | Very low | 190 Ų | 190 | 130.7 Ų | 130.7 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | | | trans | -18.5 | 148 | 161 | -66.4 | -99.4 | 0 | 0 | 0 | 122 | | |
| 997 | I | 33.5 | Very low | 31.2 | Very low | 154 Ų | 154 | 128 Ų | 128 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | | -144.8 | 133.8 | 125.2 | -62.8 | -170.4 | 0 | 0 | 0 | 111 | | |
| 998 | T | 36.4 | Very low | 31.4 | Very low | 133 Ų | 133 | 124 Ų | 124 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | | | trans | -148.7 | 146.3 | 144.1 | 50.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 999 | P | 39.3 | Very low | 31.5 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | | | trans | -139.5 | 131.8 | 172.4 | 35.3 | -17.1 | 0 | 0 | 0 | 117.2 | | |
| 1000 | Q | 30.6 | Very low | 31.6 | Very low | 185 Ų | 185 | 123.2 Ų | 123.2 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | | | trans | 71.5 | 152.2 | 134 | -66.1 | -154.9 | -20.1 | 0 | 0 | 120.2 | | |
| 1001 | V | 31.6 | Very low | 31.8 | Very low | 104 Ų | 104 | 117.4 Ų | 117.4 | 63% | 0.63 | 72% | 0.716 | S | S | * | * | | | cis | -158.1 | 170.4 | -3.1 | 112.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1002 | N | 29.2 | Very low | 32 | Very low | 161 Ų | 161 | 120.3 Ų | 120.3 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | | | trans | 75.1 | 128.2 | 172.2 | -70.4 | -27.5 | 0 | 0 | 0 | 118 | | |
| 1003 | G | 31.1 | Very low | 32 | Very low | 63 Ų | 63 | 124.8 Ų | 124.8 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | | | cis | 165.3 | 139.4 | -12.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1004 | N | 30 | Very low | 31 | Very low | 167 Ų | 167 | 123.6 Ų | 123.6 | 89% | 0.893 | 74% | 0.738 | S | S | * | * | | | trans | 59.3 | 141.3 | 163.2 | -62.5 | -13.2 | 0 | 0 | 0 | 119 | | |
| 1005 | S | 31 | Very low | 30.9 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | | | cis | -162.6 | 167.7 | -6.3 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1006 | S | 31 | Very low | 30.6 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | | | trans | 57.6 | 102.8 | 149.8 | 55.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1007 | S | 31.3 | Very low | 30.6 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | | 44.6 | 142.5 | 116.7 | 63.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1008 | T | 34.3 | Very low | 30.1 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | | | cis | -162.7 | 139.2 | 27.2 | -19.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1009 | N | 32.9 | Very low | 29.5 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | | | trans | 49.9 | 118.1 | 144.3 | -70.6 | 7 | 0 | 0 | 0 | 124.7 | N1157 | N1009-N1157 PolarHBondContact O-ND2 3.01Š|
| 1010 | C | 30.3 | Very low | 29 | Very low | 85 Ų | 85 | 127.7 Ų | 127.7 | 57% | 0.574 | 75% | 0.747 | S | S | * | * | | | | 62 | 118.5 | 112.3 | -59.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1011 | C | 30.9 | Very low | 28.9 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | | | | 91.6 | 145.9 | 70.9 | -73.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1012 | N | 32 | Very low | 28.6 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | | | cis | -158.1 | 171.4 | -10.9 | -118.2 | -15 | 0 | 0 | 0 | 112.5 | | |
| 1013 | N | 28 | Very low | 28.6 | Very low | 163 Ų | 163 | 122.8 Ų | 122.8 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | | | trans | -78.3 | 170.6 | -174.9 | -67.5 | -30.3 | 0 | 0 | 0 | 116 | | |
| 1014 | S | 23 | Very low | 28.4 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | | | trans | -93.7 | 166.5 | 169.4 | 65.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1015 | S | 26.5 | Very low | 28.4 | Very low | 93 Ų | 93 | 122.1 Ų | 122.1 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | | | trans | 52.5 | 113.4 | 141.5 | 62.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1016 | T | 24.3 | Very low | 28.4 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | | | | 20.1 | 131.3 | 128.6 | 59 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1017 | I | 25.7 | Very low | 28.3 | Very low | 170 Ų | 170 | 125.3 Ų | 125.3 | 87% | 0.872 | 72% | 0.72 | S | S | * | * | | | | -176.8 | 176.3 | 118.6 | -95.9 | 160.7 | 0 | 0 | 0 | 110.8 | | |
| 1018 | R | 23.3 | Very low | 28.3 | Very low | 223 Ų | 223 | 124.9 Ų | 124.9 | 84% | 0.842 | 71% | 0.713 | S | S | * | * | | | trans | -89.3 | 174.7 | -169.1 | -54.9 | 176.7 | 174.5 | -174.5 | -2.9 | 114.6 | | |
| 1019 | T | 24 | Very low | 28.7 | Very low | 136 Ų | 136 | 124 Ų | 124 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | | | trans | 83.7 | 136.1 | 147.3 | 34.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1020 | T | 27.9 | Very low | 28.6 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | | | trans | -66.7 | 167.3 | 171 | 42 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1021 | S | 27.6 | Very low | 28.6 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | | | cis | 177.1 | 164.5 | -4.1 | 46.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1022 | C | 26.8 | Very low | 28.4 | Very low | 110 Ų | 110 | 129 Ų | 129 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | | | cis | -165 | -137.5 | -14 | 55.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1023 | V | 28.1 | Very low | 28.2 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | | | trans | 71.8 | 138.6 | 173.8 | -175.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1024 | S | 28.3 | Very low | 28.4 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | | | cis | -168.9 | -169.3 | -23.6 | 62.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1025 | N | 28.7 | Very low | 28.7 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 61% | 0.61 | 70% | 0.704 | S | S | * | * | | | cis | -162.5 | -171.1 | -3 | -162.8 | 62.7 | 0 | 0 | 0 | 109.8 | | |
| 1026 | Y | 30.8 | Very low | 29.1 | Very low | 178 Ų | 178 | 128 Ų | 128 | 70% | 0.698 | 71% | 0.71 | S | S | * | * | | | trans | 73.2 | 141.8 | 162.8 | -64.6 | -80.6 | 0 | 0 | 0 | 120.6 | | |
| 1027 | E | 29.2 | Very low | 29.3 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 38% | 0.379 | 71% | 0.706 | S | S | . | * | | | cis | -154.6 | -175.4 | -39.7 | -134.2 | -179.5 | 141.5 | 0 | 0 | 112.3 | G1118 | E1027-G1118 CarbonylContact C-O 3.49Š|
| 1028 | V | 31 | Very low | 29.4 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 58% | 0.582 | 70% | 0.701 | S | S | * | * | | | trans | -130.7 | -146.8 | -149.5 | -143.3 | 0 | 0 | 0 | 0 | 115.2 | V1117 G1118 | V1028-V1117 WeakPolarHBondContact O-CG1 3.49Å; V1028-G1118 PolarHBondContact O-N 2.79Å |
| 1029 | P | 43.8 | Very low | 29.5 | Very low | 91 Ų | 91 | 123.1 Ų | 123.1 | 59% | 0.591 | 69% | 0.691 | S | S | * | * | | | trans | -126.7 | 179.3 | -142.7 | 45.6 | -26.6 | 0 | 0 | 0 | 118.7 | V1117 | P1029-V1117 WeakPolarHBondContact O-CG2 3.37Š|
| 1030 | E | 30 | Very low | 29.7 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 68% | 0.678 | 69% | 0.688 | S | S | * | * | | | trans | -83.7 | 128.9 | 165.3 | -87.9 | -145.4 | 113.9 | 0 | 0 | 112.1 | | |
| 1031 | Q | 30 | Very low | 29.6 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 65% | 0.654 | 69% | 0.686 | S | S | * | * | | | | 63.1 | 122.1 | 84.7 | -66.3 | -148.3 | 110.5 | 0 | 0 | 113.2 | | |
| 1032 | L | 26.7 | Very low | 29.4 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 66% | 0.66 | 69% | 0.686 | S | S | * | * | | | cis | -143.6 | 176.3 | -9.5 | -82.6 | 176 | 0 | 0 | 0 | 106.8 | | |
| 1033 | Y | 29.5 | Very low | 29.3 | Very low | 206 Ų | 206 | 127.6 Ų | 127.6 | 81% | 0.808 | 68% | 0.684 | S | S | * | * | | | cis | -152.4 | -165.4 | 9.4 | -129.2 | -25.6 | 0 | 0 | 0 | 106 | | |
| 1034 | S | 32.1 | Very low | 29.2 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | | | cis | -169.4 | 156.8 | -9.9 | 42 | 0 | 0 | 0 | 0 | 105.9 | | |
| 1035 | G | 29 | Very low | 29.1 | Very low | 60 Ų | 60 | 127.9 Ų | 127.9 | 62% | 0.619 | 68% | 0.676 | S | S | * | * | | | cis | 160.7 | 158.2 | -2.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1036 | S | 33.3 | Very low | 29 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 68% | 0.683 | S | S | * | * | | | trans | 63.4 | 135.2 | 171.7 | 47.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1037 | N | 29.3 | Very low | 28.9 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | | | cis | -160.3 | 149.6 | -2.1 | -106.1 | -9.6 | 0 | 0 | 0 | 115.6 | | |
| 1038 | Y | 27.2 | Very low | 28.9 | Very low | 197 Ų | 197 | 128.9 Ų | 128.9 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | | | trans | 46.4 | 100.6 | 147.1 | -65.8 | -63.5 | 0 | 0 | 0 | 125.5 | | |
| 1039 | S | 26.2 | Very low | 29.1 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | | | | 51.3 | 129.7 | 106.5 | 73.6 | 0 | 0 | 0 | 0 | 125.5 | | |
| 1040 | T | 27.7 | Very low | 28.5 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | | | trans | 75.7 | 142.6 | 137.5 | 33.5 | 0 | 0 | 0 | 0 | 124.7 | | |
| 1041 | I | 26.6 | Very low | 28.5 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | | | trans | 98.3 | 121 | 142.6 | -80.6 | 163.3 | 0 | 0 | 0 | 121.2 | | |
| 1042 | L | 24 | Very low | 28.6 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | | | trans | 43.2 | 125.8 | 150.7 | -65.8 | 170.4 | 0 | 0 | 0 | 123.8 | | |
| 1043 | K | 24.6 | Very low | 28.8 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 71% | 0.709 | 72% | 0.72 | S | S | * | * | | | trans | 68.8 | 125.7 | 130.4 | -80.4 | -178.2 | 173.7 | -173.8 | 0 | 121.6 | | |
| 1044 | H | 24.9 | Very low | 28.9 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | | | trans | 63.2 | 146.6 | 150.1 | -62.7 | -63.5 | 0 | 0 | 0 | 117.7 | | |
| 1045 | A | 26.7 | Very low | 28.7 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 56% | 0.562 | 72% | 0.715 | S | S | * | * | | | cis | -164.6 | 163.1 | -21.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1046 | D | 26.3 | Very low | 28.6 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | | | trans | 66.7 | 145.4 | 152.5 | -65.6 | 4.1 | 0 | 0 | 0 | 118.2 | | |
| 1047 | N | 28.8 | Very low | 28.5 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | | | cis | -157.4 | 169.6 | -5.5 | -130.6 | -42.6 | 0 | 0 | 0 | 113.7 | | |
| 1048 | N | 28.4 | Very low | 28.3 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | trans | 81.1 | 141.4 | 151.3 | -71.1 | -35 | 0 | 0 | 0 | 123.2 | | |
| 1049 | Q | 35.7 | Very low | 28.4 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | | | trans | 72.6 | 66.9 | 156.8 | -68.1 | 178.1 | 17.4 | 0 | 0 | 120.4 | | |
| 1050 | C | 32 | Very low | 28.7 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | | | | 169.1 | 123.1 | 103.9 | -89.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1051 | R | 30.7 | Very low | 28.6 | Very low | 207 Ų | 207 | 136.8 Ų | 136.8 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | | | | 61 | 126.9 | 80.9 | -73.6 | -164.6 | 164.7 | -109.3 | 8.8 | 112.9 | | |
| 1052 | D | 31.7 | Very low | 28.6 | Very low | 99 Ų | 99 | 138 Ų | 138 | 53% | 0.529 | 74% | 0.739 | S | S | . | * | | | cis | -160 | 146.2 | 3.9 | -99.1 | -33 | 0 | 0 | 0 | 111.9 | | |
| 1053 | L | 31.2 | Very low | 29.1 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | | | trans | 53 | 146.6 | 133.1 | -51.2 | 173.4 | 0 | 0 | 0 | 120.2 | | |
| 1054 | I | 31.5 | Very low | 29.3 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | | | cis | -157.1 | 172.5 | 2.8 | -132.1 | 164.9 | 0 | 0 | 0 | 112.8 | | |
| 1055 | S | 26.3 | Very low | 29.4 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | trans | -51.7 | 150.5 | 171.1 | 55.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1056 | G | 28 | Very low | 29.5 | Very low | 68 Ų | 68 | 137.7 Ų | 137.7 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | | 134.5 | 164 | 73.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1057 | Y | 31 | Very low | 29.8 | Very low | 216 Ų | 216 | 138.6 Ų | 138.6 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | | | cis | -128.9 | 154.8 | 15.2 | -95.3 | -108.6 | 0 | 0 | 0 | 112 | V1059 | Y1057-V1059 HydrophobicContact CD1-CG2 4.33Š|
| 1058 | S | 24.1 | Very low | 29.7 | Very low | 119 Ų | 119 | 136 Ų | 136 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | -112.5 | 141.4 | 147.1 | -68.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1059 | V | 30.1 | Very low | 29.7 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | -115.8 | 125.2 | 171.9 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | Y1057 | Y1057-V1059 HydrophobicContact CD1-CG2 4.33Š|
| 1060 | P | 32.5 | Very low | 29.4 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | | | trans | -94.4 | 172.4 | -161.1 | 37.4 | -38.3 | 0 | 0 | 0 | 114.4 | | |
| 1061 | I | 26.5 | Very low | 29.1 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | | | trans | -102.5 | 123.4 | 163.9 | -61.3 | 174.3 | 0 | 0 | 0 | 108.5 | | |
| 1062 | Q | 25.4 | Very low | 28.9 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | | | trans | -148.2 | 123.7 | 174.3 | -92.4 | -76.2 | -23.5 | 0 | 0 | 108.5 | | |
| 1063 | P | 35.4 | Very low | 28.6 | Very low | 107 Ų | 107 | 141 Ų | 141 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | | | trans | -128.8 | 118.5 | 174.9 | 35.7 | -20.8 | 0 | 0 | 0 | 114.3 | | |
| 1064 | S | 27.8 | Very low | 28.8 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | trans | -179.9 | 164.6 | 150 | 34.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1065 | F | 28 | Very low | 28.7 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | 66.6 | 106.7 | -177.5 | -53.4 | -76.8 | 0 | 0 | 0 | 114.5 | | |
| 1066 | L | 29.2 | Very low | 28.7 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | cis | 83 | 92.8 | 21.6 | -151.5 | 164.2 | 0 | 0 | 0 | 114.2 | | |
| 1067 | N | 31 | Very low | 28.8 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | 60.6 | 154.8 | 171.1 | -57.4 | -7.8 | 0 | 0 | 0 | 115.9 | | |
| 1068 | G | 27.9 | Very low | 28.5 | Very low | 63 Ų | 63 | 141.3 Ų | 141.3 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | cis | 154.2 | 154.7 | -3.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1069 | F | 27.6 | Very low | 28.8 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | 75.5 | 129.5 | 174.9 | -76 | -111.8 | 0 | 0 | 0 | 119.9 | | |
| 1070 | H | 30.4 | Very low | 28.7 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 68% | 0.676 | 77% | 0.77 | S | S | * | * | | | trans | 50.8 | 104.4 | 145.7 | -72.5 | -107.4 | 0 | 0 | 0 | 123.2 | | |
| 1071 | Q | 25.9 | Very low | 28.7 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | | | | 47.4 | 142.3 | 95.4 | -152.3 | -166.8 | 16.8 | 0 | 0 | 120.7 | | |
| 1072 | W | 26.5 | Very low | 28.9 | Very low | 221 Ų | 221 | 143.5 Ų | 143.5 | 84% | 0.837 | 77% | 0.766 | S | S | * | * | | | trans | 95.6 | 127.3 | 167.6 | -67.5 | 83.2 | 0 | 0 | 0 | 119 | | |
| 1073 | V | 23.5 | Very low | 29.3 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | trans | -161.9 | 149.2 | 176.2 | 173.6 | 0 | 0 | 0 | 0 | 105.7 | | |
| 1074 | P | 36 | Very low | 29.2 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | cis | -119.9 | -178.1 | -13.5 | 37.7 | -22.5 | 0 | 0 | 0 | 113.6 | | |
| 1075 | G | 28.9 | Very low | 29.5 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | -148.2 | 119.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1076 | Q | 26.8 | Very low | 29.7 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | trans | -57.9 | 158.9 | -169.9 | -60.9 | 159 | -38.8 | 0 | 0 | 116.4 | | |
| 1077 | I | 29.4 | Very low | 29.7 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | | | | -160.5 | 152.4 | 117.1 | -97.2 | 151.9 | 0 | 0 | 0 | 109.5 | | |
| 1078 | T | 25.7 | Very low | 29.7 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | trans | -116.1 | 152.1 | -172.5 | 49.5 | 0 | 0 | 0 | 0 | 112 | | |
| 1079 | L | 29.6 | Very low | 29.7 | Very low | 148 Ų | 148 | 145 Ų | 145 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | | 169.4 | 149 | 118.3 | -89 | 156.6 | 0 | 0 | 0 | 115 | | |
| 1080 | D | 28.6 | Very low | 29.7 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | | | trans | 76.5 | 129 | 145.6 | -64.9 | -18 | 0 | 0 | 0 | 127 | | |
| 1081 | N | 31.8 | Very low | 29.7 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 67% | 0.668 | 76% | 0.758 | S | S | * | * | | | trans | 75.4 | 81.5 | 140 | -65.9 | -25.9 | 0 | 0 | 0 | 123.4 | | |
| 1082 | Q | 30.7 | Very low | 29.8 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | | 50 | 152.3 | 102.5 | -61.9 | -169.6 | 15.7 | 0 | 0 | 122.6 | | |
| 1083 | T | 35.2 | Very low | 30.1 | Very low | 143 Ų | 143 | 134 Ų | 134 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | 76.6 | 133.1 | 173.7 | 75.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1084 | G | 32.6 | Very low | 30.4 | Very low | 65 Ų | 65 | 134.6 Ų | 134.6 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | | | cis | -178.5 | 156.3 | -12.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1085 | I | 33.6 | Very low | 30 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | trans | 70.4 | 110.4 | 137.9 | -62.4 | 175.4 | 0 | 0 | 0 | 119.9 | | |
| 1086 | Q | 32 | Very low | 29.8 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | trans | 51.1 | 160.3 | 131 | -60.2 | 176.8 | 24.5 | 0 | 0 | 121.9 | | |
| 1087 | Q | 30.7 | Very low | 29.9 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | cis | -171.6 | 161.9 | -33 | -108.4 | 179.4 | 9 | 0 | 0 | 107.6 | | |
| 1088 | L | 29.9 | Very low | 30.1 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | | | trans | 61 | 116 | 150.8 | -68.8 | 163 | 0 | 0 | 0 | 122.1 | | |
| 1089 | Q | 27.4 | Very low | 30.8 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | | 46.3 | 132.4 | 118.7 | -73.8 | -177.6 | -2.4 | 0 | 0 | 120.1 | | |
| 1090 | N | 28.7 | Very low | 30.9 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | cis | -169 | 173.6 | 34.8 | -96.4 | -30.7 | 0 | 0 | 0 | 112.7 | | |
| 1091 | S | 29.4 | Very low | 31.1 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | trans | 45 | 111 | 151.9 | 56.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1092 | S | 28.1 | Very low | 31.2 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | | 87.1 | 110.1 | 54.2 | 73.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1093 | T | 34.1 | Very low | 31.2 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | | | trans | -171.3 | 143.5 | 142.3 | 17.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1094 | N | 29.3 | Very low | 30.9 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | trans | -8.7 | 165.1 | 147.3 | -60.9 | -32.7 | 0 | 0 | 0 | 122 | | |
| 1095 | S | 27.2 | Very low | 30.9 | Very low | 91 Ų | 91 | 131.7 Ų | 131.7 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | cis | 178.9 | 145.6 | -25.3 | -90.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1096 | L | 25 | Very low | 30.7 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | | | trans | 67.9 | 162.6 | 146.8 | -75.2 | 164.3 | 0 | 0 | 0 | 123.1 | | |
| 1097 | V | 29.2 | Very low | 30.4 | Very low | 126 Ų | 126 | 131 Ų | 131 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | | | trans | 77.3 | 106 | 168.3 | -165 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1098 | M | 33.4 | Very low | 30.7 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | | | | 81.8 | 142 | 52.8 | -65.4 | -81.3 | 164.2 | 0 | 0 | 113.2 | | |
| 1099 | P | 40.5 | Very low | 30.9 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | | | | -157.4 | 143.8 | 81.9 | 41.6 | -20.4 | 0 | 0 | 0 | 120.7 | | |
| 1100 | S | 30.5 | Very low | 30.9 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | | | | 74.5 | 154.2 | 125.8 | 76.3 | 0 | 0 | 0 | 0 | 126.2 | | |
| 1101 | N | 33.1 | Very low | 31.2 | Very low | 129 Ų | 129 | 124 Ų | 124 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | | | trans | 83.4 | 141 | 158.1 | -59.2 | -32.6 | 0 | 0 | 0 | 119.2 | | |
| 1102 | Q | 34.8 | Very low | 31.2 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | cis | -166.3 | 166.3 | -9.3 | -117.1 | 167.4 | 39.9 | 0 | 0 | 111.5 | | |
| 1103 | G | 31.5 | Very low | 31.5 | Very low | 66 Ų | 66 | 128.5 Ų | 128.5 | 68% | 0.68 | 75% | 0.745 | S | S | * | * | | | trans | 69.9 | 118.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1104 | V | 28.9 | Very low | 31.2 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | | | cis | 79.4 | 105.3 | 19.1 | -160.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1105 | L | 31.3 | Very low | 31.5 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | | 165.9 | 126.6 | 121.9 | -85.1 | 177.6 | 0 | 0 | 0 | 115.1 | | |
| 1106 | L | 30.2 | Very low | 31.6 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | | | trans | 39.5 | 115.8 | 140.9 | -56.5 | 176 | 0 | 0 | 0 | 124.3 | | |
| 1107 | H | 25.2 | Very low | 31.8 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | | | | 41.7 | 141.6 | 115.8 | -122.8 | -127 | 0 | 0 | 0 | 122.1 | | |
| 1108 | P | 37.5 | Very low | 31.7 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | | | | -146.9 | 157.7 | 84.4 | 38.9 | -22.8 | 0 | 0 | 0 | 118.6 | | |
| 1109 | S | 33.9 | Very low | 31.5 | Very low | 99 Ų | 99 | 119.3 Ų | 119.3 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | | | trans | 58.6 | 115.3 | 156.9 | -55.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1110 | C | 27.4 | Very low | 31.2 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | | | | 65.5 | 128.6 | 51.5 | -51.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1111 | P | 34.3 | Very low | 31 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | | | | -137.6 | 133.3 | 62.4 | 22 | 2.1 | 0 | 0 | 0 | 116.3 | | |
| 1112 | F | 30.8 | Very low | 31.2 | Very low | 193 Ų | 193 | 122.7 Ų | 122.7 | 85% | 0.846 | 71% | 0.71 | S | S | * | * | | | | 105.3 | 157.1 | 99.7 | -82.3 | -39.7 | 0 | 0 | 0 | 114.3 | | |
| 1113 | P | 33.3 | Very low | 30.7 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 72% | 0.721 | 71% | 0.709 | S | S | * | * | | | | -137.3 | -171.4 | -98.9 | 40.2 | -18.3 | 0 | 0 | 0 | 116.3 | | |
| 1114 | L | 29.1 | Very low | 30.4 | Very low | 160 Ų | 160 | 124 Ų | 124 | 84% | 0.838 | 71% | 0.705 | S | S | * | * | | | trans | -67.4 | 155.9 | 154.3 | -67.9 | 166.1 | 0 | 0 | 0 | 110.2 | | |
| 1115 | P | 34.6 | Very low | 30.7 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 79% | 0.792 | 71% | 0.706 | S | S | * | * | | | | -142.7 | 171.9 | 90.2 | 40.2 | -26.3 | 0 | 0 | 0 | 115.5 | | |
| 1116 | S | 30.3 | Very low | 30.4 | Very low | 90 Ų | 90 | 121.6 Ų | 121.6 | 63% | 0.629 | 70% | 0.697 | S | S | * | * | | | trans | -72.9 | -171.4 | 172.2 | -19.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1117 | V | 28.6 | Very low | 30.6 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 44% | 0.442 | 70% | 0.699 | S | S | . | * | | | trans | 87 | 134.8 | 161.7 | -166.8 | 0 | 0 | 0 | 0 | 114.9 | V1028 P1029 | V1028-V1117 WeakPolarHBondContact O-CG1 3.49Å; P1029-V1117 WeakPolarHBondContact O-CG2 3.37Å |
| 1118 | G | 26.4 | Very low | 30.8 | Very low | 38 Ų | 38 | 124.3 Ų | 124.3 | 39% | 0.392 | 70% | 0.703 | S | S | . | * | | | trans | 153.4 | 83.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | E1027 V1028 | E1027-G1118 CarbonylContact C-O 3.49Å; V1028-G1118 PolarHBondContact O-N 2.79Å |
| 1119 | L | 29.3 | Very low | 30.4 | Very low | 145 Ų | 145 | 123 Ų | 123 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | | | trans | -28.6 | 146.3 | 168.4 | -79 | 159.3 | 0 | 0 | 0 | 118 | | |
| 1120 | I | 35.4 | Very low | 30.2 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 70% | 0.703 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -57.4 | 141.7 | 152.1 | -57 | 169.3 | 0 | 0 | 0 | 109.4 | | |
| 1121 | Q | 26.2 | Very low | 30.2 | Very low | 169 Ų | 169 | 127.4 Ų | 127.4 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | | | trans | 96.1 | 164.8 | 177 | -59.6 | -166.1 | 12.7 | 0 | 0 | 115.7 | | |
| 1122 | P | 36.2 | Very low | 29.8 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | | | cis | -131.2 | 147.4 | -19.3 | 16.7 | 6.5 | 0 | 0 | 0 | 115.8 | | |
| 1123 | L | 24.2 | Very low | 29.8 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | | | | 46.7 | 122.4 | 129.4 | -54.9 | 175.4 | 0 | 0 | 0 | 122 | | |
| 1124 | I | 26.4 | Very low | 29.4 | Very low | 117 Ų | 117 | 130 Ų | 130 | 60% | 0.6 | 70% | 0.702 | S | S | * | * | | | | 65.3 | 94 | 129.8 | -54.4 | 168.8 | 0 | 0 | 0 | 116.5 | N1126 | I1124-N1126 HydrophobicContact CG2-CB 4.21Š|
| 1125 | S | 33.3 | Very low | 29.3 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | | | | -146.5 | 116.8 | 98 | -69.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1126 | N | 26.7 | Very low | 29.2 | Very low | 113 Ų | 113 | 127 Ų | 127 | 60% | 0.604 | 69% | 0.693 | S | S | * | * | | | | 54 | 73.9 | 51.2 | -67.5 | 2.4 | 0 | 0 | 0 | 113.5 | I1124 | I1124-N1126 HydrophobicContact CG2-CB 4.21Š|
| 1127 | I | 33.5 | Very low | 29.2 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | | | | -150.3 | 109.8 | 106.9 | -94.4 | 146.4 | 0 | 0 | 0 | 106.5 | | |
| 1128 | Y | 29.1 | Very low | 29.5 | Very low | 194 Ų | 194 | 129.3 Ų | 129.3 | 76% | 0.761 | 71% | 0.713 | S | S | * | * | | | | 77.9 | 115.3 | 78.6 | -112.2 | -94.8 | 0 | 0 | 0 | 113.5 | | |
| 1129 | S | 29 | Very low | 29.9 | Very low | 88 Ų | 88 | 132.1 Ų | 132.1 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | | | trans | 69.4 | 158.3 | 149.2 | -81.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1130 | N | 30.5 | Very low | 30.2 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | | | cis | -141 | 172.2 | -0.9 | -131.9 | -3.7 | 0 | 0 | 0 | 114.3 | | |
| 1131 | Q | 28.2 | Very low | 30.2 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | | | trans | -41.1 | 150 | 150.5 | -49.8 | 166 | 18 | 0 | 0 | 110.3 | | |
| 1132 | N | 25.6 | Very low | 30.5 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | | | trans | -139.9 | 135.5 | 146.3 | -109 | -18.1 | 0 | 0 | 0 | 111.2 | | |
| 1133 | F | 29.4 | Very low | 30.4 | Very low | 189 Ų | 189 | 130.4 Ų | 130.4 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -59.1 | 136.4 | 145.8 | -98.4 | -94.3 | 0 | 0 | 0 | 107.1 | | |
| 1134 | N | 25.6 | Very low | 30.8 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 73 | 146.7 | 178.3 | -43.5 | -38.1 | 0 | 0 | 0 | 115.9 | | |
| 1135 | S | 27.3 | Very low | 31.1 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | trans | -50 | 175.4 | 151 | 43.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1136 | T | 31.5 | Very low | 31 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | | | trans | 91.3 | 89.9 | 175.5 | 70.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1137 | S | 30.4 | Very low | 31.2 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | | 23.2 | 150.7 | 121.3 | 56.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1138 | S | 35.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | | | trans | 77.1 | 109.1 | 149.2 | 61.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1139 | S | 35.3 | Very low | 31.2 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | | | | 79.9 | 105.5 | 123.3 | -72.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 1140 | D | 34.7 | Very low | 31.3 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | | | | 83.8 | 115.4 | 114 | -49.1 | -30.7 | 0 | 0 | 0 | 123 | | |
| 1141 | D | 36.2 | Very low | 31.3 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | | | trans | 99.1 | 116.5 | 131.1 | -89.8 | -1 | 0 | 0 | 0 | 125.7 | | |
| 1142 | N | 31.7 | Very low | 31.2 | Very low | 140 Ų | 140 | 132 Ų | 132 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | | | trans | 61.6 | 110.6 | 139.3 | -70.7 | -55.5 | 0 | 0 | 0 | 123 | | |
| 1143 | A | 35 | Very low | 31.3 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | | | | 172.2 | 148 | 91.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1144 | N | 31.8 | Very low | 31.1 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | | | trans | 79.5 | 120.5 | 148.6 | -99.6 | -39.1 | 0 | 0 | 0 | 124.4 | | |
| 1145 | R | 33.4 | Very low | 31.2 | Very low | 201 Ų | 201 | 130.1 Ų | 130.1 | 76% | 0.758 | 73% | 0.728 | S | S | * | * | | | trans | 81.3 | 113.2 | 139.8 | -70.5 | 166.1 | -169.1 | -164.1 | -1.6 | 123.3 | | |
| 1146 | N | 31.5 | Very low | 31.2 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | | | | 64.2 | 146 | 128.1 | -58.7 | 7.6 | 0 | 0 | 0 | 120.7 | | |
| 1147 | S | 30.5 | Very low | 31.1 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | | | cis | -170.6 | 149.6 | -16 | -92.1 | 0 | 0 | 0 | 0 | 110 | | |
| 1148 | S | 30.4 | Very low | 30.9 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | | | trans | 61.1 | 149.2 | 157.9 | 47 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1149 | S | 31.7 | Very low | 30.5 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | | | cis | -171.7 | 142.2 | -19.5 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1150 | K | 31.1 | Very low | 30.2 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | | | trans | 60.1 | 131.8 | 134.8 | -74.3 | 179.8 | 179 | 176 | 0 | 123.1 | | |
| 1151 | Q | 29.6 | Very low | 29.8 | Very low | 148 Ų | 148 | 131 Ų | 131 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | | | trans | 71.4 | 159.4 | 132.6 | -67.5 | -179.3 | -27.5 | 0 | 0 | 118.3 | | |
| 1152 | K | 27.2 | Very low | 29.6 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | | | cis | -163.7 | 166.3 | -18.4 | -119.2 | 178.6 | 174.5 | -176.2 | 0 | 109.7 | | |
| 1153 | N | 27.6 | Very low | 29.4 | Very low | 122 Ų | 122 | 134 Ų | 134 | 65% | 0.652 | 73% | 0.729 | S | S | * | * | | | trans | 59.9 | 137.4 | 146.8 | -67.4 | 13.5 | 0 | 0 | 0 | 122 | | |
| 1154 | N | 24.9 | Very low | 29.2 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | | 31.2 | 152.8 | 127.6 | -54.4 | -0.9 | 0 | 0 | 0 | 123.6 | | |
| 1155 | Q | 27.5 | Very low | 29 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | | | trans | 85.5 | 138.7 | 143.9 | -84.8 | 164.1 | -42.7 | 0 | 0 | 121.1 | | |
| 1156 | S | 27.5 | Very low | 29 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | | | trans | 63.3 | 111.5 | 142.4 | 62.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1157 | N | 29.6 | Very low | 28.8 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 52% | 0.519 | 74% | 0.735 | S | S | . | * | | | | 63.5 | 114.9 | 114 | -60 | 1.3 | 0 | 0 | 0 | 121.3 | N1009 | N1009-N1157 PolarHBondContact O-ND2 3.01Š|
| 1158 | I | 26.3 | Very low | 28.8 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 70% | 0.697 | 74% | 0.743 | S | S | * | * | | | | 48.5 | 121.8 | 111.5 | -62.3 | 172.1 | 0 | 0 | 0 | 118.3 | | |
| 1159 | C | 27.3 | Very low | 28.7 | Very low | 109 Ų | 109 | 143 Ų | 143 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | trans | 68.4 | 134.5 | 161.3 | -72.7 | 0 | 0 | 0 | 0 | 117 | | |
| 1160 | S | 29 | Very low | 28.8 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | | -154.9 | 138.5 | 54.6 | 17.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1161 | L | 25.5 | Very low | 28.6 | Very low | 145 Ų | 145 | 144 Ų | 144 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | | 32.2 | 115.5 | 128.6 | -64.5 | 148.3 | 0 | 0 | 0 | 118.2 | | |
| 1162 | M | 32.9 | Very low | 28.7 | Very low | 195 Ų | 195 | 148.7 Ų | 148.7 | 96% | 0.961 | 75% | 0.752 | S | S | * | * | | | | -152.4 | 158.1 | 116.5 | -118.8 | 174.1 | -71.6 | 0 | 0 | 112.9 | | |
| 1163 | N | 27.8 | Very low | 28.7 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | | | trans | -97.4 | 170.7 | -174.4 | -99.8 | -42.7 | 0 | 0 | 0 | 112 | | |
| 1164 | R | 30.9 | Very low | 28.6 | Very low | 228 Ų | 228 | 153.7 Ų | 153.7 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | 74.3 | 104.4 | 161.4 | -73.8 | 173.4 | 174.6 | 174.7 | -3.1 | 118.7 | | |
| 1165 | S | 26.4 | Very low | 29.1 | Very low | 97 Ų | 97 | 153.7 Ų | 153.7 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | | | | 27.1 | 123.3 | 115.8 | 61.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1166 | T | 33.3 | Very low | 29.1 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | | -162.3 | 142 | 112 | 15.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1167 | D | 28.6 | Very low | 29.2 | Very low | 151 Ų | 151 | 152.2 Ų | 152.2 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | | | trans | 28.6 | 149.3 | 152.6 | -58.8 | -58.3 | 0 | 0 | 0 | 125 | | |
| 1168 | Q | 30.4 | Very low | 29.3 | Very low | 177 Ų | 177 | 155.9 Ų | 155.9 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | -62.3 | 149 | 169.5 | -49.4 | 171.5 | 6.8 | 0 | 0 | 111.8 | | |
| 1169 | F | 27 | Very low | 29.9 | Very low | 185 Ų | 185 | 154.1 Ų | 154.1 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | -167.3 | 152.1 | 133.4 | -113 | -68 | 0 | 0 | 0 | 114.4 | L1171 | F1169-L1171 HydrophobicContact CD1-CD1 3.86Å; F1169-L1171 HydrophobicContact CE1-CD1 4.06Å |
| 1170 | K | 34.3 | Very low | 29.9 | Very low | 188 Ų | 188 | 153.6 Ų | 153.6 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | | | trans | 83.3 | 104.6 | 173.7 | -59.9 | 164.8 | -176.3 | 171.5 | 0 | 114.1 | | |
| 1171 | L | 26.4 | Very low | 30.3 | Very low | 105 Ų | 105 | 155.7 Ų | 155.7 | 55% | 0.55 | 77% | 0.774 | S | S | . | * | | | | 61.4 | 105.3 | 51.1 | -63.2 | 89.1 | 0 | 0 | 0 | 115.3 | F1169 R1173 | F1169-L1171 HydrophobicContact CD1-CD1 3.86Å; F1169-L1171 HydrophobicContact CE1-CD1 4.06Å; L1171-R1173 HydrophobicContact CD2-CG 4.14Å |
| 1172 | R | 32.6 | Very low | 30.9 | Very low | 246 Ų | 246 | 157 Ų | 157 | 93% | 0.928 | 78% | 0.781 | S | S | * | * | | | | -133.6 | 125 | 111.5 | -64.4 | -168 | -138.2 | -170.1 | 7.3 | 104.6 | | |
| 1173 | R | 27.1 | Very low | 30.8 | Very low | 196 Ų | 196 | 150.8 Ų | 150.8 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | | | cis | 52.8 | 99.6 | 36.7 | -76.7 | -161.6 | -175.5 | -172.4 | 3 | 112.6 | L1171 | L1171-R1173 HydrophobicContact CD2-CG 4.14Š|
| 1174 | F | 25.6 | Very low | 30.8 | Very low | 186 Ų | 186 | 150.8 Ų | 150.8 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | | | | 71.8 | 97.9 | 74.7 | -85.5 | -73.7 | 0 | 0 | 0 | 113 | | |
| 1175 | T | 34.7 | Very low | 30.7 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | | | trans | -144.9 | 131.3 | 138.3 | 48 | 0 | 0 | 0 | 0 | 105.7 | | |
| 1176 | N | 27.6 | Very low | 31 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 58% | 0.578 | 76% | 0.763 | S | S | * | * | | | cis | 70.5 | 135.1 | 43 | -62.7 | 70.4 | 0 | 0 | 0 | 112.1 | | |
| 1177 | D | 28.9 | Very low | 30.6 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | cis | -158.9 | 154.9 | -9.8 | -89.1 | -34.8 | 0 | 0 | 0 | 108.9 | | |
| 1178 | L | 32.1 | Very low | 30.7 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | | | trans | -159 | 146.6 | 151.5 | -121.7 | 107.9 | 0 | 0 | 0 | 108.7 | | |
| 1179 | P | 38.8 | Very low | 30.5 | Very low | 100 Ų | 100 | 147.9 Ų | 147.9 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | | -139.4 | 176.4 | -116.6 | 38.7 | -19.5 | 0 | 0 | 0 | 117.2 | | |
| 1180 | S | 27.3 | Very low | 30.5 | Very low | 98 Ų | 98 | 144 Ų | 144 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | trans | 55.5 | 115.1 | 150.3 | 63.2 | 0 | 0 | 0 | 0 | 120 | | |
| 1181 | L | 38.5 | Very low | 30.2 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | | -173.7 | 133.8 | 111.9 | -121.4 | 75.8 | 0 | 0 | 0 | 111.3 | | |
| 1182 | L | 37 | Very low | 30.5 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | | | trans | 56.2 | 150.6 | 164.6 | -84.3 | 55.7 | 0 | 0 | 0 | 118 | | |
| 1183 | G | 30.5 | Very low | 30.2 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | | | cis | 176.3 | 114.5 | -5.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1184 | N | 28.8 | Very low | 30.6 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | trans | -67.3 | 141.7 | -165.3 | -89.5 | -16 | 0 | 0 | 0 | 116.1 | K1186 | N1184-K1186 PolarHBondContact O-NZ 3.25Å; N1184-K1186 VanDerWaalsContact O-NZ 3.12Å |
| 1185 | A | 28.7 | Very low | 31 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 66% | 0.661 | 76% | 0.761 | S | S | * | * | | | trans | 55.3 | 171 | 141.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1186 | K | 31.8 | Very low | 30.7 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | | | | -175.2 | 122.5 | 124.1 | -86.8 | 132.5 | -146.3 | 127.9 | 0 | 107 | N1184 | N1184-K1186 PolarHBondContact O-NZ 3.25Å; N1184-K1186 VanDerWaalsContact O-NZ 3.12Å |
| 1187 | S | 25.7 | Very low | 31 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | | 58.8 | 114.8 | 67.3 | -167.2 | 0 | 0 | 0 | 0 | 111.7 | R1189 | S1187-R1189 PolarHBondContact O-N 2.65Š|
| 1188 | T | 30.5 | Very low | 31.3 | Very low | 138 Ų | 138 | 134 Ų | 134 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | | | trans | -83.9 | 112.3 | -173.7 | 35.6 | 0 | 0 | 0 | 0 | 112 | | |
| 1189 | R | 26.8 | Very low | 31.4 | Very low | 210 Ų | 210 | 132.5 Ų | 132.5 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | -160.8 | 144.8 | 141.9 | -111.1 | 162.7 | -164 | -165.9 | 5.8 | 112.6 | S1187 | S1187-R1189 PolarHBondContact O-N 2.65Š|
| 1190 | S | 27 | Very low | 31.2 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -8.4 | 137.5 | 155.3 | 52.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1191 | S | 28.6 | Very low | 31.4 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | | -175.3 | 165.1 | 56.8 | -165.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1192 | M | 31.8 | Very low | 31.2 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | | | trans | 56.3 | 116.4 | 162.2 | -69.4 | 143.6 | 166.5 | 0 | 0 | 117.6 | | |
| 1193 | N | 26.1 | Very low | 30.9 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | | 65.4 | 138.8 | 69.4 | -82.7 | -9.1 | 0 | 0 | 0 | 115.8 | | |
| 1194 | S | 36 | Very low | 31 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | | | trans | 67 | 140.2 | -169.8 | 77.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1195 | G | 32.8 | Very low | 31.2 | Very low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | cis | -156.5 | 128.9 | -18.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1196 | K | 29.6 | Very low | 31.3 | Very low | 193 Ų | 193 | 139 Ų | 139 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | | | | 80.4 | 142.4 | 68.6 | -164.2 | -173.7 | -176.3 | -176.9 | 0 | 111.7 | | |
| 1197 | L | 34.1 | Very low | 31.2 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | trans | 84.5 | 137.6 | 175.6 | -45.4 | 178.1 | 0 | 0 | 0 | 114.8 | | |
| 1198 | I | 35.3 | Very low | 31.4 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | cis | -152.1 | 156.6 | -4.7 | -122.4 | 163.6 | 0 | 0 | 0 | 112.3 | | |
| 1199 | N | 32.7 | Very low | 31.4 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | trans | 66.9 | 149.4 | 171.3 | -80.8 | -15.2 | 0 | 0 | 0 | 119.8 | | |
| 1200 | S | 34.8 | Very low | 31.8 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | cis | 163.7 | 137.7 | -26.6 | -91 | 0 | 0 | 0 | 0 | 105.2 | | |
| 1201 | N | 32.8 | Very low | 32.2 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | cis | -139.1 | 142.9 | 24.7 | -86.9 | -42.4 | 0 | 0 | 0 | 109.5 | | |
| 1202 | N | 32.9 | Very low | 32.3 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | | 54.8 | 127.5 | 87.4 | -65 | -11.8 | 0 | 0 | 0 | 114.2 | | |
| 1203 | N | 32.1 | Very low | 32.2 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | cis | -149.2 | 167.9 | 8.8 | -90.9 | -27.9 | 0 | 0 | 0 | 112.4 | | |
| 1204 | H | 32.3 | Very low | 32.4 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | | | trans | -147.6 | 147.8 | -175.7 | -148.3 | -21.7 | 0 | 0 | 0 | 113.7 | | |
| 1205 | S | 32.2 | Very low | 32.5 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | trans | 81.7 | 156.1 | 170 | 87.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1206 | K | 30.8 | Very low | 32.5 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | | | cis | -162.3 | 152.5 | 34.4 | -137.8 | 171 | -173.3 | 175.2 | 0 | 113.9 | | |
| 1207 | Y | 30.5 | Very low | 33 | Very low | 207 Ų | 207 | 138.6 Ų | 138.6 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | | | trans | 60.5 | 157.7 | 168.3 | -65.4 | -70.1 | 0 | 0 | 0 | 117.8 | | |
| 1208 | S | 29.6 | Very low | 33 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | | | cis | -144.6 | 166.6 | 5 | -162.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1209 | G | 29.9 | Very low | 33 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | | | trans | -104.3 | 177 | -166 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1210 | K | 36.8 | Very low | 33.1 | Very low | 218 Ų | 218 | 139.7 Ų | 139.7 | 95% | 0.948 | 75% | 0.75 | S | S | * | * | | | trans | -171 | 150.2 | 159.4 | -102.4 | 157.6 | -173.5 | 175.6 | 0 | 109.8 | | |
| 1211 | G | 34.7 | Very low | 33.2 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | | | trans | 104.7 | 18 | 147 | 0 | 0 | 0 | 0 | 0 | 122.1 | M1213 | G1211-M1213 PolarHBondContact O-N 3.46Š|
| 1212 | L | 30.3 | Very low | 33 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | | | trans | -77.2 | 83.7 | 169.6 | -81.1 | 176.4 | 0 | 0 | 0 | 112.1 | | |
| 1213 | M | 30.1 | Very low | 33.2 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 89% | 0.892 | 73% | 0.734 | S | S | * | * | | | trans | -154.6 | 57 | 172 | -162.5 | 174.9 | 170.7 | 0 | 0 | 113.5 | G1211 | G1211-M1213 PolarHBondContact O-N 3.46Š|
| 1214 | S | 30.9 | Very low | 33.7 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -145.1 | -2.2 | 173.1 | 60.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1215 | T | 37 | Very low | 33.7 | Very low | 89 Ų | 89 | 132 Ų | 132 | 55% | 0.546 | 72% | 0.717 | S | S | . | * | S | Bend | trans | -119.9 | 28.3 | -169 | 60 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1216 | F | 32.3 | Very low | 33.5 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -124.6 | 16.2 | -177.4 | -80.6 | -70 | 0 | 0 | 0 | 114 | | |
| 1217 | L | 40.5 | Very low | 33.6 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -103.3 | -24.8 | -178.7 | -96.8 | 156.1 | 0 | 0 | 0 | 114.2 | | |
| 1218 | D | 35.4 | Very low | 33.7 | Very low | 123 Ų | 123 | 131 Ų | 131 | 66% | 0.658 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -79.9 | -40.5 | -177.2 | -64.1 | -64.6 | 0 | 0 | 0 | 113.4 | Y1220 S1221 | D1218-Y1220 PolarHBondContact O-N 2.96Å; D1218-S1221 WeakPolarHBondContact O-CB 3.29Å; D1218-S1221 PolarHBondContact O-N 2.69Å; D1218-S1221 PolarHBondContact O-OG 3.47Å |
| 1219 | D | 34.1 | Very low | 33.8 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 62% | 0.615 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -64.4 | -24.7 | -175.1 | -77.8 | -40.3 | 0 | 0 | 0 | 114.3 | S1221 N1222 | D1219-S1221 PolarHBondContact O-N 3.25Å; D1219-N1222 PolarHBondContact O-N 3.13Å |
| 1220 | Y | 35.7 | Very low | 33.8 | Very low | 205 Ų | 205 | 130.2 Ų | 130.2 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -69.6 | -8.5 | 174.3 | -118.5 | -86.9 | 0 | 0 | 0 | 113.6 | D1218 | D1218-Y1220 PolarHBondContact O-N 2.96Š|
| 1221 | S | 35.5 | Very low | 33.5 | Very low | 70 Ų | 70 | 128 Ų | 128 | 49% | 0.49 | 72% | 0.724 | S | S | . | * | G | 310 helix | trans | -80.6 | -23.9 | 178.6 | -58 | 0 | 0 | 0 | 0 | 114.1 | D1218 D1219 | D1218-S1221 WeakPolarHBondContact O-CB 3.29Å; D1218-S1221 PolarHBondContact O-N 2.69Å; D1218-S1221 PolarHBondContact O-OG 3.47Å; D1219-S1221 PolarHBondContact O-N 3.25Å |
| 1222 | N | 29.3 | Very low | 33.8 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 57% | 0.572 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -31.4 | -173.5 | -76.1 | -44.2 | 0 | 0 | 0 | 113.5 | D1219 L1224 N1225 | D1219-N1222 PolarHBondContact O-N 3.13Å; N1222-L1224 PolarHBondContact O-N 3.25Å; N1222-N1225 PolarHBondContact O-N 2.83Å |
| 1223 | T | 37.1 | Very low | 34.5 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -12.9 | -175.2 | -37.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1224 | L | 42.6 | Very low | 35.5 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 59% | 0.586 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 9 | -179.5 | -155 | 109.4 | 0 | 0 | 0 | 114.7 | N1222 K1299 | N1222-L1224 PolarHBondContact O-N 3.25Å; L1224-K1299 VanDerWaalsContact CD2-NZ 3.35Å |
| 1225 | N | 33.3 | Very low | 36.7 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | -7 | 175.3 | -82 | -64 | 0 | 0 | 0 | 114.4 | N1222 | N1222-N1225 PolarHBondContact O-N 2.83Š|
| 1226 | N | 27.7 | Very low | 38 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | | | trans | -126.6 | 56.1 | -171.3 | -80.9 | -31.1 | 0 | 0 | 0 | 113.7 | | |
| 1227 | Q | 31.7 | Very low | 40.2 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -136.5 | 61.5 | 164 | -72.9 | -162.4 | -0.3 | 0 | 0 | 112.9 | | |
| 1228 | T | 34.1 | Very low | 42.2 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 83% | 0.834 | 66% | 0.66 | S | S | * | * | | | trans | -172.2 | 114.7 | 140.1 | -71.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1229 | A | 30.3 | Very low | 44.8 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 90% | 0.901 | 66% | 0.661 | S | S | * | * | | | trans | -76.9 | 131.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1230 | G | 30.8 | Very low | 47.5 | Very low | 59 Ų | 59 | 122.3 Ų | 122.3 | 61% | 0.608 | 64% | 0.64 | S | S | * | * | | | trans | 164.6 | 124.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R1232 | G1230-R1232 PolarHBondContact O-N 3.42Š|
| 1231 | N | 30.2 | Very low | 50.3 | Low | 173 Ų | 173 | 114.4 Ų | 114.4 | 93% | 0.925 | 61% | 0.611 | S | S | * | * | | | trans | -79.4 | 48.3 | -165.5 | -158.6 | 7.7 | 0 | 0 | 0 | 113.9 | Q1233 | N1231-Q1233 PolarHBondContact O-N 3.14Š|
| 1232 | R | 41.2 | Very low | 53.1 | Low | 169 Ų | 169 | 111 Ų | 111 | 64% | 0.638 | 59% | 0.588 | S | S | * | * | | | trans | -74.7 | 113.6 | 170.5 | -72.7 | 176.4 | 168.1 | 161.5 | -3.5 | 107.8 | G1230 K1234 A1509 S1510 | G1230-R1232 PolarHBondContact O-N 3.42Å; R1232-K1234 PolarHBondContact O-N 3.27Å; R1232-A1509 PolarHBondContact NH2-O 2.93Å; R1232-S1510 PolarHBondContact NH2-OG 3.04Å |
| 1233 | Q | 44.3 | Very low | 56.1 | Low | 181 Ų | 181 | 108.5 Ų | 108.5 | 85% | 0.846 | 57% | 0.571 | S | S | * | * | | | trans | -37 | 129.7 | 176.5 | -66.4 | 173.2 | -19.8 | 0 | 0 | 111.3 | N1231 K1235 | N1231-Q1233 PolarHBondContact O-N 3.14Å; Q1233-K1235 VanDerWaalsContact C-N 3.28Å; Q1233-K1235 PolarHBondContact O-N 2.85Å |
| 1234 | K | 51.8 | Low | 58.8 | Low | 205 Ų | 205 | 103.5 Ų | 103.5 | 89% | 0.891 | 54% | 0.54 | S | S | * | . | | | trans | -60.9 | 89.9 | 176.7 | -78.2 | -176.4 | 175.3 | 177.5 | 0 | 109.7 | R1232 H1236 | R1232-K1234 PolarHBondContact O-N 3.27Å; K1234-H1236 PolarHBondContact O-N 2.75Å |
| 1235 | K | 55.5 | Low | 61.1 | Low | 140 Ų | 140 | 102.5 Ų | 102.5 | 61% | 0.609 | 53% | 0.528 | S | S | * | . | | | trans | -47 | 136.6 | 168.1 | -64 | 178.6 | -177.7 | 178.8 | 0 | 107.5 | Q1233 A1237 Y1311 | Q1233-K1235 VanDerWaalsContact C-N 3.28Å; Q1233-K1235 PolarHBondContact O-N 2.85Å; K1235-A1237 VanDerWaalsContact C-N 3.27Å; K1235-A1237 PolarHBondContact O-N 2.76Å; K1235-Y1311 HydrophobicContact CB-CD1 3.65Å; K1235-Y1311 HydrophobicContact CB-CE1 3.7Å; K1235-Y1311 HydrophobicContact CD-CD1 4.31Å; K1235-Y1311 HydrophobicContact CD-CE1 4.12Å |
| 1236 | H | 64.6 | Low | 63.7 | Low | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | | | trans | -65.7 | 84.2 | -173.8 | -60.3 | -71.8 | 0 | 0 | 0 | 111.2 | K1234 S1238 E1312 | K1234-H1236 PolarHBondContact O-N 2.75Å; H1236-S1238 PolarHBondContact O-N 3.05Å; H1236-E1312 PolarHBondContact O-N 3.45Å |
| 1237 | A | 79 | Confident | 66.6 | Low | 52 Ų | 52 | 91.6 Ų | 91.6 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 119.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | K1235 F1309 | K1235-A1237 VanDerWaalsContact C-N 3.27Å; K1235-A1237 PolarHBondContact O-N 2.76Å; A1237-F1309 HydrophobicContact CB-CB 4.22Å |
| 1238 | S | 83.1 | Confident | 69.1 | Low | 3 Ų | 3 | 86.5 Ų | 86.5 | 2% | 0.021 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 141.6 | 175.4 | 63.2 | 0 | 0 | 0 | 0 | 109.7 | H1236 T1240 N1241 F1309 A1310 E1312 | H1236-S1238 PolarHBondContact O-N 3.05Å; S1238-T1240 VanDerWaalsContact C-N 3.31Å; S1238-N1241 WeakPolarHBondContact OG-CB 3.44Å; S1238-N1241 PolarHBondContact OG-N 3.49Å; S1238-N1241 PolarHBondContact OG-O 3.46Å; S1238-N1241 VanDerWaalsContact OG-O 3.08Å; S1238-F1309 WeakPolarHBondContact O-CD1 3.41Å; S1238-A1310 WeakPolarHBondContact CB-O 3.42Å; S1238-A1310 PolarHBondContact N-O 2.81Å; S1238-A1310 PolarHBondContact OG-O 2.9Å; S1238-E1312 WeakPolarHBondContact CA-OE2 3.32Å; S1238-E1312 WeakPolarHBondContact CB-OE2 3.49Å |
| 1239 | K | 88 | Confident | 71.5 | Confident | 158 Ų | 158 | 84.9 Ų | 84.9 | 69% | 0.687 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -14 | -177.9 | -67 | -179.5 | -177.9 | 176.1 | 0 | 112.7 | N1288 | K1239-N1288 HydrophobicContact CB-CB 4.42Å; K1239-N1288 WeakPolarHBondContact O-CA 3.26Å; K1239-N1288 PolarHBondContact O-ND2 3.49Å |
| 1240 | T | 92.3 | Very high | 74.1 | Confident | 28 Ų | 28 | 85.1 Ų | 85.1 | 17% | 0.172 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | -17.9 | -169.8 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | S1238 R1267 D1284 F1285 A1291 | S1238-T1240 VanDerWaalsContact C-N 3.31Å; T1240-R1267 PolarHBondContact OG1-NH2 3.36Å; T1240-D1284 WeakPolarHBondContact CB-OD1 3.27Å; T1240-D1284 PolarHBondContact OG1-OD1 3.03Å; T1240-F1285 VanDerWaalsContact CB-O 3.26Å; T1240-F1285 WeakPolarHBondContact CB-O 3.25Å; T1240-F1285 WeakPolarHBondContact O-CD2 3.45Å; T1240-F1285 PolarHBondContact O-N 3.4Å; T1240-A1291 WeakPolarHBondContact O-CB 3.23Å |
| 1241 | N | 93.6 | Very high | 76.7 | Confident | 38 Ų | 38 | 83.9 Ų | 83.9 | 20% | 0.203 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.2 | -176 | -172.4 | -8.6 | 0 | 0 | 0 | 110.8 | S1238 I1283 D1284 F1309 A1310 | S1238-N1241 WeakPolarHBondContact OG-CB 3.44Å; S1238-N1241 PolarHBondContact OG-N 3.49Å; S1238-N1241 PolarHBondContact OG-O 3.46Å; S1238-N1241 VanDerWaalsContact OG-O 3.08Å; N1241-I1283 CarbonylContact C-O 3.55Å; N1241-I1283 WeakPolarHBondContact CA-O 3.49Å; N1241-I1283 PolarHBondContact OD1-N 3.37Å; N1241-I1283 PolarHBondContact OD1-O 2.81Å; N1241-D1284 HydrophobicContact CB-CB 3.97Å; N1241-F1309 WeakPolarHBondContact O-CA 3.38Å; N1241-A1310 HydrophobicContact CB-CB 4.17Å; N1241-A1310 PolarHBondContact O-N 3.5Å |
| 1242 | L | 94.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.7 | 176.8 | -58.8 | -173.6 | 0 | 0 | 0 | 109.8 | F1282 I1283 F1285 A1291 A1294 L1295 V1307 N1308 F1309 | L1242-F1282 CarbonylContact O-C 3.59Å; L1242-F1282 VanDerWaalsContact O-CA 3.28Å; L1242-F1282 WeakPolarHBondContact O-CA 3.36Å; L1242-I1283 PolarHBondContact N-O 2.79Å; L1242-I1283 PolarHBondContact O-N 2.65Å; L1242-F1285 HydrophobicContact CD1-CD2 4.48Å; L1242-F1285 HydrophobicContact CD1-CE2 3.75Å; L1242-F1285 HydrophobicContact CG-CD2 4.38Å; L1242-F1285 HydrophobicContact CG-CE2 4.02Å; L1242-A1291 HydrophobicContact CD2-CB 4.31Å; L1242-A1291 HydrophobicContact CG-CB 4.5Å; L1242-A1294 HydrophobicContact CD1-CB 3.93Å; L1242-L1295 HydrophobicContact CD1-CB 4.02Å; L1242-L1295 HydrophobicContact CD2-CB 4.03Å; L1242-V1307 HydrophobicContact CB-CG1 4.04Å; L1242-V1307 HydrophobicContact CD1-CG1 4.08Å; L1242-N1308 CarbonylContact C-O 3.56Å; L1242-N1308 WeakPolarHBondContact CA-O 3.47Å; L1242-F1309 HydrophobicContact CD2-CD1 3.71Å; L1242-F1309 HydrophobicContact CD2-CE1 3.74Å; L1242-F1309 HydrophobicContact CD2-CG 4.27Å; L1242-F1309 HydrophobicContact CD2-CZ 4.32Å |
| 1243 | Y | 94 | Very high | 81.8 | Confident | 54 Ų | 54 | 74.8 Ų | 74.8 | 21% | 0.212 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 132.7 | 167.2 | 166 | -109.1 | 0 | 0 | 0 | 109.7 | R1245 Y1280 F1282 Y1306 V1307 N1308 | Y1243-R1245 HydrophobicContact CE1-CB 4.24Å; Y1243-Y1280 AromaticContact CE2-CD1 3.63Å; Y1243-Y1280 HydrophobicContact CE2-CD1 3.63Å; Y1243-Y1280 HydrophobicContact CE2-CE1 4.38Å; Y1243-Y1280 HydrophobicContact CE2-CG 4.17Å; Y1243-Y1280 AromaticContact CZ-CD1 3.69Å; Y1243-Y1280 WeakPolarHBondContact OH-CD1 3.45Å; Y1243-Y1280 WeakPolarHBondContact OH-CE1 3.4Å; Y1243-F1282 HydrophobicContact CD2-CD1 4.37Å; Y1243-F1282 AromaticContact CD2-CE1 3.7Å; Y1243-F1282 HydrophobicContact CD2-CE1 3.7Å; Y1243-F1282 HydrophobicContact CD2-CE2 4.12Å; Y1243-F1282 AromaticContact CD2-CZ 3.56Å; Y1243-F1282 HydrophobicContact CD2-CZ 3.56Å; Y1243-F1282 HydrophobicContact CE2-CZ 4.11Å; Y1243-F1282 HydrophobicContact CG-CE1 4.3Å; Y1243-Y1306 HydrophobicContact CD1-CD1 4.38Å; Y1243-Y1306 AromaticContact CD1-CE1 3.94Å; Y1243-Y1306 HydrophobicContact CD1-CE1 3.94Å; Y1243-Y1306 HydrophobicContact CE1-CD1 4.16Å; Y1243-Y1306 AromaticContact CE1-CE1 3.85Å; Y1243-Y1306 HydrophobicContact CE1-CE1 3.85Å; Y1243-V1307 WeakPolarHBondContact O-CA 3.43Å; Y1243-N1308 PolarHBondContact N-O 3.05Å; Y1243-N1308 PolarHBondContact O-N 3.02Å; Y1243-N1308 VanDerWaalsContact O-N 3.08Å |
| 1244 | I | 92.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.8 | -172.7 | -59.8 | -179 | 0 | 0 | 0 | 108.4 | L1247 L1256 Y1280 G1281 I1283 I1298 I1305 Y1306 V1307 | I1244-L1247 HydrophobicContact CG2-CD1 3.89Å; I1244-L1247 HydrophobicContact CG2-CD2 3.82Å; I1244-L1247 HydrophobicContact CG2-CG 3.86Å; I1244-L1256 HydrophobicContact CD1-CD1 3.73Å; I1244-L1256 HydrophobicContact CG2-CD1 4.4Å; I1244-Y1280 CarbonylContact O-C 3.56Å; I1244-Y1280 VanDerWaalsContact O-CA 3.31Å; I1244-Y1280 WeakPolarHBondContact O-CA 3.46Å; I1244-G1281 PolarHBondContact N-O 2.82Å; I1244-G1281 PolarHBondContact O-N 3.46Å; I1244-I1283 HydrophobicContact CD1-CD1 3.54Å; I1244-I1283 HydrophobicContact CD1-CG1 3.87Å; I1244-I1298 HydrophobicContact CD1-CD1 4.06Å; I1244-I1305 HydrophobicContact CG2-CG2 3.48Å; I1244-I1305 VanDerWaalsContact CG2-CG2 3.48Å; I1244-Y1306 CarbonylContact C-O 3.53Å; I1244-Y1306 WeakPolarHBondContact CA-O 3.41Å; I1244-V1307 HydrophobicContact CG1-CG1 3.96Å; I1244-V1307 HydrophobicContact CG1-CG2 4.03Å; I1244-V1307 HydrophobicContact CG2-CG2 4.33Å |
| 1245 | R | 91.5 | Very high | 85.6 | Confident | 92 Ų | 92 | 67.9 Ų | 67.9 | 35% | 0.347 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 154 | 177.6 | 175 | 175.8 | -161.6 | 159.6 | -2.6 | 109.9 | Y1243 E1278 Y1280 Y1306 | Y1243-R1245 HydrophobicContact CE1-CB 4.24Å; R1245-E1278 IonicContact CZ-OE2 2.65Å; R1245-E1278 IonicContact NE-OE1 3.19Å; R1245-E1278 IonicContact NE-OE2 2.73Å; R1245-E1278 PolarHBondContact NE-OE2 2.8Å; R1245-E1278 IonicContact NH2-OE1 2.62Å; R1245-E1278 IonicContact NH2-OE2 2.81Å; R1245-E1278 PolarHBondContact NH2-OE2 2.81Å; R1245-Y1280 HydrophobicContact CB-CD1 3.94Å; R1245-Y1280 HydrophobicContact CB-CE1 4.01Å; R1245-Y1280 HydrophobicContact CG-CD1 3.99Å; R1245-Y1280 HydrophobicContact CG-CE1 3.58Å; R1245-Y1280 VanDerWaalsContact CZ-OH 3.27Å; R1245-Y1280 PolarHBondContact NH2-OH 3.14Å; R1245-Y1306 HydrophobicContact CB-CD1 4.03Å; R1245-Y1306 PolarHBondContact N-O 2.95Å; R1245-Y1306 PolarHBondContact O-N 3.48Å |
| 1246 | G | 87.5 | Confident | 87.1 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 90.9 | 20.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1247 | L | 88.9 | Confident | 88.2 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 136.2 | 172.9 | -58.9 | 175.8 | 0 | 0 | 0 | 109.5 | I1244 F1251 L1256 L1259 L1271 M1279 I1305 | I1244-L1247 HydrophobicContact CG2-CD1 3.89Å; I1244-L1247 HydrophobicContact CG2-CD2 3.82Å; I1244-L1247 HydrophobicContact CG2-CG 3.86Å; L1247-F1251 HydrophobicContact CB-CB 4.19Å; L1247-F1251 HydrophobicContact CB-CD1 4.24Å; L1247-F1251 HydrophobicContact CB-CG 4.26Å; L1247-F1251 HydrophobicContact CD1-CD1 4.05Å; L1247-F1251 HydrophobicContact CD1-CE1 4.4Å; L1247-F1251 HydrophobicContact CD2-CD1 3.93Å; L1247-F1251 HydrophobicContact CD2-CE1 3.81Å; L1247-F1251 HydrophobicContact CD2-CG 4.41Å; L1247-F1251 HydrophobicContact CD2-CZ 4.2Å; L1247-F1251 HydrophobicContact CG-CD1 4.29Å; L1247-L1256 HydrophobicContact CD1-CD1 3.75Å; L1247-L1256 HydrophobicContact CD1-CD2 4.42Å; L1247-L1259 HydrophobicContact CD2-CD1 3.92Å; L1247-L1271 HydrophobicContact CD1-CD1 3.65Å; L1247-M1279 HydrophobicContact CB-CB 3.92Å; L1247-M1279 PolarHBondContact N-O 3.47Å; L1247-M1279 PolarHBondContact O-N 3.37Å; L1247-M1279 VanDerWaalsContact O-N 3.14Å; L1247-I1305 HydrophobicContact CD2-CD1 3.94Å; L1247-I1305 HydrophobicContact CD2-CG1 4.43Å; L1247-I1305 HydrophobicContact CD2-CG2 4.44Å |
| 1248 | P | 83.8 | Confident | 88.5 | Confident | 67 Ų | 67 | 61.5 Ų | 61.5 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | | | trans | -55.6 | 154.4 | 176 | -27.2 | 34.6 | 0 | 0 | 0 | 113.8 | T1250 F1251 M1279 | P1248-T1250 PolarHBondContact O-N 3.4Å; P1248-F1251 HydrophobicContact CB-CB 4.5Å; P1248-F1251 HydrophobicContact CG-CD2 4.35Å; P1248-F1251 VanDerWaalsContact O-CB 3.26Å; P1248-F1251 WeakPolarHBondContact O-CB 3.18Å; P1248-F1251 PolarHBondContact O-N 3.18Å; P1248-M1279 WeakPolarHBondContact O-CG 3.47Å |
| 1249 | T | 84.5 | Confident | 88.6 | Confident | 102 Ų | 102 | 63.1 Ų | 63.1 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -18.2 | 172.4 | 45.7 | 0 | 0 | 0 | 0 | 114.6 | G1277 | T1249-G1277 WeakPolarHBondContact CG2-O 3.39Š|
| 1250 | T | 85.1 | Confident | 88.4 | Confident | 115 Ų | 115 | 55.8 Ų | 55.8 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -2.9 | 179.8 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | P1248 | P1248-T1250 PolarHBondContact O-N 3.4Š|
| 1251 | F | 85.6 | Confident | 87.9 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | | | trans | -70.8 | 145.5 | -172.7 | -148.4 | -104.8 | 0 | 0 | 0 | 111 | L1247 P1248 E1255 L1256 L1259 L1271 | L1247-F1251 HydrophobicContact CB-CB 4.19Å; L1247-F1251 HydrophobicContact CB-CD1 4.24Å; L1247-F1251 HydrophobicContact CB-CG 4.26Å; L1247-F1251 HydrophobicContact CD1-CD1 4.05Å; L1247-F1251 HydrophobicContact CD1-CE1 4.4Å; L1247-F1251 HydrophobicContact CD2-CD1 3.93Å; L1247-F1251 HydrophobicContact CD2-CE1 3.81Å; L1247-F1251 HydrophobicContact CD2-CG 4.41Å; L1247-F1251 HydrophobicContact CD2-CZ 4.2Å; L1247-F1251 HydrophobicContact CG-CD1 4.29Å; P1248-F1251 HydrophobicContact CB-CB 4.5Å; P1248-F1251 HydrophobicContact CG-CD2 4.35Å; P1248-F1251 VanDerWaalsContact O-CB 3.26Å; P1248-F1251 WeakPolarHBondContact O-CB 3.18Å; P1248-F1251 PolarHBondContact O-N 3.18Å; F1251-E1255 HydrophobicContact CD1-CB 4.06Å; F1251-E1255 HydrophobicContact CD2-CB 4.25Å; F1251-E1255 HydrophobicContact CE1-CB 3.62Å; F1251-E1255 HydrophobicContact CE2-CB 3.83Å; F1251-E1255 HydrophobicContact CG-CB 4.36Å; F1251-E1255 HydrophobicContact CZ-CB 3.5Å; F1251-E1255 VanDerWaalsContact CZ-CB 3.5Å; F1251-L1256 HydrophobicContact CE1-CB 4.13Å; F1251-L1256 HydrophobicContact CE1-CD1 4.36Å; F1251-L1259 HydrophobicContact CE1-CD1 3.77Å; F1251-L1259 HydrophobicContact CE1-CG 4.41Å; F1251-L1259 HydrophobicContact CZ-CD1 3.62Å; F1251-L1259 HydrophobicContact CZ-CD2 4.49Å; F1251-L1259 HydrophobicContact CZ-CG 3.96Å; F1251-L1271 WeakPolarHBondContact O-CD2 3.48Å |
| 1252 | T | 89.7 | Confident | 87.4 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | | | trans | -112.2 | 163.1 | -176.2 | 62.5 | 0 | 0 | 0 | 0 | 112.2 | E1254 E1255 L1256 | T1252-E1254 PolarHBondContact O-N 2.98Å; T1252-E1255 WeakPolarHBondContact CB-OE2 3.32Å; T1252-E1255 PolarHBondContact N-OE2 2.77Å; T1252-E1255 PolarHBondContact O-N 2.91Å; T1252-E1255 VanDerWaalsContact OG1-CD 3.3Å; T1252-E1255 VanDerWaalsContact OG1-CG 3.27Å; T1252-E1255 WeakPolarHBondContact OG1-CG 3.44Å; T1252-E1255 PolarHBondContact OG1-N 3.08Å; T1252-E1255 PolarHBondContact OG1-OE2 3.26Å; T1252-L1256 PolarHBondContact O-N 3.31Å |
| 1253 | E | 88.6 | Confident | 86.9 | Confident | 89 Ų | 89 | 67.6 Ų | 67.6 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.5 | -29.7 | 174.2 | -174.9 | 149.8 | -124.2 | 0 | 0 | 112 | L1256 H1257 V1269 K1270 L1271 | E1253-L1256 WeakPolarHBondContact O-CB 3.17Å; E1253-L1256 PolarHBondContact O-N 2.87Å; E1253-H1257 PolarHBondContact O-CD2 2.83Å; E1253-H1257 VanDerWaalsContact O-CD2 3.31Å; E1253-H1257 PolarHBondContact O-N 3.35Å; E1253-V1269 HydrophobicContact CG-CB 4.08Å; E1253-V1269 HydrophobicContact CG-CG1 3.77Å; E1253-K1270 WeakPolarHBondContact OE1-CA 3.46Å; E1253-K1270 PolarHBondContact OE1-N 3.34Å; E1253-L1271 HydrophobicContact CB-CB 4.46Å; E1253-L1271 PolarHBondContact OE1-N 2.62Å |
| 1254 | E | 88 | Confident | 86.5 | Confident | 160 Ų | 160 | 74.2 Ų | 74.2 | 75% | 0.748 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -70.4 | -39.2 | 174.7 | -62.7 | -176.1 | -169 | 0 | 0 | 112.1 | T1252 L1256 H1257 T1258 | T1252-E1254 PolarHBondContact O-N 2.98Å; E1254-L1256 VanDerWaalsContact C-N 3.3Å; E1254-H1257 WeakPolarHBondContact O-CB 3.34Å; E1254-H1257 PolarHBondContact O-N 3.11Å; E1254-T1258 PolarHBondContact O-N 2.73Å |
| 1255 | E | 87.6 | Confident | 86.4 | Confident | 80 Ų | 80 | 77.1 Ų | 77.1 | 37% | 0.374 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.9 | -30.3 | 171.5 | -68 | 161.6 | 130 | 0 | 0 | 111.9 | F1251 T1252 H1257 T1258 L1259 | F1251-E1255 HydrophobicContact CD1-CB 4.06Å; F1251-E1255 HydrophobicContact CD2-CB 4.25Å; F1251-E1255 HydrophobicContact CE1-CB 3.62Å; F1251-E1255 HydrophobicContact CE2-CB 3.83Å; F1251-E1255 HydrophobicContact CG-CB 4.36Å; F1251-E1255 HydrophobicContact CZ-CB 3.5Å; F1251-E1255 VanDerWaalsContact CZ-CB 3.5Å; T1252-E1255 WeakPolarHBondContact CB-OE2 3.32Å; T1252-E1255 PolarHBondContact N-OE2 2.77Å; T1252-E1255 PolarHBondContact O-N 2.91Å; T1252-E1255 VanDerWaalsContact OG1-CD 3.3Å; T1252-E1255 VanDerWaalsContact OG1-CG 3.27Å; T1252-E1255 WeakPolarHBondContact OG1-CG 3.44Å; T1252-E1255 PolarHBondContact OG1-N 3.08Å; T1252-E1255 PolarHBondContact OG1-OE2 3.26Å; E1255-H1257 VanDerWaalsContact C-N 3.3Å; E1255-H1257 PolarHBondContact O-N 3.22Å; E1255-T1258 WeakPolarHBondContact CA-OG1 3.19Å; E1255-T1258 PolarHBondContact O-N 3.41Å; E1255-T1258 VanDerWaalsContact O-N 3.13Å; E1255-T1258 PolarHBondContact O-OG1 2.97Å; E1255-L1259 PolarHBondContact O-N 2.83Å; E1255-L1259 VanDerWaalsContact O-N 3.16Å |
| 1256 | L | 86.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.2 | -31.5 | 172.4 | -167.3 | 58.2 | 0 | 0 | 0 | 111.8 | I1244 L1247 F1251 T1252 E1253 E1254 L1259 V1269 L1271 G1281 I1283 | I1244-L1256 HydrophobicContact CD1-CD1 3.73Å; I1244-L1256 HydrophobicContact CG2-CD1 4.4Å; L1247-L1256 HydrophobicContact CD1-CD1 3.75Å; L1247-L1256 HydrophobicContact CD1-CD2 4.42Å; F1251-L1256 HydrophobicContact CE1-CB 4.13Å; F1251-L1256 HydrophobicContact CE1-CD1 4.36Å; T1252-L1256 PolarHBondContact O-N 3.31Å; E1253-L1256 WeakPolarHBondContact O-CB 3.17Å; E1253-L1256 PolarHBondContact O-N 2.87Å; E1254-L1256 VanDerWaalsContact C-N 3.3Å; L1256-L1259 HydrophobicContact CD1-CD1 4.04Å; L1256-V1269 HydrophobicContact CB-CG1 3.93Å; L1256-V1269 HydrophobicContact CD2-CG1 3.38Å; L1256-V1269 HydrophobicContact CG-CG1 3.65Å; L1256-L1271 HydrophobicContact CD2-CB 4.38Å; L1256-L1271 HydrophobicContact CD2-CD1 3.82Å; L1256-G1281 VanDerWaalsContact CD2-CA 3.4Å; L1256-I1283 HydrophobicContact CD1-CD1 3.98Å; L1256-I1283 HydrophobicContact CD1-CG1 4.26Å; L1256-I1283 HydrophobicContact CD2-CG1 4.47Å; L1256-I1283 HydrophobicContact CG-CD1 4.01Å; L1256-I1283 HydrophobicContact CG-CG1 3.98Å; L1256-I1283 VanDerWaalsContact O-CD1 3.25Å; L1256-I1283 WeakPolarHBondContact O-CD1 3.5Å |
| 1257 | H | 87 | Confident | 86.5 | Confident | 69 Ų | 69 | 78.3 Ų | 78.3 | 32% | 0.319 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.2 | -26.6 | 168 | -88.8 | -82.9 | 0 | 0 | 0 | 113.9 | E1253 E1254 E1255 I1266 V1269 | E1253-H1257 PolarHBondContact O-CD2 2.83Å; E1253-H1257 VanDerWaalsContact O-CD2 3.31Å; E1253-H1257 PolarHBondContact O-N 3.35Å; E1254-H1257 WeakPolarHBondContact O-CB 3.34Å; E1254-H1257 PolarHBondContact O-N 3.11Å; E1255-H1257 VanDerWaalsContact C-N 3.3Å; E1255-H1257 PolarHBondContact O-N 3.22Å; H1257-I1266 WeakPolarHBondContact ND1-CD1 3.47Å; H1257-V1269 VanDerWaalsContact CD2-CG2 3.5Å; H1257-V1269 WeakPolarHBondContact CD2-CG2 3.44Å; H1257-V1269 VanDerWaalsContact CE1-CG2 3.42Å; H1257-V1269 WeakPolarHBondContact CE1-CG2 3.22Å; H1257-V1269 VanDerWaalsContact NE2-CG2 3.33Å; H1257-V1269 WeakPolarHBondContact NE2-CG2 3.1Å |
| 1258 | T | 87.1 | Confident | 86.4 | Confident | 102 Ų | 102 | 81.2 Ų | 81.2 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -88.8 | -18.5 | -179.9 | 60.9 | 0 | 0 | 0 | 0 | 114.3 | E1254 E1255 A1260 | E1254-T1258 PolarHBondContact O-N 2.73Å; E1255-T1258 WeakPolarHBondContact CA-OG1 3.19Å; E1255-T1258 PolarHBondContact O-N 3.41Å; E1255-T1258 VanDerWaalsContact O-N 3.13Å; E1255-T1258 PolarHBondContact O-OG1 2.97Å; T1258-A1260 PolarHBondContact O-N 3.12Å |
| 1259 | L | 83.4 | Confident | 86.7 | Confident | 36 Ų | 36 | 78.7 Ų | 78.7 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.1 | -28.8 | 169.7 | -74.4 | 177.1 | 0 | 0 | 0 | 112.9 | L1247 F1251 E1255 L1256 I1298 I1305 | L1247-L1259 HydrophobicContact CD2-CD1 3.92Å; F1251-L1259 HydrophobicContact CE1-CD1 3.77Å; F1251-L1259 HydrophobicContact CE1-CG 4.41Å; F1251-L1259 HydrophobicContact CZ-CD1 3.62Å; F1251-L1259 HydrophobicContact CZ-CD2 4.49Å; F1251-L1259 HydrophobicContact CZ-CG 3.96Å; E1255-L1259 PolarHBondContact O-N 2.83Å; E1255-L1259 VanDerWaalsContact O-N 3.16Å; L1256-L1259 HydrophobicContact CD1-CD1 4.04Å; L1259-I1298 HydrophobicContact CB-CD1 4.28Å; L1259-I1298 HydrophobicContact CB-CG1 4.22Å; L1259-I1298 WeakPolarHBondContact O-CG1 3.49Å; L1259-I1305 HydrophobicContact CD1-CD1 3.99Å; L1259-I1305 HydrophobicContact CD2-CD1 4.19Å |
| 1260 | A | 85.2 | Confident | 87.1 | Confident | 4 Ų | 4 | 79.6 Ų | 79.6 | 3% | 0.033 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -81.3 | 131.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1258 D1262 I1266 I1283 F1285 | T1258-A1260 PolarHBondContact O-N 3.12Å; A1260-D1262 PolarHBondContact O-N 2.79Å; A1260-I1266 HydrophobicContact CB-CD1 3.82Å; A1260-I1266 HydrophobicContact CB-CG1 4.36Å; A1260-I1283 HydrophobicContact CB-CD1 4.39Å; A1260-F1285 HydrophobicContact CB-CE1 3.98Å; A1260-F1285 HydrophobicContact CB-CZ 3.73Å |
| 1261 | P | 80.9 | Confident | 87.4 | Confident | 50 Ų | 50 | 75.9 Ų | 75.9 | 33% | 0.325 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -62.2 | -47.8 | -177 | 23.7 | -32.6 | 0 | 0 | 0 | 111.9 | A1294 H1297 | P1261-A1294 HydrophobicContact CG-CB 4.36Å; P1261-H1297 HydrophobicContact CG-CB 4.06Å |
| 1262 | D | 83.4 | Confident | 87.6 | Confident | 81 Ų | 81 | 77.5 Ų | 77.5 | 43% | 0.433 | 38% | 0.376 | S | S | . | . | | | trans | -102.5 | 79.2 | 179.4 | -76.6 | -58.4 | 0 | 0 | 0 | 111.9 | A1260 K1264 L1265 | A1260-D1262 PolarHBondContact O-N 2.79Å; D1262-K1264 PolarHBondContact O-N 2.77Å; D1262-L1265 HydrophobicContact CB-CB 4.04Å; D1262-L1265 HydrophobicContact CB-CD1 3.7Å; D1262-L1265 HydrophobicContact CB-CG 3.84Å; D1262-L1265 PolarHBondContact O-N 3.22Å |
| 1263 | R | 83.9 | Confident | 87.5 | Confident | 183 Ų | 183 | 78 Ų | 78 | 69% | 0.691 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -13.3 | 175.3 | 65 | -179.2 | -179.3 | -90.3 | 3.9 | 115.4 | I1266 | R1263-I1266 HydrophobicContact CB-CD1 4.3Š|
| 1264 | K | 86.2 | Confident | 87.2 | Confident | 193 Ų | 193 | 74.8 Ų | 74.8 | 84% | 0.839 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -22 | 171.2 | -69.4 | -175.4 | 178.6 | -179.8 | 0 | 114.1 | D1262 I1266 | D1262-K1264 PolarHBondContact O-N 2.77Å; K1264-I1266 VanDerWaalsContact C-N 3.33Å |
| 1265 | L | 89.8 | Confident | 86.6 | Confident | 62 Ų | 62 | 72.5 Ų | 72.5 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -94.7 | 10.4 | -178.3 | -61.4 | 179.3 | 0 | 0 | 0 | 112.3 | D1262 F1285 V1286 A1290 | D1262-L1265 HydrophobicContact CB-CB 4.04Å; D1262-L1265 HydrophobicContact CB-CD1 3.7Å; D1262-L1265 HydrophobicContact CB-CG 3.84Å; D1262-L1265 PolarHBondContact O-N 3.22Å; L1265-F1285 HydrophobicContact CB-CD1 4.44Å; L1265-F1285 CarbonylContact O-C 3.58Å; L1265-F1285 VanDerWaalsContact O-CA 3.23Å; L1265-F1285 WeakPolarHBondContact O-CA 3.2Å; L1265-F1285 WeakPolarHBondContact O-CB 3.47Å; L1265-F1285 WeakPolarHBondContact O-CD1 3.34Å; L1265-V1286 PolarHBondContact O-N 2.99Å; L1265-A1290 HydrophobicContact CB-CB 3.95Å; L1265-A1290 HydrophobicContact CD1-CB 3.81Å |
| 1266 | I | 91.8 | Very high | 86 | Confident | 23 Ų | 23 | 76.8 Ų | 76.8 | 12% | 0.118 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127.3 | 174.6 | -59.1 | 171.9 | 0 | 0 | 0 | 109.1 | H1257 A1260 R1263 K1264 V1269 I1283 F1285 | H1257-I1266 WeakPolarHBondContact ND1-CD1 3.47Å; A1260-I1266 HydrophobicContact CB-CD1 3.82Å; A1260-I1266 HydrophobicContact CB-CG1 4.36Å; R1263-I1266 HydrophobicContact CB-CD1 4.3Å; K1264-I1266 VanDerWaalsContact C-N 3.33Å; I1266-V1269 HydrophobicContact CD1-CG2 4.49Å; I1266-V1269 HydrophobicContact CG2-CG2 3.74Å; I1266-I1283 HydrophobicContact CD1-CG2 4.16Å; I1266-I1283 HydrophobicContact CG1-CG2 3.95Å; I1266-I1283 HydrophobicContact CG2-CG2 3.89Å; I1266-F1285 HydrophobicContact CG1-CD1 4.18Å; I1266-F1285 HydrophobicContact CG1-CE1 3.81Å; I1266-F1285 HydrophobicContact CG1-CZ 4.36Å |
| 1267 | R | 88.2 | Confident | 85.4 | Confident | 130 Ų | 130 | 78.2 Ų | 78.2 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -35.4 | 172.6 | 175.3 | 165.5 | 56.1 | -119 | -12.3 | 112.2 | T1240 D1284 F1285 V1286 | T1240-R1267 PolarHBondContact OG1-NH2 3.36Å; R1267-D1284 WeakPolarHBondContact CA-O 3.38Å; R1267-D1284 IonicContact CZ-OD1 2.83Å; R1267-D1284 IonicContact CZ-OD2 3.66Å; R1267-D1284 PolarHBondContact N-O 2.86Å; R1267-D1284 IonicContact NE-OD2 2.67Å; R1267-D1284 PolarHBondContact NE-OD2 3.2Å; R1267-D1284 IonicContact NH2-OD1 4Å; R1267-D1284 PolarHBondContact NH2-OD1 2.96Å; R1267-D1284 IonicContact NH2-OD2 3.11Å; R1267-D1284 PolarHBondContact NH2-OD2 2.75Å; R1267-F1285 VanDerWaalsContact CZ-O 3.25Å; R1267-F1285 PolarHBondContact NH1-O 3.47Å; R1267-F1285 PolarHBondContact NH2-O 2.86Å; R1267-V1286 HydrophobicContact CB-CG2 4.33Å; R1267-V1286 PolarHBondContact NH1-O 3.4Å |
| 1268 | S | 87.6 | Confident | 85.1 | Confident | 65 Ų | 65 | 78.2 Ų | 78.2 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 142.8 | 173.8 | -171.4 | 0 | 0 | 0 | 0 | 110.6 | D1284 | S1268-D1284 PolarHBondContact N-O 3.11Å; S1268-D1284 VanDerWaalsContact N-O 3.11Å; S1268-D1284 PolarHBondContact O-N 2.82Å |
| 1269 | V | 91.4 | Very high | 85.1 | Confident | 13 Ų | 13 | 74.7 Ų | 74.7 | 8% | 0.079 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 160.7 | 156.4 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | E1253 L1256 H1257 I1266 F1282 I1283 | E1253-V1269 HydrophobicContact CG-CB 4.08Å; E1253-V1269 HydrophobicContact CG-CG1 3.77Å; L1256-V1269 HydrophobicContact CB-CG1 3.93Å; L1256-V1269 HydrophobicContact CD2-CG1 3.38Å; L1256-V1269 HydrophobicContact CG-CG1 3.65Å; H1257-V1269 VanDerWaalsContact CD2-CG2 3.5Å; H1257-V1269 WeakPolarHBondContact CD2-CG2 3.44Å; H1257-V1269 VanDerWaalsContact CE1-CG2 3.42Å; H1257-V1269 WeakPolarHBondContact CE1-CG2 3.22Å; H1257-V1269 VanDerWaalsContact NE2-CG2 3.33Å; H1257-V1269 WeakPolarHBondContact NE2-CG2 3.1Å; I1266-V1269 HydrophobicContact CD1-CG2 4.49Å; I1266-V1269 HydrophobicContact CG2-CG2 3.74Å; V1269-F1282 CarbonylContact C-O 3.57Å; V1269-F1282 WeakPolarHBondContact CA-O 3.26Å; V1269-I1283 HydrophobicContact CG1-CG1 4.46Å; V1269-I1283 HydrophobicContact CG2-CG1 4.37Å; V1269-I1283 HydrophobicContact CG2-CG2 4.3Å |
| 1270 | K | 90.9 | Very high | 85.5 | Confident | 122 Ų | 122 | 75.1 Ų | 75.1 | 53% | 0.53 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 118.4 | 162.7 | -175.4 | 176.6 | -177.6 | 179.4 | 0 | 110.1 | E1253 I1272 F1282 | E1253-K1270 WeakPolarHBondContact OE1-CA 3.46Å; E1253-K1270 PolarHBondContact OE1-N 3.34Å; K1270-I1272 HydrophobicContact CD-CD1 4.12Å; K1270-I1272 HydrophobicContact CD-CG1 4.37Å; K1270-I1272 HydrophobicContact CG-CD1 4.35Å; K1270-I1272 HydrophobicContact CG-CG1 4.07Å; K1270-F1282 HydrophobicContact CB-CB 4.33Å; K1270-F1282 PolarHBondContact N-O 2.82Å; K1270-F1282 PolarHBondContact O-N 3.22Å |
| 1271 | L | 91.9 | Very high | 85.9 | Confident | 37 Ų | 37 | 75 Ų | 75 | 19% | 0.194 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 138.5 | 171 | -165.4 | 71.6 | 0 | 0 | 0 | 111.3 | L1247 F1251 E1253 L1256 M1279 | L1247-L1271 HydrophobicContact CD1-CD1 3.65Å; F1251-L1271 WeakPolarHBondContact O-CD2 3.48Å; E1253-L1271 HydrophobicContact CB-CB 4.46Å; E1253-L1271 PolarHBondContact OE1-N 2.62Å; L1256-L1271 HydrophobicContact CD2-CB 4.38Å; L1256-L1271 HydrophobicContact CD2-CD1 3.82Å; L1271-M1279 HydrophobicContact CD1-CB 4.37Å; L1271-M1279 HydrophobicContact CD2-CE 3.46Å; L1271-M1279 VanDerWaalsContact CD2-CE 3.46Å; L1271-M1279 HydrophobicContact CD2-SD 4.23Å; L1271-M1279 HydrophobicContact CG-CE 3.86Å |
| 1272 | I | 89.6 | Confident | 86.5 | Confident | 66 Ų | 66 | 75.2 Ų | 75.2 | 34% | 0.338 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 126.2 | -177.8 | -51.7 | -173 | 0 | 0 | 0 | 109.7 | K1270 Y1280 F1282 | K1270-I1272 HydrophobicContact CD-CD1 4.12Å; K1270-I1272 HydrophobicContact CD-CG1 4.37Å; K1270-I1272 HydrophobicContact CG-CD1 4.35Å; K1270-I1272 HydrophobicContact CG-CG1 4.07Å; I1272-Y1280 PolarHBondContact N-O 2.99Å; I1272-Y1280 PolarHBondContact O-N 2.9Å; I1272-F1282 HydrophobicContact CD1-CD2 4.09Å; I1272-F1282 HydrophobicContact CD1-CE2 3.77Å; I1272-F1282 HydrophobicContact CG1-CD2 4.43Å; I1272-F1282 HydrophobicContact CG1-CE2 4.38Å |
| 1273 | A | 88.3 | Confident | 87 | Confident | 74 Ų | 74 | 71.4 Ų | 71.4 | 61% | 0.612 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 133.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1279 | A1273-M1279 HydrophobicContact CB-CE 4.46Å |
| 1274 | G | 81.8 | Confident | 87.4 | Confident | 20 Ų | 20 | 64 Ų | 64 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | | | trans | -83.4 | 169.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E1276 G1277 E1278 | G1274-E1276 PolarHBondContact O-N 2.73Å; G1274-G1277 PolarHBondContact O-N 3.44Å; G1274-E1278 VanDerWaalsContact CA-O 3.22Å; G1274-E1278 WeakPolarHBondContact CA-O 3.28Å; G1274-E1278 PolarHBondContact N-O 2.71Å |
| 1275 | A | 75.5 | Confident | 87.8 | Confident | 113 Ų | 113 | 54.9 Ų | 54.9 | 93% | 0.934 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -22 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1276 | E | 75.2 | Confident | 87.9 | Confident | 170 Ų | 170 | 55.3 Ų | 55.3 | 79% | 0.794 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | 17.9 | -174.9 | -63.9 | 175.3 | 172.8 | 0 | 0 | 112 | G1274 E1278 | G1274-E1276 PolarHBondContact O-N 2.73Å; E1276-E1278 PolarHBondContact O-N 3.42Å |
| 1277 | G | 73.7 | Confident | 87.9 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 84.3 | -22.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T1249 G1274 M1279 | T1249-G1277 WeakPolarHBondContact CG2-O 3.39Å; G1274-G1277 PolarHBondContact O-N 3.44Å; G1277-M1279 PolarHBondContact O-N 2.9Å |
| 1278 | E | 81.9 | Confident | 88.1 | Confident | 69 Ų | 69 | 54.5 Ų | 54.5 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | | | trans | -49.8 | 131.2 | 169.2 | -66.2 | -167.2 | 159.8 | 0 | 0 | 111.1 | R1245 G1274 E1276 Y1280 | R1245-E1278 IonicContact CZ-OE2 2.65Å; R1245-E1278 IonicContact NE-OE1 3.19Å; R1245-E1278 IonicContact NE-OE2 2.73Å; R1245-E1278 PolarHBondContact NE-OE2 2.8Å; R1245-E1278 IonicContact NH2-OE1 2.62Å; R1245-E1278 IonicContact NH2-OE2 2.81Å; R1245-E1278 PolarHBondContact NH2-OE2 2.81Å; G1274-E1278 VanDerWaalsContact CA-O 3.22Å; G1274-E1278 WeakPolarHBondContact CA-O 3.28Å; G1274-E1278 PolarHBondContact N-O 2.71Å; E1276-E1278 PolarHBondContact O-N 3.42Å; E1278-Y1280 PolarHBondContact OE2-OH 2.97Å |
| 1279 | M | 87.2 | Confident | 88.4 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 143.3 | 175.4 | -61.1 | -168.4 | 88 | 0 | 0 | 111.6 | L1247 P1248 L1271 A1273 G1277 | L1247-M1279 HydrophobicContact CB-CB 3.92Å; L1247-M1279 PolarHBondContact N-O 3.47Å; L1247-M1279 PolarHBondContact O-N 3.37Å; L1247-M1279 VanDerWaalsContact O-N 3.14Å; P1248-M1279 WeakPolarHBondContact O-CG 3.47Å; L1271-M1279 HydrophobicContact CD1-CB 4.37Å; L1271-M1279 HydrophobicContact CD2-CE 3.46Å; L1271-M1279 VanDerWaalsContact CD2-CE 3.46Å; L1271-M1279 HydrophobicContact CD2-SD 4.23Å; L1271-M1279 HydrophobicContact CG-CE 3.86Å; A1273-M1279 HydrophobicContact CB-CE 4.46Å; G1277-M1279 PolarHBondContact O-N 2.9Å |
| 1280 | Y | 92 | Very high | 88.5 | Confident | 46 Ų | 46 | 58 Ų | 58 | 18% | 0.18 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.9 | -179.2 | -61.8 | -69.9 | 0 | 0 | 0 | 110.1 | Y1243 I1244 R1245 I1272 E1278 | Y1243-Y1280 AromaticContact CE2-CD1 3.63Å; Y1243-Y1280 HydrophobicContact CE2-CD1 3.63Å; Y1243-Y1280 HydrophobicContact CE2-CE1 4.38Å; Y1243-Y1280 HydrophobicContact CE2-CG 4.17Å; Y1243-Y1280 AromaticContact CZ-CD1 3.69Å; Y1243-Y1280 WeakPolarHBondContact OH-CD1 3.45Å; Y1243-Y1280 WeakPolarHBondContact OH-CE1 3.4Å; I1244-Y1280 CarbonylContact O-C 3.56Å; I1244-Y1280 VanDerWaalsContact O-CA 3.31Å; I1244-Y1280 WeakPolarHBondContact O-CA 3.46Å; R1245-Y1280 HydrophobicContact CB-CD1 3.94Å; R1245-Y1280 HydrophobicContact CB-CE1 4.01Å; R1245-Y1280 HydrophobicContact CG-CD1 3.99Å; R1245-Y1280 HydrophobicContact CG-CE1 3.58Å; R1245-Y1280 VanDerWaalsContact CZ-OH 3.27Å; R1245-Y1280 PolarHBondContact NH2-OH 3.14Å; I1272-Y1280 PolarHBondContact N-O 2.99Å; I1272-Y1280 PolarHBondContact O-N 2.9Å; E1278-Y1280 PolarHBondContact OE2-OH 2.97Å |
| 1281 | G | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 150.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1244 L1256 | I1244-G1281 PolarHBondContact N-O 2.82Å; I1244-G1281 PolarHBondContact O-N 3.46Å; L1256-G1281 VanDerWaalsContact CD2-CA 3.4Å |
| 1282 | F | 94.1 | Very high | 88.7 | Confident | 56 Ų | 56 | 55.3 Ų | 55.3 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.7 | 162.6 | -65.2 | -95.1 | 0 | 0 | 0 | 108.4 | L1242 Y1243 V1269 K1270 I1272 A1310 | L1242-F1282 CarbonylContact O-C 3.59Å; L1242-F1282 VanDerWaalsContact O-CA 3.28Å; L1242-F1282 WeakPolarHBondContact O-CA 3.36Å; Y1243-F1282 HydrophobicContact CD2-CD1 4.37Å; Y1243-F1282 AromaticContact CD2-CE1 3.7Å; Y1243-F1282 HydrophobicContact CD2-CE1 3.7Å; Y1243-F1282 HydrophobicContact CD2-CE2 4.12Å; Y1243-F1282 AromaticContact CD2-CZ 3.56Å; Y1243-F1282 HydrophobicContact CD2-CZ 3.56Å; Y1243-F1282 HydrophobicContact CE2-CZ 4.11Å; Y1243-F1282 HydrophobicContact CG-CE1 4.3Å; V1269-F1282 CarbonylContact C-O 3.57Å; V1269-F1282 WeakPolarHBondContact CA-O 3.26Å; K1270-F1282 HydrophobicContact CB-CB 4.33Å; K1270-F1282 PolarHBondContact N-O 2.82Å; K1270-F1282 PolarHBondContact O-N 3.22Å; I1272-F1282 HydrophobicContact CD1-CD2 4.09Å; I1272-F1282 HydrophobicContact CD1-CE2 3.77Å; I1272-F1282 HydrophobicContact CG1-CD2 4.43Å; I1272-F1282 HydrophobicContact CG1-CE2 4.38Å; F1282-A1310 HydrophobicContact CD1-CB 4.02Å; F1282-A1310 HydrophobicContact CE1-CB 4.13Å |
| 1283 | I | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 108.9 | 173.7 | -51.4 | 178.4 | 0 | 0 | 0 | 108.3 | N1241 L1242 I1244 L1256 A1260 I1266 V1269 F1285 | N1241-I1283 CarbonylContact C-O 3.55Å; N1241-I1283 WeakPolarHBondContact CA-O 3.49Å; N1241-I1283 PolarHBondContact OD1-N 3.37Å; N1241-I1283 PolarHBondContact OD1-O 2.81Å; L1242-I1283 PolarHBondContact N-O 2.79Å; L1242-I1283 PolarHBondContact O-N 2.65Å; I1244-I1283 HydrophobicContact CD1-CD1 3.54Å; I1244-I1283 HydrophobicContact CD1-CG1 3.87Å; L1256-I1283 HydrophobicContact CD1-CD1 3.98Å; L1256-I1283 HydrophobicContact CD1-CG1 4.26Å; L1256-I1283 HydrophobicContact CD2-CG1 4.47Å; L1256-I1283 HydrophobicContact CG-CD1 4.01Å; L1256-I1283 HydrophobicContact CG-CG1 3.98Å; L1256-I1283 VanDerWaalsContact O-CD1 3.25Å; L1256-I1283 WeakPolarHBondContact O-CD1 3.5Å; A1260-I1283 HydrophobicContact CB-CD1 4.39Å; I1266-I1283 HydrophobicContact CD1-CG2 4.16Å; I1266-I1283 HydrophobicContact CG1-CG2 3.95Å; I1266-I1283 HydrophobicContact CG2-CG2 3.89Å; V1269-I1283 HydrophobicContact CG1-CG1 4.46Å; V1269-I1283 HydrophobicContact CG2-CG1 4.37Å; V1269-I1283 HydrophobicContact CG2-CG2 4.3Å; I1283-F1285 HydrophobicContact CB-CE2 3.84Å; I1283-F1285 HydrophobicContact CB-CZ 4.33Å; I1283-F1285 HydrophobicContact CG2-CD2 3.98Å; I1283-F1285 HydrophobicContact CG2-CE1 4.26Å; I1283-F1285 HydrophobicContact CG2-CE2 3.34Å; I1283-F1285 HydrophobicContact CG2-CZ 3.5Å |
| 1284 | D | 92.5 | Very high | 89 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122.4 | 173.3 | -175.5 | 40.4 | 0 | 0 | 0 | 110.5 | T1240 N1241 R1267 S1268 | T1240-D1284 WeakPolarHBondContact CB-OD1 3.27Å; T1240-D1284 PolarHBondContact OG1-OD1 3.03Å; N1241-D1284 HydrophobicContact CB-CB 3.97Å; R1267-D1284 WeakPolarHBondContact CA-O 3.38Å; R1267-D1284 IonicContact CZ-OD1 2.83Å; R1267-D1284 IonicContact CZ-OD2 3.66Å; R1267-D1284 PolarHBondContact N-O 2.86Å; R1267-D1284 IonicContact NE-OD2 2.67Å; R1267-D1284 PolarHBondContact NE-OD2 3.2Å; R1267-D1284 IonicContact NH2-OD1 4Å; R1267-D1284 PolarHBondContact NH2-OD1 2.96Å; R1267-D1284 IonicContact NH2-OD2 3.11Å; R1267-D1284 PolarHBondContact NH2-OD2 2.75Å; S1268-D1284 PolarHBondContact N-O 3.11Å; S1268-D1284 VanDerWaalsContact N-O 3.11Å; S1268-D1284 PolarHBondContact O-N 2.82Å |
| 1285 | F | 93.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 154.7 | -178.7 | -69.2 | -94.8 | 0 | 0 | 0 | 112.1 | T1240 L1242 A1260 L1265 I1266 R1267 I1283 N1287 A1290 A1291 A1294 | T1240-F1285 VanDerWaalsContact CB-O 3.26Å; T1240-F1285 WeakPolarHBondContact CB-O 3.25Å; T1240-F1285 WeakPolarHBondContact O-CD2 3.45Å; T1240-F1285 PolarHBondContact O-N 3.4Å; L1242-F1285 HydrophobicContact CD1-CD2 4.48Å; L1242-F1285 HydrophobicContact CD1-CE2 3.75Å; L1242-F1285 HydrophobicContact CG-CD2 4.38Å; L1242-F1285 HydrophobicContact CG-CE2 4.02Å; A1260-F1285 HydrophobicContact CB-CE1 3.98Å; A1260-F1285 HydrophobicContact CB-CZ 3.73Å; L1265-F1285 HydrophobicContact CB-CD1 4.44Å; L1265-F1285 CarbonylContact O-C 3.58Å; L1265-F1285 VanDerWaalsContact O-CA 3.23Å; L1265-F1285 WeakPolarHBondContact O-CA 3.2Å; L1265-F1285 WeakPolarHBondContact O-CB 3.47Å; L1265-F1285 WeakPolarHBondContact O-CD1 3.34Å; I1266-F1285 HydrophobicContact CG1-CD1 4.18Å; I1266-F1285 HydrophobicContact CG1-CE1 3.81Å; I1266-F1285 HydrophobicContact CG1-CZ 4.36Å; R1267-F1285 VanDerWaalsContact CZ-O 3.25Å; R1267-F1285 PolarHBondContact NH1-O 3.47Å; R1267-F1285 PolarHBondContact NH2-O 2.86Å; I1283-F1285 HydrophobicContact CB-CE2 3.84Å; I1283-F1285 HydrophobicContact CB-CZ 4.33Å; I1283-F1285 HydrophobicContact CG2-CD2 3.98Å; I1283-F1285 HydrophobicContact CG2-CE1 4.26Å; I1283-F1285 HydrophobicContact CG2-CE2 3.34Å; I1283-F1285 HydrophobicContact CG2-CZ 3.5Å; F1285-N1287 VanDerWaalsContact C-N 3.32Å; F1285-N1287 PolarHBondContact O-N 3.09Å; F1285-A1290 HydrophobicContact CB-CB 4.14Å; F1285-A1290 HydrophobicContact CD1-CB 3.97Å; F1285-A1290 HydrophobicContact CG-CB 4.33Å; F1285-A1291 HydrophobicContact CB-CB 4.15Å; F1285-A1291 HydrophobicContact CD2-CB 3.9Å; F1285-A1291 HydrophobicContact CG-CB 4.24Å; F1285-A1294 HydrophobicContact CE1-CB 3.78Å; F1285-A1294 HydrophobicContact CE2-CB 3.75Å; F1285-A1294 HydrophobicContact CZ-CB 3.23Å |
| 1286 | V | 91.9 | Very high | 90.2 | Very high | 70 Ų | 70 | 51.4 Ų | 51.4 | 42% | 0.424 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -57.9 | -46.8 | 175.9 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | L1265 R1267 | L1265-V1286 PolarHBondContact O-N 2.99Å; R1267-V1286 HydrophobicContact CB-CG2 4.33Å; R1267-V1286 PolarHBondContact NH1-O 3.4Å |
| 1287 | N | 92.3 | Very high | 90.9 | Very high | 86 Ų | 86 | 48.2 Ų | 48.2 | 46% | 0.46 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -117.4 | 150.6 | -174.4 | -67.6 | -7.7 | 0 | 0 | 0 | 113.3 | F1285 E1289 A1290 A1291 | F1285-N1287 VanDerWaalsContact C-N 3.32Å; F1285-N1287 PolarHBondContact O-N 3.09Å; N1287-E1289 VanDerWaalsContact C-N 3.28Å; N1287-E1289 PolarHBondContact O-N 3.16Å; N1287-A1290 HydrophobicContact CB-CB 4.35Å; N1287-A1290 PolarHBondContact O-N 2.78Å; N1287-A1291 PolarHBondContact O-N 2.89Å; N1287-A1291 VanDerWaalsContact O-N 3.16Å |
| 1288 | N | 93.2 | Very high | 91.7 | Very high | 50 Ų | 50 | 47 Ų | 47 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.5 | -34 | 173.5 | 170.3 | -115 | 0 | 0 | 0 | 113 | K1239 A1291 K1292 | K1239-N1288 HydrophobicContact CB-CB 4.42Å; K1239-N1288 WeakPolarHBondContact O-CA 3.26Å; K1239-N1288 PolarHBondContact O-ND2 3.49Å; N1288-A1291 PolarHBondContact O-N 2.87Å; N1288-K1292 WeakPolarHBondContact O-CG 3.46Å; N1288-K1292 PolarHBondContact O-N 2.81Å; N1288-K1292 WeakPolarHBondContact OD1-CE 3.34Å; N1288-K1292 PolarHBondContact OD1-NZ 2.65Å |
| 1289 | E | 93.3 | Very high | 92 | Very high | 146 Ų | 146 | 47.7 Ų | 47.7 | 68% | 0.682 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -69.7 | -39.7 | 179.3 | -67 | 170.7 | 173.8 | 0 | 0 | 111.8 | N1287 A1291 K1292 S1293 | N1287-E1289 VanDerWaalsContact C-N 3.28Å; N1287-E1289 PolarHBondContact O-N 3.16Å; E1289-A1291 VanDerWaalsContact C-N 3.34Å; E1289-A1291 PolarHBondContact O-N 3.34Å; E1289-K1292 WeakPolarHBondContact O-CB 3.43Å; E1289-K1292 PolarHBondContact O-N 2.73Å; E1289-S1293 PolarHBondContact O-N 3.4Å; E1289-S1293 PolarHBondContact O-OG 2.9Å |
| 1290 | A | 93 | Very high | 92 | Very high | 7 Ų | 7 | 51 Ų | 51 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | L1265 F1285 N1287 S1293 A1294 | L1265-A1290 HydrophobicContact CB-CB 3.95Å; L1265-A1290 HydrophobicContact CD1-CB 3.81Å; F1285-A1290 HydrophobicContact CB-CB 4.14Å; F1285-A1290 HydrophobicContact CD1-CB 3.97Å; F1285-A1290 HydrophobicContact CG-CB 4.33Å; N1287-A1290 HydrophobicContact CB-CB 4.35Å; N1287-A1290 PolarHBondContact O-N 2.78Å; A1290-S1293 PolarHBondContact O-OG 2.82Å; A1290-S1293 VanDerWaalsContact O-OG 3.09Å; A1290-A1294 VanDerWaalsContact O-CB 3.23Å; A1290-A1294 WeakPolarHBondContact O-CB 3.5Å; A1290-A1294 PolarHBondContact O-N 2.92Å |
| 1291 | A | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -38.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1240 L1242 F1285 N1287 N1288 E1289 L1295 F1309 | T1240-A1291 WeakPolarHBondContact O-CB 3.23Å; L1242-A1291 HydrophobicContact CD2-CB 4.31Å; L1242-A1291 HydrophobicContact CG-CB 4.5Å; F1285-A1291 HydrophobicContact CB-CB 4.15Å; F1285-A1291 HydrophobicContact CD2-CB 3.9Å; F1285-A1291 HydrophobicContact CG-CB 4.24Å; N1287-A1291 PolarHBondContact O-N 2.89Å; N1287-A1291 VanDerWaalsContact O-N 3.16Å; N1288-A1291 PolarHBondContact O-N 2.87Å; E1289-A1291 VanDerWaalsContact C-N 3.34Å; E1289-A1291 PolarHBondContact O-N 3.34Å; A1291-L1295 WeakPolarHBondContact O-CB 3.4Å; A1291-L1295 PolarHBondContact O-N 2.79Å; A1291-F1309 HydrophobicContact CB-CE1 3.85Å |
| 1292 | K | 93.9 | Very high | 90.9 | Very high | 102 Ų | 102 | 55 Ų | 55 | 44% | 0.443 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 174 | -75.4 | 164.7 | 169 | 162.2 | 0 | 112.2 | N1288 E1289 L1295 L1296 F1309 | N1288-K1292 WeakPolarHBondContact O-CG 3.46Å; N1288-K1292 PolarHBondContact O-N 2.81Å; N1288-K1292 WeakPolarHBondContact OD1-CE 3.34Å; N1288-K1292 PolarHBondContact OD1-NZ 2.65Å; E1289-K1292 WeakPolarHBondContact O-CB 3.43Å; E1289-K1292 PolarHBondContact O-N 2.73Å; K1292-L1295 PolarHBondContact O-N 2.89Å; K1292-L1296 WeakPolarHBondContact O-CG 3.13Å; K1292-L1296 PolarHBondContact O-N 2.74Å; K1292-F1309 HydrophobicContact CG-CZ 4.01Å |
| 1293 | S | 91.8 | Very high | 90 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 179.5 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | E1289 A1290 L1296 H1297 | E1289-S1293 PolarHBondContact O-N 3.4Å; E1289-S1293 PolarHBondContact O-OG 2.9Å; A1290-S1293 PolarHBondContact O-OG 2.82Å; A1290-S1293 VanDerWaalsContact O-OG 3.09Å; S1293-L1296 PolarHBondContact O-N 2.74Å; S1293-H1297 VanDerWaalsContact O-CB 3.26Å; S1293-H1297 WeakPolarHBondContact O-CB 3.17Å; S1293-H1297 PolarHBondContact O-N 3.22Å |
| 1294 | A | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | L1242 P1261 F1285 A1290 L1296 H1297 I1298 | L1242-A1294 HydrophobicContact CD1-CB 3.93Å; P1261-A1294 HydrophobicContact CG-CB 4.36Å; F1285-A1294 HydrophobicContact CE1-CB 3.78Å; F1285-A1294 HydrophobicContact CE2-CB 3.75Å; F1285-A1294 HydrophobicContact CZ-CB 3.23Å; A1290-A1294 VanDerWaalsContact O-CB 3.23Å; A1290-A1294 WeakPolarHBondContact O-CB 3.5Å; A1290-A1294 PolarHBondContact O-N 2.92Å; A1294-L1296 VanDerWaalsContact C-N 3.35Å; A1294-L1296 PolarHBondContact O-N 2.66Å; A1294-H1297 PolarHBondContact O-N 3.07Å; A1294-I1298 VanDerWaalsContact O-CG1 3.3Å; A1294-I1298 WeakPolarHBondContact O-CG1 3.26Å; A1294-I1298 PolarHBondContact O-N 2.95Å |
| 1295 | L | 92.5 | Very high | 89.4 | Confident | 23 Ų | 23 | 71 Ų | 71 | 12% | 0.12 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.7 | -47.8 | 174.6 | 171.5 | 64.3 | 0 | 0 | 0 | 111.4 | L1242 A1291 K1292 K1299 V1307 F1309 | L1242-L1295 HydrophobicContact CD1-CB 4.02Å; L1242-L1295 HydrophobicContact CD2-CB 4.03Å; A1291-L1295 WeakPolarHBondContact O-CB 3.4Å; A1291-L1295 PolarHBondContact O-N 2.79Å; K1292-L1295 PolarHBondContact O-N 2.89Å; L1295-K1299 WeakPolarHBondContact O-CB 3.4Å; L1295-K1299 PolarHBondContact O-N 3.02Å; L1295-V1307 HydrophobicContact CD1-CB 3.91Å; L1295-V1307 HydrophobicContact CD1-CG1 3.62Å; L1295-V1307 WeakPolarHBondContact CD1-O 3.44Å; L1295-F1309 HydrophobicContact CD2-CD2 3.97Å; L1295-F1309 HydrophobicContact CD2-CE2 3.45Å; L1295-F1309 VanDerWaalsContact CD2-CE2 3.45Å; L1295-F1309 HydrophobicContact CD2-CZ 4.02Å |
| 1296 | L | 91 | Very high | 89.2 | Confident | 116 Ų | 116 | 76.7 Ų | 76.7 | 61% | 0.607 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67.2 | -41.2 | 177.6 | -68.4 | 173.4 | 0 | 0 | 0 | 111.9 | K1292 S1293 A1294 S1300 | K1292-L1296 WeakPolarHBondContact O-CG 3.13Å; K1292-L1296 PolarHBondContact O-N 2.74Å; S1293-L1296 PolarHBondContact O-N 2.74Å; A1294-L1296 VanDerWaalsContact C-N 3.35Å; A1294-L1296 PolarHBondContact O-N 2.66Å; L1296-S1300 VanDerWaalsContact O-CB 3.26Å; L1296-S1300 WeakPolarHBondContact O-CB 3.38Å; L1296-S1300 PolarHBondContact O-N 3.07Å; L1296-S1300 PolarHBondContact O-OG 2.85Å |
| 1297 | H | 89.6 | Confident | 89.3 | Confident | 104 Ų | 104 | 73.4 Ų | 73.4 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -54.5 | 180 | -172.7 | 80.2 | 0 | 0 | 0 | 112.1 | P1261 S1293 A1294 K1299 S1300 G1301 | P1261-H1297 HydrophobicContact CG-CB 4.06Å; S1293-H1297 VanDerWaalsContact O-CB 3.26Å; S1293-H1297 WeakPolarHBondContact O-CB 3.17Å; S1293-H1297 PolarHBondContact O-N 3.22Å; A1294-H1297 PolarHBondContact O-N 3.07Å; H1297-K1299 PolarHBondContact O-N 3.11Å; H1297-S1300 PolarHBondContact O-N 2.86Å; H1297-G1301 PolarHBondContact O-N 3.1Å |
| 1298 | I | 89.6 | Confident | 89.3 | Confident | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | -177.5 | -58.7 | 162.7 | 0 | 0 | 0 | 110.2 | I1244 L1259 A1294 S1300 G1301 N1302 I1305 V1307 | I1244-I1298 HydrophobicContact CD1-CD1 4.06Å; L1259-I1298 HydrophobicContact CB-CD1 4.28Å; L1259-I1298 HydrophobicContact CB-CG1 4.22Å; L1259-I1298 WeakPolarHBondContact O-CG1 3.49Å; A1294-I1298 VanDerWaalsContact O-CG1 3.3Å; A1294-I1298 WeakPolarHBondContact O-CG1 3.26Å; A1294-I1298 PolarHBondContact O-N 2.95Å; I1298-S1300 VanDerWaalsContact C-N 3.26Å; I1298-S1300 PolarHBondContact O-N 3.38Å; I1298-G1301 PolarHBondContact O-N 2.84Å; I1298-N1302 PolarHBondContact O-N 3.29Å; I1298-I1305 HydrophobicContact CG2-CG2 4.11Å; I1298-V1307 HydrophobicContact CB-CG2 4Å; I1298-V1307 HydrophobicContact CG2-CG2 3.52Å |
| 1299 | K | 89.4 | Confident | 89.4 | Confident | 84 Ų | 84 | 72 Ų | 72 | 37% | 0.365 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.1 | -26 | 179.9 | -171 | 167.7 | -173.7 | 165.5 | 0 | 113.8 | L1224 L1295 H1297 | L1224-K1299 VanDerWaalsContact CD2-NZ 3.35Å; L1295-K1299 WeakPolarHBondContact O-CB 3.4Å; L1295-K1299 PolarHBondContact O-N 3.02Å; H1297-K1299 PolarHBondContact O-N 3.11Å |
| 1300 | S | 86.4 | Confident | 89.3 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 67% | 0.671 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -84.3 | -39 | 174.3 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | L1296 H1297 I1298 | L1296-S1300 VanDerWaalsContact O-CB 3.26Å; L1296-S1300 WeakPolarHBondContact O-CB 3.38Å; L1296-S1300 PolarHBondContact O-N 3.07Å; L1296-S1300 PolarHBondContact O-OG 2.85Å; H1297-S1300 PolarHBondContact O-N 2.86Å; I1298-S1300 VanDerWaalsContact C-N 3.26Å; I1298-S1300 PolarHBondContact O-N 3.38Å |
| 1301 | G | 80.1 | Confident | 89.1 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -76.2 | -34.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1297 I1298 | H1297-G1301 PolarHBondContact O-N 3.1Å; I1298-G1301 PolarHBondContact O-N 2.84Å |
| 1302 | N | 80.2 | Confident | 88.6 | Confident | 62 Ų | 62 | 76.9 Ų | 76.9 | 33% | 0.332 | 38% | 0.378 | S | S | . | . | | | trans | -138.7 | 104.8 | 179.9 | -165.9 | -18.6 | 0 | 0 | 0 | 112.2 | I1298 E1304 I1305 | I1298-N1302 PolarHBondContact O-N 3.29Å; N1302-E1304 VanDerWaalsContact C-N 3.27Å; N1302-E1304 PolarHBondContact O-N 3.26Å; N1302-E1304 PolarHBondContact OD1-N 3.4Å; N1302-I1305 HydrophobicContact CB-CB 4.44Å; N1302-I1305 HydrophobicContact CB-CD1 3.97Å; N1302-I1305 HydrophobicContact CB-CG1 4.14Å; N1302-I1305 WeakPolarHBondContact ND2-CD1 3.14Å; N1302-I1305 PolarHBondContact O-N 2.9Å |
| 1303 | R | 76.2 | Confident | 87.9 | Confident | 236 Ų | 236 | 74.5 Ų | 74.5 | 89% | 0.891 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -16.8 | -175.8 | -63.1 | -177.8 | -177.7 | 178.5 | 0.4 | 114.4 | | |
| 1304 | E | 83.7 | Confident | 87.5 | Confident | 174 Ų | 174 | 76 Ų | 76 | 81% | 0.813 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -19.8 | 178.3 | -62.9 | 178.4 | 176.9 | 0 | 0 | 111.7 | N1302 | N1302-E1304 VanDerWaalsContact C-N 3.27Å; N1302-E1304 PolarHBondContact O-N 3.26Å; N1302-E1304 PolarHBondContact OD1-N 3.4Å |
| 1305 | I | 88.8 | Confident | 87.2 | Confident | 12 Ų | 12 | 80.3 Ų | 80.3 | 6% | 0.062 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -87.7 | 117.3 | 177.8 | -59.9 | -180 | 0 | 0 | 0 | 109.8 | I1244 L1247 L1259 I1298 N1302 V1307 | I1244-I1305 HydrophobicContact CG2-CG2 3.48Å; I1244-I1305 VanDerWaalsContact CG2-CG2 3.48Å; L1247-I1305 HydrophobicContact CD2-CD1 3.94Å; L1247-I1305 HydrophobicContact CD2-CG1 4.43Å; L1247-I1305 HydrophobicContact CD2-CG2 4.44Å; L1259-I1305 HydrophobicContact CD1-CD1 3.99Å; L1259-I1305 HydrophobicContact CD2-CD1 4.19Å; I1298-I1305 HydrophobicContact CG2-CG2 4.11Å; N1302-I1305 HydrophobicContact CB-CB 4.44Å; N1302-I1305 HydrophobicContact CB-CD1 3.97Å; N1302-I1305 HydrophobicContact CB-CG1 4.14Å; N1302-I1305 WeakPolarHBondContact ND2-CD1 3.14Å; N1302-I1305 PolarHBondContact O-N 2.9Å; I1305-V1307 HydrophobicContact CG2-CG2 3.75Å |
| 1306 | Y | 91.1 | Very high | 87 | Confident | 119 Ų | 119 | 80.6 Ų | 80.6 | 47% | 0.467 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 120.6 | 169.4 | 172.3 | -87.4 | 0 | 0 | 0 | 109.6 | Y1243 I1244 R1245 N1308 | Y1243-Y1306 HydrophobicContact CD1-CD1 4.38Å; Y1243-Y1306 AromaticContact CD1-CE1 3.94Å; Y1243-Y1306 HydrophobicContact CD1-CE1 3.94Å; Y1243-Y1306 HydrophobicContact CE1-CD1 4.16Å; Y1243-Y1306 AromaticContact CE1-CE1 3.85Å; Y1243-Y1306 HydrophobicContact CE1-CE1 3.85Å; I1244-Y1306 CarbonylContact C-O 3.53Å; I1244-Y1306 WeakPolarHBondContact CA-O 3.41Å; R1245-Y1306 HydrophobicContact CB-CD1 4.03Å; R1245-Y1306 PolarHBondContact N-O 2.95Å; R1245-Y1306 PolarHBondContact O-N 3.48Å; Y1306-N1308 HydrophobicContact CE1-CB 4.18Å; Y1306-N1308 PolarHBondContact OH-ND2 2.79Å |
| 1307 | V | 92.4 | Very high | 86.9 | Confident | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.012 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.6 | 172.3 | -169.2 | 0 | 0 | 0 | 0 | 110.4 | L1242 Y1243 I1244 L1295 I1298 I1305 | L1242-V1307 HydrophobicContact CB-CG1 4.04Å; L1242-V1307 HydrophobicContact CD1-CG1 4.08Å; Y1243-V1307 WeakPolarHBondContact O-CA 3.43Å; I1244-V1307 HydrophobicContact CG1-CG1 3.96Å; I1244-V1307 HydrophobicContact CG1-CG2 4.03Å; I1244-V1307 HydrophobicContact CG2-CG2 4.33Å; L1295-V1307 HydrophobicContact CD1-CB 3.91Å; L1295-V1307 HydrophobicContact CD1-CG1 3.62Å; L1295-V1307 WeakPolarHBondContact CD1-O 3.44Å; I1298-V1307 HydrophobicContact CB-CG2 4Å; I1298-V1307 HydrophobicContact CG2-CG2 3.52Å; I1305-V1307 HydrophobicContact CG2-CG2 3.75Å |
| 1308 | N | 94.2 | Very high | 87 | Confident | 53 Ų | 53 | 75.1 Ų | 75.1 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 166.8 | 170.5 | -102.7 | -31.1 | 0 | 0 | 0 | 110 | L1242 Y1243 Y1306 A1310 | L1242-N1308 CarbonylContact C-O 3.56Å; L1242-N1308 WeakPolarHBondContact CA-O 3.47Å; Y1243-N1308 PolarHBondContact N-O 3.05Å; Y1243-N1308 PolarHBondContact O-N 3.02Å; Y1243-N1308 VanDerWaalsContact O-N 3.08Å; Y1306-N1308 HydrophobicContact CE1-CB 4.18Å; Y1306-N1308 PolarHBondContact OH-ND2 2.79Å; N1308-A1310 PolarHBondContact O-N 2.98Å |
| 1309 | F | 94.2 | Very high | 87.3 | Confident | 52 Ų | 52 | 76.3 Ų | 76.3 | 23% | 0.228 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 132.5 | 171.1 | -71.9 | -76.7 | 0 | 0 | 0 | 111 | A1237 S1238 N1241 L1242 A1291 K1292 L1295 | A1237-F1309 HydrophobicContact CB-CB 4.22Å; S1238-F1309 WeakPolarHBondContact O-CD1 3.41Å; N1241-F1309 WeakPolarHBondContact O-CA 3.38Å; L1242-F1309 HydrophobicContact CD2-CD1 3.71Å; L1242-F1309 HydrophobicContact CD2-CE1 3.74Å; L1242-F1309 HydrophobicContact CD2-CG 4.27Å; L1242-F1309 HydrophobicContact CD2-CZ 4.32Å; A1291-F1309 HydrophobicContact CB-CE1 3.85Å; K1292-F1309 HydrophobicContact CG-CZ 4.01Å; L1295-F1309 HydrophobicContact CD2-CD2 3.97Å; L1295-F1309 HydrophobicContact CD2-CE2 3.45Å; L1295-F1309 VanDerWaalsContact CD2-CE2 3.45Å; L1295-F1309 HydrophobicContact CD2-CZ 4.02Å |
| 1310 | A | 91.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 72.3 Ų | 72.3 | 3% | 0.033 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 140.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S1238 N1241 F1282 N1308 E1312 | S1238-A1310 WeakPolarHBondContact CB-O 3.42Å; S1238-A1310 PolarHBondContact N-O 2.81Å; S1238-A1310 PolarHBondContact OG-O 2.9Å; N1241-A1310 HydrophobicContact CB-CB 4.17Å; N1241-A1310 PolarHBondContact O-N 3.5Å; F1282-A1310 HydrophobicContact CD1-CB 4.02Å; F1282-A1310 HydrophobicContact CE1-CB 4.13Å; N1308-A1310 PolarHBondContact O-N 2.98Å; A1310-E1312 PolarHBondContact O-N 3.22Å |
| 1311 | Y | 89.3 | Confident | 87.9 | Confident | 169 Ų | 169 | 71.3 Ų | 71.3 | 66% | 0.663 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 120.9 | 170.3 | -68.2 | -70.7 | 0 | 0 | 0 | 109.8 | K1235 | K1235-Y1311 HydrophobicContact CB-CD1 3.65Å; K1235-Y1311 HydrophobicContact CB-CE1 3.7Å; K1235-Y1311 HydrophobicContact CD-CD1 4.31Å; K1235-Y1311 HydrophobicContact CD-CE1 4.12Å |
| 1312 | E | 81.8 | Confident | 88.5 | Confident | 83 Ų | 83 | 68 Ų | 68 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 146.6 | 165.9 | -107.5 | 179.9 | 115.9 | 0 | 0 | 110.2 | H1236 S1238 A1310 K1315 | H1236-E1312 PolarHBondContact O-N 3.45Å; S1238-E1312 WeakPolarHBondContact CA-OE2 3.32Å; S1238-E1312 WeakPolarHBondContact CB-OE2 3.49Å; A1310-E1312 PolarHBondContact O-N 3.22Å; E1312-K1315 WeakPolarHBondContact OE1-CE 3.15Å; E1312-K1315 IonicContact OE1-NZ 2.69Å; E1312-K1315 PolarHBondContact OE1-NZ 2.97Å |
| 1313 | S | 80.3 | Confident | 89 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 146.5 | 166.7 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | K1315 D1402 | S1313-K1315 PolarHBondContact O-N 3.14Å; S1313-D1402 WeakPolarHBondContact CB-OD1 3.49Å; S1313-D1402 WeakPolarHBondContact CB-OD2 3.36Å; S1313-D1402 PolarHBondContact OG-OD2 3.42Å |
| 1314 | E | 82.9 | Confident | 89.6 | Confident | 83 Ų | 83 | 57.5 Ų | 57.5 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 131.3 | 159.6 | -165.9 | -171.2 | -164.1 | 0 | 0 | 107.6 | R1403 | E1314-R1403 WeakPolarHBondContact O-CB 3.41Å; E1314-R1403 PolarHBondContact O-N 3.22Å; E1314-R1403 IonicContact OE1-CZ 2.77Å; E1314-R1403 IonicContact OE1-NH1 3.71Å; E1314-R1403 PolarHBondContact OE1-NH1 3.33Å; E1314-R1403 WeakPolarHBondContact OE2-CD 3.25Å; E1314-R1403 IonicContact OE2-CZ 2.96Å; E1314-R1403 IonicContact OE2-NE 3.95Å; E1314-R1403 IonicContact OE2-NH1 2.65Å; E1314-R1403 PolarHBondContact OE2-NH1 3.07Å |
| 1315 | K | 85.6 | Confident | 89.8 | Confident | 89 Ų | 89 | 49.2 Ų | 49.2 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 142.2 | -176.6 | -67.8 | 166.6 | -168.7 | 165.9 | 0 | 110.1 | E1312 S1313 P1317 L1400 A1401 | E1312-K1315 WeakPolarHBondContact OE1-CE 3.15Å; E1312-K1315 IonicContact OE1-NZ 2.69Å; E1312-K1315 PolarHBondContact OE1-NZ 2.97Å; S1313-K1315 PolarHBondContact O-N 3.14Å; K1315-P1317 WeakPolarHBondContact O-CD 3.35Å; K1315-L1400 HydrophobicContact CB-CB 4.02Å; K1315-L1400 HydrophobicContact CB-CD1 4.32Å; K1315-L1400 HydrophobicContact CD-CB 4.46Å; K1315-A1401 CarbonylContact C-O 3.47Å; K1315-A1401 WeakPolarHBondContact CA-O 3.38Å |
| 1316 | D | 88.3 | Confident | 89.6 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 114.1 | 175.8 | -175.6 | -17.1 | 0 | 0 | 0 | 108.1 | Q1318 N1319 A1401 R1403 | D1316-Q1318 PolarHBondContact O-N 3.18Å; D1316-Q1318 VanDerWaalsContact O-N 3.17Å; D1316-Q1318 PolarHBondContact OD1-N 3.17Å; D1316-N1319 HydrophobicContact CB-CB 3.86Å; D1316-N1319 PolarHBondContact O-N 2.91Å; D1316-N1319 PolarHBondContact OD1-N 2.97Å; D1316-N1319 WeakPolarHBondContact OD2-CB 3.39Å; D1316-A1401 PolarHBondContact N-O 3.29Å; D1316-R1403 HydrophobicContact CB-CG 3.73Å |
| 1317 | P | 89.1 | Confident | 89.1 | Confident | 53 Ų | 53 | 47.3 Ų | 47.3 | 34% | 0.344 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -10.4 | -176.7 | 32.1 | -37.6 | 0 | 0 | 0 | 113.4 | K1315 S1372 A1375 | K1315-P1317 WeakPolarHBondContact O-CD 3.35Å; P1317-S1372 VanDerWaalsContact O-CA 3.26Å; P1317-S1372 WeakPolarHBondContact O-CA 3.45Å; P1317-S1372 WeakPolarHBondContact O-CB 3.42Å; P1317-A1375 WeakPolarHBondContact O-CB 3.26Å |
| 1318 | Q | 92.6 | Very high | 88.5 | Confident | 53 Ų | 53 | 50.6 Ų | 50.6 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -22.6 | 177 | -68.9 | -176.2 | -23.1 | 0 | 0 | 113.7 | D1316 R1368 F1369 V1370 | D1316-Q1318 PolarHBondContact O-N 3.18Å; D1316-Q1318 VanDerWaalsContact O-N 3.17Å; D1316-Q1318 PolarHBondContact OD1-N 3.17Å; Q1318-R1368 HydrophobicContact CB-CG 4.18Å; Q1318-R1368 CarbonylContact O-C 3.56Å; Q1318-R1368 WeakPolarHBondContact O-CA 3.08Å; Q1318-F1369 PolarHBondContact O-N 2.87Å; Q1318-V1370 PolarHBondContact NE2-O 2.96Å |
| 1319 | N | 94.3 | Very high | 87.9 | Confident | 29 Ų | 29 | 49.4 Ų | 49.4 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 132.7 | -173.1 | -169.9 | 26 | 0 | 0 | 0 | 110.8 | D1316 V1367 R1368 A1401 | D1316-N1319 HydrophobicContact CB-CB 3.86Å; D1316-N1319 PolarHBondContact O-N 2.91Å; D1316-N1319 PolarHBondContact OD1-N 2.97Å; D1316-N1319 WeakPolarHBondContact OD2-CB 3.39Å; N1319-V1367 PolarHBondContact OD1-O 2.81Å; N1319-R1368 HydrophobicContact CB-CB 4.35Å; N1319-R1368 HydrophobicContact CB-CG 4.2Å; N1319-A1401 HydrophobicContact CB-CB 4.01Å; N1319-A1401 WeakPolarHBondContact O-CB 3.41Å; N1319-A1401 PolarHBondContact O-N 3.14Å |
| 1320 | V | 94.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.6 | -171.3 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | I1322 F1341 F1366 V1367 F1369 A1375 I1379 V1398 K1399 | V1320-I1322 HydrophobicContact CG1-CG1 4.41Å; V1320-F1341 HydrophobicContact CG1-CE1 4.31Å; V1320-F1366 CarbonylContact O-C 3.59Å; V1320-F1366 VanDerWaalsContact O-CA 3.26Å; V1320-F1366 WeakPolarHBondContact O-CA 3.48Å; V1320-V1367 WeakPolarHBondContact CA-O 3.21Å; V1320-V1367 VanDerWaalsContact CB-O 3.29Å; V1320-V1367 WeakPolarHBondContact CB-O 3.32Å; V1320-V1367 PolarHBondContact N-O 2.92Å; V1320-V1367 PolarHBondContact O-N 3.03Å; V1320-F1369 HydrophobicContact CG2-CD2 3.92Å; V1320-F1369 HydrophobicContact CG2-CE2 3.92Å; V1320-A1375 HydrophobicContact CG2-CB 3.62Å; V1320-I1379 HydrophobicContact CG1-CD1 4.42Å; V1320-I1379 HydrophobicContact CG1-CG1 3.93Å; V1320-I1379 HydrophobicContact CG2-CD1 4.22Å; V1320-I1379 HydrophobicContact CG2-CG1 4.33Å; V1320-V1398 HydrophobicContact CG1-CG1 3.19Å; V1320-K1399 CarbonylContact C-O 3.6Å; V1320-K1399 WeakPolarHBondContact CA-O 3.48Å; V1320-K1399 WeakPolarHBondContact CG1-O 3.48Å |
| 1321 | Y | 94.4 | Very high | 86.6 | Confident | 74 Ų | 74 | 53 Ų | 53 | 29% | 0.29 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 138 | 172.3 | 178.9 | -115.2 | 0 | 0 | 0 | 110.2 | T1323 M1353 A1364 G1365 F1366 K1399 | Y1321-T1323 HydrophobicContact CE1-CG2 3.56Å; Y1321-T1323 WeakPolarHBondContact OH-CG2 3.26Å; Y1321-M1353 HydrophobicContact CE2-SD 3.98Å; Y1321-A1364 HydrophobicContact CE2-CB 3.82Å; Y1321-A1364 WeakPolarHBondContact OH-CB 3.23Å; Y1321-G1365 WeakPolarHBondContact CD2-O 3.38Å; Y1321-F1366 HydrophobicContact CD2-CD1 4.01Å; Y1321-F1366 AromaticContact CD2-CE1 3.47Å; Y1321-F1366 HydrophobicContact CD2-CE1 3.47Å; Y1321-F1366 VanDerWaalsContact CD2-CE1 3.47Å; Y1321-F1366 HydrophobicContact CD2-CE2 4.39Å; Y1321-F1366 AromaticContact CD2-CZ 3.69Å; Y1321-F1366 HydrophobicContact CD2-CZ 3.69Å; Y1321-F1366 HydrophobicContact CE2-CE1 4.42Å; Y1321-F1366 HydrophobicContact CE2-CZ 4.21Å; Y1321-F1366 HydrophobicContact CG-CE1 4.09Å; Y1321-K1399 PolarHBondContact N-O 2.83Å; Y1321-K1399 PolarHBondContact O-N 2.67Å |
| 1322 | I | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.4 | -170.6 | -53.1 | 163.6 | 0 | 0 | 0 | 108.4 | V1320 I1325 L1337 F1341 A1364 G1365 V1367 L1396 E1397 | V1320-I1322 HydrophobicContact CG1-CG1 4.41Å; I1322-I1325 HydrophobicContact CB-CD1 4.3Å; I1322-I1325 HydrophobicContact CG2-CD1 3.98Å; I1322-I1325 HydrophobicContact CG2-CG1 3.94Å; I1322-L1337 HydrophobicContact CD1-CD1 4.11Å; I1322-L1337 HydrophobicContact CD1-CD2 4.26Å; I1322-L1337 HydrophobicContact CD1-CG 4.33Å; I1322-F1341 HydrophobicContact CB-CZ 4.46Å; I1322-F1341 HydrophobicContact CD1-CD1 4.31Å; I1322-F1341 HydrophobicContact CD1-CD2 4.3Å; I1322-F1341 HydrophobicContact CD1-CE1 3.63Å; I1322-F1341 HydrophobicContact CD1-CE2 3.63Å; I1322-F1341 HydrophobicContact CD1-CZ 3.25Å; I1322-F1341 HydrophobicContact CG1-CE1 3.88Å; I1322-F1341 HydrophobicContact CG1-CE2 4.32Å; I1322-F1341 HydrophobicContact CG1-CZ 3.53Å; I1322-F1341 HydrophobicContact CG2-CE2 4.49Å; I1322-F1341 HydrophobicContact CG2-CZ 4.07Å; I1322-A1364 CarbonylContact O-C 3.48Å; I1322-A1364 WeakPolarHBondContact O-CA 3.35Å; I1322-A1364 WeakPolarHBondContact O-CB 3.45Å; I1322-G1365 PolarHBondContact N-O 3.37Å; I1322-G1365 PolarHBondContact O-N 3.22Å; I1322-V1367 HydrophobicContact CD1-CB 4.05Å; I1322-V1367 HydrophobicContact CD1-CG2 3.56Å; I1322-L1396 HydrophobicContact CG2-CD2 3.85Å; I1322-E1397 WeakPolarHBondContact CA-O 3.16Å |
| 1323 | T | 90.5 | Very high | 86.1 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 163 | 177.4 | 25.4 | 0 | 0 | 0 | 0 | 111.9 | Y1321 I1325 A1364 E1397 | Y1321-T1323 HydrophobicContact CE1-CG2 3.56Å; Y1321-T1323 WeakPolarHBondContact OH-CG2 3.26Å; T1323-I1325 VanDerWaalsContact C-N 3.34Å; T1323-A1364 HydrophobicContact CG2-CB 4.24Å; T1323-E1397 PolarHBondContact N-O 3.16Å; T1323-E1397 PolarHBondContact O-N 3.04Å; T1323-E1397 VanDerWaalsContact O-N 3.07Å; T1323-E1397 WeakPolarHBondContact OG1-CB 3.13Å; T1323-E1397 PolarHBondContact OG1-O 3.27Å; T1323-E1397 PolarHBondContact OG1-OE2 3.26Å; T1323-E1397 VanDerWaalsContact OG1-OE2 3.07Å |
| 1324 | N | 89.2 | Confident | 86.4 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | | | trans | 70.5 | 19.9 | -174 | -56.8 | -27.8 | 0 | 0 | 0 | 115.6 | G1363 P1395 | N1324-G1363 PolarHBondContact N-O 2.86Å; N1324-G1363 VanDerWaalsContact N-O 3.09Å; N1324-P1395 WeakPolarHBondContact CB-O 3.37Å; N1324-P1395 PolarHBondContact ND2-O 2.93Å |
| 1325 | I | 88.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | | | trans | -60.4 | 141.8 | 166.8 | -53.6 | -174.7 | 0 | 0 | 0 | 108.9 | I1322 T1323 W1329 L1337 G1363 A1364 L1396 | I1322-I1325 HydrophobicContact CB-CD1 4.3Å; I1322-I1325 HydrophobicContact CG2-CD1 3.98Å; I1322-I1325 HydrophobicContact CG2-CG1 3.94Å; T1323-I1325 VanDerWaalsContact C-N 3.34Å; I1325-W1329 HydrophobicContact CG2-CB 3.99Å; I1325-W1329 HydrophobicContact CG2-CD2 3.85Å; I1325-W1329 HydrophobicContact CG2-CE3 3.52Å; I1325-W1329 HydrophobicContact CG2-CG 4.06Å; I1325-W1329 HydrophobicContact CG2-CZ3 4.33Å; I1325-L1337 HydrophobicContact CD1-CD1 3.68Å; I1325-G1363 PolarHBondContact N-O 2.96Å; I1325-G1363 VanDerWaalsContact N-O 3.11Å; I1325-G1363 WeakPolarHBondContact O-CA 3.31Å; I1325-A1364 VanDerWaalsContact CD1-C 3.49Å; I1325-L1396 HydrophobicContact CG1-CD2 4.09Å |
| 1326 | P | 83.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | | | trans | -55.5 | 145.1 | 176.5 | -26.2 | 34.1 | 0 | 0 | 0 | 113.2 | S1328 W1329 L1389 E1390 N1391 | P1326-S1328 WeakPolarHBondContact CB-OG 3.5Å; P1326-S1328 PolarHBondContact O-N 3.4Å; P1326-W1329 HydrophobicContact CB-CG 4.23Å; P1326-W1329 HydrophobicContact CG-CD2 4.49Å; P1326-W1329 HydrophobicContact CG-CG 4.31Å; P1326-W1329 PolarHBondContact O-N 2.76Å; P1326-L1389 VanDerWaalsContact CD-CD1 3.48Å; P1326-L1389 HydrophobicContact CG-CB 3.71Å; P1326-L1389 HydrophobicContact CG-CD1 4.2Å; P1326-E1390 WeakPolarHBondContact CG-O 3.32Å; P1326-N1391 HydrophobicContact CB-CB 4.28Å |
| 1327 | E | 81.7 | Confident | 87 | Confident | 90 Ų | 90 | 43.9 Ų | 43.9 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -15.9 | 175.8 | -72.3 | -171.5 | 160.3 | 0 | 0 | 113.2 | K1393 | E1327-K1393 WeakPolarHBondContact OE1-CE 3.32Å; E1327-K1393 IonicContact OE1-NZ 3.81Å; E1327-K1393 PolarHBondContact OE1-NZ 2.99Å; E1327-K1393 IonicContact OE2-NZ 2.75Å |
| 1328 | S | 79.8 | Confident | 87.1 | Confident | 72 Ų | 72 | 44 Ų | 44 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -20.6 | 174.7 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | P1326 | P1326-S1328 WeakPolarHBondContact CB-OG 3.5Å; P1326-S1328 PolarHBondContact O-N 3.4Å |
| 1329 | W | 81.1 | Confident | 87 | Confident | 28 Ų | 28 | 48.2 Ų | 48.2 | 11% | 0.106 | 26% | 0.263 | C | S | . | . | | | trans | -72.7 | 138.5 | -178.2 | -79.1 | 25.9 | 0 | 0 | 0 | 111.2 | I1325 P1326 N1333 D1336 L1337 I1340 C1361 L1389 | I1325-W1329 HydrophobicContact CG2-CB 3.99Å; I1325-W1329 HydrophobicContact CG2-CD2 3.85Å; I1325-W1329 HydrophobicContact CG2-CE3 3.52Å; I1325-W1329 HydrophobicContact CG2-CG 4.06Å; I1325-W1329 HydrophobicContact CG2-CZ3 4.33Å; P1326-W1329 HydrophobicContact CB-CG 4.23Å; P1326-W1329 HydrophobicContact CG-CD2 4.49Å; P1326-W1329 HydrophobicContact CG-CG 4.31Å; P1326-W1329 PolarHBondContact O-N 2.76Å; W1329-N1333 WeakPolarHBondContact CA-OD1 3.42Å; W1329-N1333 HydrophobicContact CB-CB 3.93Å; W1329-N1333 HydrophobicContact CD2-CB 3.65Å; W1329-N1333 HydrophobicContact CE3-CB 3.73Å; W1329-N1333 HydrophobicContact CG-CB 3.76Å; W1329-N1333 HydrophobicContact CZ3-CB 4.4Å; W1329-D1336 HydrophobicContact CH2-CB 3.57Å; W1329-D1336 HydrophobicContact CZ2-CB 3.99Å; W1329-D1336 HydrophobicContact CZ3-CB 4.1Å; W1329-L1337 HydrophobicContact CZ3-CB 4.1Å; W1329-L1337 HydrophobicContact CZ3-CD1 3.96Å; W1329-I1340 HydrophobicContact CH2-CD1 3.84Å; W1329-C1361 WeakPolarHBondContact O-CB 3.08Å; W1329-L1389 HydrophobicContact CE3-CD1 4.47Å; W1329-L1389 HydrophobicContact CH2-CD1 3.6Å; W1329-L1389 HydrophobicContact CH2-CD2 3.89Å; W1329-L1389 HydrophobicContact CH2-CG 4.42Å; W1329-L1389 HydrophobicContact CZ2-CD1 3.7Å; W1329-L1389 HydrophobicContact CZ2-CD2 3.65Å; W1329-L1389 HydrophobicContact CZ2-CG 4.29Å; W1329-L1389 HydrophobicContact CZ3-CD1 4Å |
| 1330 | T | 79.6 | Confident | 86.8 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 37% | 0.368 | 27% | 0.265 | S | S | . | . | | | trans | -125.1 | -166.1 | 175.9 | 86 | 0 | 0 | 0 | 0 | 111.2 | S1332 N1333 | T1330-S1332 PolarHBondContact O-N 2.76Å; T1330-S1332 VanDerWaalsContact O-N 3.11Å; T1330-S1332 PolarHBondContact OG1-N 2.63Å; T1330-S1332 PolarHBondContact OG1-OG 2.87Å; T1330-N1333 PolarHBondContact N-OD1 3.05Å; T1330-N1333 PolarHBondContact O-N 3.11Å |
| 1331 | A | 77.6 | Confident | 86.8 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 59% | 0.587 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -59.7 | -17 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1334 | A1331-V1334 WeakPolarHBondContact O-CG2 3.21Š|
| 1332 | S | 78.2 | Confident | 86.7 | Confident | 84 Ų | 84 | 51 Ų | 51 | 59% | 0.587 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -63.1 | -40.6 | 169 | 46.5 | 0 | 0 | 0 | 0 | 113.3 | T1330 V1334 | T1330-S1332 PolarHBondContact O-N 2.76Å; T1330-S1332 VanDerWaalsContact O-N 3.11Å; T1330-S1332 PolarHBondContact OG1-N 2.63Å; T1330-S1332 PolarHBondContact OG1-OG 2.87Å; S1332-V1334 PolarHBondContact O-N 3.43Å; S1332-V1334 VanDerWaalsContact O-N 3.1Å |
| 1333 | N | 83.8 | Confident | 86.7 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -83.6 | 17.8 | -170.9 | -56.3 | 89.1 | 0 | 0 | 0 | 113.1 | W1329 T1330 E1335 D1336 L1337 | W1329-N1333 WeakPolarHBondContact CA-OD1 3.42Å; W1329-N1333 HydrophobicContact CB-CB 3.93Å; W1329-N1333 HydrophobicContact CD2-CB 3.65Å; W1329-N1333 HydrophobicContact CE3-CB 3.73Å; W1329-N1333 HydrophobicContact CG-CB 3.76Å; W1329-N1333 HydrophobicContact CZ3-CB 4.4Å; T1330-N1333 PolarHBondContact N-OD1 3.05Å; T1330-N1333 PolarHBondContact O-N 3.11Å; N1333-E1335 VanDerWaalsContact C-N 3.27Å; N1333-D1336 WeakPolarHBondContact CA-OD2 3.26Å; N1333-D1336 VanDerWaalsContact CB-OD2 3.26Å; N1333-D1336 WeakPolarHBondContact CB-OD2 3.31Å; N1333-D1336 PolarHBondContact ND2-OD2 3.37Å; N1333-L1337 PolarHBondContact O-N 2.81Å; N1333-L1337 VanDerWaalsContact O-N 3.11Å |
| 1334 | V | 87.3 | Confident | 86.8 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 17% | 0.17 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.5 | -26.4 | 175 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | A1331 S1332 K1338 A1350 V1352 | A1331-V1334 WeakPolarHBondContact O-CG2 3.21Å; S1332-V1334 PolarHBondContact O-N 3.43Å; S1332-V1334 VanDerWaalsContact O-N 3.1Å; V1334-K1338 PolarHBondContact O-N 2.83Å; V1334-K1338 VanDerWaalsContact O-N 3.08Å; V1334-A1350 HydrophobicContact CG1-CB 3.99Å; V1334-A1350 VanDerWaalsContact CG1-O 3.28Å; V1334-A1350 WeakPolarHBondContact CG1-O 3.33Å; V1334-V1352 HydrophobicContact CG2-CB 4.24Å; V1334-V1352 HydrophobicContact CG2-CG2 3.93Å |
| 1335 | E | 89.3 | Confident | 86.9 | Confident | 110 Ų | 110 | 55 Ų | 55 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -75.9 | -42.9 | 175.2 | -144.3 | 61.6 | -133.3 | 0 | 0 | 111.7 | N1333 L1337 K1338 Q1339 | N1333-E1335 VanDerWaalsContact C-N 3.27Å; E1335-L1337 VanDerWaalsContact C-N 3.27Å; E1335-L1337 PolarHBondContact O-N 3.39Å; E1335-K1338 CarbonylContact O-C 3.49Å; E1335-K1338 WeakPolarHBondContact O-CA 3.05Å; E1335-K1338 WeakPolarHBondContact O-CB 3.49Å; E1335-K1338 PolarHBondContact O-N 3.08Å; E1335-K1338 VanDerWaalsContact OE1-CE 3.22Å; E1335-K1338 WeakPolarHBondContact OE1-CE 3.22Å; E1335-K1338 IonicContact OE1-NZ 2.62Å; E1335-K1338 PolarHBondContact OE1-NZ 3.45Å; E1335-K1338 VanDerWaalsContact OE2-CE 3.27Å; E1335-K1338 WeakPolarHBondContact OE2-CE 3.46Å; E1335-K1338 IonicContact OE2-NZ 3.62Å; E1335-K1338 PolarHBondContact OE2-NZ 3.42Å; E1335-Q1339 PolarHBondContact O-N 2.82Å |
| 1336 | D | 88.8 | Confident | 87.2 | Confident | 58 Ų | 58 | 58.2 Ų | 58.2 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -55.5 | -44.8 | 171.3 | -40.2 | -22.9 | 0 | 0 | 0 | 110.8 | W1329 N1333 K1338 Q1339 I1340 | W1329-D1336 HydrophobicContact CH2-CB 3.57Å; W1329-D1336 HydrophobicContact CZ2-CB 3.99Å; W1329-D1336 HydrophobicContact CZ3-CB 4.1Å; N1333-D1336 WeakPolarHBondContact CA-OD2 3.26Å; N1333-D1336 VanDerWaalsContact CB-OD2 3.26Å; N1333-D1336 WeakPolarHBondContact CB-OD2 3.31Å; N1333-D1336 PolarHBondContact ND2-OD2 3.37Å; D1336-K1338 VanDerWaalsContact C-N 3.31Å; D1336-K1338 PolarHBondContact O-N 2.96Å; D1336-Q1339 PolarHBondContact O-N 3.43Å; D1336-I1340 WeakPolarHBondContact O-CD1 3.21Å; D1336-I1340 WeakPolarHBondContact O-CG1 3.4Å; D1336-I1340 PolarHBondContact O-N 2.88Å; D1336-I1340 VanDerWaalsContact O-N 3.13Å |
| 1337 | L | 89.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 174.2 | -163.7 | 82.8 | 0 | 0 | 0 | 112.1 | I1322 I1325 W1329 N1333 E1335 F1341 A1350 V1352 V1367 | I1322-L1337 HydrophobicContact CD1-CD1 4.11Å; I1322-L1337 HydrophobicContact CD1-CD2 4.26Å; I1322-L1337 HydrophobicContact CD1-CG 4.33Å; I1325-L1337 HydrophobicContact CD1-CD1 3.68Å; W1329-L1337 HydrophobicContact CZ3-CB 4.1Å; W1329-L1337 HydrophobicContact CZ3-CD1 3.96Å; N1333-L1337 PolarHBondContact O-N 2.81Å; N1333-L1337 VanDerWaalsContact O-N 3.11Å; E1335-L1337 VanDerWaalsContact C-N 3.27Å; E1335-L1337 PolarHBondContact O-N 3.39Å; L1337-F1341 VanDerWaalsContact O-CD2 3.27Å; L1337-F1341 WeakPolarHBondContact O-CD2 3.26Å; L1337-F1341 PolarHBondContact O-N 3.11Å; L1337-A1350 HydrophobicContact CD2-CB 4.33Å; L1337-V1352 HydrophobicContact CD2-CG2 4.17Å; L1337-V1367 HydrophobicContact CD2-CG2 3.8Å; L1337-V1367 HydrophobicContact CG-CG2 4.08Å |
| 1338 | K | 92 | Very high | 88.2 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 24% | 0.243 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.1 | -47.1 | 173.8 | -82.9 | -173.9 | -92.4 | 155.4 | 0 | 111.4 | V1334 E1335 D1336 I1340 F1341 Q1342 I1347 A1350 | V1334-K1338 PolarHBondContact O-N 2.83Å; V1334-K1338 VanDerWaalsContact O-N 3.08Å; E1335-K1338 CarbonylContact O-C 3.49Å; E1335-K1338 WeakPolarHBondContact O-CA 3.05Å; E1335-K1338 WeakPolarHBondContact O-CB 3.49Å; E1335-K1338 PolarHBondContact O-N 3.08Å; E1335-K1338 VanDerWaalsContact OE1-CE 3.22Å; E1335-K1338 WeakPolarHBondContact OE1-CE 3.22Å; E1335-K1338 IonicContact OE1-NZ 2.62Å; E1335-K1338 PolarHBondContact OE1-NZ 3.45Å; E1335-K1338 VanDerWaalsContact OE2-CE 3.27Å; E1335-K1338 WeakPolarHBondContact OE2-CE 3.46Å; E1335-K1338 IonicContact OE2-NZ 3.62Å; E1335-K1338 PolarHBondContact OE2-NZ 3.42Å; D1336-K1338 VanDerWaalsContact C-N 3.31Å; D1336-K1338 PolarHBondContact O-N 2.96Å; K1338-I1340 VanDerWaalsContact C-N 3.25Å; K1338-I1340 PolarHBondContact O-N 2.87Å; K1338-F1341 CarbonylContact O-C 3.52Å; K1338-F1341 PolarHBondContact O-N 2.93Å; K1338-Q1342 VanDerWaalsContact O-CB 3.23Å; K1338-Q1342 WeakPolarHBondContact O-CB 3.12Å; K1338-Q1342 PolarHBondContact O-N 3.35Å; K1338-I1347 HydrophobicContact CB-CD1 4.04Å; K1338-I1347 HydrophobicContact CD-CG2 4.48Å; K1338-I1347 HydrophobicContact CG-CD1 3.93Å; K1338-I1347 HydrophobicContact CG-CG2 4.26Å; K1338-I1347 WeakPolarHBondContact O-CD1 3.42Å; K1338-A1350 HydrophobicContact CD-CB 4.07Å; K1338-A1350 HydrophobicContact CG-CB 3.42Å; K1338-A1350 VanDerWaalsContact CG-CB 3.42Å |
| 1339 | Q | 91.1 | Very high | 88.8 | Confident | 142 Ų | 142 | 58.7 Ų | 58.7 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.4 | -36.8 | -177 | -169.7 | 177.5 | 5.2 | 0 | 0 | 112.4 | E1335 D1336 P1343 | E1335-Q1339 PolarHBondContact O-N 2.82Å; D1336-Q1339 PolarHBondContact O-N 3.43Å; Q1339-P1343 WeakPolarHBondContact O-CD 3.42Å |
| 1340 | I | 90.4 | Very high | 89.4 | Confident | 37 Ų | 37 | 58 Ų | 58 | 19% | 0.19 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.9 | -35.5 | 176 | -65.2 | 161.6 | 0 | 0 | 0 | 112.2 | W1329 D1336 K1338 Y1344 I1387 L1389 L1396 | W1329-I1340 HydrophobicContact CH2-CD1 3.84Å; D1336-I1340 WeakPolarHBondContact O-CD1 3.21Å; D1336-I1340 WeakPolarHBondContact O-CG1 3.4Å; D1336-I1340 PolarHBondContact O-N 2.88Å; D1336-I1340 VanDerWaalsContact O-N 3.13Å; K1338-I1340 VanDerWaalsContact C-N 3.25Å; K1338-I1340 PolarHBondContact O-N 2.87Å; I1340-Y1344 WeakPolarHBondContact O-CE2 3.3Å; I1340-I1387 HydrophobicContact CG2-CD1 4.22Å; I1340-L1389 HydrophobicContact CD1-CD1 4.47Å; I1340-L1389 HydrophobicContact CD1-CD2 3.75Å; I1340-L1396 HydrophobicContact CG2-CD1 4.25Å |
| 1341 | F | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -94.4 | -19.4 | -174.4 | -79.4 | -108.3 | 0 | 0 | 0 | 113.6 | V1320 I1322 L1337 K1338 P1343 Y1344 I1347 V1367 F1369 A1378 I1382 V1398 | V1320-F1341 HydrophobicContact CG1-CE1 4.31Å; I1322-F1341 HydrophobicContact CB-CZ 4.46Å; I1322-F1341 HydrophobicContact CD1-CD1 4.31Å; I1322-F1341 HydrophobicContact CD1-CD2 4.3Å; I1322-F1341 HydrophobicContact CD1-CE1 3.63Å; I1322-F1341 HydrophobicContact CD1-CE2 3.63Å; I1322-F1341 HydrophobicContact CD1-CZ 3.25Å; I1322-F1341 HydrophobicContact CG1-CE1 3.88Å; I1322-F1341 HydrophobicContact CG1-CE2 4.32Å; I1322-F1341 HydrophobicContact CG1-CZ 3.53Å; I1322-F1341 HydrophobicContact CG2-CE2 4.49Å; I1322-F1341 HydrophobicContact CG2-CZ 4.07Å; L1337-F1341 VanDerWaalsContact O-CD2 3.27Å; L1337-F1341 WeakPolarHBondContact O-CD2 3.26Å; L1337-F1341 PolarHBondContact O-N 3.11Å; K1338-F1341 CarbonylContact O-C 3.52Å; K1338-F1341 PolarHBondContact O-N 2.93Å; F1341-P1343 VanDerWaalsContact C-CD 3.45Å; F1341-Y1344 PolarHBondContact O-N 2.84Å; F1341-I1347 HydrophobicContact CB-CD1 3.69Å; F1341-V1367 HydrophobicContact CB-CG1 4.05Å; F1341-V1367 HydrophobicContact CB-CG2 4.3Å; F1341-V1367 HydrophobicContact CD1-CB 4.09Å; F1341-V1367 HydrophobicContact CD1-CG1 4.12Å; F1341-V1367 HydrophobicContact CD1-CG2 4.16Å; F1341-V1367 HydrophobicContact CD2-CG2 4.34Å; F1341-V1367 HydrophobicContact CG-CB 4.37Å; F1341-V1367 HydrophobicContact CG-CG1 4.28Å; F1341-V1367 HydrophobicContact CG-CG2 4Å; F1341-F1369 HydrophobicContact CB-CZ 4.03Å; F1341-F1369 HydrophobicContact CD1-CE2 4.14Å; F1341-F1369 AromaticContact CD1-CZ 3.97Å; F1341-F1369 HydrophobicContact CD1-CZ 3.97Å; F1341-A1378 HydrophobicContact CD1-CB 4.3Å; F1341-I1382 HydrophobicContact CD1-CD1 3.76Å; F1341-I1382 HydrophobicContact CD2-CD1 4.03Å; F1341-I1382 HydrophobicContact CE1-CD1 3.33Å; F1341-I1382 HydrophobicContact CE2-CD1 3.63Å; F1341-I1382 HydrophobicContact CG-CD1 4.08Å; F1341-I1382 HydrophobicContact CZ-CD1 3.24Å; F1341-V1398 HydrophobicContact CE1-CG1 3.95Å; F1341-V1398 HydrophobicContact CE1-CG2 4.48Å; F1341-V1398 HydrophobicContact CZ-CG1 4.33Å; F1341-V1398 HydrophobicContact CZ-CG2 4.1Å |
| 1342 | Q | 92.5 | Very high | 90.5 | Very high | 125 Ų | 125 | 56.8 Ų | 56.8 | 58% | 0.584 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -58.4 | -36.5 | -179 | 176.8 | 175.8 | -11 | 0 | 0 | 114.9 | K1338 Y1344 G1345 I1347 | K1338-Q1342 VanDerWaalsContact O-CB 3.23Å; K1338-Q1342 WeakPolarHBondContact O-CB 3.12Å; K1338-Q1342 PolarHBondContact O-N 3.35Å; Q1342-Y1344 PolarHBondContact O-N 3.47Å; Q1342-G1345 PolarHBondContact O-N 3.11Å; Q1342-I1347 HydrophobicContact CB-CD1 4.44Å |
| 1343 | P | 92.5 | Very high | 91 | Very high | 106 Ų | 106 | 56 Ų | 56 | 69% | 0.688 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -60.2 | -26.4 | 176.3 | -26.6 | 36.2 | 0 | 0 | 0 | 114.1 | Q1339 F1341 | Q1339-P1343 WeakPolarHBondContact O-CD 3.42Å; F1341-P1343 VanDerWaalsContact C-CD 3.45Å |
| 1344 | Y | 92.9 | Very high | 91.1 | Very high | 45 Ų | 45 | 57.1 Ų | 57.1 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -82 | -23.7 | -179.2 | -54.6 | -74.9 | 0 | 0 | 0 | 112.6 | I1340 F1341 Q1342 R1377 A1378 I1382 | I1340-Y1344 WeakPolarHBondContact O-CE2 3.3Å; F1341-Y1344 PolarHBondContact O-N 2.84Å; Q1342-Y1344 PolarHBondContact O-N 3.47Å; Y1344-R1377 PolarHBondContact O-NH2 3.02Å; Y1344-A1378 HydrophobicContact CD2-CB 4.07Å; Y1344-A1378 HydrophobicContact CG-CB 3.87Å; Y1344-I1382 HydrophobicContact CD2-CD1 4.21Å; Y1344-I1382 HydrophobicContact CD2-CG1 4.21Å; Y1344-I1382 HydrophobicContact CE1-CG1 4.5Å; Y1344-I1382 HydrophobicContact CE2-CD1 3.7Å; Y1344-I1382 HydrophobicContact CE2-CG1 3.37Å; Y1344-I1382 WeakPolarHBondContact OH-CG1 3.19Å |
| 1345 | G | 92.1 | Very high | 90.5 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 161.6 | 174.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q1342 I1347 F1369 | Q1342-G1345 PolarHBondContact O-N 3.11Å; G1345-I1347 PolarHBondContact O-N 3.11Å; G1345-F1369 WeakPolarHBondContact O-CE1 3.28Å |
| 1346 | P | 94 | Very high | 89.7 | Confident | 67 Ų | 67 | 66.5 Ų | 66.5 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | | | trans | -57.8 | 119.9 | 177.5 | 22.6 | -35.4 | 0 | 0 | 0 | 113.1 | F1369 V1370 D1374 | P1346-F1369 WeakPolarHBondContact O-CA 3.33Å; P1346-V1370 HydrophobicContact CB-CB 4.33Å; P1346-V1370 HydrophobicContact CB-CG2 4.04Å; P1346-V1370 HydrophobicContact CG-CB 4.2Å; P1346-V1370 HydrophobicContact CG-CG2 4.45Å; P1346-V1370 PolarHBondContact O-N 3.28Å; P1346-D1374 WeakPolarHBondContact CD-OD2 3.41Å |
| 1347 | I | 94.2 | Very high | 88.8 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 20% | 0.195 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131 | 175.4 | -61.2 | 173.3 | 0 | 0 | 0 | 109.7 | K1338 F1341 Q1342 G1345 A1350 V1367 F1369 | K1338-I1347 HydrophobicContact CB-CD1 4.04Å; K1338-I1347 HydrophobicContact CD-CG2 4.48Å; K1338-I1347 HydrophobicContact CG-CD1 3.93Å; K1338-I1347 HydrophobicContact CG-CG2 4.26Å; K1338-I1347 WeakPolarHBondContact O-CD1 3.42Å; F1341-I1347 HydrophobicContact CB-CD1 3.69Å; Q1342-I1347 HydrophobicContact CB-CD1 4.44Å; G1345-I1347 PolarHBondContact O-N 3.11Å; I1347-A1350 HydrophobicContact CG2-CB 4.35Å; I1347-V1367 HydrophobicContact CD1-CG1 3.96Å; I1347-V1367 HydrophobicContact CG1-CG1 3.88Å; I1347-V1367 HydrophobicContact CG2-CG1 3.95Å; I1347-F1369 HydrophobicContact CG1-CD1 4.27Å; I1347-F1369 HydrophobicContact CG1-CE1 3.97Å; I1347-F1369 HydrophobicContact CG1-CZ 4.48Å |
| 1348 | A | 93.1 | Very high | 87.8 | Confident | 56 Ų | 56 | 72.4 Ų | 72.4 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -44.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1368 V1370 | A1348-R1368 WeakPolarHBondContact CA-O 3.35Å; A1348-R1368 WeakPolarHBondContact CB-O 3.25Å; A1348-R1368 PolarHBondContact N-O 2.81Å; A1348-V1370 HydrophobicContact CB-CG2 4.02Å |
| 1349 | T | 92.4 | Very high | 86.6 | Confident | 77 Ų | 77 | 75.2 Ų | 75.2 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 144.6 | 177 | 56.9 | 0 | 0 | 0 | 0 | 111.3 | R1368 | T1349-R1368 PolarHBondContact N-O 2.92Å; T1349-R1368 PolarHBondContact O-N 3.08Å; T1349-R1368 WeakPolarHBondContact OG1-CB 3.42Å |
| 1350 | A | 92.9 | Very high | 85.5 | Confident | 14 Ų | 14 | 74.4 Ų | 74.4 | 12% | 0.116 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1334 L1337 K1338 I1347 F1366 V1367 | V1334-A1350 HydrophobicContact CG1-CB 3.99Å; V1334-A1350 VanDerWaalsContact CG1-O 3.28Å; V1334-A1350 WeakPolarHBondContact CG1-O 3.33Å; L1337-A1350 HydrophobicContact CD2-CB 4.33Å; K1338-A1350 HydrophobicContact CD-CB 4.07Å; K1338-A1350 HydrophobicContact CG-CB 3.42Å; K1338-A1350 VanDerWaalsContact CG-CB 3.42Å; I1347-A1350 HydrophobicContact CG2-CB 4.35Å; A1350-F1366 CarbonylContact C-O 3.56Å; A1350-F1366 WeakPolarHBondContact CA-O 3.5Å; A1350-V1367 HydrophobicContact CB-CG2 4.11Å |
| 1351 | I | 91.3 | Very high | 84.7 | Confident | 99 Ų | 99 | 73 Ų | 73 | 51% | 0.508 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 125.9 | -176.8 | -55.2 | 179.7 | 0 | 0 | 0 | 109.8 | G1365 F1366 | I1351-G1365 CarbonylContact O-C 3.57Å; I1351-G1365 VanDerWaalsContact O-CA 3.25Å; I1351-G1365 WeakPolarHBondContact O-CA 3.49Å; I1351-F1366 PolarHBondContact N-O 3.09Å; I1351-F1366 PolarHBondContact O-N 3.43Å |
| 1352 | V | 90.6 | Very high | 84 | Confident | 7 Ų | 7 | 76.3 Ų | 76.3 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 129.9 | 166.2 | 176.2 | 0 | 0 | 0 | 0 | 108.8 | V1334 L1337 T1354 | V1334-V1352 HydrophobicContact CG2-CB 4.24Å; V1334-V1352 HydrophobicContact CG2-CG2 3.93Å; L1337-V1352 HydrophobicContact CD2-CG2 4.17Å; V1352-T1354 PolarHBondContact O-N 2.96Å |
| 1353 | M | 88.8 | Confident | 83.7 | Confident | 67 Ų | 67 | 70.8 Ų | 70.8 | 33% | 0.33 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 110.4 | -179.2 | -67.5 | -179.5 | 69 | 0 | 0 | 111 | Y1321 T1362 A1364 F1366 | Y1321-M1353 HydrophobicContact CE2-SD 3.98Å; M1353-T1362 VanDerWaalsContact CB-OG1 3.26Å; M1353-T1362 WeakPolarHBondContact CB-OG1 3.36Å; M1353-T1362 PolarHBondContact O-N 3.32Å; M1353-T1362 PolarHBondContact O-OG1 3.27Å; M1353-T1362 VanDerWaalsContact O-OG1 3.11Å; M1353-A1364 WeakPolarHBondContact CB-O 3.36Å; M1353-A1364 PolarHBondContact N-O 2.68Å; M1353-A1364 HydrophobicContact SD-CB 4.12Å; M1353-F1366 HydrophobicContact CE-CE2 4.25Å; M1353-F1366 HydrophobicContact CG-CD2 4.04Å; M1353-F1366 HydrophobicContact CG-CE2 3.99Å; M1353-F1366 HydrophobicContact SD-CD2 3.99Å; M1353-F1366 HydrophobicContact SD-CE2 3.39Å; M1353-F1366 WeakPolarHBondContact SD-CE2 3.17Å; M1353-F1366 HydrophobicContact SD-CZ 4.1Å |
| 1354 | T | 85.2 | Confident | 83.6 | Confident | 57 Ų | 57 | 65.9 Ų | 65.9 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 146.1 | 171.6 | 55.5 | 0 | 0 | 0 | 0 | 111.7 | V1352 R1356 N1359 F1360 | V1352-T1354 PolarHBondContact O-N 2.96Å; T1354-R1356 PolarHBondContact O-N 3.3Å; T1354-N1359 WeakPolarHBondContact CB-O 3.34Å; T1354-N1359 VanDerWaalsContact CG2-O 3.31Å; T1354-N1359 WeakPolarHBondContact CG2-O 3.34Å; T1354-F1360 CarbonylContact C-O 3.53Å; T1354-F1360 WeakPolarHBondContact CA-O 3.17Å |
| 1355 | K | 75.3 | Confident | 83.6 | Confident | 120 Ų | 120 | 63.7 Ų | 63.7 | 52% | 0.522 | 34% | 0.344 | S | S | . | . | | | trans | -81.6 | 110.7 | -179.7 | -169.4 | -178.4 | -179.5 | -179.5 | 0 | 110.2 | S1357 N1358 N1359 F1360 T1362 | K1355-S1357 WeakPolarHBondContact CE-OG 3.33Å; K1355-S1357 PolarHBondContact O-N 3.04Å; K1355-N1358 PolarHBondContact O-N 3.4Å; K1355-N1359 PolarHBondContact O-N 2.96Å; K1355-F1360 PolarHBondContact N-O 3.31Å; K1355-T1362 HydrophobicContact CB-CG2 3.94Å |
| 1356 | R | 71 | Confident | 83.7 | Confident | 216 Ų | 216 | 65.6 Ų | 65.6 | 82% | 0.815 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -16.8 | -175 | -167.7 | 168.7 | -177.6 | 171.3 | -1.3 | 116.4 | T1354 | T1354-R1356 PolarHBondContact O-N 3.3Š|
| 1357 | S | 71.1 | Confident | 83.8 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -23 | 175.6 | 60.7 | 0 | 0 | 0 | 0 | 114.8 | K1355 | K1355-S1357 WeakPolarHBondContact CE-OG 3.33Å; K1355-S1357 PolarHBondContact O-N 3.04Å |
| 1358 | N | 67.9 | Low | 83.8 | Confident | 98 Ų | 98 | 65.6 Ų | 65.6 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | -3.1 | -172.1 | -57.8 | 71 | 0 | 0 | 0 | 114 | K1355 F1360 | K1355-N1358 PolarHBondContact O-N 3.4Å; N1358-F1360 HydrophobicContact CB-CD2 3.88Å; N1358-F1360 VanDerWaalsContact O-CD2 3.32Å; N1358-F1360 WeakPolarHBondContact O-CD2 2.99Å; N1358-F1360 PolarHBondContact O-N 2.84Å |
| 1359 | N | 67.8 | Low | 83.9 | Confident | 115 Ų | 115 | 63 Ų | 63 | 62% | 0.615 | 32% | 0.316 | S | S | * | . | | | trans | 59.2 | -10.1 | -173.4 | -63.8 | -17.5 | 0 | 0 | 0 | 117.5 | T1354 K1355 | T1354-N1359 WeakPolarHBondContact CB-O 3.34Å; T1354-N1359 VanDerWaalsContact CG2-O 3.31Å; T1354-N1359 WeakPolarHBondContact CG2-O 3.34Å; K1355-N1359 PolarHBondContact O-N 2.96Å |
| 1360 | F | 67.2 | Low | 84 | Confident | 124 Ų | 124 | 63 Ų | 63 | 54% | 0.544 | 32% | 0.316 | S | S | . | . | | | trans | -55.3 | 150.3 | 168.2 | -75.8 | -91.3 | 0 | 0 | 0 | 112.4 | T1354 K1355 N1358 | T1354-F1360 CarbonylContact C-O 3.53Å; T1354-F1360 WeakPolarHBondContact CA-O 3.17Å; K1355-F1360 PolarHBondContact N-O 3.31Å; N1358-F1360 HydrophobicContact CB-CD2 3.88Å; N1358-F1360 VanDerWaalsContact O-CD2 3.32Å; N1358-F1360 WeakPolarHBondContact O-CD2 2.99Å; N1358-F1360 PolarHBondContact O-N 2.84Å |
| 1361 | C | 73.9 | Confident | 84 | Confident | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 149 | 172.2 | -154.8 | 0 | 0 | 0 | 0 | 111.7 | W1329 G1363 | W1329-C1361 WeakPolarHBondContact O-CB 3.08Å; C1361-G1363 VanDerWaalsContact C-N 3.27Å; C1361-G1363 PolarHBondContact SG-N 2.76Å |
| 1362 | T | 78.5 | Confident | 84.1 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 3 | 163.7 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | M1353 K1355 A1364 | M1353-T1362 VanDerWaalsContact CB-OG1 3.26Å; M1353-T1362 WeakPolarHBondContact CB-OG1 3.36Å; M1353-T1362 PolarHBondContact O-N 3.32Å; M1353-T1362 PolarHBondContact O-OG1 3.27Å; M1353-T1362 VanDerWaalsContact O-OG1 3.11Å; K1355-T1362 HydrophobicContact CB-CG2 3.94Å; T1362-A1364 VanDerWaalsContact C-N 3.3Å |
| 1363 | G | 85.4 | Confident | 84.3 | Confident | 10 Ų | 10 | 70 Ų | 70 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.9 | 22.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1324 I1325 C1361 | N1324-G1363 PolarHBondContact N-O 2.86Å; N1324-G1363 VanDerWaalsContact N-O 3.09Å; I1325-G1363 PolarHBondContact N-O 2.96Å; I1325-G1363 VanDerWaalsContact N-O 3.11Å; I1325-G1363 WeakPolarHBondContact O-CA 3.31Å; C1361-G1363 VanDerWaalsContact C-N 3.27Å; C1361-G1363 PolarHBondContact SG-N 2.76Å |
| 1364 | A | 90.9 | Very high | 84.6 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 162.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1321 I1322 T1323 I1325 M1353 T1362 | Y1321-A1364 HydrophobicContact CE2-CB 3.82Å; Y1321-A1364 WeakPolarHBondContact OH-CB 3.23Å; I1322-A1364 CarbonylContact O-C 3.48Å; I1322-A1364 WeakPolarHBondContact O-CA 3.35Å; I1322-A1364 WeakPolarHBondContact O-CB 3.45Å; T1323-A1364 HydrophobicContact CG2-CB 4.24Å; I1325-A1364 VanDerWaalsContact CD1-C 3.49Å; M1353-A1364 WeakPolarHBondContact CB-O 3.36Å; M1353-A1364 PolarHBondContact N-O 2.68Å; M1353-A1364 HydrophobicContact SD-CB 4.12Å; T1362-A1364 VanDerWaalsContact C-N 3.3Å |
| 1365 | G | 92.3 | Very high | 85 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 174.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1321 I1322 I1351 | Y1321-G1365 WeakPolarHBondContact CD2-O 3.38Å; I1322-G1365 PolarHBondContact N-O 3.37Å; I1322-G1365 PolarHBondContact O-N 3.22Å; I1351-G1365 CarbonylContact O-C 3.57Å; I1351-G1365 VanDerWaalsContact O-CA 3.25Å; I1351-G1365 WeakPolarHBondContact O-CA 3.49Å |
| 1366 | F | 94.3 | Very high | 85.9 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.5 | 175.7 | -68.1 | -76.2 | 0 | 0 | 0 | 111.1 | V1320 Y1321 A1350 I1351 M1353 A1401 | V1320-F1366 CarbonylContact O-C 3.59Å; V1320-F1366 VanDerWaalsContact O-CA 3.26Å; V1320-F1366 WeakPolarHBondContact O-CA 3.48Å; Y1321-F1366 HydrophobicContact CD2-CD1 4.01Å; Y1321-F1366 AromaticContact CD2-CE1 3.47Å; Y1321-F1366 HydrophobicContact CD2-CE1 3.47Å; Y1321-F1366 VanDerWaalsContact CD2-CE1 3.47Å; Y1321-F1366 HydrophobicContact CD2-CE2 4.39Å; Y1321-F1366 AromaticContact CD2-CZ 3.69Å; Y1321-F1366 HydrophobicContact CD2-CZ 3.69Å; Y1321-F1366 HydrophobicContact CE2-CE1 4.42Å; Y1321-F1366 HydrophobicContact CE2-CZ 4.21Å; Y1321-F1366 HydrophobicContact CG-CE1 4.09Å; A1350-F1366 CarbonylContact C-O 3.56Å; A1350-F1366 WeakPolarHBondContact CA-O 3.5Å; I1351-F1366 PolarHBondContact N-O 3.09Å; I1351-F1366 PolarHBondContact O-N 3.43Å; M1353-F1366 HydrophobicContact CE-CE2 4.25Å; M1353-F1366 HydrophobicContact CG-CD2 4.04Å; M1353-F1366 HydrophobicContact CG-CE2 3.99Å; M1353-F1366 HydrophobicContact SD-CD2 3.99Å; M1353-F1366 HydrophobicContact SD-CE2 3.39Å; M1353-F1366 WeakPolarHBondContact SD-CE2 3.17Å; M1353-F1366 HydrophobicContact SD-CZ 4.1Å; F1366-A1401 HydrophobicContact CD1-CB 3.88Å; F1366-A1401 HydrophobicContact CE1-CB 3.72Å |
| 1367 | V | 94.7 | Very high | 87 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120.9 | 167.1 | 170.4 | 0 | 0 | 0 | 0 | 108.3 | N1319 V1320 I1322 L1337 F1341 I1347 A1350 F1369 | N1319-V1367 PolarHBondContact OD1-O 2.81Å; V1320-V1367 WeakPolarHBondContact CA-O 3.21Å; V1320-V1367 VanDerWaalsContact CB-O 3.29Å; V1320-V1367 WeakPolarHBondContact CB-O 3.32Å; V1320-V1367 PolarHBondContact N-O 2.92Å; V1320-V1367 PolarHBondContact O-N 3.03Å; I1322-V1367 HydrophobicContact CD1-CB 4.05Å; I1322-V1367 HydrophobicContact CD1-CG2 3.56Å; L1337-V1367 HydrophobicContact CD2-CG2 3.8Å; L1337-V1367 HydrophobicContact CG-CG2 4.08Å; F1341-V1367 HydrophobicContact CB-CG1 4.05Å; F1341-V1367 HydrophobicContact CB-CG2 4.3Å; F1341-V1367 HydrophobicContact CD1-CB 4.09Å; F1341-V1367 HydrophobicContact CD1-CG1 4.12Å; F1341-V1367 HydrophobicContact CD1-CG2 4.16Å; F1341-V1367 HydrophobicContact CD2-CG2 4.34Å; F1341-V1367 HydrophobicContact CG-CB 4.37Å; F1341-V1367 HydrophobicContact CG-CG1 4.28Å; F1341-V1367 HydrophobicContact CG-CG2 4Å; I1347-V1367 HydrophobicContact CD1-CG1 3.96Å; I1347-V1367 HydrophobicContact CG1-CG1 3.88Å; I1347-V1367 HydrophobicContact CG2-CG1 3.95Å; A1350-V1367 HydrophobicContact CB-CG2 4.11Å; V1367-F1369 HydrophobicContact CB-CE2 4.47Å; V1367-F1369 HydrophobicContact CG1-CD2 4.05Å; V1367-F1369 HydrophobicContact CG1-CE2 3.62Å; V1367-F1369 HydrophobicContact CG1-CZ 3.92Å |
| 1368 | R | 94.8 | Very high | 88.1 | Confident | 105 Ų | 105 | 53.8 Ų | 53.8 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.5 | 172.4 | -171.6 | -179.6 | 175.7 | -177.8 | 0.8 | 109.6 | Q1318 N1319 A1348 T1349 | Q1318-R1368 HydrophobicContact CB-CG 4.18Å; Q1318-R1368 CarbonylContact O-C 3.56Å; Q1318-R1368 WeakPolarHBondContact O-CA 3.08Å; N1319-R1368 HydrophobicContact CB-CB 4.35Å; N1319-R1368 HydrophobicContact CB-CG 4.2Å; A1348-R1368 WeakPolarHBondContact CA-O 3.35Å; A1348-R1368 WeakPolarHBondContact CB-O 3.25Å; A1348-R1368 PolarHBondContact N-O 2.81Å; T1349-R1368 PolarHBondContact N-O 2.92Å; T1349-R1368 PolarHBondContact O-N 3.08Å; T1349-R1368 WeakPolarHBondContact OG1-CB 3.42Å |
| 1369 | F | 95.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 159.7 | 173.4 | -70.6 | -90.3 | 0 | 0 | 0 | 111.6 | Q1318 V1320 F1341 G1345 P1346 I1347 V1367 R1371 D1374 A1375 A1378 | Q1318-F1369 PolarHBondContact O-N 2.87Å; V1320-F1369 HydrophobicContact CG2-CD2 3.92Å; V1320-F1369 HydrophobicContact CG2-CE2 3.92Å; F1341-F1369 HydrophobicContact CB-CZ 4.03Å; F1341-F1369 HydrophobicContact CD1-CE2 4.14Å; F1341-F1369 AromaticContact CD1-CZ 3.97Å; F1341-F1369 HydrophobicContact CD1-CZ 3.97Å; G1345-F1369 WeakPolarHBondContact O-CE1 3.28Å; P1346-F1369 WeakPolarHBondContact O-CA 3.33Å; I1347-F1369 HydrophobicContact CG1-CD1 4.27Å; I1347-F1369 HydrophobicContact CG1-CE1 3.97Å; I1347-F1369 HydrophobicContact CG1-CZ 4.48Å; V1367-F1369 HydrophobicContact CB-CE2 4.47Å; V1367-F1369 HydrophobicContact CG1-CD2 4.05Å; V1367-F1369 HydrophobicContact CG1-CE2 3.62Å; V1367-F1369 HydrophobicContact CG1-CZ 3.92Å; F1369-R1371 VanDerWaalsContact C-N 3.3Å; F1369-R1371 WeakPolarHBondContact CB-O 3.47Å; F1369-D1374 HydrophobicContact CB-CB 4.09Å; F1369-D1374 HydrophobicContact CD1-CB 3.79Å; F1369-D1374 HydrophobicContact CG-CB 4.09Å; F1369-A1375 HydrophobicContact CB-CB 4.25Å; F1369-A1375 VanDerWaalsContact CD2-CA 3.5Å; F1369-A1375 HydrophobicContact CD2-CB 3.79Å; F1369-A1375 HydrophobicContact CG-CB 4.3Å; F1369-A1378 HydrophobicContact CE1-CB 4.38Å; F1369-A1378 HydrophobicContact CE2-CB 3.59Å; F1369-A1378 HydrophobicContact CZ-CB 3.43Å; F1369-A1378 VanDerWaalsContact CZ-CB 3.43Å |
| 1370 | V | 93.5 | Very high | 90.4 | Very high | 78 Ų | 78 | 46.6 Ų | 46.6 | 47% | 0.473 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -70.3 | -29.2 | 173.4 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | Q1318 P1346 A1348 | Q1318-V1370 PolarHBondContact NE2-O 2.96Å; P1346-V1370 HydrophobicContact CB-CB 4.33Å; P1346-V1370 HydrophobicContact CB-CG2 4.04Å; P1346-V1370 HydrophobicContact CG-CB 4.2Å; P1346-V1370 HydrophobicContact CG-CG2 4.45Å; P1346-V1370 PolarHBondContact O-N 3.28Å; A1348-V1370 HydrophobicContact CB-CG2 4.02Å |
| 1371 | R | 93.3 | Very high | 91.6 | Very high | 119 Ų | 119 | 41.7 Ų | 41.7 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -125.6 | 150.8 | -179.1 | -60.2 | -176.4 | -65.7 | -174.3 | 2.5 | 111.8 | F1369 D1374 A1375 | F1369-R1371 VanDerWaalsContact C-N 3.3Å; F1369-R1371 WeakPolarHBondContact CB-O 3.47Å; R1371-D1374 HydrophobicContact CB-CB 4.39Å; R1371-D1374 IonicContact CZ-OD1 2.89Å; R1371-D1374 IonicContact CZ-OD2 3.36Å; R1371-D1374 VanDerWaalsContact CZ-OD2 3.3Å; R1371-D1374 IonicContact NE-OD1 2.74Å; R1371-D1374 PolarHBondContact NE-OD1 3.23Å; R1371-D1374 IonicContact NE-OD2 3.34Å; R1371-D1374 PolarHBondContact NE-OD2 2.87Å; R1371-D1374 VanDerWaalsContact NH2-CG 3.29Å; R1371-D1374 IonicContact NH2-OD1 3.93Å; R1371-D1374 PolarHBondContact NH2-OD1 3.02Å; R1371-D1374 IonicContact NH2-OD2 2.8Å; R1371-D1374 PolarHBondContact NH2-OD2 2.85Å; R1371-D1374 PolarHBondContact O-N 3.43Å; R1371-A1375 PolarHBondContact O-N 3.38Å |
| 1372 | S | 93.5 | Very high | 92.3 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.4 | -33.3 | 178.1 | 25.5 | 0 | 0 | 0 | 0 | 113.3 | P1317 D1374 A1375 Q1376 | P1317-S1372 VanDerWaalsContact O-CA 3.26Å; P1317-S1372 WeakPolarHBondContact O-CA 3.45Å; P1317-S1372 WeakPolarHBondContact O-CB 3.42Å; S1372-D1374 VanDerWaalsContact C-N 3.26Å; S1372-D1374 PolarHBondContact O-N 3.49Å; S1372-A1375 PolarHBondContact O-N 2.91Å; S1372-Q1376 PolarHBondContact O-N 2.8Å; S1372-Q1376 VanDerWaalsContact O-N 3.1Å |
| 1373 | E | 95 | Very high | 92.8 | Very high | 106 Ų | 106 | 44.2 Ų | 44.2 | 50% | 0.495 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71 | -29.2 | -178.6 | -55.3 | 65.7 | -119.4 | 0 | 0 | 110.4 | R1377 | E1373-R1377 WeakPolarHBondContact O-CG 3.22Å; E1373-R1377 PolarHBondContact O-N 3.38Å; E1373-R1377 PolarHBondContact O-NH1 2.93Å; E1373-R1377 VanDerWaalsContact O-NH1 3.15Å |
| 1374 | D | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.6 | -41.9 | 177.2 | -60.4 | -14.8 | 0 | 0 | 0 | 111.1 | P1346 F1369 R1371 S1372 Q1376 R1377 A1378 | P1346-D1374 WeakPolarHBondContact CD-OD2 3.41Å; F1369-D1374 HydrophobicContact CB-CB 4.09Å; F1369-D1374 HydrophobicContact CD1-CB 3.79Å; F1369-D1374 HydrophobicContact CG-CB 4.09Å; R1371-D1374 HydrophobicContact CB-CB 4.39Å; R1371-D1374 IonicContact CZ-OD1 2.89Å; R1371-D1374 IonicContact CZ-OD2 3.36Å; R1371-D1374 VanDerWaalsContact CZ-OD2 3.3Å; R1371-D1374 IonicContact NE-OD1 2.74Å; R1371-D1374 PolarHBondContact NE-OD1 3.23Å; R1371-D1374 IonicContact NE-OD2 3.34Å; R1371-D1374 PolarHBondContact NE-OD2 2.87Å; R1371-D1374 VanDerWaalsContact NH2-CG 3.29Å; R1371-D1374 IonicContact NH2-OD1 3.93Å; R1371-D1374 PolarHBondContact NH2-OD1 3.02Å; R1371-D1374 IonicContact NH2-OD2 2.8Å; R1371-D1374 PolarHBondContact NH2-OD2 2.85Å; R1371-D1374 PolarHBondContact O-N 3.43Å; S1372-D1374 VanDerWaalsContact C-N 3.26Å; S1372-D1374 PolarHBondContact O-N 3.49Å; D1374-Q1376 VanDerWaalsContact C-N 3.34Å; D1374-Q1376 PolarHBondContact O-N 3.22Å; D1374-R1377 PolarHBondContact O-N 2.75Å; D1374-R1377 IonicContact OD1-CZ 3.97Å; D1374-R1377 IonicContact OD1-NH1 2.84Å; D1374-R1377 PolarHBondContact OD1-NH1 3.4Å; D1374-R1377 IonicContact OD1-NH2 2.66Å; D1374-R1377 PolarHBondContact OD1-NH2 3.39Å; D1374-A1378 WeakPolarHBondContact O-CB 3.36Å; D1374-A1378 PolarHBondContact O-N 3.35Å |
| 1375 | A | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | P1317 V1320 F1369 R1371 S1372 A1378 I1379 | P1317-A1375 WeakPolarHBondContact O-CB 3.26Å; V1320-A1375 HydrophobicContact CG2-CB 3.62Å; F1369-A1375 HydrophobicContact CB-CB 4.25Å; F1369-A1375 VanDerWaalsContact CD2-CA 3.5Å; F1369-A1375 HydrophobicContact CD2-CB 3.79Å; F1369-A1375 HydrophobicContact CG-CB 4.3Å; R1371-A1375 PolarHBondContact O-N 3.38Å; S1372-A1375 PolarHBondContact O-N 2.91Å; A1375-A1378 PolarHBondContact O-N 3.31Å; A1375-I1379 WeakPolarHBondContact O-CD1 3.46Å; A1375-I1379 WeakPolarHBondContact O-CG1 3.27Å; A1375-I1379 PolarHBondContact O-N 3.22Å |
| 1376 | Q | 93.9 | Very high | 91.8 | Very high | 81 Ų | 81 | 59 Ų | 59 | 38% | 0.379 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 176.7 | -168.4 | 62.1 | 39 | 0 | 0 | 111.9 | S1372 D1374 A1378 I1379 D1380 | S1372-Q1376 PolarHBondContact O-N 2.8Å; S1372-Q1376 VanDerWaalsContact O-N 3.1Å; D1374-Q1376 VanDerWaalsContact C-N 3.34Å; D1374-Q1376 PolarHBondContact O-N 3.22Å; Q1376-A1378 VanDerWaalsContact C-N 3.27Å; Q1376-A1378 PolarHBondContact O-N 3.32Å; Q1376-I1379 PolarHBondContact O-N 3.31Å; Q1376-D1380 PolarHBondContact NE2-OD2 3.29Å; Q1376-D1380 PolarHBondContact O-N 2.62Å |
| 1377 | R | 93.9 | Very high | 91.1 | Very high | 122 Ų | 122 | 59 Ų | 59 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.3 | -31.7 | 174 | -72.6 | -165.1 | -39.7 | -77.1 | 1.6 | 113 | Y1344 E1373 D1374 G1381 | Y1344-R1377 PolarHBondContact O-NH2 3.02Å; E1373-R1377 WeakPolarHBondContact O-CG 3.22Å; E1373-R1377 PolarHBondContact O-N 3.38Å; E1373-R1377 PolarHBondContact O-NH1 2.93Å; E1373-R1377 VanDerWaalsContact O-NH1 3.15Å; D1374-R1377 PolarHBondContact O-N 2.75Å; D1374-R1377 IonicContact OD1-CZ 3.97Å; D1374-R1377 IonicContact OD1-NH1 2.84Å; D1374-R1377 PolarHBondContact OD1-NH1 3.4Å; D1374-R1377 IonicContact OD1-NH2 2.66Å; D1374-R1377 PolarHBondContact OD1-NH2 3.39Å; R1377-G1381 VanDerWaalsContact O-CA 3.31Å; R1377-G1381 WeakPolarHBondContact O-CA 3.35Å; R1377-G1381 PolarHBondContact O-N 2.8Å |
| 1378 | A | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.7 | -42.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1341 Y1344 F1369 D1374 A1375 Q1376 I1382 | F1341-A1378 HydrophobicContact CD1-CB 4.3Å; Y1344-A1378 HydrophobicContact CD2-CB 4.07Å; Y1344-A1378 HydrophobicContact CG-CB 3.87Å; F1369-A1378 HydrophobicContact CE1-CB 4.38Å; F1369-A1378 HydrophobicContact CE2-CB 3.59Å; F1369-A1378 HydrophobicContact CZ-CB 3.43Å; F1369-A1378 VanDerWaalsContact CZ-CB 3.43Å; D1374-A1378 WeakPolarHBondContact O-CB 3.36Å; D1374-A1378 PolarHBondContact O-N 3.35Å; A1375-A1378 PolarHBondContact O-N 3.31Å; Q1376-A1378 VanDerWaalsContact C-N 3.27Å; Q1376-A1378 PolarHBondContact O-N 3.32Å; A1378-I1382 WeakPolarHBondContact O-CB 3.39Å; A1378-I1382 WeakPolarHBondContact O-CG1 3.38Å; A1378-I1382 PolarHBondContact O-N 2.86Å |
| 1379 | I | 93.1 | Very high | 89.8 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -50.5 | 176.8 | -75.7 | 162.9 | 0 | 0 | 0 | 111.2 | V1320 A1375 Q1376 R1383 V1398 L1400 | V1320-I1379 HydrophobicContact CG1-CD1 4.42Å; V1320-I1379 HydrophobicContact CG1-CG1 3.93Å; V1320-I1379 HydrophobicContact CG2-CD1 4.22Å; V1320-I1379 HydrophobicContact CG2-CG1 4.33Å; A1375-I1379 WeakPolarHBondContact O-CD1 3.46Å; A1375-I1379 WeakPolarHBondContact O-CG1 3.27Å; A1375-I1379 PolarHBondContact O-N 3.22Å; Q1376-I1379 PolarHBondContact O-N 3.31Å; I1379-R1383 VanDerWaalsContact O-CB 3.31Å; I1379-R1383 WeakPolarHBondContact O-CB 3.17Å; I1379-R1383 PolarHBondContact O-N 2.85Å; I1379-V1398 HydrophobicContact CB-CG1 4.43Å; I1379-V1398 HydrophobicContact CG1-CG1 3.82Å; I1379-L1400 HydrophobicContact CD1-CB 4.33Å; I1379-L1400 HydrophobicContact CD1-CD2 3.42Å; I1379-L1400 VanDerWaalsContact CD1-CD2 3.42Å; I1379-L1400 HydrophobicContact CD1-CG 3.56Å |
| 1380 | D | 92.5 | Very high | 88.6 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -79.1 | -36.2 | -176.2 | -60.3 | -36.3 | 0 | 0 | 0 | 111.1 | Q1376 R1383 N1384 | Q1376-D1380 PolarHBondContact NE2-OD2 3.29Å; Q1376-D1380 PolarHBondContact O-N 2.62Å; D1380-R1383 PolarHBondContact O-N 2.87Å; D1380-R1383 IonicContact OD1-CZ 2.68Å; D1380-R1383 IonicContact OD1-NH1 3.3Å; D1380-R1383 PolarHBondContact OD1-NH1 2.93Å; D1380-R1383 IonicContact OD1-NH2 3.2Å; D1380-N1384 WeakPolarHBondContact O-CB 3.16Å; D1380-N1384 PolarHBondContact O-N 2.83Å; D1380-N1384 PolarHBondContact O-ND2 2.84Å; D1380-N1384 PolarHBondContact O-OD1 2.93Å |
| 1381 | G | 90.6 | Very high | 87.6 | Confident | 22 Ų | 22 | 67.2 Ų | 67.2 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | R1377 N1384 A1385 | R1377-G1381 VanDerWaalsContact O-CA 3.31Å; R1377-G1381 WeakPolarHBondContact O-CA 3.35Å; R1377-G1381 PolarHBondContact O-N 2.8Å; G1381-N1384 PolarHBondContact O-N 2.84Å; G1381-A1385 VanDerWaalsContact O-CB 3.24Å; G1381-A1385 WeakPolarHBondContact O-CB 3.42Å; G1381-A1385 PolarHBondContact O-N 3.34Å |
| 1382 | I | 89.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -75 | -34.6 | 178.5 | -62.7 | 173.7 | 0 | 0 | 0 | 111.2 | F1341 Y1344 A1378 N1384 A1385 Q1386 I1387 L1396 V1398 | F1341-I1382 HydrophobicContact CD1-CD1 3.76Å; F1341-I1382 HydrophobicContact CD2-CD1 4.03Å; F1341-I1382 HydrophobicContact CE1-CD1 3.33Å; F1341-I1382 HydrophobicContact CE2-CD1 3.63Å; F1341-I1382 HydrophobicContact CG-CD1 4.08Å; F1341-I1382 HydrophobicContact CZ-CD1 3.24Å; Y1344-I1382 HydrophobicContact CD2-CD1 4.21Å; Y1344-I1382 HydrophobicContact CD2-CG1 4.21Å; Y1344-I1382 HydrophobicContact CE1-CG1 4.5Å; Y1344-I1382 HydrophobicContact CE2-CD1 3.7Å; Y1344-I1382 HydrophobicContact CE2-CG1 3.37Å; Y1344-I1382 WeakPolarHBondContact OH-CG1 3.19Å; A1378-I1382 WeakPolarHBondContact O-CB 3.39Å; A1378-I1382 WeakPolarHBondContact O-CG1 3.38Å; A1378-I1382 PolarHBondContact O-N 2.86Å; I1382-N1384 VanDerWaalsContact C-N 3.28Å; I1382-N1384 PolarHBondContact O-N 3.02Å; I1382-A1385 PolarHBondContact O-N 2.96Å; I1382-Q1386 PolarHBondContact O-N 3.13Å; I1382-I1387 HydrophobicContact CG1-CD1 4.18Å; I1382-I1387 HydrophobicContact CG2-CB 4.39Å; I1382-I1387 HydrophobicContact CG2-CD1 4.29Å; I1382-I1387 HydrophobicContact CG2-CG1 4.35Å; I1382-L1396 HydrophobicContact CG2-CB 3.96Å; I1382-V1398 HydrophobicContact CB-CG2 3.84Å; I1382-V1398 HydrophobicContact CD1-CG2 4.2Å; I1382-V1398 HydrophobicContact CG2-CG2 3.55Å |
| 1383 | R | 87.7 | Confident | 85.5 | Confident | 129 Ų | 129 | 67.4 Ų | 67.4 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 172.4 | -171.8 | -176.5 | -56.4 | 113.9 | 10.8 | 111.5 | I1379 D1380 V1398 | I1379-R1383 VanDerWaalsContact O-CB 3.31Å; I1379-R1383 WeakPolarHBondContact O-CB 3.17Å; I1379-R1383 PolarHBondContact O-N 2.85Å; D1380-R1383 PolarHBondContact O-N 2.87Å; D1380-R1383 IonicContact OD1-CZ 2.68Å; D1380-R1383 IonicContact OD1-NH1 3.3Å; D1380-R1383 PolarHBondContact OD1-NH1 2.93Å; D1380-R1383 IonicContact OD1-NH2 3.2Å; R1383-V1398 PolarHBondContact NH2-O 3.16Å |
| 1384 | N | 85.1 | Confident | 85 | Confident | 135 Ų | 135 | 63.4 Ų | 63.4 | 72% | 0.722 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -77 | -34.3 | 179.8 | -65.2 | -5.4 | 0 | 0 | 0 | 112.7 | D1380 G1381 I1382 Q1386 | D1380-N1384 WeakPolarHBondContact O-CB 3.16Å; D1380-N1384 PolarHBondContact O-N 2.83Å; D1380-N1384 PolarHBondContact O-ND2 2.84Å; D1380-N1384 PolarHBondContact O-OD1 2.93Å; G1381-N1384 PolarHBondContact O-N 2.84Å; I1382-N1384 VanDerWaalsContact C-N 3.28Å; I1382-N1384 PolarHBondContact O-N 3.02Å; N1384-Q1386 VanDerWaalsContact C-N 3.32Å |
| 1385 | A | 82.9 | Confident | 84.5 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 50% | 0.496 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -78.9 | -13.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1381 I1382 I1387 | G1381-A1385 VanDerWaalsContact O-CB 3.24Å; G1381-A1385 WeakPolarHBondContact O-CB 3.42Å; G1381-A1385 PolarHBondContact O-N 3.34Å; I1382-A1385 PolarHBondContact O-N 2.96Å; A1385-I1387 HydrophobicContact CB-CD1 4.28Å; A1385-I1387 HydrophobicContact CB-CG1 3.81Å; A1385-I1387 PolarHBondContact O-N 3.43Å; A1385-I1387 VanDerWaalsContact O-N 3.14Å |
| 1386 | Q | 80 | Confident | 84.3 | Confident | 129 Ų | 129 | 66 Ų | 66 | 60% | 0.603 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 39.3 | 176.5 | -161.7 | 174 | -36.9 | 0 | 0 | 113.8 | I1382 N1384 T1388 P1395 | I1382-Q1386 PolarHBondContact O-N 3.13Å; N1384-Q1386 VanDerWaalsContact C-N 3.32Å; Q1386-T1388 PolarHBondContact O-N 3.36Å; Q1386-P1395 HydrophobicContact CG-CB 3.59Å; Q1386-P1395 HydrophobicContact CG-CG 4.01Å |
| 1387 | I | 79.3 | Confident | 84 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | | | trans | -60.6 | 110.8 | -170.3 | -54.6 | 179.3 | 0 | 0 | 0 | 111 | I1340 I1382 A1385 L1396 | I1340-I1387 HydrophobicContact CG2-CD1 4.22Å; I1382-I1387 HydrophobicContact CG1-CD1 4.18Å; I1382-I1387 HydrophobicContact CG2-CB 4.39Å; I1382-I1387 HydrophobicContact CG2-CD1 4.29Å; I1382-I1387 HydrophobicContact CG2-CG1 4.35Å; A1385-I1387 HydrophobicContact CB-CD1 4.28Å; A1385-I1387 HydrophobicContact CB-CG1 3.81Å; A1385-I1387 PolarHBondContact O-N 3.43Å; A1385-I1387 VanDerWaalsContact O-N 3.14Å; I1387-L1396 HydrophobicContact CB-CD1 4.32Å; I1387-L1396 HydrophobicContact CG2-CD1 4.16Å; I1387-L1396 WeakPolarHBondContact O-CB 3.2Å; I1387-L1396 WeakPolarHBondContact O-CG 3.43Å; I1387-L1396 PolarHBondContact O-N 3.48Å |
| 1388 | T | 81.8 | Confident | 83.9 | Confident | 95 Ų | 95 | 60.6 Ų | 60.6 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | B | Isolated β-bridge | trans | -92.2 | 124 | 171.8 | 49.3 | 0 | 0 | 0 | 0 | 110.6 | Q1386 P1395 | Q1386-T1388 PolarHBondContact O-N 3.36Å; T1388-P1395 HydrophobicContact CG2-CB 4.04Å |
| 1389 | L | 81.6 | Confident | 83.8 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 146.2 | 169.1 | -77.5 | 173.6 | 0 | 0 | 0 | 111.3 | P1326 W1329 I1340 N1391 G1392 L1396 | P1326-L1389 VanDerWaalsContact CD-CD1 3.48Å; P1326-L1389 HydrophobicContact CG-CB 3.71Å; P1326-L1389 HydrophobicContact CG-CD1 4.2Å; W1329-L1389 HydrophobicContact CE3-CD1 4.47Å; W1329-L1389 HydrophobicContact CH2-CD1 3.6Å; W1329-L1389 HydrophobicContact CH2-CD2 3.89Å; W1329-L1389 HydrophobicContact CH2-CG 4.42Å; W1329-L1389 HydrophobicContact CZ2-CD1 3.7Å; W1329-L1389 HydrophobicContact CZ2-CD2 3.65Å; W1329-L1389 HydrophobicContact CZ2-CG 4.29Å; W1329-L1389 HydrophobicContact CZ3-CD1 4Å; I1340-L1389 HydrophobicContact CD1-CD1 4.47Å; I1340-L1389 HydrophobicContact CD1-CD2 3.75Å; L1389-N1391 PolarHBondContact O-N 3.19Å; L1389-G1392 WeakPolarHBondContact O-CA 3.38Å; L1389-G1392 PolarHBondContact O-N 2.71Å; L1389-L1396 HydrophobicContact CD1-CD1 4.12Å; L1389-L1396 HydrophobicContact CD1-CD2 3.92Å; L1389-L1396 HydrophobicContact CD1-CG 4.26Å; L1389-L1396 HydrophobicContact CG-CD1 4.17Å; L1389-L1396 HydrophobicContact CG-CG 4.37Å |
| 1390 | E | 69.4 | Low | 83.8 | Confident | 142 Ų | 142 | 67 Ų | 67 | 66% | 0.664 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 131.2 | 171.1 | -67.6 | -174.7 | -166 | 0 | 0 | 110.9 | P1326 G1392 | P1326-E1390 WeakPolarHBondContact CG-O 3.32Å; E1390-G1392 PolarHBondContact O-N 3.4Å |
| 1391 | N | 73.5 | Confident | 83.7 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 12.8 | -170.7 | -48.2 | -80.9 | 0 | 0 | 0 | 114.6 | I588 P1326 L1389 | I588-N1391 WeakPolarHBondContact CD1-OD1 3.34Å; P1326-N1391 HydrophobicContact CB-CB 4.28Å; L1389-N1391 PolarHBondContact O-N 3.19Å |
| 1392 | G | 68.4 | Low | 83.6 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 25% | 0.247 | 35% | 0.353 | C | S | . | . | | | trans | -70.9 | 154.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1389 E1390 G1394 | L1389-G1392 WeakPolarHBondContact O-CA 3.38Å; L1389-G1392 PolarHBondContact O-N 2.71Å; E1390-G1392 PolarHBondContact O-N 3.4Å; G1392-G1394 PolarHBondContact O-N 3.27Å |
| 1393 | K | 74.2 | Confident | 83.4 | Confident | 141 Ų | 141 | 72.5 Ų | 72.5 | 61% | 0.613 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -80 | 3.6 | 179.5 | -67.3 | -175.4 | -179.5 | 175.8 | 0 | 114.1 | E1327 | E1327-K1393 WeakPolarHBondContact OE1-CE 3.32Å; E1327-K1393 IonicContact OE1-NZ 3.81Å; E1327-K1393 PolarHBondContact OE1-NZ 2.99Å; E1327-K1393 IonicContact OE2-NZ 2.75Å |
| 1394 | G | 83.4 | Confident | 82.8 | Confident | 23 Ų | 23 | 74.8 Ų | 74.8 | 24% | 0.237 | 39% | 0.389 | C | S | . | . | S | Bend | trans | 156.8 | -170.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110 | G1392 | G1392-G1394 PolarHBondContact O-N 3.27Š|
| 1395 | P | 85.8 | Confident | 81.7 | Confident | 49 Ų | 49 | 75.6 Ų | 75.6 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -64.4 | 148.7 | 171 | 29 | -34.9 | 0 | 0 | 0 | 110.9 | N1324 Q1386 T1388 E1397 | N1324-P1395 WeakPolarHBondContact CB-O 3.37Å; N1324-P1395 PolarHBondContact ND2-O 2.93Å; Q1386-P1395 HydrophobicContact CG-CB 3.59Å; Q1386-P1395 HydrophobicContact CG-CG 4.01Å; T1388-P1395 HydrophobicContact CG2-CB 4.04Å; P1395-E1397 PolarHBondContact O-N 3.36Å |
| 1396 | L | 88.8 | Confident | 80.1 | Confident | 6 Ų | 6 | 77.2 Ų | 77.2 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 120.4 | 172.9 | -76.3 | 173.6 | 0 | 0 | 0 | 109.9 | I1322 I1325 I1340 I1382 I1387 L1389 V1398 | I1322-L1396 HydrophobicContact CG2-CD2 3.85Å; I1325-L1396 HydrophobicContact CG1-CD2 4.09Å; I1340-L1396 HydrophobicContact CG2-CD1 4.25Å; I1382-L1396 HydrophobicContact CG2-CB 3.96Å; I1387-L1396 HydrophobicContact CB-CD1 4.32Å; I1387-L1396 HydrophobicContact CG2-CD1 4.16Å; I1387-L1396 WeakPolarHBondContact O-CB 3.2Å; I1387-L1396 WeakPolarHBondContact O-CG 3.43Å; I1387-L1396 PolarHBondContact O-N 3.48Å; L1389-L1396 HydrophobicContact CD1-CD1 4.12Å; L1389-L1396 HydrophobicContact CD1-CD2 3.92Å; L1389-L1396 HydrophobicContact CD1-CG 4.26Å; L1389-L1396 HydrophobicContact CG-CD1 4.17Å; L1389-L1396 HydrophobicContact CG-CG 4.37Å; L1396-V1398 HydrophobicContact CB-CG2 4.5Å |
| 1397 | E | 89.1 | Confident | 78.5 | Confident | 86 Ų | 86 | 75.5 Ų | 75.5 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 132.3 | 173.9 | -174.3 | -166.7 | -142.8 | 0 | 0 | 109 | I1322 T1323 P1395 K1399 | I1322-E1397 WeakPolarHBondContact CA-O 3.16Å; T1323-E1397 PolarHBondContact N-O 3.16Å; T1323-E1397 PolarHBondContact O-N 3.04Å; T1323-E1397 VanDerWaalsContact O-N 3.07Å; T1323-E1397 WeakPolarHBondContact OG1-CB 3.13Å; T1323-E1397 PolarHBondContact OG1-O 3.27Å; T1323-E1397 PolarHBondContact OG1-OE2 3.26Å; T1323-E1397 VanDerWaalsContact OG1-OE2 3.07Å; P1395-E1397 PolarHBondContact O-N 3.36Å; E1397-K1399 VanDerWaalsContact CD-CE 3.41Å; E1397-K1399 WeakPolarHBondContact OE1-CE 3.35Å; E1397-K1399 IonicContact OE1-NZ 2.76Å; E1397-K1399 PolarHBondContact OE1-NZ 3.21Å; E1397-K1399 IonicContact OE2-NZ 3.59Å; E1397-K1399 PolarHBondContact OE2-NZ 2.79Å |
| 1398 | V | 91.9 | Very high | 77 | Confident | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.012 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 127.8 | -166.6 | -168.4 | 0 | 0 | 0 | 0 | 110.2 | V1320 F1341 I1379 I1382 R1383 L1396 | V1320-V1398 HydrophobicContact CG1-CG1 3.19Å; F1341-V1398 HydrophobicContact CE1-CG1 3.95Å; F1341-V1398 HydrophobicContact CE1-CG2 4.48Å; F1341-V1398 HydrophobicContact CZ-CG1 4.33Å; F1341-V1398 HydrophobicContact CZ-CG2 4.1Å; I1379-V1398 HydrophobicContact CB-CG1 4.43Å; I1379-V1398 HydrophobicContact CG1-CG1 3.82Å; I1382-V1398 HydrophobicContact CB-CG2 3.84Å; I1382-V1398 HydrophobicContact CD1-CG2 4.2Å; I1382-V1398 HydrophobicContact CG2-CG2 3.55Å; R1383-V1398 PolarHBondContact NH2-O 3.16Å; L1396-V1398 HydrophobicContact CB-CG2 4.5Å |
| 1399 | K | 91.6 | Very high | 74.8 | Confident | 95 Ų | 95 | 82.6 Ų | 82.6 | 41% | 0.413 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 156 | -172.6 | -71 | 167.1 | -179.8 | 157.4 | 0 | 110.1 | V1320 Y1321 E1397 A1401 | V1320-K1399 CarbonylContact C-O 3.6Å; V1320-K1399 WeakPolarHBondContact CA-O 3.48Å; V1320-K1399 WeakPolarHBondContact CG1-O 3.48Å; Y1321-K1399 PolarHBondContact N-O 2.83Å; Y1321-K1399 PolarHBondContact O-N 2.67Å; E1397-K1399 VanDerWaalsContact CD-CE 3.41Å; E1397-K1399 WeakPolarHBondContact OE1-CE 3.35Å; E1397-K1399 IonicContact OE1-NZ 2.76Å; E1397-K1399 PolarHBondContact OE1-NZ 3.21Å; E1397-K1399 IonicContact OE2-NZ 3.59Å; E1397-K1399 PolarHBondContact OE2-NZ 2.79Å; K1399-A1401 PolarHBondContact O-N 3.42Å |
| 1400 | L | 92.8 | Very high | 72.6 | Confident | 47 Ų | 47 | 88 Ų | 88 | 25% | 0.246 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 136.9 | 166 | -67.8 | 173.6 | 0 | 0 | 0 | 109.2 | K1315 I1379 | K1315-L1400 HydrophobicContact CB-CB 4.02Å; K1315-L1400 HydrophobicContact CB-CD1 4.32Å; K1315-L1400 HydrophobicContact CD-CB 4.46Å; I1379-L1400 HydrophobicContact CD1-CB 4.33Å; I1379-L1400 HydrophobicContact CD1-CD2 3.42Å; I1379-L1400 VanDerWaalsContact CD1-CD2 3.42Å; I1379-L1400 HydrophobicContact CD1-CG 3.56Å |
| 1401 | A | 90.1 | Very high | 70.7 | Confident | 1 Ų | 1 | 86.5 Ų | 86.5 | 1% | 0.008 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 148.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K1315 D1316 N1319 F1366 K1399 | K1315-A1401 CarbonylContact C-O 3.47Å; K1315-A1401 WeakPolarHBondContact CA-O 3.38Å; D1316-A1401 PolarHBondContact N-O 3.29Å; N1319-A1401 HydrophobicContact CB-CB 4.01Å; N1319-A1401 WeakPolarHBondContact O-CB 3.41Å; N1319-A1401 PolarHBondContact O-N 3.14Å; F1366-A1401 HydrophobicContact CD1-CB 3.88Å; F1366-A1401 HydrophobicContact CE1-CB 3.72Å; K1399-A1401 PolarHBondContact O-N 3.42Å |
| 1402 | D | 89 | Confident | 68.5 | Low | 84 Ų | 84 | 87.5 Ų | 87.5 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 136.9 | 169.6 | -73 | -4.1 | 0 | 0 | 0 | 110.2 | S1313 Q1404 | S1313-D1402 WeakPolarHBondContact CB-OD1 3.49Å; S1313-D1402 WeakPolarHBondContact CB-OD2 3.36Å; S1313-D1402 PolarHBondContact OG-OD2 3.42Å; D1402-Q1404 PolarHBondContact O-N 3.02Å; D1402-Q1404 VanDerWaalsContact O-N 3.11Å |
| 1403 | R | 84.2 | Confident | 66.7 | Low | 107 Ų | 107 | 91.9 Ų | 91.9 | 40% | 0.404 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 117.4 | 168.1 | -79.7 | -178.9 | 172.6 | 174 | 5.5 | 108.5 | E1314 D1316 K1405 | E1314-R1403 WeakPolarHBondContact O-CB 3.41Å; E1314-R1403 PolarHBondContact O-N 3.22Å; E1314-R1403 IonicContact OE1-CZ 2.77Å; E1314-R1403 IonicContact OE1-NH1 3.71Å; E1314-R1403 PolarHBondContact OE1-NH1 3.33Å; E1314-R1403 WeakPolarHBondContact OE2-CD 3.25Å; E1314-R1403 IonicContact OE2-CZ 2.96Å; E1314-R1403 IonicContact OE2-NE 3.95Å; E1314-R1403 IonicContact OE2-NH1 2.65Å; E1314-R1403 PolarHBondContact OE2-NH1 3.07Å; D1316-R1403 HydrophobicContact CB-CG 3.73Å; R1403-K1405 PolarHBondContact O-N 2.77Å |
| 1404 | Q | 75 | Confident | 64.6 | Low | 178 Ų | 178 | 90.7 Ų | 90.7 | 83% | 0.832 | 50% | 0.496 | S | S | * | . | | | trans | -60.7 | 103.7 | 164 | -66.9 | -175.2 | 2.5 | 0 | 0 | 108.1 | D1402 | D1402-Q1404 PolarHBondContact O-N 3.02Å; D1402-Q1404 VanDerWaalsContact O-N 3.11Å |
| 1405 | K | 62.3 | Low | 61.9 | Low | 151 Ų | 151 | 98.6 Ų | 98.6 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | | | trans | -59.4 | 136.8 | 165.4 | -75.3 | -167.4 | 171.3 | -168.5 | 0 | 108.3 | R1403 S1407 | R1403-K1405 PolarHBondContact O-N 2.77Å; K1405-S1407 PolarHBondContact O-N 3.23Å; K1405-S1407 VanDerWaalsContact O-N 3.14Å |
| 1406 | P | 50.1 | Low | 59.1 | Low | 95 Ų | 95 | 100.5 Ų | 100.5 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | | | trans | -53.9 | 125.8 | 165.4 | 25.7 | -32.9 | 0 | 0 | 0 | 107.5 | D1408 | P1406-D1408 VanDerWaalsContact C-N 3.27Å; P1406-D1408 PolarHBondContact O-N 2.69Å |
| 1407 | S | 46.6 | Very low | 56.1 | Low | 92 Ų | 92 | 106.5 Ų | 106.5 | 64% | 0.643 | 57% | 0.566 | S | S | * | * | | | trans | -79.2 | 83.2 | -178 | -43.3 | 0 | 0 | 0 | 0 | 108.5 | K1405 D1409 | K1405-S1407 PolarHBondContact O-N 3.23Å; K1405-S1407 VanDerWaalsContact O-N 3.14Å; S1407-D1409 PolarHBondContact O-N 3.39Å |
| 1408 | D | 46.9 | Very low | 53.2 | Low | 141 Ų | 141 | 106.6 Ų | 106.6 | 75% | 0.754 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -74.4 | 42 | 178.9 | -57.5 | -32.6 | 0 | 0 | 0 | 111.9 | P1406 | P1406-D1408 VanDerWaalsContact C-N 3.27Å; P1406-D1408 PolarHBondContact O-N 2.69Å |
| 1409 | D | 36.5 | Very low | 50.2 | Low | 152 Ų | 152 | 110.6 Ų | 110.6 | 81% | 0.813 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -170.4 | 86.1 | 165.7 | -111.3 | -28.6 | 0 | 0 | 0 | 110.9 | S1407 | S1407-D1409 PolarHBondContact O-N 3.39Š|
| 1410 | Q | 35.7 | Very low | 47.1 | Very low | 143 Ų | 143 | 115 Ų | 115 | 67% | 0.668 | 62% | 0.623 | S | S | * | * | | | trans | -168.8 | 99.9 | 161.1 | -109.8 | -73.9 | -40.5 | 0 | 0 | 109.4 | S1412 | Q1410-S1412 PolarHBondContact O-N 3.02Š|
| 1411 | P | 29.1 | Very low | 43.9 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | | | trans | -71.5 | 100.5 | 174.8 | 28.4 | -32.8 | 0 | 0 | 0 | 110.8 | | |
| 1412 | S | 26.4 | Very low | 40.9 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | | | trans | 48.5 | 85.6 | 156.7 | 60.8 | 0 | 0 | 0 | 0 | 118.3 | Q1410 | Q1410-S1412 PolarHBondContact O-N 3.02Š|
| 1413 | T | 30.4 | Very low | 38 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -130.6 | 100.5 | 134.7 | 47.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1414 | T | 30.7 | Very low | 35.2 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | | | trans | 68.8 | 55 | 167.7 | 66.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1415 | K | 26.7 | Very low | 33.5 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | | | trans | -92.1 | 150.1 | 131.5 | -75 | 179.6 | -179.3 | 171.8 | 0 | 107.4 | | |
| 1416 | A | 27.8 | Very low | 32.4 | Very low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | | | cis | -158.6 | 159.3 | -18.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1417 | R | 25.2 | Very low | 31.3 | Very low | 131 Ų | 131 | 132 Ų | 132 | 49% | 0.494 | 73% | 0.726 | S | S | . | * | | | trans | -146.3 | 127.7 | 164.7 | 179.7 | -174.5 | -90.9 | 178.5 | -4.5 | 106.3 | L962 | L962-R1417 HydrophobicContact CD2-CB 4.24Å; L962-R1417 HydrophobicContact CD2-CG 4.22Å; L962-R1417 HydrophobicContact CG-CG 4.42Å |
| 1418 | S | 27.9 | Very low | 30.5 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | | | cis | -139.1 | 172.4 | 4.8 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1419 | S | 29.4 | Very low | 29.6 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | | | trans | -137.8 | 143.4 | 158.5 | -83.7 | 0 | 0 | 0 | 0 | 109.1 | F963 | F963-S1419 WeakPolarHBondContact CE1-O 3.06Š|
| 1420 | K | 25.8 | Very low | 29.3 | Very low | 186 Ų | 186 | 126 Ų | 126 | 81% | 0.809 | 71% | 0.705 | S | S | * | * | | | trans | -113 | 123.8 | -163.6 | 177.7 | -176.5 | -179.6 | 180 | 0 | 111.3 | | |
| 1421 | R | 25.9 | Very low | 28.8 | Very low | 199 Ų | 199 | 123.5 Ų | 123.5 | 75% | 0.751 | 70% | 0.703 | S | S | * | * | | | trans | -175.1 | 132.6 | 146.5 | -110.2 | 164.8 | -81.5 | -164.2 | -2.3 | 112.2 | | |
| 1422 | N | 26.7 | Very low | 28.9 | Very low | 143 Ų | 143 | 123.3 Ų | 123.3 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | | | | 34.9 | 139.2 | 123.4 | -48.9 | 24.4 | 0 | 0 | 0 | 118.2 | | |
| 1423 | S | 29.3 | Very low | 28.9 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 84% | 0.839 | 69% | 0.688 | S | S | * | * | | | cis | -152.2 | -174.7 | 13 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1424 | E | 26 | Very low | 29 | Very low | 139 Ų | 139 | 122.7 Ų | 122.7 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | | | trans | -82.1 | 166.9 | -168.3 | -82.2 | 167 | 152.8 | 0 | 0 | 116.5 | F972 | F972-E1424 WeakPolarHBondContact CE1-OE1 3.36Å; F972-E1424 WeakPolarHBondContact CZ-OE1 3.37Å |
| 1425 | P | 39.3 | Very low | 29.1 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 75% | 0.747 | 67% | 0.674 | S | S | * | * | | | trans | -87.8 | -144.2 | 173.6 | 43.6 | -40.6 | 0 | 0 | 0 | 109 | | |
| 1426 | P | 37.3 | Very low | 29.4 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 68% | 0.682 | 67% | 0.672 | S | S | * | * | | | cis | -133.4 | -174 | -14.7 | 41.4 | -24.4 | 0 | 0 | 0 | 114.4 | | |
| 1427 | E | 28.6 | Very low | 29.4 | Very low | 199 Ų | 199 | 117.3 Ų | 117.3 | 93% | 0.93 | 66% | 0.663 | S | S | * | * | | | trans | -132 | 149.5 | 141.8 | -76.6 | -162.8 | 162.7 | 0 | 0 | 111.7 | | |
| 1428 | S | 28.1 | Very low | 29.5 | Very low | 108 Ų | 108 | 118.6 Ų | 118.6 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | | | trans | -122.3 | 162.3 | -175.1 | 48.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1429 | S | 28.4 | Very low | 29.4 | Very low | 94 Ų | 94 | 123.3 Ų | 123.3 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | | | cis | -172.5 | -168.8 | 4 | 40.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1430 | T | 29.7 | Very low | 29.5 | Very low | 58 Ų | 58 | 126.8 Ų | 126.8 | 36% | 0.356 | 70% | 0.698 | S | S | . | * | | | trans | 77.9 | 110.3 | 155.9 | -38.1 | 0 | 0 | 0 | 0 | 114.2 | S992 | S992-T1430 VanDerWaalsContact CB-CG2 3.45Å; S992-T1430 WeakPolarHBondContact CB-OG1 3.17Å; S992-T1430 WeakPolarHBondContact OG-CG2 3.41Å; S992-T1430 PolarHBondContact OG-OG1 3.03Å |
| 1431 | S | 26.5 | Very low | 29.8 | Very low | 91 Ų | 91 | 123.1 Ų | 123.1 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | | | cis | 74.3 | 152.2 | 44.7 | 97.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1432 | T | 30.3 | Very low | 29.9 | Very low | 108 Ų | 108 | 117.6 Ų | 117.6 | 66% | 0.663 | 69% | 0.688 | S | S | * | * | | | cis | -157.4 | 169.8 | -1.6 | -11 | 0 | 0 | 0 | 0 | 106.5 | | |
| 1433 | S | 27.6 | Very low | 29.9 | Very low | 72 Ų | 72 | 122.1 Ų | 122.1 | 50% | 0.503 | 70% | 0.695 | S | S | . | * | | | cis | -164 | -175.5 | -0.1 | -152.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1434 | L | 31.1 | Very low | 29.9 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 73% | 0.728 | 70% | 0.695 | S | S | * | * | | | trans | 119.7 | 119.4 | 154.1 | -68.4 | 170.5 | 0 | 0 | 0 | 118.2 | E921 | E921-L1434 VanDerWaalsContact CD-CA 3.41Å; E921-L1434 WeakPolarHBondContact OE1-CA 3.16Å; E921-L1434 PolarHBondContact OE1-N 3.3Å; E921-L1434 WeakPolarHBondContact OE2-CA 3.03Å |
| 1435 | M | 33.3 | Very low | 30.4 | Very low | 85 Ų | 85 | 126.4 Ų | 126.4 | 42% | 0.419 | 71% | 0.706 | S | S | . | * | | | trans | -86.9 | 131 | -173.7 | -102.5 | -174.4 | -177.9 | 0 | 0 | 111.9 | K919 E921 | K919-M1435 HydrophobicContact CB-CE 3.72Å; K919-M1435 HydrophobicContact CD-CE 4.29Å; K919-M1435 HydrophobicContact CD-CG 3.98Å; K919-M1435 HydrophobicContact CG-CE 3.78Å; K919-M1435 HydrophobicContact CG-CG 4.17Å; E921-M1435 HydrophobicContact CB-CE 3.99Å; E921-M1435 HydrophobicContact CB-CG 3.88Å; E921-M1435 HydrophobicContact CB-SD 3.86Å; E921-M1435 HydrophobicContact CG-CG 4.38Å; E921-M1435 PolarHBondContact OE1-N 3.38Å; E921-M1435 WeakPolarHBondContact OE2-CB 3.35Å; E921-M1435 PolarHBondContact OE2-N 3.23Å |
| 1436 | N | 33.2 | Very low | 29.8 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | | | | -135.7 | 161.5 | 126.6 | -105.7 | -39.2 | 0 | 0 | 0 | 109.8 | K919 | K919-N1436 PolarHBondContact NZ-O 3.25Š|
| 1437 | G | 28.4 | Very low | 29.4 | Very low | 52 Ų | 52 | 130.8 Ų | 130.8 | 54% | 0.536 | 71% | 0.705 | S | S | . | * | | | trans | -102.4 | 153.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1438 | N | 26.6 | Very low | 29.5 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 84% | 0.84 | 70% | 0.697 | S | S | * | * | | | trans | 75.5 | 143.8 | 161.6 | -50.2 | -9.4 | 0 | 0 | 0 | 117.4 | | |
| 1439 | E | 27 | Very low | 29.6 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 70% | 0.704 | S | S | * | * | | | trans | 60.9 | 142.8 | 178.5 | -71.2 | 148.9 | -142.4 | 0 | 0 | 115.1 | | |
| 1440 | E | 30.5 | Very low | 29.6 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | | | cis | -143.9 | -164.6 | 9 | -141.9 | -146.7 | 109.8 | 0 | 0 | 113.5 | | |
| 1441 | T | 32 | Very low | 29.4 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 67% | 0.669 | 70% | 0.7 | S | S | * | * | | | trans | -49.8 | 127.9 | -171.5 | 48.3 | 0 | 0 | 0 | 0 | 119 | | |
| 1442 | A | 28.2 | Very low | 29.5 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 69% | 0.686 | 71% | 0.71 | S | S | * | * | | | | 54.5 | 128.1 | 118.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1443 | R | 27.2 | Very low | 29.3 | Very low | 239 Ų | 239 | 138.6 Ų | 138.6 | 90% | 0.902 | 71% | 0.709 | S | S | * | * | | | trans | 80.8 | 120.2 | 147.6 | -64.6 | -179.5 | -172.5 | -157.4 | 5.3 | 121.3 | | |
| 1444 | Y | 28.3 | Very low | 29.5 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | | | trans | -46.9 | 139.5 | 143.3 | -66.5 | -100.4 | 0 | 0 | 0 | 113.4 | | |
| 1445 | P | 36 | Very low | 29.9 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 89% | 0.89 | 73% | 0.733 | S | S | * | * | | | trans | -78.4 | 117.8 | 149.8 | 30.9 | -28.9 | 0 | 0 | 0 | 109.8 | | |
| 1446 | R | 26.5 | Very low | 29.9 | Very low | 212 Ų | 212 | 145.6 Ų | 145.6 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | | | trans | -111.7 | 136.3 | -176.4 | -131.2 | -168.5 | -176.4 | 173 | 0.6 | 110.3 | | |
| 1447 | T | 29.8 | Very low | 29.7 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 61% | 0.613 | 75% | 0.745 | S | S | * | * | | | trans | 61 | 149.5 | 155.1 | 65.8 | 0 | 0 | 0 | 0 | 120.3 | Q1450 | T1447-Q1450 PolarHBondContact O-NE2 3.36Å; T1447-Q1450 PolarHBondContact OG1-NE2 3.22Å |
| 1448 | R | 30.6 | Very low | 29.8 | Very low | 200 Ų | 200 | 148.4 Ų | 148.4 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | S | Bend | | -146.6 | 147.8 | 124.6 | -107.6 | -175.1 | 169.9 | 156.3 | 5.1 | 108.3 | Q1450 | R1448-Q1450 HydrophobicContact CG-CB 4.15Å; R1448-Q1450 HydrophobicContact CG-CG 3.86Å; R1448-Q1450 VanDerWaalsContact CG-OE1 3.32Å; R1448-Q1450 VanDerWaalsContact CZ-OE1 3.31Å; R1448-Q1450 VanDerWaalsContact NH2-OE1 3.1Å |
| 1449 | K | 30 | Very low | 29.8 | Very low | 207 Ų | 207 | 147.5 Ų | 147.5 | 90% | 0.9 | 75% | 0.745 | S | S | * | * | S | Bend | cis | -125.8 | 172.8 | 11.1 | -61.7 | 178.7 | -179.7 | 179.6 | 0 | 113.1 | | |
| 1450 | Q | 28.4 | Very low | 29.7 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 42% | 0.416 | 74% | 0.741 | S | S | . | * | | | | -176.3 | 167.4 | -87.1 | -104.5 | -168.5 | 4.4 | 0 | 0 | 109.8 | T1447 R1448 | T1447-Q1450 PolarHBondContact O-NE2 3.36Å; T1447-Q1450 PolarHBondContact OG1-NE2 3.22Å; R1448-Q1450 HydrophobicContact CG-CB 4.15Å; R1448-Q1450 HydrophobicContact CG-CG 3.86Å; R1448-Q1450 VanDerWaalsContact CG-OE1 3.32Å; R1448-Q1450 VanDerWaalsContact CZ-OE1 3.31Å; R1448-Q1450 VanDerWaalsContact NH2-OE1 3.1Å |
| 1451 | S | 25.1 | Very low | 29.4 | Very low | 74 Ų | 74 | 145.7 Ų | 145.7 | 52% | 0.517 | 74% | 0.74 | S | S | . | * | | | trans | 16.8 | 112.3 | 153 | 62.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1452 | D | 30.5 | Very low | 29 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | | | | -150.2 | 145.8 | 113.9 | -88.7 | -36 | 0 | 0 | 0 | 109.4 | | |
| 1453 | C | 25.9 | Very low | 28.9 | Very low | 94 Ų | 94 | 147.3 Ų | 147.3 | 64% | 0.635 | 74% | 0.74 | S | S | * | * | | | cis | -165.6 | -174.4 | -32.2 | -125.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1454 | L | 30.5 | Very low | 28.8 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | | | trans | 67.8 | 105.8 | 166.1 | -47.3 | -175.8 | 0 | 0 | 0 | 118.3 | | |
| 1455 | L | 39.5 | Very low | 28.5 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 91% | 0.906 | 73% | 0.725 | S | S | * | * | | | trans | -86.3 | 156.8 | 133.7 | -71.2 | 171.1 | 0 | 0 | 0 | 108.3 | | |
| 1456 | P | 33.5 | Very low | 28 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 71% | 0.714 | 72% | 0.716 | S | S | * | * | | | trans | -131.4 | 125.1 | 142.1 | 34.2 | -22 | 0 | 0 | 0 | 113.1 | | |
| 1457 | N | 28.7 | Very low | 28.3 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | | | trans | 57.3 | 139.2 | 134.4 | -78.4 | 50.5 | 0 | 0 | 0 | 124.3 | | |
| 1458 | D | 31.9 | Very low | 28.1 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | | | trans | 68.6 | 96.7 | 138.1 | -64.9 | -43.5 | 0 | 0 | 0 | 121.9 | | |
| 1459 | N | 25.1 | Very low | 28 | Very low | 139 Ų | 139 | 132 Ų | 132 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | | | | 63.4 | 137.8 | 108.8 | -80.4 | -49.8 | 0 | 0 | 0 | 121.8 | | |
| 1460 | Q | 25 | Very low | 28 | Very low | 168 Ų | 168 | 129 Ų | 129 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | | | trans | 80.6 | 155.1 | 154.1 | -64.7 | -83.5 | 10.9 | 0 | 0 | 119.8 | | |
| 1461 | L | 25.3 | Very low | 28.1 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | trans | 63.9 | 104.8 | 164.3 | -93.5 | 71.2 | 0 | 0 | 0 | 121.1 | | |
| 1462 | S | 24.4 | Very low | 28.4 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | | | | 47.7 | 139.3 | 117.6 | 70.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1463 | N | 24.4 | Very low | 28.2 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | | | trans | 69.7 | 121.9 | 143.5 | -67.6 | -15.2 | 0 | 0 | 0 | 120.7 | | |
| 1464 | H | 25.2 | Very low | 28.4 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 73% | 0.731 | 74% | 0.738 | S | S | * | * | | | trans | 66.4 | 139.9 | 138.3 | -87.1 | -82.4 | 0 | 0 | 0 | 122.5 | | |
| 1465 | N | 23.7 | Very low | 28.2 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | trans | 70.8 | 115.9 | 145.6 | -63.2 | -2.2 | 0 | 0 | 0 | 121 | | |
| 1466 | V | 25.5 | Very low | 28.1 | Very low | 115 Ų | 115 | 136 Ų | 136 | 70% | 0.697 | 73% | 0.731 | S | S | * | * | | | | 45.9 | 107.9 | 120.7 | -173.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1467 | I | 30.9 | Very low | 27.9 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | | 33.9 | 144.7 | 125 | -38.2 | 170 | 0 | 0 | 0 | 119.3 | | |
| 1468 | N | 26.3 | Very low | 28.1 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | trans | 101.3 | 159.8 | 165.2 | -53.5 | -68.5 | 0 | 0 | 0 | 113.3 | | |
| 1469 | S | 29.6 | Very low | 28 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | | | cis | -150.1 | 164.7 | 16.4 | -44.1 | 0 | 0 | 0 | 0 | 113 | | |
| 1470 | N | 28.7 | Very low | 28.1 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | | -173.3 | 141 | 125.4 | -92.4 | -21.6 | 0 | 0 | 0 | 111.1 | | |
| 1471 | Q | 30.7 | Very low | 28.8 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | | | cis | -167.6 | 167 | -30.2 | -133 | -170.6 | 87.1 | 0 | 0 | 108.8 | | |
| 1472 | L | 31.3 | Very low | 28.8 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | trans | 70.2 | 139.3 | 167.9 | -59.7 | 161.9 | 0 | 0 | 0 | 116.4 | | |
| 1473 | R | 26 | Very low | 28.9 | Very low | 222 Ų | 222 | 130.1 Ų | 130.1 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | cis | -160 | 172 | -6.6 | -148.2 | 178.9 | -179.3 | -157.8 | -0.2 | 111 | | |
| 1474 | S | 29.6 | Very low | 28.9 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | trans | 73.4 | 123.4 | 175.9 | 73.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1475 | N | 27.7 | Very low | 29 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | cis | 71.8 | 142.8 | 7.1 | -132.5 | 34.4 | 0 | 0 | 0 | 115 | | |
| 1476 | P | 36.4 | Very low | 29.2 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | cis | -137 | 161.7 | 20.8 | 41.5 | -23.7 | 0 | 0 | 0 | 119.1 | | |
| 1477 | G | 28.7 | Very low | 29.1 | Very low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | | | trans | 100.1 | 142.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1478 | V | 33 | Very low | 29 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | cis | -143 | 148.1 | -2.1 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1479 | L | 29.7 | Very low | 29 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | | | trans | -20 | 148.3 | 169.6 | -65 | 153.5 | 0 | 0 | 0 | 120.4 | | |
| 1480 | G | 27.4 | Very low | 29 | Very low | 72 Ų | 72 | 135.4 Ų | 135.4 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | | 112.2 | 116.8 | 127.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1481 | P | 39.9 | Very low | 29 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | trans | -98.4 | 152.6 | 168.9 | 37.4 | -31.7 | 0 | 0 | 0 | 112.8 | | |
| 1482 | A | 25.9 | Very low | 29 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | | | trans | -153.2 | 158 | 163 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1483 | S | 26.3 | Very low | 28.9 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | | | trans | -79.2 | -180 | 168.2 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1484 | D | 24.1 | Very low | 29.2 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | 64.4 | 106.8 | 160.3 | -50 | -56.6 | 0 | 0 | 0 | 117.8 | | |
| 1485 | L | 27.6 | Very low | 29.2 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | | | | -155.1 | 152.8 | 108.7 | -107.8 | 170.2 | 0 | 0 | 0 | 111.5 | | |
| 1486 | T | 27.5 | Very low | 29.5 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | -96.1 | 151 | -172.7 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1487 | S | 24.5 | Very low | 29.2 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | | | trans | 57.2 | 133.1 | 144.9 | -162.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1488 | W | 28.5 | Very low | 29.5 | Very low | 241 Ų | 241 | 134.7 Ų | 134.7 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | | | | -175.9 | 124.3 | 100.5 | -104.8 | 74.4 | 0 | 0 | 0 | 109.5 | | |
| 1489 | D | 25.7 | Very low | 29.7 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | trans | -68.7 | 146.1 | 174.9 | -77.5 | -76.7 | 0 | 0 | 0 | 112.7 | T1491 | D1489-T1491 WeakPolarHBondContact OD1-CG2 3.12Š|
| 1490 | V | 30 | Very low | 30 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | | | | -133.7 | 113.1 | 126.7 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1491 | T | 29 | Very low | 30.5 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 55% | 0.546 | 73% | 0.733 | S | S | . | * | | | trans | -104.7 | 154.1 | 178.2 | 51.7 | 0 | 0 | 0 | 0 | 113 | D1489 | D1489-T1491 WeakPolarHBondContact OD1-CG2 3.12Š|
| 1492 | N | 29.6 | Very low | 30.5 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | trans | 64.7 | 129.3 | 154.1 | -63.4 | -43.3 | 0 | 0 | 0 | 120.2 | | |
| 1493 | R | 30.4 | Very low | 31.1 | Very low | 229 Ų | 229 | 130.6 Ų | 130.6 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | | | | -157.4 | 128.9 | 115.7 | -110.5 | 162.3 | -152.8 | -83.1 | -4.8 | 113.9 | | |
| 1494 | L | 31 | Very low | 31.6 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | | | trans | 72.2 | 106.2 | 165.7 | -49.5 | 176.7 | 0 | 0 | 0 | 114.1 | | |
| 1495 | N | 30.7 | Very low | 32.3 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | | | cis | 83.8 | 98.1 | 36.4 | -54.8 | 13.2 | 0 | 0 | 0 | 114.8 | | |
| 1496 | N | 33.3 | Very low | 32.6 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | | | | -162 | 122.1 | 122.1 | -105.5 | -2.7 | 0 | 0 | 0 | 109.4 | | |
| 1497 | S | 29.6 | Very low | 32.7 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 59% | 0.594 | 68% | 0.676 | S | S | * | * | | | trans | -85.6 | -17.4 | -165.8 | 41.8 | 0 | 0 | 0 | 0 | 115.4 | S1499 L1500 | S1497-S1499 VanDerWaalsContact C-N 3.34Å; S1497-S1499 PolarHBondContact O-N 2.76Å; S1497-L1500 PolarHBondContact O-N 2.78Å |
| 1498 | D | 35.9 | Very low | 33.1 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 66% | 0.663 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -80.5 | -16.2 | -163.4 | -51.7 | -36.5 | 0 | 0 | 0 | 113.4 | | |
| 1499 | S | 37.2 | Very low | 33.1 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -77.3 | -23.5 | 171.7 | -60.6 | 0 | 0 | 0 | 0 | 113.6 | S1497 A1503 | S1497-S1499 VanDerWaalsContact C-N 3.34Å; S1497-S1499 PolarHBondContact O-N 2.76Å; S1499-A1503 WeakPolarHBondContact O-CB 3Å; S1499-A1503 PolarHBondContact O-N 3.4Å |
| 1500 | L | 36.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 63% | 0.628 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -79.9 | -40.6 | -174.9 | -163.1 | 115.5 | 0 | 0 | 0 | 112.3 | S1497 A1503 L1504 | S1497-L1500 PolarHBondContact O-N 2.78Å; L1500-A1503 PolarHBondContact O-N 3.44Å; L1500-L1504 HydrophobicContact CD2-CD1 3.88Å; L1500-L1504 HydrophobicContact CG-CD1 4.41Å; L1500-L1504 PolarHBondContact O-N 2.97Å |
| 1501 | M | 36.9 | Very low | 33.2 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 60% | 0.596 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.3 | -29.7 | 176.6 | -83.4 | -68.7 | -73.1 | 0 | 0 | 113.2 | R1505 | M1501-R1505 PolarHBondContact O-N 3.31Å; M1501-R1505 VanDerWaalsContact O-N 3.16Å |
| 1502 | L | 41.6 | Very low | 33.2 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 70% | 0.702 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.8 | -40.9 | 172.2 | -121.6 | 72.5 | 0 | 0 | 0 | 111.8 | R1505 A1506 | L1502-R1505 PolarHBondContact O-N 2.92Å; L1502-A1506 WeakPolarHBondContact O-CB 3.39Å; L1502-A1506 PolarHBondContact O-N 2.96Å |
| 1503 | A | 37.3 | Very low | 33 | Very low | 60 Ų | 60 | 123 Ų | 123 | 50% | 0.496 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -60.7 | -44.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | S1499 L1500 R1505 A1506 A1507 | S1499-A1503 WeakPolarHBondContact O-CB 3Å; S1499-A1503 PolarHBondContact O-N 3.4Å; L1500-A1503 PolarHBondContact O-N 3.44Å; A1503-R1505 PolarHBondContact O-N 3.21Å; A1503-A1506 PolarHBondContact O-N 3.33Å; A1503-A1507 WeakPolarHBondContact O-CB 3.43Å; A1503-A1507 PolarHBondContact O-N 2.96Å |
| 1504 | L | 37.3 | Very low | 32.9 | Very low | 97 Ų | 97 | 116.5 Ų | 116.5 | 51% | 0.508 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66.5 | -34 | 177.8 | -79 | 162.9 | 0 | 0 | 0 | 113.4 | L1500 | L1500-L1504 HydrophobicContact CD2-CD1 3.88Å; L1500-L1504 HydrophobicContact CG-CD1 4.41Å; L1500-L1504 PolarHBondContact O-N 2.97Å |
| 1505 | R | 38.2 | Very low | 32.7 | Very low | 197 Ų | 197 | 115.7 Ų | 115.7 | 74% | 0.743 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.7 | -34 | 171.3 | -95.8 | -177.6 | 171.8 | 151.9 | -0.3 | 113.6 | M1501 L1502 A1503 A1507 | M1501-R1505 PolarHBondContact O-N 3.31Å; M1501-R1505 VanDerWaalsContact O-N 3.16Å; L1502-R1505 PolarHBondContact O-N 2.92Å; A1503-R1505 PolarHBondContact O-N 3.21Å; R1505-A1507 VanDerWaalsContact C-N 3.34Å |
| 1506 | A | 34 | Very low | 32.6 | Very low | 65 Ų | 65 | 114.7 Ų | 114.7 | 54% | 0.537 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66.6 | -36.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1502 A1503 W1508 A1509 | L1502-A1506 WeakPolarHBondContact O-CB 3.39Å; L1502-A1506 PolarHBondContact O-N 2.96Å; A1503-A1506 PolarHBondContact O-N 3.33Å; A1506-W1508 VanDerWaalsContact C-N 3.32Å; A1506-W1508 PolarHBondContact O-N 3.24Å; A1506-A1509 PolarHBondContact O-N 2.95Å |
| 1507 | A | 30.6 | Very low | 32.3 | Very low | 70 Ų | 70 | 115 Ų | 115 | 58% | 0.579 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66 | -27.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1503 R1505 | A1503-A1507 WeakPolarHBondContact O-CB 3.43Å; A1503-A1507 PolarHBondContact O-N 2.96Å; R1505-A1507 VanDerWaalsContact C-N 3.34Å |
| 1508 | W | 33 | Very low | 32.2 | Very low | 238 Ų | 238 | 120.9 Ų | 120.9 | 90% | 0.902 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 0.6 | -179.2 | -79.5 | 25.5 | 0 | 0 | 0 | 114.2 | A1506 | A1506-W1508 VanDerWaalsContact C-N 3.32Å; A1506-W1508 PolarHBondContact O-N 3.24Å |
| 1509 | A | 27.9 | Very low | 32 | Very low | 66 Ų | 66 | 121.2 Ų | 121.2 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -111.6 | 28.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1232 A1506 | R1232-A1509 PolarHBondContact NH2-O 2.93Å; A1506-A1509 PolarHBondContact O-N 2.95Å |
| 1510 | S | 25.9 | Very low | 31.5 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 48% | 0.483 | 67% | 0.667 | S | S | . | * | | | trans | -143.9 | 65.3 | -178.1 | -62.3 | 0 | 0 | 0 | 0 | 114.4 | R1232 | R1232-S1510 PolarHBondContact NH2-OG 3.04Š|
| 1511 | N | 31.2 | Very low | 31.1 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 82% | 0.824 | 67% | 0.668 | S | S | * | * | | | trans | -135.4 | 150.5 | 149.8 | -100.5 | -31.3 | 0 | 0 | 0 | 109.3 | | |
| 1512 | S | 28.5 | Very low | 30.7 | Very low | 90 Ų | 90 | 126.2 Ų | 126.2 | 63% | 0.629 | 67% | 0.671 | S | S | * | * | | | trans | -157.5 | 125.8 | -174.9 | -170.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1513 | L | 27 | Very low | 30 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | | | trans | 69.7 | 147.3 | -176.1 | -54.3 | 152.4 | 0 | 0 | 0 | 112.3 | | |
| 1514 | Q | 28.1 | Very low | 29.5 | Very low | 91 Ų | 91 | 130.3 Ų | 130.3 | 43% | 0.425 | 69% | 0.692 | S | S | . | * | | | cis | -124.3 | 161.5 | 13.8 | -66 | -176.6 | 36 | 0 | 0 | 116.6 | N210 D211 | N210-Q1514 PolarHBondContact O-NE2 2.75Å; D211-Q1514 PolarHBondContact OD1-NE2 3.02Å; D211-Q1514 WeakPolarHBondContact OD2-CG 3.26Å |
| 1515 | N | 27 | Very low | 29.1 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | | | trans | 68 | 120.3 | 141.9 | -74.3 | -26.4 | 0 | 0 | 0 | 124.9 | | |
| 1516 | S | 28.6 | Very low | 28.8 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | | | trans | 71.1 | 122.2 | 134.4 | 60.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1517 | N | 26.8 | Very low | 28.6 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 71% | 0.709 | S | S | * | * | | | trans | -65.5 | 146.5 | 162.5 | -53.5 | -73.6 | 0 | 0 | 0 | 111.4 | | |
| 1518 | F | 27.7 | Very low | 28.5 | Very low | 208 Ų | 208 | 134.9 Ų | 134.9 | 91% | 0.912 | 72% | 0.722 | S | S | * | * | | | trans | -125 | 145.3 | 144.9 | -139.2 | -88.4 | 0 | 0 | 0 | 109 | | |
| 1519 | L | 30.3 | Very low | 28.3 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | | | trans | -109 | 138.9 | -170.1 | -82.2 | 170 | 0 | 0 | 0 | 111.7 | | |
| 1520 | L | 28.1 | Very low | 28.3 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | | | trans | 68.2 | 157 | 155.8 | -58.1 | 160.5 | 0 | 0 | 0 | 114.7 | | |
| 1521 | R | 27.1 | Very low | 28.5 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 65% | 0.653 | 73% | 0.727 | S | S | * | * | | | cis | -157.2 | 161.6 | 6.5 | -140.7 | -175.2 | -179.8 | -171.1 | -0.3 | 112 | | |
| 1522 | N | 27.8 | Very low | 28.3 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | | | trans | 53.5 | 91.5 | 151.8 | -69.2 | 3.5 | 0 | 0 | 0 | 121.6 | | |
| 1523 | S | 26.6 | Very low | 28.3 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | | | | 4.1 | 159.3 | 112.1 | -36.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1524 | I | 28.4 | Very low | 28.4 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 90% | 0.897 | 69% | 0.694 | S | S | * | * | | | trans | 85.9 | 128.9 | 162.6 | -53.2 | 166.8 | 0 | 0 | 0 | 115.4 | | |
| 1525 | G | 29.1 | Very low | 28.4 | Very low | 64 Ų | 64 | 130.2 Ų | 130.2 | 66% | 0.66 | 70% | 0.704 | S | S | * | * | | | cis | 159.1 | 152.3 | -7.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1526 | Q | 30.7 | Very low | 28.3 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | | | trans | -162 | 144.9 | 172.5 | -80 | -151.4 | 7.4 | 0 | 0 | 108.3 | | |
| 1527 | N | 30.8 | Very low | 28.6 | Very low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 72% | 0.717 | S | S | * | * | | | cis | -147.6 | 163.9 | -10.4 | -77.3 | -36.1 | 0 | 0 | 0 | 108.9 | | |
| 1528 | N | 26.9 | Very low | 28.7 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 86% | 0.856 | 71% | 0.714 | S | S | * | * | | | trans | -104.8 | 154.1 | 164.2 | -92.1 | 1.2 | 0 | 0 | 0 | 110.9 | | |
| 1529 | L | 30.4 | Very low | 29 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 91% | 0.906 | 72% | 0.715 | S | S | * | * | | | trans | -155.8 | 148.7 | 159 | -109.2 | 171.1 | 0 | 0 | 0 | 110.5 | | |
| 1530 | T | 27.7 | Very low | 29.1 | Very low | 80 Ų | 80 | 134.3 Ų | 134.3 | 49% | 0.491 | 72% | 0.723 | S | S | . | * | | | trans | -150.6 | 125.5 | -168.7 | 49.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1531 | S | 30.1 | Very low | 29.7 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 62% | 0.622 | 72% | 0.721 | S | S | * | * | | | trans | -170.4 | 128.5 | 164.2 | 57.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1532 | T | 27.1 | Very low | 29.9 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 42% | 0.423 | 73% | 0.729 | S | S | . | * | | | trans | 42.5 | 151.1 | 137.1 | 66.2 | 0 | 0 | 0 | 0 | 124.6 | Q899 M900 | Q899-T1532 HydrophobicContact CB-CG2 3.83Å; Q899-T1532 HydrophobicContact CG-CG2 4.48Å; Q899-T1532 VanDerWaalsContact OE1-N 3.12Å; M900-T1532 HydrophobicContact CB-CG2 4.19Å |
| 1533 | N | 27.2 | Very low | 30.5 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 42% | 0.417 | 73% | 0.727 | S | S | . | * | | | cis | -167.1 | 171.6 | -41.5 | -153.2 | 5.7 | 0 | 0 | 0 | 112.3 | L898 Q899 | L898-N1533 HydrophobicContact CB-CB 4.36Å; L898-N1533 VanDerWaalsContact CB-OD1 3.32Å; L898-N1533 WeakPolarHBondContact CB-OD1 3.24Å; L898-N1533 WeakPolarHBondContact CD1-OD1 3.49Å; Q899-N1533 WeakPolarHBondContact O-CB 3.3Å; Q899-N1533 PolarHBondContact O-ND2 3.46Å |
| 1534 | E | 29.4 | Very low | 30.6 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 66% | 0.659 | 73% | 0.725 | S | S | * | * | | | trans | 27.8 | 114.1 | 153.7 | -76.9 | -160.5 | -132.4 | 0 | 0 | 124.6 | | |
| 1535 | N | 27.5 | Very low | 30.8 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 65% | 0.647 | 72% | 0.721 | S | S | * | * | | | | 75.9 | 131.3 | 118.3 | -64.8 | -27.5 | 0 | 0 | 0 | 125 | | |
| 1536 | N | 26.5 | Very low | 30.8 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | | | trans | 69.6 | 108.9 | 149.1 | -67.5 | -31.9 | 0 | 0 | 0 | 121.8 | | |
| 1537 | R | 34 | Very low | 30.7 | Very low | 258 Ų | 258 | 131.6 Ų | 131.6 | 97% | 0.974 | 72% | 0.72 | S | S | * | * | | | | -176.9 | 150.5 | 114.3 | -97.4 | 158.9 | -171.1 | -173.9 | 4.1 | 111.4 | | |
| 1538 | G | 28.2 | Very low | 30.5 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | | | trans | -134.6 | 159.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1539 | L | 35.8 | Very low | 30.3 | Very low | 178 Ų | 178 | 132 Ų | 132 | 93% | 0.932 | 72% | 0.716 | S | S | * | * | | | trans | -121.5 | 134.2 | 173.4 | -74.2 | 170.3 | 0 | 0 | 0 | 109.8 | | |
| 1540 | L | 32.4 | Very low | 30.2 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 87% | 0.869 | 71% | 0.705 | S | S | * | * | | | trans | -114.1 | 178.4 | 172.1 | -72.4 | 168 | 0 | 0 | 0 | 108.8 | | |
| 1541 | P | 38.8 | Very low | 30.1 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | | | trans | -135.2 | 128.1 | 131.6 | 32.7 | -19.7 | 0 | 0 | 0 | 114.2 | | |
| 1542 | I | 32 | Very low | 30.2 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | | | trans | 70.7 | 132.9 | 131.6 | -67.1 | 168.4 | 0 | 0 | 0 | 118.1 | | |
| 1543 | P | 40.5 | Very low | 30.1 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 62% | 0.623 | 75% | 0.746 | S | S | * | * | | | cis | -144.3 | -169.4 | -22.4 | 41 | -21.3 | 0 | 0 | 0 | 115.5 | | |
| 1544 | N | 29.5 | Very low | 30.1 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | 77.5 | 117.2 | 150 | -73.5 | -10.4 | 0 | 0 | 0 | 121.8 | | |
| 1545 | Q | 31.9 | Very low | 30.1 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | | | trans | 70 | 153.6 | 141.5 | -61.4 | -177.4 | 19.5 | 0 | 0 | 118.3 | | |
| 1546 | T | 29.2 | Very low | 30.1 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | cis | -164.3 | 116.6 | -22.2 | -88.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1547 | V | 29.5 | Very low | 30 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | 39.8 | 129 | 132.6 | 173.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1548 | H | 25.3 | Very low | 30.2 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 75% | 0.75 | 74% | 0.741 | S | S | * | * | | | trans | 66.7 | 123.4 | 150.8 | -89.5 | -142.3 | 0 | 0 | 0 | 122.8 | | |
| 1549 | L | 23.1 | Very low | 30.8 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | | | | 65.7 | 168.4 | 109.5 | -139.1 | 136.1 | 0 | 0 | 0 | 119.7 | | |
| 1550 | T | 29.3 | Very low | 30.5 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | | | trans | 74.8 | 126.9 | 174.4 | 64.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1551 | N | 24.8 | Very low | 30.5 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | | 11.4 | 138.2 | 123.3 | -51.5 | -17.3 | 0 | 0 | 0 | 116 | | |
| 1552 | F | 32.1 | Very low | 30.2 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | | | | -154.4 | 155.7 | 62.8 | -113.6 | -90.5 | 0 | 0 | 0 | 115.4 | | |
| 1553 | M | 24.5 | Very low | 30.2 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 85% | 0.847 | 73% | 0.725 | S | S | * | * | | | trans | -74.7 | 178.3 | 161.5 | -65.8 | -177 | 171.9 | 0 | 0 | 111.4 | | |
| 1554 | S | 28.1 | Very low | 29.8 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | | | trans | 84.8 | 149 | 158.8 | 85.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1555 | Q | 30 | Very low | 29.9 | Very low | 140 Ų | 140 | 136 Ų | 136 | 65% | 0.654 | 72% | 0.719 | S | S | * | * | | | cis | -152.4 | 160.7 | -16.2 | -115.7 | 177.3 | 95.8 | 0 | 0 | 107.7 | | |
| 1556 | Q | 26.1 | Very low | 30 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | | | | 37.2 | 147.6 | 87.2 | -47.1 | -175 | -0.7 | 0 | 0 | 114.9 | | |
| 1557 | K | 25.8 | Very low | 30 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | | | cis | -150.4 | 148.6 | 20.7 | -114.8 | 124.6 | 175.4 | 158.6 | 0 | 108.8 | | |
| 1558 | I | 37.8 | Very low | 30.3 | Very low | 145 Ų | 145 | 135 Ų | 135 | 74% | 0.744 | 71% | 0.712 | S | S | * | * | | | | 47.6 | 114.7 | 86.6 | -45.4 | 173.7 | 0 | 0 | 0 | 116 | | |
| 1559 | P | 39.8 | Very low | 30.3 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 66% | 0.656 | 71% | 0.714 | S | S | * | * | | | trans | -106.1 | 159.9 | 143.7 | 36.3 | -28.1 | 0 | 0 | 0 | 110.9 | | |
| 1560 | N | 31 | Very low | 30.4 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 88% | 0.877 | 72% | 0.715 | S | S | * | * | | | cis | -156.5 | 156.7 | -15.4 | -87.6 | -23.3 | 0 | 0 | 0 | 105.7 | | |
| 1561 | G | 30.5 | Very low | 30.5 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 71% | 0.711 | S | S | * | * | | | cis | 174.7 | -151.2 | 1.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1562 | I | 33 | Very low | 30.7 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | | | trans | 86.3 | 95.7 | 172.2 | -53.9 | 179.5 | 0 | 0 | 0 | 117.3 | | |
| 1563 | L | 31.7 | Very low | 30.6 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | | | trans | 60.2 | 145.3 | 146.5 | -84.1 | 59.9 | 0 | 0 | 0 | 120.2 | | |
| 1564 | H | 33.3 | Very low | 31 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | | | cis | -153.6 | 143.2 | 6.4 | -140.5 | -24.8 | 0 | 0 | 0 | 112.6 | | |
| 1565 | N | 31.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 134 Ų | 134 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | | | trans | 48.9 | 118.1 | 146.2 | -78.4 | 25.8 | 0 | 0 | 0 | 122.3 | | |
| 1566 | Q | 33.6 | Very low | 31.5 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | | | | 85.5 | 145.2 | 85.5 | -73.9 | 179 | 1.3 | 0 | 0 | 113.4 | | |
| 1567 | N | 29.2 | Very low | 32.3 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | cis | -152.1 | 166.3 | -4.5 | -118.8 | -5.6 | 0 | 0 | 0 | 111.7 | | |
| 1568 | P | 35.4 | Very low | 32.5 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | | | trans | -112.6 | -179.2 | -178.2 | 40 | -29.5 | 0 | 0 | 0 | 115.1 | | |
| 1569 | V | 26.3 | Very low | 32.1 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | | | trans | 61.6 | 163.4 | 169.8 | -95.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1570 | Q | 25.9 | Very low | 31.5 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | | | cis | -156.2 | 169.5 | 16.1 | -141.6 | 169 | 10 | 0 | 0 | 113.2 | | |
| 1571 | H | 30.2 | Very low | 31.3 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | | | trans | 65.6 | 126.5 | 152.2 | -80.9 | -60.5 | 0 | 0 | 0 | 124.1 | | |
| 1572 | N | 28.8 | Very low | 31.1 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | 69.2 | 154 | 135.5 | -59.5 | 1.3 | 0 | 0 | 0 | 119.3 | | |
| 1573 | L | 31.3 | Very low | 30.7 | Very low | 156 Ų | 156 | 125.1 Ų | 125.1 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | | | cis | -137.9 | -176.5 | 1.2 | -153.7 | 73.2 | 0 | 0 | 0 | 110.8 | | |
| 1574 | V | 31.7 | Very low | 30.4 | Very low | 125 Ų | 125 | 123 Ų | 123 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | | | trans | -123.7 | 137.1 | -164.5 | 172.5 | 0 | 0 | 0 | 0 | 114 | | |
| 1575 | T | 35.9 | Very low | 30.1 | Very low | 149 Ų | 149 | 120 Ų | 120 | 91% | 0.914 | 76% | 0.76 | S | S | * | * | | | trans | -151.4 | 139.7 | 142.1 | 47.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1576 | G | 32.5 | Very low | 29.8 | Very low | 67 Ų | 67 | 124.5 Ų | 124.5 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | cis | 161.2 | 167.3 | -9.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1577 | P | 43.9 | Very low | 29.7 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | cis | -122.9 | 179.1 | -14.7 | 41.1 | -26.3 | 0 | 0 | 0 | 113.6 | | |
| 1578 | T | 29.5 | Very low | 29.5 | Very low | 139 Ų | 139 | 121.4 Ų | 121.4 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -129.2 | 141.2 | -179.7 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1579 | A | 30 | Very low | 29.3 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -162.8 | 130.4 | 150 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 1580 | V | 26.4 | Very low | 29.5 | Very low | 138 Ų | 138 | 120.4 Ų | 120.4 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | cis | 79.1 | 107.8 | 38.3 | -178.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1581 | A | 26.5 | Very low | 29.6 | Very low | 92 Ų | 92 | 120.7 Ų | 120.7 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | | 178.1 | 144.9 | 128 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1582 | A | 26.3 | Very low | 29.5 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | | | trans | 64.6 | 160.1 | 144.7 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 1583 | A | 24.8 | Very low | 30.1 | Very low | 101 Ų | 101 | 119.9 Ų | 119.9 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | -127.4 | 148.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1584 | A | 25.3 | Very low | 29.8 | Very low | 98 Ų | 98 | 122 Ų | 122 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | -169 | 172.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1585 | A | 28 | Very low | 29.5 | Very low | 81 Ų | 81 | 121.9 Ų | 121.9 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | | | trans | 39.9 | 118.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1586 | Q | 23.8 | Very low | 29.6 | Very low | 195 Ų | 195 | 126.2 Ų | 126.2 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | | 63.4 | 87.1 | 74.4 | -65.6 | 178.8 | -12.3 | 0 | 0 | 115.7 | | |
| 1587 | A | 31.1 | Very low | 29.8 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | -165.2 | 123.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 1588 | V | 26.7 | Very low | 29.1 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | | 59.9 | 100.2 | 61.4 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1589 | T | 30.3 | Very low | 29 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | | -161.1 | 154.7 | 68.6 | -51.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1590 | A | 29.8 | Very low | 29 | Very low | 82 Ų | 82 | 131.5 Ų | 131.5 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | 20.8 | 131.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1591 | L | 28.6 | Very low | 29.1 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | | 75.1 | 121.8 | 51.9 | -71.9 | 172 | 0 | 0 | 0 | 117.3 | | |
| 1592 | L | 27.4 | Very low | 29.2 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -3.5 | 164.2 | 135.4 | -60.1 | 170.4 | 0 | 0 | 0 | 119.3 | | |
| 1593 | P | 41.5 | Very low | 29.5 | Very low | 98 Ų | 98 | 138 Ų | 138 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | | | cis | -142.7 | -162.2 | -40.1 | 42.1 | -23.6 | 0 | 0 | 0 | 112.5 | | |
| 1594 | F | 26.6 | Very low | 29.7 | Very low | 200 Ų | 200 | 137.1 Ų | 137.1 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | 34.6 | 100.2 | 155.7 | -80.6 | -78 | 0 | 0 | 0 | 120 | | |
| 1595 | S | 25 | Very low | 30 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | | -176.3 | 160.5 | 120.4 | -83.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1596 | R | 37.5 | Very low | 30.1 | Very low | 240 Ų | 240 | 141.4 Ų | 141.4 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | | | trans | -88 | 153.2 | 156.3 | -71.1 | -177.3 | 177.8 | -170.7 | -1.4 | 107.3 | | |
| 1597 | P | 37.9 | Very low | 30.3 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | cis | -146.4 | 177.7 | 35.9 | 43.1 | -23.9 | 0 | 0 | 0 | 117.9 | | |
| 1598 | I | 27.9 | Very low | 30.1 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | trans | 56.6 | 101.1 | 148 | -65.8 | 159.4 | 0 | 0 | 0 | 119 | | |
| 1599 | D | 27.9 | Very low | 30.4 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | | 61 | 132.9 | 124.4 | -49.4 | -11.5 | 0 | 0 | 0 | 124.8 | | |
| 1600 | N | 29.3 | Very low | 30.4 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | | | trans | 76.3 | 130.2 | 147.1 | -64.5 | -25 | 0 | 0 | 0 | 121.4 | | |
| 1601 | Y | 29.6 | Very low | 30.7 | Very low | 233 Ų | 233 | 147.2 Ų | 147.2 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | | | trans | -99.4 | 147.5 | 167.8 | -113.5 | -88.9 | 0 | 0 | 0 | 111.4 | | |
| 1602 | S | 28.8 | Very low | 30.9 | Very low | 91 Ų | 91 | 146.1 Ų | 146.1 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | trans | -75 | 174.8 | 170.1 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1603 | L | 32.6 | Very low | 31 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | | -162 | 152.2 | 54.1 | -157.1 | 82.1 | 0 | 0 | 0 | 114.3 | | |
| 1604 | S | 28.7 | Very low | 30.9 | Very low | 83 Ų | 83 | 145.3 Ų | 145.3 | 58% | 0.58 | 78% | 0.782 | S | S | * | * | | | trans | -60.1 | 169.7 | 161.4 | 45.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1605 | Q | 30.2 | Very low | 31.2 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | cis | -176.3 | 176.6 | -9.8 | -101.4 | 176.3 | -1.2 | 0 | 0 | 105.2 | | |
| 1606 | A | 30.3 | Very low | 31.6 | Very low | 81 Ų | 81 | 142.8 Ų | 142.8 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | | | cis | -176.4 | 170.4 | -26.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1607 | L | 28.8 | Very low | 31.4 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | trans | 178 | 150.1 | 137.2 | -97.1 | 163.4 | 0 | 0 | 0 | 112.3 | | |
| 1608 | M | 27 | Very low | 31 | Very low | 156 Ų | 156 | 136 Ų | 136 | 77% | 0.768 | 76% | 0.76 | S | S | * | * | | | trans | 20.2 | 112.7 | 156.6 | -58.5 | -65.8 | -164.4 | 0 | 0 | 120.2 | | |
| 1609 | H | 32.4 | Very low | 31.8 | Very low | 191 Ų | 191 | 135.1 Ų | 135.1 | 88% | 0.884 | 77% | 0.765 | S | S | * | * | | | | 175.1 | 131.9 | 107.4 | -101.7 | -81 | 0 | 0 | 0 | 112.8 | | |
| 1610 | T | 30.7 | Very low | 31.9 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -94.2 | 152.6 | 166.1 | 53.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1611 | P | 36.7 | Very low | 32.1 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | | -153.7 | -170.2 | 75.2 | 34.9 | -10.7 | 0 | 0 | 0 | 117.3 | | |
| 1612 | V | 31.3 | Very low | 32.1 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | 95.7 | 89.7 | 161.8 | -165.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1613 | T | 30.1 | Very low | 32.6 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | | | trans | -61.8 | 157 | 150.5 | 49.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1614 | P | 39.6 | Very low | 32.4 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | | -140.9 | 147.5 | 62.9 | 33.3 | -12.1 | 0 | 0 | 0 | 115.8 | | |
| 1615 | S | 32.8 | Very low | 32.6 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | | 70.4 | 151.7 | 84.3 | 109.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1616 | M | 33.3 | Very low | 32.4 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | cis | -153.2 | 166.5 | 14 | -119.3 | -177.4 | -171.5 | 0 | 0 | 107.2 | | |
| 1617 | I | 33.8 | Very low | 32.2 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | | | cis | -158 | -175.9 | -5.5 | -157.9 | 165.2 | 0 | 0 | 0 | 108.1 | | |
| 1618 | G | 28.2 | Very low | 32.1 | Very low | 57 Ų | 57 | 137.3 Ų | 137.3 | 59% | 0.588 | 78% | 0.781 | S | S | * | * | | | trans | -143.2 | 168.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1619 | P | 46.2 | Very low | 32.3 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | | -139.3 | 154 | 112.6 | 30.9 | -14.6 | 0 | 0 | 0 | 112.8 | | |
| 1620 | M | 29.9 | Very low | 32 | Very low | 178 Ų | 178 | 131 Ų | 131 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | cis | 95.6 | 139.8 | 29.7 | -164.1 | -178.6 | -175.6 | 0 | 0 | 113.8 | | |
| 1621 | I | 33.1 | Very low | 32.4 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | trans | 112.1 | 150.6 | 171.4 | -58.6 | 172.7 | 0 | 0 | 0 | 115.9 | | |
| 1622 | Q | 28.8 | Very low | 32.2 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | trans | -117.4 | -167.2 | -161.3 | -88.9 | -177.4 | -14.6 | 0 | 0 | 110.7 | | |
| 1623 | P | 39.6 | Very low | 32.2 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | cis | -141 | -178.3 | -49.7 | 41 | -24.6 | 0 | 0 | 0 | 115 | | |
| 1624 | A | 28.2 | Very low | 32.7 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | | | trans | 70.9 | 170.1 | 138.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 1625 | S | 32.7 | Very low | 32.5 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 90% | 0.895 | 75% | 0.748 | S | S | * | * | | | trans | 90.4 | 170.5 | 170.6 | 81.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1626 | N | 26.8 | Very low | 32.6 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | | | trans | -155.6 | 156.4 | -143.3 | -147.3 | -2.9 | 0 | 0 | 0 | 111.5 | | |
| 1627 | W | 25.1 | Very low | 32.6 | Very low | 212 Ų | 212 | 132 Ų | 132 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | | | trans | 78.5 | 139.8 | 164.6 | -74 | 29.3 | 0 | 0 | 0 | 121.7 | | |
| 1628 | T | 27.2 | Very low | 32.6 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | | | trans | 74.9 | 147.8 | 150.4 | 48.4 | 0 | 0 | 0 | 0 | 122.8 | | |
| 1629 | A | 31.6 | Very low | 33 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | 78.1 | 102.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1630 | S | 25.6 | Very low | 32.3 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -57.6 | -179.6 | 157 | -25.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1631 | P | 39.6 | Very low | 32.5 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | cis | -141.4 | -167.5 | -4.5 | 33 | -8.8 | 0 | 0 | 0 | 115.7 | | |
| 1632 | L | 32 | Very low | 32.4 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | | | trans | 94.1 | 119.8 | 151.4 | -67.3 | 167.1 | 0 | 0 | 0 | 122.6 | P636 | P636-L1632 HydrophobicContact CG-CD2 4.27Š|
| 1633 | I | 32.8 | Very low | 32.6 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | | | trans | 85.5 | 142 | 139.2 | -71.7 | 170 | 0 | 0 | 0 | 119.2 | P636 | P636-I1633 HydrophobicContact CG-CG1 4.46Š|
| 1634 | P | 39.3 | Very low | 32.2 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 46% | 0.455 | 77% | 0.765 | S | S | . | * | | | trans | -133.8 | -174.8 | -147.5 | 42.9 | -24.3 | 0 | 0 | 0 | 116.8 | | |
| 1635 | N | 35.2 | Very low | 32.5 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | | | trans | 70.2 | 152.3 | 161.2 | -61.6 | -23.2 | 0 | 0 | 0 | 117.9 | | |
| 1636 | I | 36.2 | Very low | 32.5 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | | | cis | -157.2 | 137.9 | -20.9 | -105.8 | 160.6 | 0 | 0 | 0 | 104.5 | | |
| 1637 | Y | 33.1 | Very low | 32.9 | Very low | 212 Ų | 212 | 140.4 Ų | 140.4 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | trans | -160.5 | 133.7 | 147.2 | -112.1 | -78.9 | 0 | 0 | 0 | 111.6 | | |
| 1638 | Q | 34.5 | Very low | 33.5 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | | | trans | -25.2 | 159.4 | 154.7 | -67.4 | 162.9 | -28.8 | 0 | 0 | 117.3 | | |
| 1639 | S | 36 | Very low | 34 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | cis | -172.5 | 136.1 | -9.4 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1640 | I | 32.1 | Very low | 34.2 | Very low | 245 Ų | 245 | 138.5 Ų | 138.5 | 100% | 1.256 | 74% | 0.744 | S | S | * | * | | | trans | -153.1 | 0 | 144.7 | -100.9 | 164.8 | 0 | 0 | 0 | 106.4 | | |