| 1 | M | 32.6 | Very low | 28.3 | Very low | 219 Ų | 219 | 159.4 Ų | 159.4 | 100% | 1.079 | 83% | 0.832 | S | S | * | * | | | | 0 | 107.8 | 0 | -84 | -176.6 | 173.8 | 0 | 0 | 107 | | |
| 2 | N | 23.7 | Very low | 28.1 | Very low | 168 Ų | 168 | 159.2 Ų | 159.2 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | | | trans | -100.5 | 113.7 | -178.3 | -67.2 | 15.4 | 0 | 0 | 0 | 109.4 | | |
| 3 | C | 29.8 | Very low | 28 | Very low | 128 Ų | 128 | 158.4 Ų | 158.4 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | | | trans | -110.3 | 114.6 | 160.8 | -73.4 | 0 | 0 | 0 | 0 | 106 | | |
| 4 | A | 30 | Very low | 27.9 | Very low | 93 Ų | 93 | 155.1 Ų | 155.1 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | -60 | 147.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 5 | Q | 26.1 | Very low | 28 | Very low | 191 Ų | 191 | 157.6 Ų | 157.6 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | trans | -58.6 | 138 | 160.3 | -73.1 | 160.8 | -76.6 | 0 | 0 | 109 | | |
| 6 | I | 27 | Very low | 27.8 | Very low | 142 Ų | 142 | 155.3 Ų | 155.3 | 73% | 0.728 | 82% | 0.82 | S | S | * | * | | | trans | -125.7 | 98.8 | 158.3 | -60.9 | 177.9 | 0 | 0 | 0 | 104.4 | | |
| 7 | S | 29.6 | Very low | 27.8 | Very low | 87 Ų | 87 | 158.9 Ų | 158.9 | 61% | 0.608 | 82% | 0.821 | S | S | * | * | | | trans | -67.3 | 156.1 | 163.3 | 36.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 8 | I | 29.4 | Very low | 27.9 | Very low | 171 Ų | 171 | 156.5 Ų | 156.5 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -110.9 | 72.9 | 171.8 | -56 | 178.5 | 0 | 0 | 0 | 107.1 | | |
| 9 | Q | 25.9 | Very low | 27.8 | Very low | 163 Ų | 163 | 154.8 Ų | 154.8 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | | | trans | -143.1 | 148.7 | 168.4 | -90.2 | 169.6 | -36.6 | 0 | 0 | 106 | | |
| 10 | E | 29.3 | Very low | 27.9 | Very low | 188 Ų | 188 | 154.8 Ų | 154.8 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | 64.2 | 104.5 | -171.8 | -53 | -172.2 | 146.3 | 0 | 0 | 116.1 | | |
| 11 | Y | 27.9 | Very low | 28.1 | Very low | 203 Ų | 203 | 154.5 Ų | 154.5 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | | | | -154.9 | 56.4 | 124 | -132.4 | -94.2 | 0 | 0 | 0 | 111.8 | T14 | Y11-T14 WeakPolarHBondContact CE1-OG1 3.22Š|
| 12 | I | 26.1 | Very low | 27.8 | Very low | 157 Ų | 157 | 153.4 Ų | 153.4 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | | | trans | -80.5 | 142.5 | 158.8 | -69.2 | 172.4 | 0 | 0 | 0 | 106.7 | | |
| 13 | L | 26.9 | Very low | 28.1 | Very low | 149 Ų | 149 | 154 Ų | 154 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | 67.3 | 109.6 | -176.6 | -61.3 | 149.3 | 0 | 0 | 0 | 116.3 | | |
| 14 | T | 25.9 | Very low | 28 | Very low | 113 Ų | 113 | 151.9 Ų | 151.9 | 69% | 0.693 | 79% | 0.79 | S | S | * | * | | | | 174.5 | 67.3 | 123.8 | 32.5 | 0 | 0 | 0 | 0 | 112.7 | Y11 | Y11-T14 WeakPolarHBondContact CE1-OG1 3.22Š|
| 15 | K | 29.8 | Very low | 27.9 | Very low | 192 Ų | 192 | 152.7 Ų | 152.7 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | -145 | 104.8 | 152.5 | -106.3 | -171.1 | 178.8 | -176.3 | 0 | 108.9 | Y17 | K15-Y17 PolarHBondContact O-N 3.36Š|
| 16 | S | 24.9 | Very low | 28.1 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -73.7 | 103.6 | 173.6 | 33.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 17 | Y | 28.7 | Very low | 28.2 | Very low | 216 Ų | 216 | 149.3 Ų | 149.3 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | trans | -90.7 | 114.3 | 162.9 | -114.1 | -84.2 | 0 | 0 | 0 | 108.6 | K15 P19 | K15-Y17 PolarHBondContact O-N 3.36Å; Y17-P19 WeakPolarHBondContact O-CD 3.29Å |
| 18 | T | 29.1 | Very low | 28.4 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | | | trans | -73.6 | 119.6 | 176.5 | 41.4 | 0 | 0 | 0 | 0 | 110.6 | I20 | T18-I20 PolarHBondContact O-N 3.25Š|
| 19 | P | 26.1 | Very low | 28.3 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | | | trans | -75.1 | 119.6 | 170.3 | 30.6 | -31.5 | 0 | 0 | 0 | 109.3 | Y17 N21 | Y17-P19 WeakPolarHBondContact O-CD 3.29Å; P19-N21 PolarHBondContact O-N 3.26Å |
| 20 | I | 30.4 | Very low | 28.6 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 80% | 0.795 | 78% | 0.784 | S | S | * | * | | | trans | -78.3 | 112.5 | 175.2 | -67.2 | 179.1 | 0 | 0 | 0 | 109.2 | T18 | T18-I20 PolarHBondContact O-N 3.25Š|
| 21 | N | 31.3 | Very low | 28.4 | Very low | 149 Ų | 149 | 145 Ų | 145 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | 45 | 119.9 | 157.9 | -65.1 | -6.8 | 0 | 0 | 0 | 120.2 | P19 | P19-N21 PolarHBondContact O-N 3.26Š|
| 22 | K | 26.9 | Very low | 28.3 | Very low | 196 Ų | 196 | 141.6 Ų | 141.6 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | -57.3 | 142.5 | 159.4 | -52.5 | 166.7 | -177.5 | 175.9 | 0 | 110.4 | | |
| 23 | I | 28.7 | Very low | 28.5 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 92% | 0.918 | 79% | 0.785 | S | S | * | * | | | trans | -113.1 | 144.3 | 134.7 | -65.5 | -179.2 | 0 | 0 | 0 | 105.8 | | |
| 24 | S | 27.6 | Very low | 28.3 | Very low | 84 Ų | 84 | 144 Ų | 144 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | | | trans | -116.2 | 150.6 | -164 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 25 | T | 27.5 | Very low | 28.5 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | | | trans | 63.8 | 150 | 156 | 32.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 26 | D | 31.5 | Very low | 28.2 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | cis | -121.6 | 169.6 | 14.4 | -99.7 | -52.4 | 0 | 0 | 0 | 115.9 | | |
| 27 | V | 29.1 | Very low | 28.4 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | | | trans | -101.6 | 141.5 | 177.1 | 170.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 28 | D | 33 | Very low | 28.4 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | -150.6 | 152.5 | 135.5 | -130.1 | -27.7 | 0 | 0 | 0 | 114 | | |
| 29 | N | 28.6 | Very low | 28.4 | Very low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | -107.1 | 155.6 | -176.7 | -67.9 | -76.7 | 0 | 0 | 0 | 111.2 | | |
| 30 | S | 30.8 | Very low | 28.6 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | | -179.6 | 144.2 | 116.6 | 40 | 0 | 0 | 0 | 0 | 115.7 | | |
| 31 | C | 25.5 | Very low | 28.6 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | trans | 1.3 | 123.8 | 156.3 | -60.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 32 | T | 26.6 | Very low | 28.6 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | | 5.5 | 123.6 | 121.6 | 53.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 33 | Q | 28.7 | Very low | 28.8 | Very low | 196 Ų | 196 | 139 Ų | 139 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | | | | -150.6 | 147.8 | 127 | -120.6 | 175.9 | 21.5 | 0 | 0 | 112.4 | | |
| 34 | I | 24.5 | Very low | 28.9 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | | | trans | -89.2 | 126.3 | 170.4 | -61.9 | 165.3 | 0 | 0 | 0 | 107.3 | | |
| 35 | I | 28.4 | Very low | 29 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 82% | 0.821 | 77% | 0.767 | S | S | * | * | | | trans | -176.8 | 144.8 | 144.3 | -97.5 | 149.8 | 0 | 0 | 0 | 108.5 | | |
| 36 | S | 24.9 | Very low | 29.2 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -96.1 | 127 | 173.9 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 37 | D | 29.1 | Very low | 29 | Very low | 134 Ų | 134 | 149.6 Ų | 149.6 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | | | trans | -158.1 | -176.4 | 135.6 | -134.7 | -37.9 | 0 | 0 | 0 | 113.7 | | |
| 38 | K | 27.7 | Very low | 29 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | | | trans | -92.8 | 136.2 | -156.3 | -63.3 | 160.5 | -154.6 | 84.7 | 0 | 115.2 | | |
| 39 | S | 29 | Very low | 28.8 | Very low | 98 Ų | 98 | 147.8 Ų | 147.8 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | | 87.3 | 147.8 | 129.1 | 81 | 0 | 0 | 0 | 0 | 122.4 | | |
| 40 | K | 31.1 | Very low | 28.7 | Very low | 170 Ų | 170 | 149.9 Ų | 149.9 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | | | trans | 76 | 106.2 | 148.3 | -75.5 | 170.7 | 179.3 | 175.3 | 0 | 120.5 | | |
| 41 | N | 29.3 | Very low | 28.6 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | | 89.3 | 126.7 | 118 | -65.9 | -4.8 | 0 | 0 | 0 | 121.5 | | |
| 42 | K | 31.8 | Very low | 28.5 | Very low | 178 Ų | 178 | 151.3 Ų | 151.3 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | | | | 96.7 | 98.8 | 125.8 | -94.4 | -163.2 | 167.5 | -166.9 | 0 | 122.2 | | |
| 43 | T | 31.5 | Very low | 28.6 | Very low | 117 Ų | 117 | 152.8 Ų | 152.8 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | | | | 69.6 | 148.8 | 116.3 | 53.6 | 0 | 0 | 0 | 0 | 123.1 | | |
| 44 | R | 30.5 | Very low | 28.6 | Very low | 215 Ų | 215 | 149.9 Ų | 149.9 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | 84.3 | 123.7 | 170.6 | -64.2 | -159 | 146.3 | 156.4 | -7.6 | 115.4 | | |
| 45 | E | 29.2 | Very low | 28.7 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | cis | 76 | 105.6 | 45.5 | -65.2 | 178.6 | 136.1 | 0 | 0 | 113.2 | | |
| 46 | E | 32.3 | Very low | 28.7 | Very low | 200 Ų | 200 | 147.3 Ų | 147.3 | 94% | 0.935 | 77% | 0.768 | S | S | * | * | | | | -155.2 | 149.9 | 128 | -121.7 | 165.9 | -160.8 | 0 | 0 | 110 | | |
| 47 | M | 26.8 | Very low | 28.9 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | | | trans | -116.2 | 139.7 | -179.5 | -69.1 | 174 | 66.4 | 0 | 0 | 110 | | |
| 48 | V | 30.5 | Very low | 28.9 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | | | trans | -134.6 | 127.5 | 157.6 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 49 | A | 27.7 | Very low | 29 | Very low | 82 Ų | 82 | 151 Ų | 151 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | -140.3 | 131.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 50 | M | 26.7 | Very low | 29.1 | Very low | 175 Ų | 175 | 153.4 Ų | 153.4 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | | | trans | -179.4 | 141.1 | 172.1 | -104.1 | -167.2 | -65 | 0 | 0 | 106.9 | | |
| 51 | T | 28.9 | Very low | 29.1 | Very low | 118 Ų | 118 | 153.5 Ų | 153.5 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | | | cis | -149.8 | 160.7 | -2.3 | -57.3 | 0 | 0 | 0 | 0 | 109 | | |
| 52 | L | 24.5 | Very low | 29 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | -65.9 | 163.6 | 171.7 | -59.2 | 98.2 | 0 | 0 | 0 | 113.1 | | |
| 53 | L | 28.2 | Very low | 28.9 | Very low | 163 Ų | 163 | 150.4 Ų | 150.4 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | | -160.5 | 154.3 | 114.9 | -106.4 | 166.4 | 0 | 0 | 0 | 113.2 | | |
| 54 | Q | 27.6 | Very low | 28.7 | Very low | 134 Ų | 134 | 155.4 Ų | 155.4 | 63% | 0.626 | 80% | 0.801 | S | S | * | * | | | trans | -81.6 | -178.1 | 174.4 | -60 | 139.8 | -100.9 | 0 | 0 | 110.1 | | |
| 55 | E | 26.8 | Very low | 28.6 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | cis | -155 | -179.4 | 4 | -139.3 | 136.7 | -127.3 | 0 | 0 | 105.5 | | |
| 56 | S | 29.6 | Very low | 28.7 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | cis | -162.2 | 178.8 | 24.7 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 57 | N | 27.6 | Very low | 28.8 | Very low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | -107 | 154 | 173.1 | -47.4 | -58.7 | 0 | 0 | 0 | 111.7 | | |
| 58 | E | 30.4 | Very low | 29.1 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | | | trans | -134.4 | 132.2 | 144.3 | -76 | -163 | 152.6 | 0 | 0 | 109.4 | | |
| 59 | D | 28.4 | Very low | 29.2 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | trans | -87.5 | 147.2 | 176.2 | -66.3 | -75.7 | 0 | 0 | 0 | 111.1 | | |
| 60 | V | 32 | Very low | 29.3 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | | | trans | -126.4 | 119.5 | 161.3 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 61 | E | 30.1 | Very low | 29.7 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | trans | -85.8 | 159.1 | -171.7 | -167.6 | 171.3 | -162.7 | 0 | 0 | 112.5 | | |
| 62 | S | 28.6 | Very low | 29.9 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | trans | 49.9 | 120.3 | 160.2 | 61.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 63 | D | 29.3 | Very low | 30.3 | Very low | 146 Ų | 146 | 152.5 Ų | 152.5 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | | -154.4 | 141.6 | 114.3 | -136.4 | -17.6 | 0 | 0 | 0 | 113.9 | | |
| 64 | Y | 26.7 | Very low | 30.8 | Very low | 223 Ų | 223 | 152.8 Ų | 152.8 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | | | trans | -108.7 | 99.2 | -170.2 | -133.6 | -93.5 | 0 | 0 | 0 | 109.8 | | |
| 65 | M | 29.2 | Very low | 31.4 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | | | trans | -128.5 | 79.7 | -176.7 | -79.7 | -65 | 165.9 | 0 | 0 | 116.2 | | |
| 66 | N | 30.4 | Very low | 32.3 | Very low | 115 Ų | 115 | 152 Ų | 152 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | | | trans | 23.8 | 108.9 | 130.5 | -167.2 | 1.3 | 0 | 0 | 0 | 118.5 | N68 | N66-N68 PolarHBondContact O-N 3Å; N66-N68 WeakPolarHBondContact OD1-CB 3.35Å; N66-N68 PolarHBondContact OD1-ND2 2.85Å |
| 67 | I | 34.4 | Very low | 33.3 | Very low | 171 Ų | 171 | 150 Ų | 150 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -79.7 | 43.7 | -176.1 | -43.3 | 176.5 | 0 | 0 | 0 | 112.4 | | |
| 68 | N | 33 | Very low | 34 | Very low | 137 Ų | 137 | 150 Ų | 150 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | trans | -133 | 33.4 | -175.6 | -72.3 | -68.3 | 0 | 0 | 0 | 114.3 | N66 | N66-N68 PolarHBondContact O-N 3Å; N66-N68 WeakPolarHBondContact OD1-CB 3.35Å; N66-N68 PolarHBondContact OD1-ND2 2.85Å |
| 69 | N | 32.5 | Very low | 34.5 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 57% | 0.572 | 77% | 0.765 | S | S | * | * | | | trans | -139.7 | 103.9 | 176.6 | -163.5 | -9.4 | 0 | 0 | 0 | 113.3 | K71 | N69-K71 PolarHBondContact O-N 3.43Š|
| 70 | P | 31.3 | Very low | 34.7 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 45.2 | -170.8 | 36.1 | -38.1 | 0 | 0 | 0 | 113.7 | | |
| 71 | K | 34.9 | Very low | 35.2 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | -0.5 | -179.3 | -77.6 | -167.4 | 172.6 | -174.1 | 0 | 115.9 | N69 F73 | N69-K71 PolarHBondContact O-N 3.43Å; K71-F73 PolarHBondContact O-N 3.28Å |
| 72 | L | 32.7 | Very low | 35.4 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | | | trans | -101.6 | 61.5 | -174.8 | -84 | 157.9 | 0 | 0 | 0 | 113.6 | | |
| 73 | F | 32.2 | Very low | 36.1 | Very low | 220 Ų | 220 | 143.2 Ų | 143.2 | 97% | 0.965 | 74% | 0.741 | S | S | * | * | | | trans | -119.9 | 68.4 | 156 | -87.8 | -79.2 | 0 | 0 | 0 | 109.1 | K71 | K71-F73 PolarHBondContact O-N 3.28Š|
| 74 | Q | 39.3 | Very low | 36.5 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | | | trans | -115.4 | 131.4 | 164.5 | -80.6 | -174.3 | -36.2 | 0 | 0 | 108.5 | | |
| 75 | C | 39.6 | Very low | 36.6 | Very low | 79 Ų | 79 | 137.8 Ų | 137.8 | 53% | 0.534 | 73% | 0.728 | S | S | . | * | | | trans | -72.6 | 133.2 | -178.5 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | C77 | C75-C77 VanDerWaalsContact C-N 3.33Å; C75-C77 VanDerWaalsContact SG-SG 3.61Å |
| 76 | K | 45.2 | Very low | 36.6 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | | | trans | -92.2 | 22.6 | 175.6 | -70.6 | -170.1 | 175.7 | -175.7 | 0 | 113.5 | T78 | K76-T78 PolarHBondContact O-N 3.23Å; K76-T78 VanDerWaalsContact O-N 3.1Å |
| 77 | C | 50.6 | Low | 36.6 | Very low | 65 Ų | 65 | 139 Ų | 139 | 44% | 0.439 | 74% | 0.736 | S | S | . | * | | | trans | -61.8 | 109.6 | 171.2 | -90.4 | 0 | 0 | 0 | 0 | 110.8 | C75 Q79 C82 | C75-C77 VanDerWaalsContact C-N 3.33Å; C75-C77 VanDerWaalsContact SG-SG 3.61Å; C77-Q79 VanDerWaalsContact C-N 3.32Å; C77-C82 HydrophobicContact CB-CB 3.38Å; C77-C82 WeakPolarHBondContact CB-SG 3.23Å; C77-C82 WeakPolarHBondContact SG-CB 3.41Å; C77-C82 CovalentContact SG-SG 2.04Å; C77-C82 PolarHBondContact SG-SG 2.7Å |
| 78 | T | 42.3 | Very low | 36.2 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | | | trans | -89.7 | 5.3 | 173.4 | 47.4 | 0 | 0 | 0 | 0 | 113.5 | K76 | K76-T78 PolarHBondContact O-N 3.23Å; K76-T78 VanDerWaalsContact O-N 3.1Å |
| 79 | Q | 42.3 | Very low | 36 | Very low | 166 Ų | 166 | 143 Ų | 143 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -122.4 | 136.3 | 170.4 | -65.8 | -177.6 | -1.6 | 0 | 0 | 109.5 | C77 | C77-Q79 VanDerWaalsContact C-N 3.32Š|
| 80 | S | 32.9 | Very low | 35.7 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -113.5 | 138.6 | 174.7 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 81 | P | 42.6 | Very low | 35.4 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | S | Bend | cis | -76.9 | 142.6 | 0.8 | 32 | -35 | 0 | 0 | 0 | 112.6 | | |
| 82 | C | 34 | Very low | 35 | Very low | 38 Ų | 38 | 138.5 Ų | 138.5 | 26% | 0.257 | 75% | 0.753 | S | S | . | * | | | trans | -99.4 | 116.7 | 175.3 | 174.5 | 0 | 0 | 0 | 0 | 109 | C77 C84 | C77-C82 HydrophobicContact CB-CB 3.38Å; C77-C82 WeakPolarHBondContact CB-SG 3.23Å; C77-C82 WeakPolarHBondContact SG-CB 3.41Å; C77-C82 CovalentContact SG-SG 2.04Å; C77-C82 PolarHBondContact SG-SG 2.7Å; C82-C84 PolarHBondContact O-N 3.42Å; C82-C84 VanDerWaalsContact SG-SG 3.65Å |
| 83 | E | 43.1 | Very low | 34.7 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -69.5 | 4.9 | -172.2 | -59.9 | -172 | 133.4 | 0 | 0 | 115 | H85 | E83-H85 PolarHBondContact O-N 2.9Š|
| 84 | C | 37.7 | Very low | 34.6 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | | | trans | -71.5 | 14.5 | -179.5 | -63.4 | 0 | 0 | 0 | 0 | 114.9 | C82 | C82-C84 PolarHBondContact O-N 3.42Å; C82-C84 VanDerWaalsContact SG-SG 3.65Å |
| 85 | H | 29 | Very low | 33.9 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | | | trans | -137.9 | 75.9 | -178.2 | -81.8 | -61 | 0 | 0 | 0 | 113.2 | E83 | E83-H85 PolarHBondContact O-N 2.9Š|
| 86 | L | 29.2 | Very low | 33.2 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | | | trans | -137.6 | 131.7 | 160.4 | -63.9 | 172.9 | 0 | 0 | 0 | 107.7 | | |
| 87 | N | 30.4 | Very low | 32.4 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | | | cis | -141.9 | 147.8 | -7.5 | -96.7 | -34.6 | 0 | 0 | 0 | 110 | | |
| 88 | K | 26.6 | Very low | 31.3 | Very low | 198 Ų | 198 | 134.6 Ų | 134.6 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -152.6 | 142.4 | 167.8 | -157.1 | 175 | -173.1 | 179.5 | 0 | 109.1 | | |
| 89 | M | 27 | Very low | 30.4 | Very low | 196 Ų | 196 | 133.7 Ų | 133.7 | 97% | 0.966 | 77% | 0.766 | S | S | * | * | | | trans | 75.4 | 154.1 | -163.4 | -49.9 | -177 | 179 | 0 | 0 | 113.6 | | |
| 90 | G | 27.6 | Very low | 29.8 | Very low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | 127.9 | 17.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | S92 | G90-S92 PolarHBondContact O-N 3.07Š|
| 91 | T | 24.8 | Very low | 29.7 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | | | trans | -76.3 | 87.9 | 172.9 | 50.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 92 | S | 25.8 | Very low | 29.1 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | -149.6 | 106.8 | 177.4 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | G90 | G90-S92 PolarHBondContact O-N 3.07Š|
| 93 | S | 26.2 | Very low | 28.7 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | 72.3 | 157.9 | 159.7 | -146.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 94 | M | 29.6 | Very low | 27.9 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | 65 | 99.7 | 173.2 | -45.6 | -150.7 | 78.4 | 0 | 0 | 115.4 | | |
| 95 | D | 25.7 | Very low | 27.4 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | | | | 84.8 | 121.9 | 54.9 | -67.8 | -53.2 | 0 | 0 | 0 | 114.6 | | |
| 96 | N | 25.2 | Very low | 27.3 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | 51.1 | 91.6 | 151.1 | -58.3 | -41.7 | 0 | 0 | 0 | 119.8 | | |
| 97 | V | 28.3 | Very low | 27.2 | Very low | 149 Ų | 149 | 142 Ų | 142 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | | | trans | -128.7 | 139.7 | 143.5 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 98 | S | 26.1 | Very low | 27.1 | Very low | 87 Ų | 87 | 140 Ų | 140 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | | | trans | -93.6 | 151.9 | -164.2 | -167.8 | 0 | 0 | 0 | 0 | 114.2 | K100 | S98-K100 VanDerWaalsContact C-N 3.31Å; S98-K100 PolarHBondContact O-N 3.42Å |
| 99 | S | 24.7 | Very low | 27.1 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 52.4 | -174.3 | -45.9 | 0 | 0 | 0 | 0 | 114 | | |
| 100 | K | 29.2 | Very low | 27.1 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.4 | -18.6 | -174.6 | -81.5 | -164.9 | 170.9 | -174.2 | 0 | 119.4 | S98 | S98-K100 VanDerWaalsContact C-N 3.31Å; S98-K100 PolarHBondContact O-N 3.42Å |
| 101 | D | 30.3 | Very low | 27.1 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -108.2 | 26.2 | -158.5 | -55.3 | -55.2 | 0 | 0 | 0 | 116.2 | | |
| 102 | L | 29.7 | Very low | 27.3 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 95% | 0.948 | 78% | 0.781 | S | S | * | * | | | trans | -138.4 | 76.7 | 171.1 | -74.9 | 178.5 | 0 | 0 | 0 | 111.8 | | |
| 103 | D | 27.1 | Very low | 27.3 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | trans | -118.1 | 159.9 | 163.8 | -159 | -12.3 | 0 | 0 | 0 | 108.8 | | |
| 104 | S | 26.5 | Very low | 27.3 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 73.2 | 127.7 | -178 | 76.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 105 | S | 26.1 | Very low | 27.1 | Very low | 96 Ų | 96 | 147.5 Ų | 147.5 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | | | trans | 55.1 | 120.6 | 165.8 | 62.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 106 | F | 26.5 | Very low | 27.2 | Very low | 203 Ų | 203 | 147.1 Ų | 147.1 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | | | | -160.4 | 157.5 | 62.3 | -101.6 | -88 | 0 | 0 | 0 | 112.5 | D108 | F106-D108 PolarHBondContact O-N 2.8Š|
| 107 | D | 28.4 | Very low | 27.4 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | | | trans | -75.8 | 110.7 | 178.8 | -73.5 | -72 | 0 | 0 | 0 | 114.2 | | |
| 108 | D | 27.1 | Very low | 27.6 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 56% | 0.556 | 77% | 0.774 | S | S | * | * | | | trans | -162.9 | 62.6 | 152.8 | -146.7 | -18.8 | 0 | 0 | 0 | 113.6 | F106 R110 | F106-D108 PolarHBondContact O-N 2.8Å; D108-R110 VanDerWaalsContact C-N 3.25Å; D108-R110 VanDerWaalsContact CG-NE 3.27Å; D108-R110 PolarHBondContact O-N 3.27Å; D108-R110 WeakPolarHBondContact OD1-CG 3.36Å; D108-R110 IonicContact OD1-CZ 2.67Å; D108-R110 IonicContact OD1-NE 2.7Å; D108-R110 PolarHBondContact OD1-NE 3.29Å; D108-R110 IonicContact OD1-NH2 2.67Å; D108-R110 IonicContact OD2-CZ 2.66Å; D108-R110 VanDerWaalsContact OD2-CZ 3.27Å; D108-R110 IonicContact OD2-NE 2.99Å; D108-R110 PolarHBondContact OD2-NE 3.11Å; D108-R110 VanDerWaalsContact OD2-NE 3.14Å; D108-R110 IonicContact OD2-NH2 3.62Å; D108-R110 PolarHBondContact OD2-NH2 3.35Å |
| 109 | S | 28.1 | Very low | 28.1 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | | | trans | -80.7 | 55.5 | -173.6 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 110 | R | 26.5 | Very low | 28.7 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | | | trans | -66.3 | 134 | 177.2 | -50.4 | -175.9 | -166.3 | -174.6 | 6.1 | 112 | D108 | D108-R110 VanDerWaalsContact C-N 3.25Å; D108-R110 VanDerWaalsContact CG-NE 3.27Å; D108-R110 PolarHBondContact O-N 3.27Å; D108-R110 WeakPolarHBondContact OD1-CG 3.36Å; D108-R110 IonicContact OD1-CZ 2.67Å; D108-R110 IonicContact OD1-NE 2.7Å; D108-R110 PolarHBondContact OD1-NE 3.29Å; D108-R110 IonicContact OD1-NH2 2.67Å; D108-R110 IonicContact OD2-CZ 2.66Å; D108-R110 VanDerWaalsContact OD2-CZ 3.27Å; D108-R110 IonicContact OD2-NE 2.99Å; D108-R110 PolarHBondContact OD2-NE 3.11Å; D108-R110 VanDerWaalsContact OD2-NE 3.14Å; D108-R110 IonicContact OD2-NH2 3.62Å; D108-R110 PolarHBondContact OD2-NH2 3.35Å |
| 111 | N | 27.4 | Very low | 29.2 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 87% | 0.866 | 72% | 0.717 | S | S | * | * | | | trans | 25 | 93 | 158.1 | -63.8 | -13.5 | 0 | 0 | 0 | 117.3 | | |
| 112 | K | 28 | Very low | 29.7 | Very low | 196 Ų | 196 | 131.7 Ų | 131.7 | 85% | 0.852 | 70% | 0.703 | S | S | * | * | | | trans | -116.1 | 139.8 | 153.2 | -81.2 | -178.2 | 175.8 | 173.1 | 0 | 110 | N114 | K112-N114 PolarHBondContact O-N 3.31Š|
| 113 | D | 26.6 | Very low | 30.1 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | | | trans | -71.1 | 94.7 | -166.5 | -53.5 | -91.4 | 0 | 0 | 0 | 113 | F115 | D113-F115 HydrophobicContact CB-CD2 3.76Å; D113-F115 HydrophobicContact CB-CE2 3.82Å; D113-F115 PolarHBondContact O-N 2.79Å |
| 114 | N | 25.8 | Very low | 31 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 80% | 0.802 | 65% | 0.647 | S | S | * | * | | | trans | -69.9 | 79.1 | 164.2 | -87 | -18.4 | 0 | 0 | 0 | 110.1 | K112 T116 | K112-N114 PolarHBondContact O-N 3.31Å; N114-T116 PolarHBondContact O-N 2.92Å |
| 115 | F | 25.7 | Very low | 31.9 | Very low | 188 Ų | 188 | 119.8 Ų | 119.8 | 83% | 0.825 | 63% | 0.625 | S | S | * | * | | | trans | -66.8 | 72.5 | 158.6 | -81.1 | -87.3 | 0 | 0 | 0 | 109.4 | D113 S117 | D113-F115 HydrophobicContact CB-CD2 3.76Å; D113-F115 HydrophobicContact CB-CE2 3.82Å; D113-F115 PolarHBondContact O-N 2.79Å; F115-S117 PolarHBondContact O-N 3.18Å |
| 116 | T | 28.3 | Very low | 32.8 | Very low | 117 Ų | 117 | 118.3 Ų | 118.3 | 72% | 0.718 | 62% | 0.618 | S | S | * | * | | | trans | -59.3 | 120.1 | 162.5 | 40.3 | 0 | 0 | 0 | 0 | 107.8 | N114 I118 | N114-T116 PolarHBondContact O-N 2.92Å; T116-I118 PolarHBondContact O-N 3.05Å |
| 117 | S | 29.2 | Very low | 33.5 | Very low | 102 Ų | 102 | 113.6 Ų | 113.6 | 71% | 0.713 | 60% | 0.602 | S | S | * | * | | | trans | -68 | 96 | -176.7 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | F115 T119 | F115-S117 PolarHBondContact O-N 3.18Å; S117-T119 PolarHBondContact O-N 2.94Å |
| 118 | I | 33.2 | Very low | 34.4 | Very low | 138 Ų | 138 | 109 Ų | 109 | 71% | 0.708 | 58% | 0.579 | S | S | * | * | | | trans | -57.3 | 105.4 | 174.8 | -64.7 | 177.5 | 0 | 0 | 0 | 108.1 | T116 D122 | T116-I118 PolarHBondContact O-N 3.05Å; I118-D122 HydrophobicContact CG2-CB 4.06Å |
| 119 | T | 35.6 | Very low | 34.9 | Very low | 47 Ų | 47 | 111.5 Ų | 111.5 | 29% | 0.288 | 59% | 0.586 | S | S | . | * | | | trans | -74.8 | 167.2 | 174.9 | 67.9 | 0 | 0 | 0 | 0 | 110 | S117 A121 D122 Y123 | S117-T119 PolarHBondContact O-N 2.94Å; T119-A121 PolarHBondContact O-N 3.06Å; T119-A121 WeakPolarHBondContact OG1-CB 3.47Å; T119-A121 PolarHBondContact OG1-N 3.15Å; T119-D122 VanDerWaalsContact CB-OD2 3.32Å; T119-D122 WeakPolarHBondContact CB-OD2 3.49Å; T119-D122 WeakPolarHBondContact CG2-OD2 3.45Å; T119-D122 PolarHBondContact N-OD2 3.32Å; T119-D122 PolarHBondContact O-N 3.11Å; T119-D122 PolarHBondContact OG1-N 3.37Å; T119-D122 PolarHBondContact OG1-OD2 3.15Å; T119-Y123 PolarHBondContact O-N 3.31Å |
| 120 | L | 37.2 | Very low | 35.3 | Very low | 103 Ų | 103 | 114.4 Ų | 114.4 | 54% | 0.539 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.9 | -26.6 | 168 | -104.4 | 152.7 | 0 | 0 | 0 | 111.8 | F124 | L120-F124 HydrophobicContact CD2-CE2 3.76Å; L120-F124 HydrophobicContact CD2-CZ 4.03Å; L120-F124 WeakPolarHBondContact O-CD2 3.48Å; L120-F124 WeakPolarHBondContact O-CG 3.42Å; L120-F124 PolarHBondContact O-N 3.34Å; L120-F124 VanDerWaalsContact O-N 3.15Å |
| 121 | A | 39.6 | Very low | 35.6 | Very low | 29 Ų | 29 | 111 Ų | 111 | 24% | 0.24 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -69.8 | -45.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T119 Y123 F124 D125 | T119-A121 PolarHBondContact O-N 3.06Å; T119-A121 WeakPolarHBondContact OG1-CB 3.47Å; T119-A121 PolarHBondContact OG1-N 3.15Å; A121-Y123 VanDerWaalsContact C-N 3.27Å; A121-Y123 PolarHBondContact O-N 2.97Å; A121-F124 CarbonylContact O-C 3.56Å; A121-F124 PolarHBondContact O-N 3.26Å; A121-D125 PolarHBondContact O-N 3.37Å |
| 122 | D | 40.8 | Very low | 35.8 | Very low | 84 Ų | 84 | 110.3 Ų | 110.3 | 45% | 0.449 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -57.8 | -40.1 | 176.1 | -64.7 | -67 | 0 | 0 | 0 | 112 | I118 T119 D125 A126 | I118-D122 HydrophobicContact CG2-CB 4.06Å; T119-D122 VanDerWaalsContact CB-OD2 3.32Å; T119-D122 WeakPolarHBondContact CB-OD2 3.49Å; T119-D122 WeakPolarHBondContact CG2-OD2 3.45Å; T119-D122 PolarHBondContact N-OD2 3.32Å; T119-D122 PolarHBondContact O-N 3.11Å; T119-D122 PolarHBondContact OG1-N 3.37Å; T119-D122 PolarHBondContact OG1-OD2 3.15Å; D122-D125 PolarHBondContact O-N 3.09Å; D122-A126 PolarHBondContact O-N 3.48Å |
| 123 | Y | 38.4 | Very low | 35.9 | Very low | 87 Ų | 87 | 106.4 Ų | 106.4 | 34% | 0.341 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.7 | -38.9 | 175.3 | -178.9 | -104.7 | 0 | 0 | 0 | 112.3 | T119 A121 A126 L127 | T119-Y123 PolarHBondContact O-N 3.31Å; A121-Y123 VanDerWaalsContact C-N 3.27Å; A121-Y123 PolarHBondContact O-N 2.97Å; Y123-A126 PolarHBondContact O-N 2.93Å; Y123-L127 HydrophobicContact CD1-CD1 4.07Å; Y123-L127 HydrophobicContact CE1-CD1 3.62Å; Y123-L127 WeakPolarHBondContact O-CG 3.43Å; Y123-L127 PolarHBondContact O-N 3.09Å |
| 124 | F | 45.8 | Very low | 35.9 | Very low | 55 Ų | 55 | 105.3 Ų | 105.3 | 24% | 0.241 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -70.5 | -32.1 | 173.3 | -71.3 | -50.6 | 0 | 0 | 0 | 113 | L120 A121 L127 T128 | L120-F124 HydrophobicContact CD2-CE2 3.76Å; L120-F124 HydrophobicContact CD2-CZ 4.03Å; L120-F124 WeakPolarHBondContact O-CD2 3.48Å; L120-F124 WeakPolarHBondContact O-CG 3.42Å; L120-F124 PolarHBondContact O-N 3.34Å; L120-F124 VanDerWaalsContact O-N 3.15Å; A121-F124 CarbonylContact O-C 3.56Å; A121-F124 PolarHBondContact O-N 3.26Å; F124-L127 HydrophobicContact CD1-CD1 4.18Å; F124-L127 CarbonylContact O-C 3.55Å; F124-L127 WeakPolarHBondContact O-CB 3.43Å; F124-L127 PolarHBondContact O-N 3.29Å; F124-L127 VanDerWaalsContact O-N 3.13Å; F124-T128 WeakPolarHBondContact O-CG2 3.5Å; F124-T128 PolarHBondContact O-N 2.97Å; F124-T128 PolarHBondContact O-OG1 3.11Å |
| 125 | D | 45.6 | Very low | 36 | Very low | 41 Ų | 41 | 110.5 Ų | 110.5 | 22% | 0.219 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -76.3 | -23.5 | 175.1 | -79 | -13.6 | 0 | 0 | 0 | 112.9 | A121 D122 L127 T128 K129 K270 | A121-D125 PolarHBondContact O-N 3.37Å; D122-D125 PolarHBondContact O-N 3.09Å; D125-L127 VanDerWaalsContact C-N 3.3Å; D125-T128 WeakPolarHBondContact CA-OG1 3.4Å; D125-T128 PolarHBondContact O-OG1 3.39Å; D125-K129 WeakPolarHBondContact O-CD 3.42Å; D125-K129 VanDerWaalsContact O-CG 3.24Å; D125-K129 WeakPolarHBondContact O-CG 3.23Å; D125-K129 PolarHBondContact O-N 3.46Å; D125-K270 WeakPolarHBondContact OD1-CD 3.49Å; D125-K270 IonicContact OD1-NZ 3.12Å; D125-K270 PolarHBondContact OD1-NZ 3.18Å; D125-K270 IonicContact OD2-NZ 3.02Å; D125-K270 PolarHBondContact OD2-NZ 3.07Å |
| 126 | A | 44.2 | Very low | 36 | Very low | 65 Ų | 65 | 104.8 Ų | 104.8 | 54% | 0.537 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.5 | -30 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D122 Y123 | D122-A126 PolarHBondContact O-N 3.48Å; Y123-A126 PolarHBondContact O-N 2.93Å |
| 127 | L | 42.2 | Very low | 36 | Very low | 103 Ų | 103 | 104.7 Ų | 104.7 | 54% | 0.539 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -84.9 | -24.6 | 177.8 | -70.9 | 168.5 | 0 | 0 | 0 | 114 | Y123 F124 D125 | Y123-L127 HydrophobicContact CD1-CD1 4.07Å; Y123-L127 HydrophobicContact CE1-CD1 3.62Å; Y123-L127 WeakPolarHBondContact O-CG 3.43Å; Y123-L127 PolarHBondContact O-N 3.09Å; F124-L127 HydrophobicContact CD1-CD1 4.18Å; F124-L127 CarbonylContact O-C 3.55Å; F124-L127 WeakPolarHBondContact O-CB 3.43Å; F124-L127 PolarHBondContact O-N 3.29Å; F124-L127 VanDerWaalsContact O-N 3.13Å; D125-L127 VanDerWaalsContact C-N 3.3Å |
| 128 | T | 47.6 | Very low | 35.9 | Very low | 66 Ų | 66 | 104 Ų | 104 | 41% | 0.405 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -84.4 | -23 | 175.3 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | F124 D125 K130 | F124-T128 WeakPolarHBondContact O-CG2 3.5Å; F124-T128 PolarHBondContact O-N 2.97Å; F124-T128 PolarHBondContact O-OG1 3.11Å; D125-T128 WeakPolarHBondContact CA-OG1 3.4Å; D125-T128 PolarHBondContact O-OG1 3.39Å; T128-K130 VanDerWaalsContact C-N 3.3Å; T128-K130 PolarHBondContact O-N 3.21Å |
| 129 | K | 37.7 | Very low | 35.8 | Very low | 157 Ų | 157 | 107 Ų | 107 | 68% | 0.683 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -66.5 | 83.8 | 170.8 | -78 | 169.6 | -175.3 | 170.4 | 0 | 111.1 | D125 P131 | D125-K129 WeakPolarHBondContact O-CD 3.42Å; D125-K129 VanDerWaalsContact O-CG 3.24Å; D125-K129 WeakPolarHBondContact O-CG 3.23Å; D125-K129 PolarHBondContact O-N 3.46Å; K129-P131 VanDerWaalsContact O-CD 3.25Å; K129-P131 WeakPolarHBondContact O-CD 3.41Å; K129-P131 VanDerWaalsContact O-N 3.14Å |
| 130 | K | 36.2 | Very low | 35.6 | Very low | 189 Ų | 189 | 108.1 Ų | 108.1 | 82% | 0.822 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 117.3 | 170.2 | -74.1 | -177.2 | 177.5 | 177.2 | 0 | 110.2 | T128 N132 | T128-K130 VanDerWaalsContact C-N 3.3Å; T128-K130 PolarHBondContact O-N 3.21Å; K130-N132 PolarHBondContact O-N 3.19Å |
| 131 | P | 33 | Very low | 35.7 | Very low | 114 Ų | 114 | 109.3 Ų | 109.3 | 74% | 0.74 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 126.2 | 166.7 | -16.6 | 31.3 | 0 | 0 | 0 | 108.4 | K129 P133 | K129-P131 VanDerWaalsContact O-CD 3.25Å; K129-P131 WeakPolarHBondContact O-CD 3.41Å; K129-P131 VanDerWaalsContact O-N 3.14Å; P131-P133 VanDerWaalsContact O-CD 3.32Å; P131-P133 WeakPolarHBondContact O-CD 3.37Å |
| 132 | N | 31.2 | Very low | 35.6 | Very low | 148 Ų | 148 | 111.1 Ų | 111.1 | 79% | 0.791 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 116.6 | 168.4 | -76 | -33.8 | 0 | 0 | 0 | 107.6 | K130 P134 | K130-N132 PolarHBondContact O-N 3.19Å; N132-P134 WeakPolarHBondContact O-CD 3.37Å |
| 133 | P | 30.2 | Very low | 35.3 | Very low | 115 Ų | 115 | 108.6 Ų | 108.6 | 75% | 0.747 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 117.8 | -162.2 | 29.2 | -34 | 0 | 0 | 0 | 112.4 | P131 | P131-P133 VanDerWaalsContact O-CD 3.32Å; P131-P133 WeakPolarHBondContact O-CD 3.37Å |
| 134 | P | 27.4 | Very low | 35.3 | Very low | 114 Ų | 114 | 115.3 Ų | 115.3 | 74% | 0.74 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 152.7 | 149.6 | 31.1 | -32 | 0 | 0 | 0 | 108.9 | N132 G136 | N132-P134 WeakPolarHBondContact O-CD 3.37Å; P134-G136 PolarHBondContact O-N 3.16Å |
| 135 | R | 26.4 | Very low | 34.7 | Very low | 258 Ų | 258 | 118.7 Ų | 118.7 | 97% | 0.974 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -61.5 | 127.9 | -174.1 | -74.1 | 176.2 | 169.2 | 173.5 | -5.2 | 112.3 | | |
| 136 | G | 25.7 | Very low | 34.2 | Very low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 63% | 0.632 | S | S | * | * | | | trans | 89.4 | 82.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | P134 | P134-G136 PolarHBondContact O-N 3.16Š|
| 137 | T | 28.7 | Very low | 33.8 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 70% | 0.699 | 64% | 0.637 | S | S | * | * | | | trans | -169.1 | 129.4 | 145.4 | 6.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 138 | S | 28.2 | Very low | 33.4 | Very low | 87 Ų | 87 | 122.8 Ų | 122.8 | 61% | 0.608 | 64% | 0.638 | S | S | * | * | | | trans | -92.2 | 105.2 | 179 | 22.5 | 0 | 0 | 0 | 0 | 110.7 | N140 | S138-N140 PolarHBondContact O-N 2.73Š|
| 139 | Y | 29.7 | Very low | 32.6 | Very low | 202 Ų | 202 | 127.5 Ų | 127.5 | 79% | 0.792 | 66% | 0.656 | S | S | * | * | | | trans | -78.4 | 103.1 | -179.8 | -74.1 | -85.3 | 0 | 0 | 0 | 111.9 | | |
| 140 | N | 32.4 | Very low | 32.2 | Very low | 71 Ų | 71 | 129 Ų | 129 | 38% | 0.38 | 66% | 0.659 | S | S | . | * | | | trans | -106.1 | 96.9 | -169.8 | -94.9 | -13.9 | 0 | 0 | 0 | 111.6 | S138 L142 F210 | S138-N140 PolarHBondContact O-N 2.73Å; N140-L142 PolarHBondContact O-N 3.45Å; N140-F210 HydrophobicContact CB-CD2 3.84Å; N140-F210 HydrophobicContact CB-CE1 4.37Å; N140-F210 HydrophobicContact CB-CE2 3.38Å; N140-F210 HydrophobicContact CB-CZ 3.66Å; N140-F210 VanDerWaalsContact CG-CE2 3.41Å; N140-F210 WeakPolarHBondContact OD1-CD2 3.15Å |
| 141 | I | 39.2 | Very low | 31.8 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 65% | 0.651 | 66% | 0.658 | S | S | * | * | | | trans | -86.6 | 102.3 | -172.1 | -58.2 | 175.2 | 0 | 0 | 0 | 110.7 | F210 | I141-F210 VanDerWaalsContact O-CE1 3.29Å; I141-F210 WeakPolarHBondContact O-CE1 3.45Å |
| 142 | L | 37.6 | Very low | 31.6 | Very low | 67 Ų | 67 | 131.7 Ų | 131.7 | 35% | 0.351 | 67% | 0.666 | S | S | . | * | | | trans | -42.4 | 144.2 | -162 | -96.9 | -177.5 | 0 | 0 | 0 | 118.4 | N140 I146 F210 Y509 | N140-L142 PolarHBondContact O-N 3.45Å; L142-I146 HydrophobicContact CD1-CD1 3.85Å; L142-I146 HydrophobicContact CD2-CD1 3.52Å; L142-I146 HydrophobicContact CD2-CG1 4.34Å; L142-I146 HydrophobicContact CG-CD1 4.39Å; L142-F210 HydrophobicContact CD2-CZ 4.26Å; L142-Y509 WeakPolarHBondContact CD1-OH 3.4Å; L142-Y509 WeakPolarHBondContact CG-OH 3.42Å |
| 143 | P | 35.2 | Very low | 31.3 | Very low | 31 Ų | 31 | 129.6 Ų | 129.6 | 20% | 0.201 | 66% | 0.663 | C | S | . | * | | | trans | -83.4 | 175.9 | 170 | -4 | 25.3 | 0 | 0 | 0 | 112.9 | E145 F210 | P143-E145 PolarHBondContact O-N 3.47Å; P143-E145 VanDerWaalsContact O-N 3.14Å; P143-F210 VanDerWaalsContact CD-CE1 3.49Å; P143-F210 HydrophobicContact CG-CD1 4.13Å; P143-F210 HydrophobicContact CG-CE1 3.79Å; P143-F210 HydrophobicContact CG-CZ 4.33Å |
| 144 | R | 36.6 | Very low | 31.3 | Very low | 229 Ų | 229 | 135.9 Ų | 135.9 | 86% | 0.864 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 2.8 | -177.3 | -89.8 | -177.1 | 160.6 | -151.8 | -7.6 | 116.5 | | |
| 145 | E | 34 | Very low | 31.4 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 58% | 0.584 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -10.9 | -155.6 | -66.1 | 173.5 | 138.6 | 0 | 0 | 115.3 | P143 I147 S148 | P143-E145 PolarHBondContact O-N 3.47Å; P143-E145 VanDerWaalsContact O-N 3.14Å; E145-I147 PolarHBondContact O-N 3.22Å; E145-S148 PolarHBondContact O-N 3.42Å; E145-S148 PolarHBondContact O-OG 3.37Å |
| 146 | I | 34.8 | Very low | 31.5 | Very low | 89 Ų | 89 | 134 Ų | 134 | 46% | 0.456 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -73.3 | -25.5 | -177.1 | -65.8 | -169.9 | 0 | 0 | 0 | 113.2 | L142 S148 H149 Y150 | L142-I146 HydrophobicContact CD1-CD1 3.85Å; L142-I146 HydrophobicContact CD2-CD1 3.52Å; L142-I146 HydrophobicContact CD2-CG1 4.34Å; L142-I146 HydrophobicContact CG-CD1 4.39Å; I146-S148 VanDerWaalsContact C-N 3.28Å; I146-S148 PolarHBondContact O-N 3.38Å; I146-H149 PolarHBondContact O-N 3.28Å; I146-Y150 HydrophobicContact CG2-CD2 4.3Å; I146-Y150 HydrophobicContact CG2-CE2 4.44Å |
| 147 | I | 35.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 64% | 0.641 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -70.1 | -25.5 | 179.8 | -61.7 | 179.1 | 0 | 0 | 0 | 111.8 | E145 H149 | E145-I147 PolarHBondContact O-N 3.22Å; I147-H149 VanDerWaalsContact C-N 3.27Å; I147-H149 PolarHBondContact O-N 3.37Å |
| 148 | S | 33.3 | Very low | 31.6 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 57% | 0.566 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -65.3 | -27.2 | 175.2 | -5.2 | 0 | 0 | 0 | 0 | 113.8 | E145 I146 | E145-S148 PolarHBondContact O-N 3.42Å; E145-S148 PolarHBondContact O-OG 3.37Å; I146-S148 VanDerWaalsContact C-N 3.28Å; I146-S148 PolarHBondContact O-N 3.38Å |
| 149 | H | 31.7 | Very low | 31.6 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -97.2 | -4.5 | -175.1 | -73.7 | -77.9 | 0 | 0 | 0 | 114.2 | I146 I147 | I146-H149 PolarHBondContact O-N 3.28Å; I147-H149 VanDerWaalsContact C-N 3.27Å; I147-H149 PolarHBondContact O-N 3.37Å |
| 150 | Y | 28.3 | Very low | 31.5 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 75% | 0.745 | 68% | 0.684 | S | S | * | * | | | trans | -106.4 | 50.9 | 171.5 | -80.9 | -85.3 | 0 | 0 | 0 | 112.3 | I146 M152 | I146-Y150 HydrophobicContact CG2-CD2 4.3Å; I146-Y150 HydrophobicContact CG2-CE2 4.44Å; Y150-M152 VanDerWaalsContact C-N 3.26Å; Y150-M152 PolarHBondContact O-N 3.16Å |
| 151 | Q | 28.5 | Very low | 31.2 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | | | trans | -65.6 | 92 | 154 | -77.8 | -165 | -7.6 | 0 | 0 | 108.7 | S153 | Q151-S153 PolarHBondContact O-N 3.14Š|
| 152 | M | 28.1 | Very low | 30.8 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 90% | 0.901 | 71% | 0.705 | S | S | * | * | | | trans | -70.3 | 106 | 172.4 | -144.6 | -177.7 | -173.6 | 0 | 0 | 108.7 | Y150 R154 | Y150-M152 VanDerWaalsContact C-N 3.26Å; Y150-M152 PolarHBondContact O-N 3.16Å; M152-R154 PolarHBondContact O-N 3.05Å |
| 153 | S | 26.7 | Very low | 30.3 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | | | trans | -57.9 | 95.9 | -173.2 | -56.3 | 0 | 0 | 0 | 0 | 112.9 | Q151 N155 | Q151-S153 PolarHBondContact O-N 3.14Å; S153-N155 PolarHBondContact O-N 2.81Å |
| 154 | R | 28.5 | Very low | 29.9 | Very low | 247 Ų | 247 | 148.3 Ų | 148.3 | 93% | 0.932 | 75% | 0.75 | S | S | * | * | | | trans | -69.1 | 114.7 | 154.2 | -79.4 | -171 | 172.6 | -176.2 | -1.7 | 107.1 | M152 | M152-R154 PolarHBondContact O-N 3.05Š|
| 155 | N | 30.4 | Very low | 29.4 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | | | trans | -58.8 | 150 | -169.1 | -83.6 | -30.8 | 0 | 0 | 0 | 113.3 | S153 | S153-N155 PolarHBondContact O-N 2.81Š|
| 156 | K | 27.8 | Very low | 29.2 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -57.3 | 137.4 | -178.9 | -57 | 170.9 | -177.6 | 174 | 0 | 111.5 | | |
| 157 | S | 29.5 | Very low | 28.9 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | trans | -129.9 | 135.2 | 141.9 | 53.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 158 | H | 28.1 | Very low | 28.8 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | | | trans | -93.7 | 133.2 | -174.9 | -75.2 | -128.4 | 0 | 0 | 0 | 110.7 | | |
| 159 | L | 28.4 | Very low | 28.5 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | trans | -164.9 | 117.6 | 146.4 | -88.5 | 129.2 | 0 | 0 | 0 | 105.2 | | |
| 160 | L | 26.3 | Very low | 28.5 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | | | | 60.6 | 123.9 | 74.8 | -63.6 | 169.1 | 0 | 0 | 0 | 111.1 | | |
| 161 | T | 28 | Very low | 28.5 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | cis | -135.9 | 175.9 | 9.1 | 55.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 162 | S | 29.1 | Very low | 28.4 | Very low | 98 Ų | 98 | 144 Ų | 144 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | cis | -161.2 | 146.7 | 27.6 | 43.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 163 | S | 26.7 | Very low | 28.4 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | trans | 13.1 | 145.4 | 144.7 | 62.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 164 | I | 28.5 | Very low | 28.8 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | | -146.2 | 161.5 | 51.3 | -77.2 | 174.9 | 0 | 0 | 0 | 113 | | |
| 165 | S | 26.1 | Very low | 28.8 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | trans | -44.6 | 169.1 | 177.2 | 58.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 166 | T | 30.2 | Very low | 29.1 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | | | cis | -144.7 | 145.3 | 30.4 | 47.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 167 | S | 27.7 | Very low | 29.3 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | | | trans | -107.9 | -172.8 | 149 | 70 | 0 | 0 | 0 | 0 | 107.6 | | |
| 168 | P | 33.6 | Very low | 29.6 | Very low | 103 Ų | 103 | 135 Ų | 135 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | | | cis | -148.6 | -173.7 | 27.6 | 45.4 | -23.8 | 0 | 0 | 0 | 118.1 | | |
| 169 | K | 27.4 | Very low | 29.8 | Very low | 187 Ų | 187 | 135.4 Ų | 135.4 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | trans | 24.8 | 131.4 | 141.8 | -63 | 167.5 | 179.9 | -177.4 | 0 | 120.8 | | |
| 170 | Q | 31.5 | Very low | 29.9 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | | -168.5 | 131.9 | 100.3 | -95.2 | 169.6 | -25.6 | 0 | 0 | 107.7 | | |
| 171 | Q | 27.3 | Very low | 30.4 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 58% | 0.584 | 74% | 0.739 | S | S | * | * | | | | 80.3 | 112.9 | 56.3 | -172 | -175.6 | -1.8 | 0 | 0 | 112.3 | | |
| 172 | F | 27.9 | Very low | 30.5 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 75% | 0.746 | 74% | 0.738 | S | S | * | * | | | | 177.5 | 147.8 | 116.9 | -98.6 | -67.3 | 0 | 0 | 0 | 112.6 | | |
| 173 | D | 28 | Very low | 30.8 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | | | trans | -87.4 | 157.4 | -177.1 | -46.3 | -96.7 | 0 | 0 | 0 | 113.1 | | |
| 174 | A | 35 | Very low | 31 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | | | trans | -149.2 | 123.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 175 | N | 28.4 | Very low | 31.3 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | trans | -77.9 | 160.7 | 172.9 | -68 | -58.4 | 0 | 0 | 0 | 111.3 | | |
| 176 | H | 35.8 | Very low | 31.6 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | trans | 155.4 | 149.8 | 141.6 | -82.3 | -44.2 | 0 | 0 | 0 | 110 | | |
| 177 | N | 32.9 | Very low | 31.9 | Very low | 118 Ų | 118 | 141 Ų | 141 | 63% | 0.631 | 75% | 0.75 | S | S | * | * | | | cis | -178 | 163.9 | -30.1 | -123.9 | 41.1 | 0 | 0 | 0 | 107.1 | | |
| 178 | N | 34.3 | Very low | 32.2 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 60% | 0.599 | 75% | 0.748 | S | S | * | * | | | trans | 68.2 | 115.3 | 163.6 | -64.4 | 47.7 | 0 | 0 | 0 | 115.5 | | |
| 179 | E | 32.5 | Very low | 32.2 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | | | | 75.5 | 149 | 85.9 | -71.9 | 171.2 | 152.5 | 0 | 0 | 114.5 | | |
| 180 | S | 30.4 | Very low | 32.5 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | cis | -175.8 | -165.1 | -29.4 | 57.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 181 | V | 36.4 | Very low | 32.5 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | | | trans | 80.4 | 132.6 | 167.3 | -172.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 182 | N | 30.6 | Very low | 32.6 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | -81 | 171.3 | 172.1 | -54.8 | -56.2 | 0 | 0 | 0 | 110.7 | | |
| 183 | D | 35 | Very low | 32.6 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | | -164.9 | 169.5 | 108.3 | -109.2 | -27.7 | 0 | 0 | 0 | 114.8 | | |
| 184 | Q | 31.9 | Very low | 32.4 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | -80.1 | 161.9 | -175 | -53.3 | 169.1 | 5.6 | 0 | 0 | 112.4 | | |
| 185 | I | 35.5 | Very low | 32.1 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 87% | 0.867 | 74% | 0.74 | S | S | * | * | | | | -178.5 | 151.5 | 119.2 | -93.5 | 156.7 | 0 | 0 | 0 | 111.6 | | |
| 186 | N | 32.4 | Very low | 32.1 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | | | trans | -88 | 174.1 | -173 | -87.2 | -42.9 | 0 | 0 | 0 | 115.2 | | |
| 187 | N | 35.6 | Very low | 31.7 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | | | trans | 104.2 | 100.1 | 145.5 | -65.7 | -39.3 | 0 | 0 | 0 | 120.4 | | |
| 188 | N | 32.9 | Very low | 31.4 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | | | | 72.4 | 146.2 | 119.1 | -75.3 | -17.3 | 0 | 0 | 0 | 123.3 | | |
| 189 | N | 34.7 | Very low | 31 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | | | trans | 85.2 | 102.8 | 149.3 | -67.9 | -12.7 | 0 | 0 | 0 | 120.6 | | |
| 190 | N | 34.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | | | | 86.9 | 107.4 | 125.6 | -61.7 | -21.8 | 0 | 0 | 0 | 120.5 | | |
| 191 | N | 30.9 | Very low | 30.5 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | | 57.8 | 96.3 | 128.6 | -61 | -28.3 | 0 | 0 | 0 | 118.6 | | |
| 192 | R | 28.9 | Very low | 30 | Very low | 226 Ų | 226 | 143.1 Ų | 143.1 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | | -173 | 137 | 91.4 | -102.1 | 177.3 | 164.1 | 174.4 | -4.5 | 115 | | |
| 193 | I | 27.5 | Very low | 30 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | | | trans | 70.3 | 107.6 | 141.5 | -62.9 | 165.1 | 0 | 0 | 0 | 118 | | |
| 194 | S | 25.7 | Very low | 29.7 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | | | trans | 41 | 101.1 | 153.5 | 63.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 195 | N | 26.9 | Very low | 29.6 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | | -165.5 | 124.9 | 90 | -87.4 | -26 | 0 | 0 | 0 | 111.7 | S197 | N195-S197 VanDerWaalsContact O-CB 3.23Å; N195-S197 WeakPolarHBondContact O-CB 3.49Å; N195-S197 PolarHBondContact O-N 2.99Å; N195-S197 PolarHBondContact O-OG 3.49Å |
| 196 | Y | 29.7 | Very low | 29.4 | Very low | 238 Ų | 238 | 140 Ų | 140 | 93% | 0.933 | 77% | 0.769 | S | S | * | * | | | trans | -66.6 | 116.9 | 154.8 | -62.4 | -90.8 | 0 | 0 | 0 | 105.4 | | |
| 197 | S | 27.2 | Very low | 29.4 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | | | cis | 64.2 | 80.9 | 24.4 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | N195 | N195-S197 VanDerWaalsContact O-CB 3.23Å; N195-S197 WeakPolarHBondContact O-CB 3.49Å; N195-S197 PolarHBondContact O-N 2.99Å; N195-S197 PolarHBondContact O-OG 3.49Å |
| 198 | S | 26.4 | Very low | 29.3 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | trans | 49 | 113.4 | 134.3 | 60.1 | 0 | 0 | 0 | 0 | 120 | | |
| 199 | S | 26 | Very low | 29.4 | Very low | 122 Ų | 122 | 137 Ų | 137 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | -153 | 119.9 | 132.9 | -82.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 200 | T | 24.4 | Very low | 29.5 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 90% | 0.896 | 74% | 0.74 | S | S | * | * | | | trans | -41.9 | 128.5 | 175.7 | 45.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 201 | S | 27.8 | Very low | 30 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | | | trans | -151.5 | 142.4 | 137.3 | 60.3 | 0 | 0 | 0 | 0 | 109.4 | N203 | S201-N203 PolarHBondContact O-N 3.35Š|
| 202 | N | 26.7 | Very low | 30.8 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 89% | 0.893 | 72% | 0.722 | S | S | * | * | | | trans | -81.5 | 109.5 | 176.7 | -62.4 | -38.5 | 0 | 0 | 0 | 108.7 | | |
| 203 | N | 29.4 | Very low | 32 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | | | trans | -151.5 | 129.6 | 171.8 | -82.5 | -48.8 | 0 | 0 | 0 | 112.5 | S201 | S201-N203 PolarHBondContact O-N 3.35Š|
| 204 | D | 28.7 | Very low | 33.1 | Very low | 149 Ų | 149 | 120.5 Ų | 120.5 | 80% | 0.797 | 69% | 0.692 | S | S | * | * | | | trans | 17.9 | 117.7 | 150 | -56.6 | -40.1 | 0 | 0 | 0 | 121.8 | | |
| 205 | S | 30.6 | Very low | 34.5 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | | | trans | -176.3 | 70.5 | 130.7 | 31.9 | 0 | 0 | 0 | 0 | 112.5 | E207 | S205-E207 PolarHBondContact O-N 2.88Š|
| 206 | N | 30.2 | Very low | 36.2 | Very low | 176 Ų | 176 | 119.6 Ų | 119.6 | 94% | 0.941 | 67% | 0.673 | S | S | * | * | | | trans | -76.6 | 65.6 | 170.9 | -78.3 | -32.9 | 0 | 0 | 0 | 111.6 | | |
| 207 | E | 34.1 | Very low | 37.8 | Very low | 144 Ų | 144 | 113.6 Ų | 113.6 | 67% | 0.673 | 65% | 0.65 | S | S | * | * | | | trans | -79.1 | 125.5 | 172.8 | -166.9 | 179.5 | -147.7 | 0 | 0 | 110.6 | S205 S209 | S205-E207 PolarHBondContact O-N 2.88Å; E207-S209 PolarHBondContact O-N 3.47Å; E207-S209 VanDerWaalsContact O-N 3.16Å |
| 208 | P | 32.9 | Very low | 39.7 | Very low | 89 Ų | 89 | 112.6 Ų | 112.6 | 58% | 0.578 | 64% | 0.637 | S | S | * | * | | | trans | -75.5 | 105.9 | -178.7 | 29.4 | -33.7 | 0 | 0 | 0 | 111.1 | F210 | P208-F210 VanDerWaalsContact O-CD2 3.32Å; P208-F210 WeakPolarHBondContact O-CD2 3.32Å; P208-F210 PolarHBondContact O-N 3.39Å |
| 209 | S | 33.6 | Very low | 41.8 | Very low | 115 Ų | 115 | 112.4 Ų | 112.4 | 80% | 0.804 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 127.7 | 173.3 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | E207 P211 | E207-S209 PolarHBondContact O-N 3.47Å; E207-S209 VanDerWaalsContact O-N 3.16Å; S209-P211 WeakPolarHBondContact O-CD 3.07Å |
| 210 | F | 38.1 | Very low | 44 | Very low | 52 Ų | 52 | 113.3 Ų | 113.3 | 23% | 0.228 | 61% | 0.611 | C | S | . | * | P | Polyproline II helix | trans | -79.6 | 127 | -177.2 | -86.8 | -109.3 | 0 | 0 | 0 | 111.2 | N140 I141 L142 P143 P208 V212 | N140-F210 HydrophobicContact CB-CD2 3.84Å; N140-F210 HydrophobicContact CB-CE1 4.37Å; N140-F210 HydrophobicContact CB-CE2 3.38Å; N140-F210 HydrophobicContact CB-CZ 3.66Å; N140-F210 VanDerWaalsContact CG-CE2 3.41Å; N140-F210 WeakPolarHBondContact OD1-CD2 3.15Å; I141-F210 VanDerWaalsContact O-CE1 3.29Å; I141-F210 WeakPolarHBondContact O-CE1 3.45Å; L142-F210 HydrophobicContact CD2-CZ 4.26Å; P143-F210 VanDerWaalsContact CD-CE1 3.49Å; P143-F210 HydrophobicContact CG-CD1 4.13Å; P143-F210 HydrophobicContact CG-CE1 3.79Å; P143-F210 HydrophobicContact CG-CZ 4.33Å; P208-F210 VanDerWaalsContact O-CD2 3.32Å; P208-F210 WeakPolarHBondContact O-CD2 3.32Å; P208-F210 PolarHBondContact O-N 3.39Å; F210-V212 PolarHBondContact O-N 3.22Å |
| 211 | P | 45.2 | Very low | 46.2 | Very low | 60 Ų | 60 | 111.9 Ų | 111.9 | 39% | 0.39 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 124.1 | 175.3 | -23.5 | 34.1 | 0 | 0 | 0 | 111.2 | S209 D213 Y214 | S209-P211 WeakPolarHBondContact O-CD 3.07Å; P211-D213 PolarHBondContact O-N 3.03Å; P211-D213 VanDerWaalsContact O-N 3.1Å; P211-Y214 WeakPolarHBondContact O-CB 3.46Å; P211-Y214 PolarHBondContact O-N 2.92Å |
| 212 | V | 45.9 | Very low | 48.3 | Very low | 108 Ų | 108 | 110.6 Ų | 110.6 | 66% | 0.655 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -55.1 | -30 | 174.5 | 178.1 | 0 | 0 | 0 | 0 | 111 | F210 Y214 F215 N216 | F210-V212 PolarHBondContact O-N 3.22Å; V212-Y214 VanDerWaalsContact C-N 3.26Å; V212-Y214 PolarHBondContact O-N 3.45Å; V212-F215 PolarHBondContact O-N 3.22Å; V212-N216 PolarHBondContact O-N 3.28Å; V212-N216 VanDerWaalsContact O-N 3.1Å; V212-N216 PolarHBondContact O-ND2 2.92Å |
| 213 | D | 55.6 | Low | 50.5 | Low | 124 Ų | 124 | 104.7 Ų | 104.7 | 66% | 0.663 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.3 | -28.5 | 174.2 | -63.5 | -53 | 0 | 0 | 0 | 114.3 | P211 N216 Y217 | P211-D213 PolarHBondContact O-N 3.03Å; P211-D213 VanDerWaalsContact O-N 3.1Å; D213-N216 PolarHBondContact O-N 3.09Å; D213-Y217 VanDerWaalsContact O-CB 3.29Å; D213-Y217 WeakPolarHBondContact O-CB 3.41Å; D213-Y217 PolarHBondContact O-N 3.1Å |
| 214 | Y | 50.5 | Low | 52.7 | Low | 66 Ų | 66 | 103.8 Ų | 103.8 | 26% | 0.259 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.4 | -40.1 | 177.2 | -175.1 | -122.5 | 0 | 0 | 0 | 111.9 | P211 V212 Y217 L218 | P211-Y214 WeakPolarHBondContact O-CB 3.46Å; P211-Y214 PolarHBondContact O-N 2.92Å; V212-Y214 VanDerWaalsContact C-N 3.26Å; V212-Y214 PolarHBondContact O-N 3.45Å; Y214-Y217 HydrophobicContact CD2-CD1 4.45Å; Y214-Y217 HydrophobicContact CE2-CD1 4.47Å; Y214-Y217 WeakPolarHBondContact O-CB 3.42Å; Y214-Y217 PolarHBondContact O-N 2.98Å; Y214-L218 HydrophobicContact CD1-CD1 4.21Å; Y214-L218 HydrophobicContact CE1-CD1 3.76Å; Y214-L218 HydrophobicContact CE1-CG 4.43Å; Y214-L218 HydrophobicContact CE2-CD1 4.39Å; Y214-L218 HydrophobicContact CE2-CD2 4.34Å; Y214-L218 HydrophobicContact CE2-CG 4.22Å; Y214-L218 WeakPolarHBondContact O-CG 3.5Å; Y214-L218 PolarHBondContact O-N 3.13Å |
| 215 | F | 54.7 | Low | 54.8 | Low | 148 Ų | 148 | 101.2 Ų | 101.2 | 65% | 0.649 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 172 | -175.3 | -93.9 | 0 | 0 | 0 | 111 | V212 Y217 L218 K219 | V212-F215 PolarHBondContact O-N 3.22Å; F215-Y217 VanDerWaalsContact C-N 3.32Å; F215-Y217 PolarHBondContact O-N 2.89Å; F215-L218 PolarHBondContact O-N 3.11Å; F215-K219 WeakPolarHBondContact O-CB 3.32Å; F215-K219 PolarHBondContact O-N 2.95Å |
| 216 | N | 63.6 | Low | 56.9 | Low | 63 Ų | 63 | 96.2 Ų | 96.2 | 34% | 0.337 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 174.3 | -72.9 | -33.1 | 0 | 0 | 0 | 112.6 | V212 D213 K220 | V212-N216 PolarHBondContact O-N 3.28Å; V212-N216 VanDerWaalsContact O-N 3.1Å; V212-N216 PolarHBondContact O-ND2 2.92Å; D213-N216 PolarHBondContact O-N 3.09Å; N216-K220 WeakPolarHBondContact O-CB 3.4Å; N216-K220 VanDerWaalsContact O-CG 3.27Å; N216-K220 WeakPolarHBondContact O-CG 3.34Å; N216-K220 PolarHBondContact O-N 3.01Å |
| 217 | Y | 63.1 | Low | 59 | Low | 111 Ų | 111 | 89.6 Ų | 89.6 | 44% | 0.435 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.7 | -48 | 173.8 | 173.6 | -95.3 | 0 | 0 | 0 | 111.7 | D213 Y214 F215 K219 K220 R221 | D213-Y217 VanDerWaalsContact O-CB 3.29Å; D213-Y217 WeakPolarHBondContact O-CB 3.41Å; D213-Y217 PolarHBondContact O-N 3.1Å; Y214-Y217 HydrophobicContact CD2-CD1 4.45Å; Y214-Y217 HydrophobicContact CE2-CD1 4.47Å; Y214-Y217 WeakPolarHBondContact O-CB 3.42Å; Y214-Y217 PolarHBondContact O-N 2.98Å; F215-Y217 VanDerWaalsContact C-N 3.32Å; F215-Y217 PolarHBondContact O-N 2.89Å; Y217-K219 PolarHBondContact O-N 3.1Å; Y217-K220 PolarHBondContact O-N 3.02Å; Y217-R221 VanDerWaalsContact O-CB 3.22Å; Y217-R221 WeakPolarHBondContact O-CB 3.48Å; Y217-R221 PolarHBondContact O-N 3.49Å; Y217-R221 PolarHBondContact OH-NH1 2.98Å |
| 218 | L | 65.8 | Low | 61 | Low | 73 Ų | 73 | 88.2 Ų | 88.2 | 38% | 0.382 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 177.8 | -70.1 | 179.2 | 0 | 0 | 0 | 111.8 | Y214 F215 R221 R222 | Y214-L218 HydrophobicContact CD1-CD1 4.21Å; Y214-L218 HydrophobicContact CE1-CD1 3.76Å; Y214-L218 HydrophobicContact CE1-CG 4.43Å; Y214-L218 HydrophobicContact CE2-CD1 4.39Å; Y214-L218 HydrophobicContact CE2-CD2 4.34Å; Y214-L218 HydrophobicContact CE2-CG 4.22Å; Y214-L218 WeakPolarHBondContact O-CG 3.5Å; Y214-L218 PolarHBondContact O-N 3.13Å; F215-L218 PolarHBondContact O-N 3.11Å; L218-R221 PolarHBondContact O-N 3.14Å; L218-R222 WeakPolarHBondContact O-CB 3.36Å; L218-R222 PolarHBondContact O-N 2.93Å |
| 219 | K | 71.5 | Confident | 63.2 | Low | 105 Ų | 105 | 88 Ų | 88 | 46% | 0.457 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.7 | -53.2 | 174.8 | -163.3 | -171.1 | -174.9 | -101.5 | 0 | 111.3 | F215 Y217 R221 R222 E223 | F215-K219 WeakPolarHBondContact O-CB 3.32Å; F215-K219 PolarHBondContact O-N 2.95Å; Y217-K219 PolarHBondContact O-N 3.1Å; K219-R221 VanDerWaalsContact C-N 3.26Å; K219-R221 PolarHBondContact O-N 3.27Å; K219-R222 WeakPolarHBondContact O-CB 3.47Å; K219-R222 PolarHBondContact O-N 3.4Å; K219-E223 WeakPolarHBondContact CE-OE1 3.29Å; K219-E223 WeakPolarHBondContact CG-OE1 3.45Å; K219-E223 IonicContact NZ-OE1 3.57Å; K219-E223 PolarHBondContact NZ-OE1 3.46Å; K219-E223 WeakPolarHBondContact O-CG 2.99Å; K219-E223 PolarHBondContact O-N 3.14Å |
| 220 | K | 72.3 | Confident | 65.5 | Low | 141 Ų | 141 | 82.6 Ų | 82.6 | 61% | 0.613 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.9 | -35.4 | 176.4 | -73.3 | 172.3 | -179.4 | 175.5 | 0 | 113 | N216 Y217 E223 F224 | N216-K220 WeakPolarHBondContact O-CB 3.4Å; N216-K220 VanDerWaalsContact O-CG 3.27Å; N216-K220 WeakPolarHBondContact O-CG 3.34Å; N216-K220 PolarHBondContact O-N 3.01Å; Y217-K220 PolarHBondContact O-N 3.02Å; K220-E223 WeakPolarHBondContact CA-OE2 3.38Å; K220-F224 VanDerWaalsContact O-CB 3.29Å; K220-F224 WeakPolarHBondContact O-CB 3.12Å; K220-F224 PolarHBondContact O-N 2.68Å |
| 221 | R | 70.6 | Confident | 67.3 | Low | 117 Ų | 117 | 81.3 Ų | 81.3 | 44% | 0.442 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.7 | -34.9 | 175.8 | -175.5 | 170.5 | 175.6 | 140.5 | -0.8 | 112.1 | Y217 L218 K219 L225 | Y217-R221 VanDerWaalsContact O-CB 3.22Å; Y217-R221 WeakPolarHBondContact O-CB 3.48Å; Y217-R221 PolarHBondContact O-N 3.49Å; Y217-R221 PolarHBondContact OH-NH1 2.98Å; L218-R221 PolarHBondContact O-N 3.14Å; K219-R221 VanDerWaalsContact C-N 3.26Å; K219-R221 PolarHBondContact O-N 3.27Å; R221-L225 HydrophobicContact CG-CD1 3.99Å; R221-L225 HydrophobicContact CG-CG 4.48Å; R221-L225 VanDerWaalsContact O-CB 3.31Å; R221-L225 WeakPolarHBondContact O-CB 3.46Å; R221-L225 WeakPolarHBondContact O-CD1 3.45Å; R221-L225 WeakPolarHBondContact O-CG 3.48Å; R221-L225 PolarHBondContact O-N 3.21Å |
| 222 | R | 71.4 | Confident | 68.9 | Low | 70 Ų | 70 | 83.5 Ų | 83.5 | 26% | 0.264 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.1 | -51.9 | 172.6 | -171.7 | 179.9 | -178.9 | -143.6 | -6.5 | 110.6 | L218 K219 F224 L225 T226 V271 | L218-R222 WeakPolarHBondContact O-CB 3.36Å; L218-R222 PolarHBondContact O-N 2.93Å; K219-R222 WeakPolarHBondContact O-CB 3.47Å; K219-R222 PolarHBondContact O-N 3.4Å; R222-F224 PolarHBondContact O-N 3.17Å; R222-L225 PolarHBondContact O-N 3.33Å; R222-T226 WeakPolarHBondContact O-CB 3.06Å; R222-T226 PolarHBondContact O-N 3.37Å; R222-T226 PolarHBondContact O-OG1 3.46Å; R222-V271 HydrophobicContact CG-CG2 3.89Å |
| 223 | E | 72.9 | Confident | 70.7 | Confident | 42 Ų | 42 | 81.3 Ų | 81.3 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -47.7 | -61 | 172.6 | -69 | 160.4 | -178.8 | 0 | 0 | 110.6 | K219 K220 L225 T226 D227 V271 | K219-E223 WeakPolarHBondContact CE-OE1 3.29Å; K219-E223 WeakPolarHBondContact CG-OE1 3.45Å; K219-E223 IonicContact NZ-OE1 3.57Å; K219-E223 PolarHBondContact NZ-OE1 3.46Å; K219-E223 WeakPolarHBondContact O-CG 2.99Å; K219-E223 PolarHBondContact O-N 3.14Å; K220-E223 WeakPolarHBondContact CA-OE2 3.38Å; E223-L225 VanDerWaalsContact C-N 3.35Å; E223-L225 PolarHBondContact O-N 2.86Å; E223-T226 PolarHBondContact O-N 3.01Å; E223-D227 WeakPolarHBondContact O-CB 3.43Å; E223-D227 PolarHBondContact O-N 3.2Å; E223-V271 HydrophobicContact CB-CG1 4.28Å; E223-V271 HydrophobicContact CG-CG1 3.7Å |
| 224 | F | 74.8 | Confident | 71.8 | Confident | 114 Ų | 114 | 76.1 Ų | 76.1 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.2 | -39.7 | 180 | 175.7 | -96.3 | 0 | 0 | 0 | 114.5 | K220 R222 R228 | K220-F224 VanDerWaalsContact O-CB 3.29Å; K220-F224 WeakPolarHBondContact O-CB 3.12Å; K220-F224 PolarHBondContact O-N 2.68Å; R222-F224 PolarHBondContact O-N 3.17Å; F224-R228 WeakPolarHBondContact O-CB 3.47Å; F224-R228 PolarHBondContact O-N 3.29Å; F224-R228 VanDerWaalsContact O-N 3.14Å |
| 225 | L | 74.3 | Confident | 73.2 | Confident | 94 Ų | 94 | 76.6 Ų | 76.6 | 49% | 0.492 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.4 | -40.1 | 179.8 | -76.2 | 172.1 | 0 | 0 | 0 | 111.8 | R221 R222 E223 R228 L229 | R221-L225 HydrophobicContact CG-CD1 3.99Å; R221-L225 HydrophobicContact CG-CG 4.48Å; R221-L225 VanDerWaalsContact O-CB 3.31Å; R221-L225 WeakPolarHBondContact O-CB 3.46Å; R221-L225 WeakPolarHBondContact O-CD1 3.45Å; R221-L225 WeakPolarHBondContact O-CG 3.48Å; R221-L225 PolarHBondContact O-N 3.21Å; R222-L225 PolarHBondContact O-N 3.33Å; E223-L225 VanDerWaalsContact C-N 3.35Å; E223-L225 PolarHBondContact O-N 2.86Å; L225-R228 PolarHBondContact O-N 3.06Å; L225-L229 WeakPolarHBondContact O-CB 3.4Å; L225-L229 PolarHBondContact O-N 3.48Å |
| 226 | T | 74.4 | Confident | 74.6 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 6% | 0.055 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.9 | -43.2 | 179.7 | -62 | 0 | 0 | 0 | 0 | 111.5 | R222 E223 R228 L229 L230 A267 F268 V271 | R222-T226 WeakPolarHBondContact O-CB 3.06Å; R222-T226 PolarHBondContact O-N 3.37Å; R222-T226 PolarHBondContact O-OG1 3.46Å; E223-T226 PolarHBondContact O-N 3.01Å; T226-R228 PolarHBondContact O-N 3.05Å; T226-L229 PolarHBondContact O-N 2.93Å; T226-L230 PolarHBondContact O-N 3.37Å; T226-A267 HydrophobicContact CG2-CB 4.09Å; T226-F268 VanDerWaalsContact CG2-CA 3.4Å; T226-F268 HydrophobicContact CG2-CB 3.86Å; T226-F268 HydrophobicContact CG2-CD2 4.42Å; T226-V271 HydrophobicContact CG2-CG2 4.36Å |
| 227 | D | 73.8 | Confident | 75.5 | Confident | 37 Ų | 37 | 68 Ų | 68 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53.2 | -44 | 170.1 | -64.9 | -4.2 | 0 | 0 | 0 | 110.9 | E223 S231 F268 H272 | E223-D227 WeakPolarHBondContact O-CB 3.43Å; E223-D227 PolarHBondContact O-N 3.2Å; D227-S231 WeakPolarHBondContact O-CB 3.36Å; D227-S231 PolarHBondContact O-N 3.49Å; D227-F268 VanDerWaalsContact OD1-CE2 3.24Å; D227-F268 WeakPolarHBondContact OD1-CE2 3.24Å; D227-H272 IonicContact OD1-CD2 3.74Å; D227-H272 IonicContact OD1-CE1 3.5Å; D227-H272 PolarHBondContact OD1-CE1 3.38Å; D227-H272 IonicContact OD1-NE2 2.66Å; D227-H272 PolarHBondContact OD1-NE2 3.44Å |
| 228 | R | 76.3 | Confident | 76.4 | Confident | 115 Ų | 115 | 66.2 Ų | 66.2 | 43% | 0.434 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -76.1 | -29.3 | -176.2 | -165.5 | 48.4 | 156.3 | -178.8 | -11.3 | 113.2 | F224 L225 T226 S231 R232 | F224-R228 WeakPolarHBondContact O-CB 3.47Å; F224-R228 PolarHBondContact O-N 3.29Å; F224-R228 VanDerWaalsContact O-N 3.14Å; L225-R228 PolarHBondContact O-N 3.06Å; T226-R228 PolarHBondContact O-N 3.05Å; R228-S231 PolarHBondContact NH1-OG 3.22Å; R228-R232 WeakPolarHBondContact O-CG 3.5Å; R228-R232 PolarHBondContact O-N 3.23Å |
| 229 | L | 78.1 | Confident | 77.2 | Confident | 83 Ų | 83 | 63.8 Ų | 63.8 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.6 | -54.3 | 171.7 | -170.4 | 77.5 | 0 | 0 | 0 | 109.9 | L225 T226 S231 R232 Y233 A264 | L225-L229 WeakPolarHBondContact O-CB 3.4Å; L225-L229 PolarHBondContact O-N 3.48Å; T226-L229 PolarHBondContact O-N 2.93Å; L229-S231 PolarHBondContact O-N 2.97Å; L229-R232 PolarHBondContact O-N 2.8Å; L229-R232 VanDerWaalsContact O-N 3.09Å; L229-Y233 HydrophobicContact CD1-CD2 4.41Å; L229-Y233 HydrophobicContact CD1-CE2 3.84Å; L229-Y233 HydrophobicContact CD2-CE2 4.38Å; L229-Y233 HydrophobicContact CG-CD2 4.01Å; L229-Y233 HydrophobicContact CG-CE2 3.82Å; L229-Y233 WeakPolarHBondContact O-CD2 3.48Å; L229-Y233 PolarHBondContact O-N 3.04Å; L229-A264 HydrophobicContact CD2-CB 3.82Å; L229-A264 HydrophobicContact CG-CB 4.1Å |
| 230 | L | 81.8 | Confident | 77.6 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.4 | -49.1 | -179.8 | 179.3 | 56.4 | 0 | 0 | 0 | 111.3 | T226 R232 Y233 T234 Y261 A264 L265 F268 I284 | T226-L230 PolarHBondContact O-N 3.37Å; L230-R232 PolarHBondContact O-N 2.72Å; L230-Y233 PolarHBondContact O-N 3.07Å; L230-T234 PolarHBondContact O-N 3.25Å; L230-T234 PolarHBondContact O-OG1 3.38Å; L230-T234 VanDerWaalsContact O-OG1 3.09Å; L230-Y261 HydrophobicContact CD1-CD2 3.98Å; L230-Y261 HydrophobicContact CD1-CE2 3.68Å; L230-A264 HydrophobicContact CB-CB 4.49Å; L230-A264 HydrophobicContact CD1-CB 4.39Å; L230-L265 HydrophobicContact CD1-CB 4.06Å; L230-L265 HydrophobicContact CD1-CD1 3.97Å; L230-L265 HydrophobicContact CD2-CD1 3.79Å; L230-F268 HydrophobicContact CD2-CB 3.69Å; L230-F268 HydrophobicContact CD2-CD1 3.63Å; L230-F268 HydrophobicContact CD2-CD2 3.72Å; L230-F268 HydrophobicContact CD2-CE1 4.08Å; L230-F268 HydrophobicContact CD2-CE2 4.18Å; L230-F268 HydrophobicContact CD2-CG 3.42Å; L230-F268 VanDerWaalsContact CD2-CG 3.42Å; L230-F268 HydrophobicContact CD2-CZ 4.35Å; L230-I284 HydrophobicContact CD2-CD1 4.44Å; L230-I284 HydrophobicContact CD2-CG2 4.12Å; L230-I284 HydrophobicContact CG-CG2 4.42Å |
| 231 | S | 77.7 | Confident | 78 | Confident | 24 Ų | 24 | 55.1 Ų | 55.1 | 17% | 0.168 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.5 | -32.2 | 175.2 | 165.8 | 0 | 0 | 0 | 0 | 113.8 | D227 R228 L229 E235 | D227-S231 WeakPolarHBondContact O-CB 3.36Å; D227-S231 PolarHBondContact O-N 3.49Å; R228-S231 PolarHBondContact NH1-OG 3.22Å; L229-S231 PolarHBondContact O-N 2.97Å; S231-E235 PolarHBondContact O-N 3.49Å |
| 232 | R | 77.1 | Confident | 78.4 | Confident | 106 Ų | 106 | 52 Ų | 52 | 40% | 0.4 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -85.3 | -32.8 | 178.2 | -72.8 | -57.4 | -145.3 | 171.3 | 16.7 | 113.3 | R228 L229 L230 E235 L236 | R228-R232 WeakPolarHBondContact O-CG 3.5Å; R228-R232 PolarHBondContact O-N 3.23Å; L229-R232 PolarHBondContact O-N 2.8Å; L229-R232 VanDerWaalsContact O-N 3.09Å; L230-R232 PolarHBondContact O-N 2.72Å; R232-E235 WeakPolarHBondContact CD-OE2 3.36Å; R232-E235 IonicContact CZ-OE2 2.72Å; R232-E235 IonicContact NE-OE2 3.29Å; R232-E235 IonicContact NH1-OE1 3.14Å; R232-E235 PolarHBondContact NH1-OE1 2.99Å; R232-E235 IonicContact NH1-OE2 3.96Å; R232-E235 PolarHBondContact NH1-OE2 2.76Å; R232-L236 WeakPolarHBondContact O-CB 3.38Å; R232-L236 PolarHBondContact O-N 2.68Å |
| 233 | Y | 83.6 | Confident | 78.5 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.5 | -38.7 | 170.6 | -78 | -69.7 | 0 | 0 | 0 | 111.5 | L229 L230 E235 L236 I237 A260 A264 | L229-Y233 HydrophobicContact CD1-CD2 4.41Å; L229-Y233 HydrophobicContact CD1-CE2 3.84Å; L229-Y233 HydrophobicContact CD2-CE2 4.38Å; L229-Y233 HydrophobicContact CG-CD2 4.01Å; L229-Y233 HydrophobicContact CG-CE2 3.82Å; L229-Y233 WeakPolarHBondContact O-CD2 3.48Å; L229-Y233 PolarHBondContact O-N 3.04Å; L230-Y233 PolarHBondContact O-N 3.07Å; Y233-E235 PolarHBondContact O-N 2.93Å; Y233-L236 HydrophobicContact CD1-CD2 4.22Å; Y233-L236 HydrophobicContact CE1-CD2 4.46Å; Y233-L236 PolarHBondContact O-N 2.66Å; Y233-L236 VanDerWaalsContact O-N 3.17Å; Y233-I237 WeakPolarHBondContact O-CB 3.42Å; Y233-I237 VanDerWaalsContact O-CG1 3.23Å; Y233-I237 WeakPolarHBondContact O-CG1 3.33Å; Y233-I237 PolarHBondContact O-N 2.99Å; Y233-A260 HydrophobicContact CD1-CB 4.31Å; Y233-A260 HydrophobicContact CE1-CB 3.54Å; Y233-A260 HydrophobicContact CE2-CB 4.41Å; Y233-A264 HydrophobicContact CD2-CB 3.68Å; Y233-A264 HydrophobicContact CE2-CB 4.21Å |
| 234 | T | 79.7 | Confident | 78.6 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 171.7 | -48.9 | 0 | 0 | 0 | 0 | 111.7 | L230 L236 I237 K238 | L230-T234 PolarHBondContact O-N 3.25Å; L230-T234 PolarHBondContact O-OG1 3.38Å; L230-T234 VanDerWaalsContact O-OG1 3.09Å; T234-L236 VanDerWaalsContact C-N 3.31Å; T234-L236 PolarHBondContact O-N 2.92Å; T234-I237 PolarHBondContact O-N 2.77Å; T234-K238 WeakPolarHBondContact O-CG 3.29Å; T234-K238 PolarHBondContact O-N 2.85Å |
| 235 | E | 80.5 | Confident | 78.8 | Confident | 76 Ų | 76 | 52.4 Ų | 52.4 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.9 | -37.9 | 175.7 | -173.1 | 179.9 | -178 | 0 | 0 | 112 | S231 R232 Y233 L239 R309 | S231-E235 PolarHBondContact O-N 3.49Å; R232-E235 WeakPolarHBondContact CD-OE2 3.36Å; R232-E235 IonicContact CZ-OE2 2.72Å; R232-E235 IonicContact NE-OE2 3.29Å; R232-E235 IonicContact NH1-OE1 3.14Å; R232-E235 PolarHBondContact NH1-OE1 2.99Å; R232-E235 IonicContact NH1-OE2 3.96Å; R232-E235 PolarHBondContact NH1-OE2 2.76Å; Y233-E235 PolarHBondContact O-N 2.93Å; E235-L239 WeakPolarHBondContact O-CG 3.36Å; E235-R309 IonicContact OE1-NH2 3.6Å |
| 236 | L | 83.6 | Confident | 78.7 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.8 | -45.5 | 177 | 179.9 | 63.6 | 0 | 0 | 0 | 112.7 | R232 Y233 T234 K238 L239 L240 H257 I330 L332 | R232-L236 WeakPolarHBondContact O-CB 3.38Å; R232-L236 PolarHBondContact O-N 2.68Å; Y233-L236 HydrophobicContact CD1-CD2 4.22Å; Y233-L236 HydrophobicContact CE1-CD2 4.46Å; Y233-L236 PolarHBondContact O-N 2.66Å; Y233-L236 VanDerWaalsContact O-N 3.17Å; T234-L236 VanDerWaalsContact C-N 3.31Å; T234-L236 PolarHBondContact O-N 2.92Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 3.28Å; L236-L239 PolarHBondContact O-N 3.46Å; L236-L240 HydrophobicContact CD1-CD1 4.16Å; L236-L240 HydrophobicContact CD1-CG 4.21Å; L236-L240 HydrophobicContact CD2-CD1 4.38Å; L236-L240 HydrophobicContact CG-CD1 3.79Å; L236-L240 HydrophobicContact CG-CG 4.29Å; L236-L240 WeakPolarHBondContact O-CB 3.43Å; L236-L240 VanDerWaalsContact O-CG 3.29Å; L236-L240 WeakPolarHBondContact O-CG 3.16Å; L236-L240 PolarHBondContact O-N 3.1Å; L236-H257 HydrophobicContact CD2-CB 3.97Å; L236-I330 HydrophobicContact CD1-CD1 3.88Å; L236-I330 HydrophobicContact CD1-CG2 4.39Å; L236-I330 HydrophobicContact CD2-CD1 3.83Å; L236-I330 HydrophobicContact CG-CD1 4.31Å; L236-L332 HydrophobicContact CD1-CD2 3.89Å |
| 237 | I | 83 | Confident | 78.8 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -39.9 | -177.8 | -67.7 | -70.1 | 0 | 0 | 0 | 111 | Y233 T234 L239 L240 N241 T258 Y261 | Y233-I237 WeakPolarHBondContact O-CB 3.42Å; Y233-I237 VanDerWaalsContact O-CG1 3.23Å; Y233-I237 WeakPolarHBondContact O-CG1 3.33Å; Y233-I237 PolarHBondContact O-N 2.99Å; T234-I237 PolarHBondContact O-N 2.77Å; I237-L239 PolarHBondContact O-N 3.25Å; I237-L240 HydrophobicContact CD1-CD1 4.4Å; I237-L240 PolarHBondContact O-N 3.24Å; I237-N241 WeakPolarHBondContact O-CB 3.24Å; I237-N241 PolarHBondContact O-N 2.92Å; I237-N241 PolarHBondContact O-OD1 3.24Å; I237-T258 HydrophobicContact CD1-CG2 3.71Å; I237-Y261 HydrophobicContact CG1-CD1 4.41Å; I237-Y261 HydrophobicContact CG1-CD2 4.26Å; I237-Y261 HydrophobicContact CG1-CG 3.91Å |
| 238 | K | 82.1 | Confident | 79 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 174.9 | -69.7 | -171.2 | 179 | -148 | 0 | 112.6 | T234 L236 L240 N241 E242 N287 D288 | T234-K238 WeakPolarHBondContact O-CG 3.29Å; T234-K238 PolarHBondContact O-N 2.85Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 3.28Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 3.43Å; K238-N241 PolarHBondContact O-N 2.94Å; K238-E242 WeakPolarHBondContact O-CB 3.39Å; K238-E242 PolarHBondContact O-N 3.42Å; K238-N287 PolarHBondContact NZ-O 2.84Å; K238-D288 IonicContact NZ-OD1 3.87Å; K238-D288 PolarHBondContact NZ-OD1 2.04Å |
| 239 | L | 81.1 | Confident | 78.7 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 12% | 0.12 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.2 | -32.1 | 177 | -65.3 | 172.2 | 0 | 0 | 0 | 112.9 | E235 L236 I237 E242 E243 L332 V336 L340 | E235-L239 WeakPolarHBondContact O-CG 3.36Å; L236-L239 PolarHBondContact O-N 3.46Å; I237-L239 PolarHBondContact O-N 3.25Å; L239-E242 WeakPolarHBondContact CD2-OE2 3.49Å; L239-E243 PolarHBondContact O-N 2.91Å; L239-E243 VanDerWaalsContact O-N 3.12Å; L239-L332 HydrophobicContact CD1-CD1 4.15Å; L239-V336 HydrophobicContact CB-CG1 3.81Å; L239-V336 HydrophobicContact CD1-CG1 4.11Å; L239-V336 HydrophobicContact CD2-CG1 4.12Å; L239-V336 HydrophobicContact CG-CG1 4.23Å; L239-V336 WeakPolarHBondContact O-CG2 3.37Å; L239-L340 HydrophobicContact CD1-CD1 4.13Å; L239-L340 HydrophobicContact CD1-CD2 4.21Å; L239-L340 HydrophobicContact CD1-CG 4.3Å; L239-L340 HydrophobicContact CD2-CD2 3.9Å; L239-L340 HydrophobicContact CD2-CG 3.96Å |
| 240 | L | 81.2 | Confident | 78.7 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.1 | -35 | 175.5 | -74 | 173.5 | 0 | 0 | 0 | 112.4 | L236 I237 K238 L244 P251 Y254 H257 | L236-L240 HydrophobicContact CD1-CD1 4.16Å; L236-L240 HydrophobicContact CD1-CG 4.21Å; L236-L240 HydrophobicContact CD2-CD1 4.38Å; L236-L240 HydrophobicContact CG-CD1 3.79Å; L236-L240 HydrophobicContact CG-CG 4.29Å; L236-L240 WeakPolarHBondContact O-CB 3.43Å; L236-L240 VanDerWaalsContact O-CG 3.29Å; L236-L240 WeakPolarHBondContact O-CG 3.16Å; L236-L240 PolarHBondContact O-N 3.1Å; I237-L240 HydrophobicContact CD1-CD1 4.4Å; I237-L240 PolarHBondContact O-N 3.24Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 3.43Å; L240-L244 WeakPolarHBondContact O-CB 3.44Å; L240-L244 PolarHBondContact O-N 3.18Å; L240-P251 HydrophobicContact CD2-CB 3.65Å; L240-P251 HydrophobicContact CD2-CG 3.77Å; L240-Y254 HydrophobicContact CB-CD2 3.93Å; L240-Y254 HydrophobicContact CB-CE2 4.09Å; L240-H257 HydrophobicContact CD1-CB 3.56Å |
| 241 | N | 80.5 | Confident | 78.5 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.2 | -44.4 | 172.3 | -66.6 | 3 | 0 | 0 | 0 | 110.8 | I237 K238 E243 L244 E245 Y254 | I237-N241 WeakPolarHBondContact O-CB 3.24Å; I237-N241 PolarHBondContact O-N 2.92Å; I237-N241 PolarHBondContact O-OD1 3.24Å; K238-N241 PolarHBondContact O-N 2.94Å; N241-E243 VanDerWaalsContact C-N 3.27Å; N241-E243 PolarHBondContact O-N 3.49Å; N241-L244 WeakPolarHBondContact O-CB 3.48Å; N241-L244 PolarHBondContact O-N 3.34Å; N241-L244 VanDerWaalsContact O-N 3.07Å; N241-E245 WeakPolarHBondContact O-CG 3.37Å; N241-E245 PolarHBondContact O-N 3.37Å; N241-Y254 PolarHBondContact OD1-OH 3.45Å |
| 242 | E | 78.3 | Confident | 78.4 | Confident | 50 Ų | 50 | 63.6 Ų | 63.6 | 23% | 0.234 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.8 | -41.3 | 174.8 | -163.4 | -172.8 | -172.5 | 0 | 0 | 111.1 | K238 L239 L246 L339 S343 | K238-E242 WeakPolarHBondContact O-CB 3.39Å; K238-E242 PolarHBondContact O-N 3.42Å; L239-E242 WeakPolarHBondContact CD2-OE2 3.49Å; E242-L246 HydrophobicContact CG-CD1 4.14Å; E242-L246 WeakPolarHBondContact O-CB 3.37Å; E242-L246 WeakPolarHBondContact O-CD1 3.38Å; E242-L246 WeakPolarHBondContact O-CG 3.47Å; E242-L246 PolarHBondContact O-N 2.85Å; E242-L246 VanDerWaalsContact O-N 3.13Å; E242-L339 HydrophobicContact CG-CD1 4.02Å; E242-L339 HydrophobicContact CG-CD2 4.42Å; E242-S343 PolarHBondContact OE1-OG 2.87Å |
| 243 | E | 73 | Confident | 78.4 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 9% | 0.093 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.2 | -39.2 | 173.6 | -175.4 | 167.3 | -153.1 | 0 | 0 | 113.5 | L239 N241 L246 T247 P251 S333 S335 V336 | L239-E243 PolarHBondContact O-N 2.91Å; L239-E243 VanDerWaalsContact O-N 3.12Å; N241-E243 VanDerWaalsContact C-N 3.27Å; N241-E243 PolarHBondContact O-N 3.49Å; E243-L246 PolarHBondContact O-N 3.16Å; E243-T247 HydrophobicContact CG-CG2 3.92Å; E243-T247 WeakPolarHBondContact O-CB 3.45Å; E243-T247 WeakPolarHBondContact O-CG2 3.44Å; E243-T247 PolarHBondContact O-N 3.28Å; E243-T247 PolarHBondContact O-OG1 3.49Å; E243-P251 HydrophobicContact CB-CG 3.84Å; E243-P251 HydrophobicContact CG-CG 3.79Å; E243-P251 WeakPolarHBondContact OE2-CG 3.43Å; E243-S333 WeakPolarHBondContact OE1-CB 3.46Å; E243-S333 PolarHBondContact OE1-OG 3.34Å; E243-S333 WeakPolarHBondContact OE2-CB 3.49Å; E243-S333 PolarHBondContact OE2-OG 3.29Å; E243-S335 WeakPolarHBondContact OE1-CB 3.37Å; E243-S335 PolarHBondContact OE1-OG 3.39Å; E243-V336 HydrophobicContact CB-CG2 3.71Å; E243-V336 HydrophobicContact CG-CG2 4.32Å; E243-V336 VanDerWaalsContact OE2-CG2 3.31Å; E243-V336 WeakPolarHBondContact OE2-CG2 3.39Å |
| 244 | L | 76.7 | Confident | 78.2 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.5 | 170.5 | 61.9 | 0 | 0 | 0 | 111.4 | L240 N241 G248 P250 Y254 | L240-L244 WeakPolarHBondContact O-CB 3.44Å; L240-L244 PolarHBondContact O-N 3.18Å; N241-L244 WeakPolarHBondContact O-CB 3.48Å; N241-L244 PolarHBondContact O-N 3.34Å; N241-L244 VanDerWaalsContact O-N 3.07Å; L244-G248 VanDerWaalsContact O-CA 3.28Å; L244-G248 WeakPolarHBondContact O-CA 3.32Å; L244-G248 PolarHBondContact O-N 3.16Å; L244-P250 HydrophobicContact CD1-CB 4.37Å; L244-Y254 HydrophobicContact CD2-CE2 4.35Å |
| 245 | E | 77.6 | Confident | 78.4 | Confident | 161 Ų | 161 | 68.5 Ų | 68.5 | 75% | 0.752 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 177.6 | -73.1 | 173.7 | -161.9 | 0 | 0 | 112.4 | N241 | N241-E245 WeakPolarHBondContact O-CG 3.37Å; N241-E245 PolarHBondContact O-N 3.37Å |
| 246 | L | 72.5 | Confident | 78.4 | Confident | 115 Ų | 115 | 70.8 Ų | 70.8 | 60% | 0.602 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -85.9 | -20.9 | -175.5 | -72.3 | 167.7 | 0 | 0 | 0 | 114.9 | E242 E243 L339 | E242-L246 HydrophobicContact CG-CD1 4.14Å; E242-L246 WeakPolarHBondContact O-CB 3.37Å; E242-L246 WeakPolarHBondContact O-CD1 3.38Å; E242-L246 WeakPolarHBondContact O-CG 3.47Å; E242-L246 PolarHBondContact O-N 2.85Å; E242-L246 VanDerWaalsContact O-N 3.13Å; E243-L246 PolarHBondContact O-N 3.16Å; L246-L339 HydrophobicContact CD1-CD1 3.56Å; L246-L339 HydrophobicContact CD1-CD2 3.27Å; L246-L339 HydrophobicContact CD1-CG 4.01Å |
| 247 | T | 77.2 | Confident | 78.3 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 37% | 0.368 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -103.8 | -22.5 | 176.6 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | E243 Y249 | E243-T247 HydrophobicContact CG-CG2 3.92Å; E243-T247 WeakPolarHBondContact O-CB 3.45Å; E243-T247 WeakPolarHBondContact O-CG2 3.44Å; E243-T247 PolarHBondContact O-N 3.28Å; E243-T247 PolarHBondContact O-OG1 3.49Å; T247-Y249 WeakPolarHBondContact O-CD2 3.4Å; T247-Y249 PolarHBondContact O-N 3.29Å; T247-Y249 PolarHBondContact OG1-N 3.1Å; T247-Y249 PolarHBondContact OG1-O 3.15Å |
| 248 | G | 78 | Confident | 78.3 | Confident | 56 Ų | 56 | 72.7 Ų | 72.7 | 58% | 0.577 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 75.3 | 3.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L244 | L244-G248 VanDerWaalsContact O-CA 3.28Å; L244-G248 WeakPolarHBondContact O-CA 3.32Å; L244-G248 PolarHBondContact O-N 3.16Å |
| 249 | Y | 68.4 | Low | 78.4 | Confident | 179 Ų | 179 | 75 Ų | 75 | 70% | 0.702 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -130.2 | 139.8 | -176.3 | -62.6 | -76 | 0 | 0 | 0 | 111.5 | T247 | T247-Y249 WeakPolarHBondContact O-CD2 3.4Å; T247-Y249 PolarHBondContact O-N 3.29Å; T247-Y249 PolarHBondContact OG1-N 3.1Å; T247-Y249 PolarHBondContact OG1-O 3.15Å |
| 250 | P | 78.5 | Confident | 78.4 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 132.1 | 177.6 | 26.9 | -33.4 | 0 | 0 | 0 | 110.6 | L244 Y254 | L244-P250 HydrophobicContact CD1-CB 4.37Å; P250-Y254 HydrophobicContact CB-CD1 4.25Å; P250-Y254 HydrophobicContact CB-CG 4.18Å |
| 251 | P | 79.1 | Confident | 78.5 | Confident | 18 Ų | 18 | 75 Ų | 75 | 12% | 0.117 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -58 | 158.6 | 175.7 | -26.1 | 33.8 | 0 | 0 | 0 | 113.4 | L240 E243 N253 Y254 | L240-P251 HydrophobicContact CD2-CB 3.65Å; L240-P251 HydrophobicContact CD2-CG 3.77Å; E243-P251 HydrophobicContact CB-CG 3.84Å; E243-P251 HydrophobicContact CG-CG 3.79Å; E243-P251 WeakPolarHBondContact OE2-CG 3.43Å; P251-N253 PolarHBondContact O-N 2.97Å; P251-Y254 WeakPolarHBondContact O-CB 3.2Å; P251-Y254 PolarHBondContact O-N 3.32Å |
| 252 | A | 74.8 | Confident | 78.7 | Confident | 89 Ų | 89 | 79.2 Ų | 79.2 | 74% | 0.736 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 132.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y254 | A252-Y254 PolarHBondContact O-N 3.15Š|
| 253 | N | 77.5 | Confident | 79 | Confident | 99 Ų | 99 | 80.2 Ų | 80.2 | 53% | 0.529 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 16.3 | -176.7 | -52.3 | -15.4 | 0 | 0 | 0 | 115.8 | P251 L255 Q256 H257 | P251-N253 PolarHBondContact O-N 2.97Å; N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 3.2Å; N253-Q256 HydrophobicContact CB-CB 4.24Å; N253-Q256 WeakPolarHBondContact O-CB 3.48Å; N253-Q256 PolarHBondContact O-N 3.33Å; N253-H257 PolarHBondContact O-CD2 3Å; N253-H257 PolarHBondContact O-N 3.03Å |
| 254 | Y | 79.4 | Confident | 79.3 | Confident | 49 Ų | 49 | 79.4 Ų | 79.4 | 19% | 0.192 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -47.1 | -51 | 176.2 | 179.6 | -97.2 | 0 | 0 | 0 | 112.9 | L240 N241 L244 P250 P251 A252 Q256 H257 T258 | L240-Y254 HydrophobicContact CB-CD2 3.93Å; L240-Y254 HydrophobicContact CB-CE2 4.09Å; N241-Y254 PolarHBondContact OD1-OH 3.45Å; L244-Y254 HydrophobicContact CD2-CE2 4.35Å; P250-Y254 HydrophobicContact CB-CD1 4.25Å; P250-Y254 HydrophobicContact CB-CG 4.18Å; P251-Y254 WeakPolarHBondContact O-CB 3.2Å; P251-Y254 PolarHBondContact O-N 3.32Å; A252-Y254 PolarHBondContact O-N 3.15Å; Y254-Q256 VanDerWaalsContact C-N 3.3Å; Y254-Q256 PolarHBondContact O-N 3.39Å; Y254-H257 PolarHBondContact O-N 2.85Å; Y254-T258 HydrophobicContact CD1-CG2 4.18Å; Y254-T258 HydrophobicContact CE1-CG2 3.88Å; Y254-T258 HydrophobicContact CE2-CG2 4.37Å; Y254-T258 WeakPolarHBondContact O-CG2 3.42Å; Y254-T258 PolarHBondContact O-N 3.5Å; Y254-T258 PolarHBondContact O-OG1 3.19Å |
| 255 | L | 83.2 | Confident | 79.6 | Confident | 139 Ų | 139 | 77 Ų | 77 | 73% | 0.728 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.7 | -32 | 178.8 | -122.3 | 79.2 | 0 | 0 | 0 | 113.8 | N253 T258 H259 | N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 3.2Å; L255-T258 WeakPolarHBondContact CA-OG1 3.48Å; L255-T258 PolarHBondContact O-OG1 2.92Å; L255-H259 WeakPolarHBondContact O-CB 3.4Å; L255-H259 PolarHBondContact O-N 3.23Å; L255-H259 VanDerWaalsContact O-N 3.09Å |
| 256 | Q | 80.7 | Confident | 79.7 | Confident | 124 Ų | 124 | 74.4 Ų | 74.4 | 58% | 0.579 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -74.9 | -37.4 | 178.2 | -169.6 | -177.2 | 23.4 | 0 | 0 | 110.8 | N253 Y254 A260 | N253-Q256 HydrophobicContact CB-CB 4.24Å; N253-Q256 WeakPolarHBondContact O-CB 3.48Å; N253-Q256 PolarHBondContact O-N 3.33Å; Y254-Q256 VanDerWaalsContact C-N 3.3Å; Y254-Q256 PolarHBondContact O-N 3.39Å; Q256-A260 WeakPolarHBondContact O-CB 3.27Å; Q256-A260 PolarHBondContact O-N 3.31Å |
| 257 | H | 80.8 | Confident | 80 | Confident | 43 Ų | 43 | 69.8 Ų | 69.8 | 20% | 0.199 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -72.7 | -35.1 | 176.2 | -69.1 | -43.9 | 0 | 0 | 0 | 112.4 | L236 L240 N253 Y254 Y261 | L236-H257 HydrophobicContact CD2-CB 3.97Å; L240-H257 HydrophobicContact CD1-CB 3.56Å; N253-H257 PolarHBondContact O-CD2 3Å; N253-H257 PolarHBondContact O-N 3.03Å; Y254-H257 PolarHBondContact O-N 2.85Å; H257-Y261 WeakPolarHBondContact O-CB 3.38Å; H257-Y261 PolarHBondContact O-N 3.33Å |
| 258 | T | 83.6 | Confident | 80 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 16% | 0.16 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 171.2 | 63.5 | 0 | 0 | 0 | 0 | 111.7 | I237 Y254 L255 Y261 Y262 | I237-T258 HydrophobicContact CD1-CG2 3.71Å; Y254-T258 HydrophobicContact CD1-CG2 4.18Å; Y254-T258 HydrophobicContact CE1-CG2 3.88Å; Y254-T258 HydrophobicContact CE2-CG2 4.37Å; Y254-T258 WeakPolarHBondContact O-CG2 3.42Å; Y254-T258 PolarHBondContact O-N 3.5Å; Y254-T258 PolarHBondContact O-OG1 3.19Å; L255-T258 WeakPolarHBondContact CA-OG1 3.48Å; L255-T258 PolarHBondContact O-OG1 2.92Å; T258-Y261 WeakPolarHBondContact O-CB 3.47Å; T258-Y261 PolarHBondContact O-N 3.34Å; T258-Y262 WeakPolarHBondContact O-CD2 3.22Å; T258-Y262 PolarHBondContact O-N 3.19Å; T258-Y262 VanDerWaalsContact O-N 3.11Å |
| 259 | H | 83.8 | Confident | 80.2 | Confident | 122 Ų | 122 | 68.7 Ų | 68.7 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.6 | -50.4 | 174.2 | -163.8 | -86.1 | 0 | 0 | 0 | 111.9 | L255 Y261 Y262 E263 | L255-H259 WeakPolarHBondContact O-CB 3.4Å; L255-H259 PolarHBondContact O-N 3.23Å; L255-H259 VanDerWaalsContact O-N 3.09Å; H259-Y261 VanDerWaalsContact C-N 3.28Å; H259-Y261 PolarHBondContact O-N 2.89Å; H259-Y262 PolarHBondContact O-N 3.4Å; H259-E263 IonicContact CE1-OE1 2.65Å; H259-E263 PolarHBondContact CE1-OE1 2.92Å; H259-E263 VanDerWaalsContact CE1-OE1 3.29Å; H259-E263 IonicContact CG-OE1 2.88Å; H259-E263 IonicContact ND1-OE1 2.72Å; H259-E263 PolarHBondContact ND1-OE1 3.05Å; H259-E263 PolarHBondContact O-N 3.3Å |
| 260 | A | 81.3 | Confident | 80.7 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 12% | 0.116 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.2 | -25.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y233 Q256 A264 | Y233-A260 HydrophobicContact CD1-CB 4.31Å; Y233-A260 HydrophobicContact CE1-CB 3.54Å; Y233-A260 HydrophobicContact CE2-CB 4.41Å; Q256-A260 WeakPolarHBondContact O-CB 3.27Å; Q256-A260 PolarHBondContact O-N 3.31Å; A260-A264 WeakPolarHBondContact O-CB 3.46Å; A260-A264 PolarHBondContact O-N 3.36Å |
| 261 | Y | 84.7 | Confident | 80.7 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 167.5 | 168 | -107.7 | 0 | 0 | 0 | 111.7 | L230 I237 H257 T258 H259 A264 L265 | L230-Y261 HydrophobicContact CD1-CD2 3.98Å; L230-Y261 HydrophobicContact CD1-CE2 3.68Å; I237-Y261 HydrophobicContact CG1-CD1 4.41Å; I237-Y261 HydrophobicContact CG1-CD2 4.26Å; I237-Y261 HydrophobicContact CG1-CG 3.91Å; H257-Y261 WeakPolarHBondContact O-CB 3.38Å; H257-Y261 PolarHBondContact O-N 3.33Å; T258-Y261 WeakPolarHBondContact O-CB 3.47Å; T258-Y261 PolarHBondContact O-N 3.34Å; H259-Y261 VanDerWaalsContact C-N 3.28Å; H259-Y261 PolarHBondContact O-N 2.89Å; Y261-A264 PolarHBondContact O-N 3.02Å; Y261-L265 HydrophobicContact CE1-CD2 4.37Å; Y261-L265 WeakPolarHBondContact O-CB 3.32Å; Y261-L265 PolarHBondContact O-N 3.24Å |
| 262 | Y | 84.6 | Confident | 80.2 | Confident | 142 Ų | 142 | 62.5 Ų | 62.5 | 56% | 0.557 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67 | -38.6 | 176.8 | -67.4 | -59.6 | 0 | 0 | 0 | 112.4 | T258 H259 A264 L265 E266 | T258-Y262 WeakPolarHBondContact O-CD2 3.22Å; T258-Y262 PolarHBondContact O-N 3.19Å; T258-Y262 VanDerWaalsContact O-N 3.11Å; H259-Y262 PolarHBondContact O-N 3.4Å; Y262-A264 PolarHBondContact O-N 2.67Å; Y262-L265 HydrophobicContact CD1-CD2 4.29Å; Y262-L265 PolarHBondContact O-N 2.94Å; Y262-E266 PolarHBondContact O-N 3.47Å |
| 263 | E | 82.9 | Confident | 79.7 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 34% | 0.336 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.9 | -46 | 169.7 | -71.7 | 172.1 | -142.5 | 0 | 0 | 112.1 | H259 L265 E266 A267 | H259-E263 IonicContact CE1-OE1 2.65Å; H259-E263 PolarHBondContact CE1-OE1 2.92Å; H259-E263 VanDerWaalsContact CE1-OE1 3.29Å; H259-E263 IonicContact CG-OE1 2.88Å; H259-E263 IonicContact ND1-OE1 2.72Å; H259-E263 PolarHBondContact ND1-OE1 3.05Å; H259-E263 PolarHBondContact O-N 3.3Å; E263-L265 VanDerWaalsContact C-N 3.32Å; E263-L265 PolarHBondContact O-N 2.8Å; E263-E266 PolarHBondContact O-N 3.28Å; E263-A267 WeakPolarHBondContact O-CB 3.45Å; E263-A267 PolarHBondContact O-N 3.3Å |
| 264 | A | 80.7 | Confident | 78.7 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L229 L230 Y233 A260 Y261 Y262 A267 F268 | L229-A264 HydrophobicContact CD2-CB 3.82Å; L229-A264 HydrophobicContact CG-CB 4.1Å; L230-A264 HydrophobicContact CB-CB 4.49Å; L230-A264 HydrophobicContact CD1-CB 4.39Å; Y233-A264 HydrophobicContact CD2-CB 3.68Å; Y233-A264 HydrophobicContact CE2-CB 4.21Å; A260-A264 WeakPolarHBondContact O-CB 3.46Å; A260-A264 PolarHBondContact O-N 3.36Å; Y261-A264 PolarHBondContact O-N 3.02Å; Y262-A264 PolarHBondContact O-N 2.67Å; A264-A267 PolarHBondContact O-N 3.1Å; A264-F268 VanDerWaalsContact O-CB 3.32Å; A264-F268 WeakPolarHBondContact O-CB 3.25Å; A264-F268 PolarHBondContact O-N 3.22Å |
| 265 | L | 81.8 | Confident | 77.5 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.3 | -38.1 | 177.1 | -171.5 | 65 | 0 | 0 | 0 | 111.9 | L230 Y261 Y262 E263 K269 Y281 I284 T285 | L230-L265 HydrophobicContact CD1-CB 4.06Å; L230-L265 HydrophobicContact CD1-CD1 3.97Å; L230-L265 HydrophobicContact CD2-CD1 3.79Å; Y261-L265 HydrophobicContact CE1-CD2 4.37Å; Y261-L265 WeakPolarHBondContact O-CB 3.32Å; Y261-L265 PolarHBondContact O-N 3.24Å; Y262-L265 HydrophobicContact CD1-CD2 4.29Å; Y262-L265 PolarHBondContact O-N 2.94Å; E263-L265 VanDerWaalsContact C-N 3.32Å; E263-L265 PolarHBondContact O-N 2.8Å; L265-K269 WeakPolarHBondContact O-CG 3.1Å; L265-K269 PolarHBondContact O-N 3.16Å; L265-K269 VanDerWaalsContact O-N 3.12Å; L265-Y281 HydrophobicContact CD1-CD2 4.22Å; L265-Y281 HydrophobicContact CD1-CE2 3.76Å; L265-Y281 HydrophobicContact CD2-CE2 3.77Å; L265-Y281 HydrophobicContact CG-CE2 3.83Å; L265-I284 HydrophobicContact CD1-CG2 4.42Å; L265-T285 HydrophobicContact CD2-CG2 4.49Å |
| 266 | E | 80.2 | Confident | 76.1 | Confident | 107 Ų | 107 | 63.5 Ų | 63.5 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 169.5 | -79.9 | -158.7 | -172 | 0 | 0 | 112.2 | Y262 E263 F268 K269 K270 | Y262-E266 PolarHBondContact O-N 3.47Å; E263-E266 PolarHBondContact O-N 3.28Å; E266-F268 PolarHBondContact O-N 2.93Å; E266-K269 PolarHBondContact O-N 3.03Å; E266-K270 WeakPolarHBondContact O-CB 3.42Å; E266-K270 VanDerWaalsContact O-CG 3.27Å; E266-K270 WeakPolarHBondContact O-CG 3.45Å; E266-K270 PolarHBondContact O-N 3.02Å; E266-K270 IonicContact OE2-NZ 2.77Å; E266-K270 PolarHBondContact OE2-NZ 3.39Å; E266-K270 VanDerWaalsContact OE2-NZ 3.12Å |
| 267 | A | 77.8 | Confident | 74.8 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.2 | -36.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T226 E263 A264 K270 V271 | T226-A267 HydrophobicContact CG2-CB 4.09Å; E263-A267 WeakPolarHBondContact O-CB 3.45Å; E263-A267 PolarHBondContact O-N 3.3Å; A264-A267 PolarHBondContact O-N 3.1Å; A267-K270 PolarHBondContact O-N 3.2Å; A267-V271 WeakPolarHBondContact O-CB 3.33Å; A267-V271 WeakPolarHBondContact O-CG2 3.3Å; A267-V271 PolarHBondContact O-N 3.04Å |
| 268 | F | 78.5 | Confident | 73.6 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 2% | 0.022 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.3 | -47.9 | 174.6 | -178.8 | -99.3 | 0 | 0 | 0 | 112.3 | T226 D227 L230 A264 E266 K270 V271 H272 L276 I284 | T226-F268 VanDerWaalsContact CG2-CA 3.4Å; T226-F268 HydrophobicContact CG2-CB 3.86Å; T226-F268 HydrophobicContact CG2-CD2 4.42Å; D227-F268 VanDerWaalsContact OD1-CE2 3.24Å; D227-F268 WeakPolarHBondContact OD1-CE2 3.24Å; L230-F268 HydrophobicContact CD2-CB 3.69Å; L230-F268 HydrophobicContact CD2-CD1 3.63Å; L230-F268 HydrophobicContact CD2-CD2 3.72Å; L230-F268 HydrophobicContact CD2-CE1 4.08Å; L230-F268 HydrophobicContact CD2-CE2 4.18Å; L230-F268 HydrophobicContact CD2-CG 3.42Å; L230-F268 VanDerWaalsContact CD2-CG 3.42Å; L230-F268 HydrophobicContact CD2-CZ 4.35Å; A264-F268 VanDerWaalsContact O-CB 3.32Å; A264-F268 WeakPolarHBondContact O-CB 3.25Å; A264-F268 PolarHBondContact O-N 3.22Å; E266-F268 PolarHBondContact O-N 2.93Å; F268-K270 VanDerWaalsContact C-N 3.35Å; F268-K270 PolarHBondContact O-N 2.92Å; F268-V271 PolarHBondContact O-N 3.42Å; F268-V271 VanDerWaalsContact O-N 3.12Å; F268-H272 AromaticContact CD2-CD2 3.53Å; F268-H272 AromaticContact CD2-NE2 3.68Å; F268-H272 AromaticContact CE2-CD2 3.44Å; F268-H272 VanDerWaalsContact CE2-CD2 3.44Å; F268-H272 WeakPolarHBondContact CE2-CD2 3.46Å; F268-H272 AromaticContact CE2-NE2 3.37Å; F268-H272 WeakPolarHBondContact CE2-NE2 3Å; F268-H272 AromaticContact CG-CD2 3.95Å; F268-H272 AromaticContact CZ-CD2 3.79Å; F268-H272 PolarHBondContact O-CD2 2.91Å; F268-H272 PolarHBondContact O-N 3.01Å; F268-L276 HydrophobicContact CD1-CD1 4.24Å; F268-L276 HydrophobicContact CD1-CD2 4.44Å; F268-L276 HydrophobicContact CE1-CD1 3.33Å; F268-L276 HydrophobicContact CE1-CD2 3.76Å; F268-L276 HydrophobicContact CE1-CG 4.19Å; F268-L276 HydrophobicContact CZ-CD1 3.58Å; F268-I284 HydrophobicContact CD1-CD1 4.44Å; F268-I284 HydrophobicContact CE1-CD1 3.45Å; F268-I284 VanDerWaalsContact CE1-CD1 3.45Å; F268-I284 HydrophobicContact CZ-CD1 3.54Å |
| 269 | K | 81.4 | Confident | 71.9 | Confident | 88 Ų | 88 | 69.1 Ų | 69.1 | 38% | 0.383 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.8 | -45.9 | 170.6 | -67.7 | 175.3 | -171.9 | 176.5 | 0 | 111.9 | L265 E266 V271 G273 Y281 | L265-K269 WeakPolarHBondContact O-CG 3.1Å; L265-K269 PolarHBondContact O-N 3.16Å; L265-K269 VanDerWaalsContact O-N 3.12Å; E266-K269 PolarHBondContact O-N 3.03Å; K269-V271 PolarHBondContact O-N 3.38Å; K269-V271 VanDerWaalsContact O-N 3.11Å; K269-G273 WeakPolarHBondContact O-CA 3.15Å; K269-G273 PolarHBondContact O-N 3.4Å; K269-Y281 PolarHBondContact NZ-OH 3.21Å |
| 270 | K | 80.3 | Confident | 70.5 | Confident | 75 Ų | 75 | 66 Ų | 66 | 33% | 0.326 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.7 | -7 | 178.5 | -68.8 | 168.2 | -179.8 | 175.8 | 0 | 114.3 | D125 E266 A267 F268 | D125-K270 WeakPolarHBondContact OD1-CD 3.49Å; D125-K270 IonicContact OD1-NZ 3.12Å; D125-K270 PolarHBondContact OD1-NZ 3.18Å; D125-K270 IonicContact OD2-NZ 3.02Å; D125-K270 PolarHBondContact OD2-NZ 3.07Å; E266-K270 WeakPolarHBondContact O-CB 3.42Å; E266-K270 VanDerWaalsContact O-CG 3.27Å; E266-K270 WeakPolarHBondContact O-CG 3.45Å; E266-K270 PolarHBondContact O-N 3.02Å; E266-K270 IonicContact OE2-NZ 2.77Å; E266-K270 PolarHBondContact OE2-NZ 3.39Å; E266-K270 VanDerWaalsContact OE2-NZ 3.12Å; A267-K270 PolarHBondContact O-N 3.2Å; F268-K270 VanDerWaalsContact C-N 3.35Å; F268-K270 PolarHBondContact O-N 2.92Å |
| 271 | V | 77.5 | Confident | 69.1 | Low | 18 Ų | 18 | 68.8 Ų | 68.8 | 11% | 0.109 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -108.8 | -43.6 | 179 | 167 | 0 | 0 | 0 | 0 | 112.2 | R222 E223 T226 A267 F268 K269 | R222-V271 HydrophobicContact CG-CG2 3.89Å; E223-V271 HydrophobicContact CB-CG1 4.28Å; E223-V271 HydrophobicContact CG-CG1 3.7Å; T226-V271 HydrophobicContact CG2-CG2 4.36Å; A267-V271 WeakPolarHBondContact O-CB 3.33Å; A267-V271 WeakPolarHBondContact O-CG2 3.3Å; A267-V271 PolarHBondContact O-N 3.04Å; F268-V271 PolarHBondContact O-N 3.42Å; F268-V271 VanDerWaalsContact O-N 3.12Å; K269-V271 PolarHBondContact O-N 3.38Å; K269-V271 VanDerWaalsContact O-N 3.11Å |
| 272 | H | 68.8 | Low | 67.5 | Low | 58 Ų | 58 | 73.3 Ų | 73.3 | 27% | 0.269 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -85.2 | -19.7 | 177.6 | -67.3 | -70.4 | 0 | 0 | 0 | 113.6 | D227 F268 L276 | D227-H272 IonicContact OD1-CD2 3.74Å; D227-H272 IonicContact OD1-CE1 3.5Å; D227-H272 PolarHBondContact OD1-CE1 3.38Å; D227-H272 IonicContact OD1-NE2 2.66Å; D227-H272 PolarHBondContact OD1-NE2 3.44Å; F268-H272 AromaticContact CD2-CD2 3.53Å; F268-H272 AromaticContact CD2-NE2 3.68Å; F268-H272 AromaticContact CE2-CD2 3.44Å; F268-H272 VanDerWaalsContact CE2-CD2 3.44Å; F268-H272 WeakPolarHBondContact CE2-CD2 3.46Å; F268-H272 AromaticContact CE2-NE2 3.37Å; F268-H272 WeakPolarHBondContact CE2-NE2 3Å; F268-H272 AromaticContact CG-CD2 3.95Å; F268-H272 AromaticContact CZ-CD2 3.79Å; F268-H272 PolarHBondContact O-CD2 2.91Å; F268-H272 PolarHBondContact O-N 3.01Å; H272-L276 HydrophobicContact CB-CB 4.24Å; H272-L276 HydrophobicContact CB-CD1 3.81Å |
| 273 | G | 64.2 | Low | 65.8 | Low | 34 Ų | 34 | 71 Ų | 71 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | | | trans | 74.7 | -172.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K269 D275 L276 | K269-G273 WeakPolarHBondContact O-CA 3.15Å; K269-G273 PolarHBondContact O-N 3.4Å; G273-D275 PolarHBondContact O-N 3.32Å; G273-L276 PolarHBondContact O-N 2.95Å |
| 274 | D | 56.8 | Low | 64.3 | Low | 173 Ų | 173 | 68 Ų | 68 | 93% | 0.925 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -7.6 | 179.3 | -54.2 | -51.6 | 0 | 0 | 0 | 113.1 | L276 | D274-L276 PolarHBondContact O-N 2.95Š|
| 275 | D | 53.2 | Low | 62.9 | Low | 161 Ų | 161 | 70.4 Ų | 70.4 | 86% | 0.861 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -12.4 | 171.4 | -75.6 | -35.6 | 0 | 0 | 0 | 112.9 | G273 S277 | G273-D275 PolarHBondContact O-N 3.32Å; D275-S277 PolarHBondContact O-N 3.01Å; D275-S277 VanDerWaalsContact O-N 3.08Å |
| 276 | L | 55.1 | Low | 61.2 | Low | 30 Ų | 30 | 74.9 Ų | 74.9 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -76.6 | 94.6 | 173.3 | -163.1 | 120.2 | 0 | 0 | 0 | 110.3 | F268 H272 G273 D274 I280 | F268-L276 HydrophobicContact CD1-CD1 4.24Å; F268-L276 HydrophobicContact CD1-CD2 4.44Å; F268-L276 HydrophobicContact CE1-CD1 3.33Å; F268-L276 HydrophobicContact CE1-CD2 3.76Å; F268-L276 HydrophobicContact CE1-CG 4.19Å; F268-L276 HydrophobicContact CZ-CD1 3.58Å; H272-L276 HydrophobicContact CB-CB 4.24Å; H272-L276 HydrophobicContact CB-CD1 3.81Å; G273-L276 PolarHBondContact O-N 2.95Å; D274-L276 PolarHBondContact O-N 2.95Å; L276-I280 HydrophobicContact CD1-CG2 4.05Å; L276-I280 HydrophobicContact CD2-CB 4.2Å; L276-I280 HydrophobicContact CD2-CG2 4.05Å; L276-I280 HydrophobicContact CG-CB 4.15Å; L276-I280 HydrophobicContact CG-CG2 4.01Å |
| 277 | S | 53.4 | Low | 59.1 | Low | 54 Ų | 54 | 73.8 Ų | 73.8 | 38% | 0.378 | 39% | 0.385 | S | S | . | . | | | trans | -51.8 | 145.1 | -176.4 | 65 | 0 | 0 | 0 | 0 | 113.1 | D275 Q279 I280 Y281 | D275-S277 PolarHBondContact O-N 3.01Å; D275-S277 VanDerWaalsContact O-N 3.08Å; S277-Q279 PolarHBondContact O-N 3.25Å; S277-I280 PolarHBondContact O-N 3.31Å; S277-Y281 PolarHBondContact O-N 3.07Å |
| 278 | D | 54.8 | Low | 57.3 | Low | 100 Ų | 100 | 79.8 Ų | 79.8 | 54% | 0.535 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -48.1 | -32.9 | 176.8 | -67.8 | -52.9 | 0 | 0 | 0 | 111.4 | Y281 E282 K1032 | D278-Y281 WeakPolarHBondContact O-CB 3.42Å; D278-Y281 PolarHBondContact O-N 3.41Å; D278-E282 PolarHBondContact O-N 3.17Å; D278-K1032 IonicContact OD1-NZ 2.73Å; D278-K1032 PolarHBondContact OD1-NZ 3.42Å; D278-K1032 IonicContact OD2-NZ 3.49Å; D278-K1032 PolarHBondContact OD2-NZ 2.9Å |
| 279 | Q | 48.5 | Very low | 55 | Low | 156 Ų | 156 | 84.1 Ų | 84.1 | 73% | 0.729 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.1 | -35.2 | 178 | -169.4 | 172.4 | 67.4 | 0 | 0 | 114.3 | S277 M283 | S277-Q279 PolarHBondContact O-N 3.25Å; Q279-M283 WeakPolarHBondContact O-CB 3.36Å; Q279-M283 PolarHBondContact O-N 3.29Å |
| 280 | I | 54.4 | Low | 52.6 | Low | 57 Ų | 57 | 83.2 Ų | 83.2 | 29% | 0.292 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.7 | -37 | 172.1 | -63.9 | 172 | 0 | 0 | 0 | 109.8 | L276 S277 M283 I284 | L276-I280 HydrophobicContact CD1-CG2 4.05Å; L276-I280 HydrophobicContact CD2-CB 4.2Å; L276-I280 HydrophobicContact CD2-CG2 4.05Å; L276-I280 HydrophobicContact CG-CB 4.15Å; L276-I280 HydrophobicContact CG-CG2 4.01Å; S277-I280 PolarHBondContact O-N 3.31Å; I280-M283 PolarHBondContact O-N 2.99Å; I280-I284 HydrophobicContact CG2-CD1 3.93Å; I280-I284 VanDerWaalsContact O-CG1 3.3Å; I280-I284 WeakPolarHBondContact O-CG1 3.45Å; I280-I284 PolarHBondContact O-N 3.4Å |
| 281 | Y | 51.4 | Low | 50.4 | Low | 72 Ų | 72 | 83.6 Ų | 83.6 | 28% | 0.282 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.9 | -51.5 | 176.4 | -174.3 | -107.7 | 0 | 0 | 0 | 111.6 | L265 K269 S277 D278 M283 I284 T285 | L265-Y281 HydrophobicContact CD1-CD2 4.22Å; L265-Y281 HydrophobicContact CD1-CE2 3.76Å; L265-Y281 HydrophobicContact CD2-CE2 3.77Å; L265-Y281 HydrophobicContact CG-CE2 3.83Å; K269-Y281 PolarHBondContact NZ-OH 3.21Å; S277-Y281 PolarHBondContact O-N 3.07Å; D278-Y281 WeakPolarHBondContact O-CB 3.42Å; D278-Y281 PolarHBondContact O-N 3.41Å; Y281-M283 VanDerWaalsContact C-N 3.33Å; Y281-M283 PolarHBondContact O-N 3.05Å; Y281-I284 PolarHBondContact O-N 2.95Å; Y281-I284 VanDerWaalsContact O-N 3.14Å; Y281-T285 PolarHBondContact O-N 2.81Å; Y281-T285 PolarHBondContact O-OG1 3.18Å |
| 282 | E | 50.1 | Low | 48.3 | Very low | 114 Ų | 114 | 91 Ų | 91 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -36.9 | 174 | -71.8 | -164.9 | 143.2 | 0 | 0 | 112.7 | D278 I284 T285 N286 | D278-E282 PolarHBondContact O-N 3.17Å; E282-I284 PolarHBondContact O-N 3.47Å; E282-T285 PolarHBondContact O-N 2.99Å; E282-T285 PolarHBondContact O-OG1 3.48Å; E282-N286 VanDerWaalsContact O-CB 3.22Å; E282-N286 WeakPolarHBondContact O-CB 3.46Å; E282-N286 PolarHBondContact O-N 3.42Å |
| 283 | M | 50.8 | Low | 47.1 | Very low | 94 Ų | 94 | 92.1 Ų | 92.1 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -28.4 | 176.1 | -174.4 | 174.3 | 63.6 | 0 | 0 | 112.7 | Q279 I280 Y281 | Q279-M283 WeakPolarHBondContact O-CB 3.36Å; Q279-M283 PolarHBondContact O-N 3.29Å; I280-M283 PolarHBondContact O-N 2.99Å; Y281-M283 VanDerWaalsContact C-N 3.33Å; Y281-M283 PolarHBondContact O-N 3.05Å |
| 284 | I | 51.2 | Low | 45.6 | Very low | 10 Ų | 10 | 98.6 Ų | 98.6 | 5% | 0.051 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -78.1 | -36.4 | 173.4 | -70.1 | 165.4 | 0 | 0 | 0 | 111.7 | L230 L265 F268 I280 Y281 E282 L291 | L230-I284 HydrophobicContact CD2-CD1 4.44Å; L230-I284 HydrophobicContact CD2-CG2 4.12Å; L230-I284 HydrophobicContact CG-CG2 4.42Å; L265-I284 HydrophobicContact CD1-CG2 4.42Å; F268-I284 HydrophobicContact CD1-CD1 4.44Å; F268-I284 HydrophobicContact CE1-CD1 3.45Å; F268-I284 VanDerWaalsContact CE1-CD1 3.45Å; F268-I284 HydrophobicContact CZ-CD1 3.54Å; I280-I284 HydrophobicContact CG2-CD1 3.93Å; I280-I284 VanDerWaalsContact O-CG1 3.3Å; I280-I284 WeakPolarHBondContact O-CG1 3.45Å; I280-I284 PolarHBondContact O-N 3.4Å; Y281-I284 PolarHBondContact O-N 2.95Å; Y281-I284 VanDerWaalsContact O-N 3.14Å; E282-I284 PolarHBondContact O-N 3.47Å; I284-L291 HydrophobicContact CG1-CD2 4.22Å |
| 285 | T | 51 | Low | 44.5 | Very low | 51 Ų | 51 | 96.9 Ų | 96.9 | 31% | 0.313 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -90.2 | -29.6 | -174.6 | 59.8 | 0 | 0 | 0 | 0 | 114.7 | L265 Y281 E282 | L265-T285 HydrophobicContact CD2-CG2 4.49Å; Y281-T285 PolarHBondContact O-N 2.81Å; Y281-T285 PolarHBondContact O-OG1 3.18Å; E282-T285 PolarHBondContact O-N 2.99Å; E282-T285 PolarHBondContact O-OG1 3.48Å |
| 286 | N | 45.8 | Very low | 43.5 | Very low | 99 Ų | 99 | 99.3 Ų | 99.3 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -116.9 | -4.4 | -160.5 | -57 | -9.8 | 0 | 0 | 0 | 116.1 | E282 | E282-N286 VanDerWaalsContact O-CB 3.22Å; E282-N286 WeakPolarHBondContact O-CB 3.46Å; E282-N286 PolarHBondContact O-N 3.42Å |
| 287 | N | 35.9 | Very low | 42.2 | Very low | 83 Ų | 83 | 100.8 Ų | 100.8 | 44% | 0.444 | 55% | 0.546 | S | S | . | . | | | trans | -119.8 | 143.4 | -171.6 | -81.4 | -47.1 | 0 | 0 | 0 | 114.6 | K238 | K238-N287 PolarHBondContact NZ-O 2.84Š|
| 288 | D | 39.4 | Very low | 41.1 | Very low | 143 Ų | 143 | 109.8 Ų | 109.8 | 77% | 0.765 | 57% | 0.571 | S | S | * | * | | | trans | -91.4 | -3.1 | 177.4 | -78.3 | -49.7 | 0 | 0 | 0 | 115.5 | K238 | K238-D288 IonicContact NZ-OD1 3.87Å; K238-D288 PolarHBondContact NZ-OD1 2.04Å |
| 289 | S | 31.4 | Very low | 39.7 | Very low | 96 Ų | 96 | 114.2 Ų | 114.2 | 67% | 0.671 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -91.3 | 128.4 | 176.9 | 42.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 290 | G | 30.8 | Very low | 38.8 | Very low | 69 Ų | 69 | 111.8 Ų | 111.8 | 71% | 0.711 | 60% | 0.595 | S | S | * | * | | | trans | -55 | 147.3 | -161.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | Q292 | G290-Q292 VanDerWaalsContact C-N 3.33Å; G290-Q292 PolarHBondContact O-N 3.32Å |
| 291 | L | 34.7 | Very low | 37.5 | Very low | 84 Ų | 84 | 118 Ų | 118 | 44% | 0.44 | 62% | 0.62 | S | S | . | * | | | trans | -60.6 | 81.1 | 174.9 | -78 | 166.7 | 0 | 0 | 0 | 113.4 | I284 L293 | I284-L291 HydrophobicContact CG1-CD2 4.22Å; L291-L293 HydrophobicContact CD2-CD1 4.33Å |
| 292 | Q | 33.7 | Very low | 36.1 | Very low | 174 Ų | 174 | 119.5 Ų | 119.5 | 81% | 0.813 | 64% | 0.641 | S | S | * | * | | | trans | -90.7 | 86.7 | 156.5 | -69.5 | -160.2 | 72 | 0 | 0 | 109.4 | G290 E294 | G290-Q292 VanDerWaalsContact C-N 3.33Å; G290-Q292 PolarHBondContact O-N 3.32Å; Q292-E294 PolarHBondContact O-N 2.96Å |
| 293 | L | 43.3 | Very low | 34.9 | Very low | 81 Ų | 81 | 118.9 Ų | 118.9 | 42% | 0.424 | 65% | 0.645 | S | S | . | * | | | trans | -68.9 | 100.5 | 165.9 | -123.6 | 76.3 | 0 | 0 | 0 | 108.6 | L291 N295 | L291-L293 HydrophobicContact CD2-CD1 4.33Å; L293-N295 PolarHBondContact O-N 3.5Å |
| 294 | E | 31.8 | Very low | 33.6 | Very low | 170 Ų | 170 | 122.3 Ų | 122.3 | 79% | 0.794 | 67% | 0.665 | S | S | * | * | | | trans | -66.9 | 97.3 | 169.4 | -79.8 | -152.2 | 134.7 | 0 | 0 | 110 | Q292 K296 | Q292-E294 PolarHBondContact O-N 2.96Å; E294-K296 PolarHBondContact O-N 3.44Å |
| 295 | N | 34.5 | Very low | 32.3 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | | | trans | -61.5 | 105.8 | 165.3 | -89.8 | -18.1 | 0 | 0 | 0 | 109.2 | L293 G297 | L293-N295 PolarHBondContact O-N 3.5Å; N295-G297 PolarHBondContact O-N 3.39Å |
| 296 | K | 31.8 | Very low | 31.2 | Very low | 211 Ų | 211 | 134.7 Ų | 134.7 | 92% | 0.917 | 72% | 0.719 | S | S | * | * | | | trans | -67.4 | 76.2 | 175.9 | -71.3 | -176.7 | 177.6 | 175.7 | 0 | 111.3 | E294 | E294-K296 PolarHBondContact O-N 3.44Š|
| 297 | G | 28.6 | Very low | 30.2 | Very low | 62 Ų | 62 | 135.3 Ų | 135.3 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | | | trans | -143.4 | 82.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N295 | N295-G297 PolarHBondContact O-N 3.39Š|
| 298 | R | 29.4 | Very low | 29.9 | Very low | 243 Ų | 243 | 138.8 Ų | 138.8 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 51.8 | 101.3 | 168.5 | -61.5 | -171.3 | -178 | -155.3 | 0.9 | 117 | A300 | R298-A300 PolarHBondContact O-N 3.02Š|
| 299 | H | 25.6 | Very low | 29.6 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 89% | 0.889 | 74% | 0.739 | S | S | * | * | | | trans | -1.8 | 100.2 | 160.9 | -54 | -72.2 | 0 | 0 | 0 | 118.1 | | |
| 300 | A | 28.6 | Very low | 29.6 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 87% | 0.868 | 73% | 0.728 | S | S | * | * | | | trans | -102.5 | 120.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | R298 | R298-A300 PolarHBondContact O-N 3.02Š|
| 301 | K | 27 | Very low | 29.6 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | | | trans | -87.8 | 136.5 | -179 | -72.4 | -177.7 | 176.9 | 179.5 | 0 | 111.3 | | |
| 302 | S | 23.1 | Very low | 29.4 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | | | trans | 76.1 | 155.9 | 159.3 | 78.1 | 0 | 0 | 0 | 0 | 120 | | |
| 303 | T | 24.8 | Very low | 29.6 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 61% | 0.613 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 69.7 | 84.4 | 166.4 | 59.1 | 0 | 0 | 0 | 0 | 119.4 | F305 | T303-F305 WeakPolarHBondContact O-CD2 3.43Å; T303-F305 WeakPolarHBondContact O-CE2 3.45Å; T303-F305 PolarHBondContact O-N 3.44Å; T303-F305 VanDerWaalsContact O-N 3.13Å |
| 304 | N | 23.7 | Very low | 29.3 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 89% | 0.893 | 72% | 0.724 | S | S | * | * | | | trans | 41.5 | 56.9 | 132.2 | -56.8 | 2.7 | 0 | 0 | 0 | 118.9 | I306 | N304-I306 PolarHBondContact O-N 2.84Š|
| 305 | F | 23.7 | Very low | 29.5 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 80% | 0.803 | 72% | 0.724 | S | S | * | * | | | trans | -88 | 93.4 | 173.2 | -81.5 | -78.9 | 0 | 0 | 0 | 113.4 | T303 P307 | T303-F305 WeakPolarHBondContact O-CD2 3.43Å; T303-F305 WeakPolarHBondContact O-CE2 3.45Å; T303-F305 PolarHBondContact O-N 3.44Å; T303-F305 VanDerWaalsContact O-N 3.13Å; F305-P307 WeakPolarHBondContact O-CD 3.39Å |
| 306 | I | 27 | Very low | 29.7 | Very low | 137 Ų | 137 | 138 Ų | 138 | 70% | 0.703 | 71% | 0.708 | S | S | * | * | | | trans | -54.3 | 127.9 | 158.9 | -61.7 | 172.6 | 0 | 0 | 0 | 108.2 | N304 M308 | N304-I306 PolarHBondContact O-N 2.84Å; I306-M308 VanDerWaalsContact C-N 3.3Å; I306-M308 PolarHBondContact O-N 2.88Å |
| 307 | P | 26.7 | Very low | 29.7 | Very low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | | | trans | -66.9 | 80.1 | -178.6 | -25.2 | 36.6 | 0 | 0 | 0 | 114.1 | F305 R309 | F305-P307 WeakPolarHBondContact O-CD 3.39Å; P307-R309 PolarHBondContact O-N 3.16Å |
| 308 | M | 29.3 | Very low | 29.9 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 77% | 0.768 | 69% | 0.69 | S | S | * | * | | | trans | -55.8 | 104 | 174.6 | -100.7 | -76 | -86.8 | 0 | 0 | 110.3 | I306 G310 | I306-M308 VanDerWaalsContact C-N 3.3Å; I306-M308 PolarHBondContact O-N 2.88Å; M308-G310 PolarHBondContact O-N 3.39Å |
| 309 | R | 33.4 | Very low | 30 | Very low | 172 Ų | 172 | 129.4 Ų | 129.4 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 30 | -156.4 | -149.7 | 171.4 | -175.5 | 173.9 | 1 | 114.8 | E235 P307 | E235-R309 IonicContact OE1-NH2 3.6Å; P307-R309 PolarHBondContact O-N 3.16Å |
| 310 | G | 29.4 | Very low | 30.4 | Very low | 44 Ų | 44 | 123.5 Ų | 123.5 | 45% | 0.454 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -146.1 | -13.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 118 | M308 | M308-G310 PolarHBondContact O-N 3.39Š|
| 311 | S | 31 | Very low | 30.6 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 52% | 0.517 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -75.9 | -45.1 | -174 | -42.6 | 0 | 0 | 0 | 0 | 113.7 | L313 Q314 | S311-L313 PolarHBondContact O-N 2.91Å; S311-Q314 PolarHBondContact O-N 3.4Å |
| 312 | R | 31.8 | Very low | 31 | Very low | 207 Ų | 207 | 115 Ų | 115 | 78% | 0.781 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -67.9 | 12 | -173.9 | -79 | -176.8 | 168.8 | 170.2 | -2.5 | 116.4 | | |
| 313 | L | 38 | Very low | 31.4 | Very low | 62 Ų | 62 | 115.5 Ų | 115.5 | 33% | 0.325 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -113 | -1 | 173.3 | -81.5 | 170.5 | 0 | 0 | 0 | 113.5 | S311 T316 M325 | S311-L313 PolarHBondContact O-N 2.91Å; L313-T316 PolarHBondContact O-OG1 3.05Å; L313-M325 HydrophobicContact CD1-CE 4.38Å; L313-M325 HydrophobicContact CD1-SD 3.93Å |
| 314 | Q | 37.2 | Very low | 32 | Very low | 143 Ų | 143 | 112.3 Ų | 112.3 | 67% | 0.668 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -31.3 | 175.5 | -67.5 | -177.9 | -28.8 | 0 | 0 | 112 | S311 T316 S317 | S311-Q314 PolarHBondContact O-N 3.4Å; Q314-T316 PolarHBondContact O-N 2.9Å; Q314-S317 PolarHBondContact O-N 3.36Å |
| 315 | E | 35.6 | Very low | 32.3 | Very low | 172 Ų | 172 | 107.8 Ų | 107.8 | 80% | 0.804 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.3 | 177.5 | -65.4 | 169.4 | 177.6 | 0 | 0 | 113.9 | | |
| 316 | T | 37.7 | Very low | 32.8 | Very low | 63 Ų | 63 | 107.9 Ų | 107.9 | 39% | 0.387 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 7.8 | -179.3 | 62 | 0 | 0 | 0 | 0 | 113.7 | L313 Q314 F318 | L313-T316 PolarHBondContact O-OG1 3.05Å; Q314-T316 PolarHBondContact O-N 2.9Å; T316-F318 PolarHBondContact O-N 2.9Å |
| 317 | S | 31.4 | Very low | 33.1 | Very low | 107 Ų | 107 | 108.5 Ų | 108.5 | 75% | 0.748 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -1 | -173.6 | -53.7 | 0 | 0 | 0 | 0 | 115.8 | Q314 M319 | Q314-S317 PolarHBondContact O-N 3.36Å; S317-M319 PolarHBondContact O-N 3.06Å |
| 318 | F | 32.9 | Very low | 33.3 | Very low | 100 Ų | 100 | 107.2 Ų | 107.2 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | | | trans | -91.9 | 85.5 | -168.6 | -129.8 | -85 | 0 | 0 | 0 | 111.8 | T316 L320 | T316-F318 PolarHBondContact O-N 2.9Å; F318-L320 HydrophobicContact CD1-CD2 4.41Å; F318-L320 HydrophobicContact CD1-CG 4.16Å; F318-L320 PolarHBondContact O-N 2.95Å |
| 319 | M | 33.3 | Very low | 33.4 | Very low | 130 Ų | 130 | 103.3 Ų | 103.3 | 64% | 0.64 | 52% | 0.522 | S | S | * | . | | | trans | -72.9 | 65.9 | -179.3 | -69.6 | -147.4 | 78.2 | 0 | 0 | 114.1 | S317 S321 R558 | S317-M319 PolarHBondContact O-N 3.06Å; M319-S321 PolarHBondContact O-N 3.29Å; M319-R558 PolarHBondContact SD-NH1 3.38Å |
| 320 | L | 33.2 | Very low | 33.5 | Very low | 67 Ų | 67 | 99.4 Ų | 99.4 | 35% | 0.351 | 51% | 0.514 | S | S | . | . | | | trans | -63.5 | 121.2 | 163.8 | -69.8 | 176.7 | 0 | 0 | 0 | 109.8 | F318 I324 M325 | F318-L320 HydrophobicContact CD1-CD2 4.41Å; F318-L320 HydrophobicContact CD1-CG 4.16Å; F318-L320 PolarHBondContact O-N 2.95Å; L320-I324 HydrophobicContact CD2-CG2 4.39Å; L320-M325 HydrophobicContact CB-CG 4.23Å; L320-M325 HydrophobicContact CD1-CG 4.43Å |
| 321 | S | 33.4 | Very low | 34 | Very low | 34 Ų | 34 | 107 Ų | 107 | 24% | 0.238 | 53% | 0.534 | C | S | . | . | | | trans | -58.9 | 138 | 174.8 | 165.9 | 0 | 0 | 0 | 0 | 110.7 | M319 R323 I324 M325 | M319-S321 PolarHBondContact O-N 3.29Å; S321-R323 PolarHBondContact O-N 2.87Å; S321-R323 PolarHBondContact OG-N 3.29Å; S321-I324 PolarHBondContact O-N 3.42Å; S321-M325 PolarHBondContact O-N 3.01Å |
| 322 | P | 33.9 | Very low | 34.3 | Very low | 83 Ų | 83 | 105.4 Ų | 105.4 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -2.1 | 174.6 | -27.3 | 35.9 | 0 | 0 | 0 | 115.7 | R326 | P322-R326 WeakPolarHBondContact O-CD 3.43Å; P322-R326 WeakPolarHBondContact O-CG 3.18Å; P322-R326 PolarHBondContact O-NH1 3.44Å |
| 323 | R | 32.3 | Very low | 34.7 | Very low | 112 Ų | 112 | 97.3 Ų | 97.3 | 42% | 0.423 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -20.4 | 167.5 | -71.9 | -174.8 | 179 | 155.4 | -1.3 | 114.4 | S321 R326 R327 S548 Y552 | S321-R323 PolarHBondContact O-N 2.87Å; S321-R323 PolarHBondContact OG-N 3.29Å; R323-R326 PolarHBondContact O-N 3.17Å; R323-R327 PolarHBondContact O-N 3.48Å; R323-S548 VanDerWaalsContact NH1-CB 3.33Å; R323-S548 PolarHBondContact NH1-OG 3.29Å; R323-Y552 WeakPolarHBondContact CB-OH 3.15Å; R323-Y552 WeakPolarHBondContact CD-OH 3.38Å |
| 324 | I | 37.9 | Very low | 34.8 | Very low | 33 Ų | 33 | 99.2 Ų | 99.2 | 17% | 0.169 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -43.1 | 172 | -59.7 | 169.3 | 0 | 0 | 0 | 108.8 | L320 S321 R326 R327 A328 I531 N535 | L320-I324 HydrophobicContact CD2-CG2 4.39Å; S321-I324 PolarHBondContact O-N 3.42Å; I324-R326 PolarHBondContact O-N 2.86Å; I324-R326 VanDerWaalsContact O-N 3.09Å; I324-R327 CarbonylContact O-C 3.58Å; I324-R327 PolarHBondContact O-N 2.9Å; I324-A328 PolarHBondContact O-N 3.39Å; I324-I531 HydrophobicContact CD1-CG2 4.29Å; I324-N535 WeakPolarHBondContact CD1-OD1 3.23Å |
| 325 | M | 30 | Very low | 34.8 | Very low | 73 Ų | 73 | 94.1 Ų | 94.1 | 36% | 0.36 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -20.6 | 168.9 | -77.5 | 175 | 59 | 0 | 0 | 114.2 | L313 L320 S321 | L313-M325 HydrophobicContact CD1-CE 4.38Å; L313-M325 HydrophobicContact CD1-SD 3.93Å; L320-M325 HydrophobicContact CB-CG 4.23Å; L320-M325 HydrophobicContact CD1-CG 4.43Å; S321-M325 PolarHBondContact O-N 3.01Å |
| 326 | R | 32.8 | Very low | 35.3 | Very low | 184 Ų | 184 | 86 Ų | 86 | 69% | 0.694 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -2.6 | 173.2 | -71.7 | -179.6 | 173.2 | 105.1 | -14.5 | 114.3 | P322 R323 I324 | P322-R326 WeakPolarHBondContact O-CD 3.43Å; P322-R326 WeakPolarHBondContact O-CG 3.18Å; P322-R326 PolarHBondContact O-NH1 3.44Å; R323-R326 PolarHBondContact O-N 3.17Å; I324-R326 PolarHBondContact O-N 2.86Å; I324-R326 VanDerWaalsContact O-N 3.09Å |
| 327 | R | 33.8 | Very low | 35.6 | Very low | 150 Ų | 150 | 86.6 Ų | 86.6 | 57% | 0.566 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | -16.4 | 178.5 | -82.5 | -172 | 169.5 | -173.3 | -4 | 113.5 | R323 I324 S329 C538 E541 | R323-R327 PolarHBondContact O-N 3.48Å; I324-R327 CarbonylContact O-C 3.58Å; I324-R327 PolarHBondContact O-N 2.9Å; R327-S329 PolarHBondContact O-N 2.8Å; R327-C538 PolarHBondContact NH1-SG 3.47Å; R327-E541 IonicContact NH1-OE1 2.65Å |
| 328 | A | 30.8 | Very low | 35.9 | Very low | 85 Ų | 85 | 85.2 Ų | 85.2 | 70% | 0.702 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -79.7 | 16.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I324 | I324-A328 PolarHBondContact O-N 3.39Š|
| 329 | S | 31.4 | Very low | 36.3 | Very low | 74 Ų | 74 | 81.7 Ų | 81.7 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -61.6 | 138 | 163.3 | 49.6 | 0 | 0 | 0 | 0 | 109.8 | R327 | R327-S329 PolarHBondContact O-N 2.8Š|
| 330 | I | 36.4 | Very low | 37 | Very low | 91 Ų | 91 | 77.7 Ų | 77.7 | 47% | 0.467 | 41% | 0.413 | S | S | . | . | | | trans | -49 | 147.5 | 168.2 | -64.6 | 161.7 | 0 | 0 | 0 | 109.6 | L236 L332 | L236-I330 HydrophobicContact CD1-CD1 3.88Å; L236-I330 HydrophobicContact CD1-CG2 4.39Å; L236-I330 HydrophobicContact CD2-CD1 3.83Å; L236-I330 HydrophobicContact CG-CD1 4.31Å; I330-L332 HydrophobicContact CB-CD2 4.27Å; I330-L332 HydrophobicContact CG2-CD2 4.05Å; I330-L332 PolarHBondContact O-N 3.17Å |
| 331 | K | 38.6 | Very low | 37.6 | Very low | 202 Ų | 202 | 80 Ų | 80 | 88% | 0.878 | 42% | 0.42 | S | S | * | . | | | trans | -70.5 | 79.3 | 171.1 | -99.6 | -172.6 | 174.3 | 179.8 | 0 | 109.2 | | |
| 332 | L | 38.8 | Very low | 37.8 | Very low | 42 Ų | 42 | 82.5 Ų | 82.5 | 22% | 0.22 | 43% | 0.434 | C | S | . | . | | | trans | -67.7 | 143.1 | 170.6 | -56.9 | 174.8 | 0 | 0 | 0 | 109.1 | L236 L239 I330 V336 L340 | L236-L332 HydrophobicContact CD1-CD2 3.89Å; L239-L332 HydrophobicContact CD1-CD1 4.15Å; I330-L332 HydrophobicContact CB-CD2 4.27Å; I330-L332 HydrophobicContact CG2-CD2 4.05Å; I330-L332 PolarHBondContact O-N 3.17Å; L332-V336 HydrophobicContact CB-CB 4.07Å; L332-V336 HydrophobicContact CB-CG1 3.83Å; L332-V336 HydrophobicContact CD1-CG1 3.82Å; L332-V336 HydrophobicContact CD2-CG1 4.13Å; L332-V336 HydrophobicContact CG-CG1 4.12Å; L332-L340 HydrophobicContact CD1-CD1 3.4Å; L332-L340 VanDerWaalsContact CD1-CD1 3.4Å |
| 333 | S | 40.3 | Very low | 37.9 | Very low | 36 Ų | 36 | 80.7 Ų | 80.7 | 25% | 0.252 | 42% | 0.423 | S | S | . | . | | | trans | -56 | 162.5 | 176.9 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | E243 S335 V336 N337 | E243-S333 WeakPolarHBondContact OE1-CB 3.46Å; E243-S333 PolarHBondContact OE1-OG 3.34Å; E243-S333 WeakPolarHBondContact OE2-CB 3.49Å; E243-S333 PolarHBondContact OE2-OG 3.29Å; S333-S335 PolarHBondContact O-N 3Å; S333-S335 PolarHBondContact OG-OG 3.25Å; S333-V336 PolarHBondContact O-N 3.44Å; S333-V336 WeakPolarHBondContact OG-CB 3.38Å; S333-V336 VanDerWaalsContact OG-CG2 3.31Å; S333-V336 WeakPolarHBondContact OG-CG2 3.4Å; S333-V336 PolarHBondContact OG-N 3.26Å; S333-N337 VanDerWaalsContact O-CB 3.22Å; S333-N337 WeakPolarHBondContact O-CB 3.29Å; S333-N337 PolarHBondContact O-N 2.94Å |
| 334 | S | 39.2 | Very low | 38.1 | Very low | 102 Ų | 102 | 80.2 Ų | 80.2 | 71% | 0.713 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.4 | -34.2 | 173 | 39.6 | 0 | 0 | 0 | 0 | 112.2 | C338 | S334-C338 PolarHBondContact O-N 3.09Å |
| 335 | S | 37.6 | Very low | 37.9 | Very low | 37 Ų | 37 | 82 Ų | 82 | 26% | 0.259 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.2 | -62.5 | 173.2 | -8.2 | 0 | 0 | 0 | 0 | 110.7 | E243 S333 N337 C338 L339 | E243-S335 WeakPolarHBondContact OE1-CB 3.37Å; E243-S335 PolarHBondContact OE1-OG 3.39Å; S333-S335 PolarHBondContact O-N 3Å; S333-S335 PolarHBondContact OG-OG 3.25Å; S335-N337 PolarHBondContact O-N 3.32Å; S335-C338 WeakPolarHBondContact O-CA 3.37Å; S335-C338 WeakPolarHBondContact O-CB 3.48Å; S335-C338 PolarHBondContact O-N 2.98Å; S335-L339 WeakPolarHBondContact O-CG 3.41Å; S335-L339 PolarHBondContact O-N 3.07Å |
| 336 | V | 45 | Very low | 38.1 | Very low | 1 Ų | 1 | 81.5 Ų | 81.5 | 1% | 0.006 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63 | -31.4 | 178.9 | 175.1 | 0 | 0 | 0 | 0 | 112 | L239 E243 L332 S333 C338 L339 L340 | L239-V336 HydrophobicContact CB-CG1 3.81Å; L239-V336 HydrophobicContact CD1-CG1 4.11Å; L239-V336 HydrophobicContact CD2-CG1 4.12Å; L239-V336 HydrophobicContact CG-CG1 4.23Å; L239-V336 WeakPolarHBondContact O-CG2 3.37Å; E243-V336 HydrophobicContact CB-CG2 3.71Å; E243-V336 HydrophobicContact CG-CG2 4.32Å; E243-V336 VanDerWaalsContact OE2-CG2 3.31Å; E243-V336 WeakPolarHBondContact OE2-CG2 3.39Å; L332-V336 HydrophobicContact CB-CB 4.07Å; L332-V336 HydrophobicContact CB-CG1 3.83Å; L332-V336 HydrophobicContact CD1-CG1 3.82Å; L332-V336 HydrophobicContact CD2-CG1 4.13Å; L332-V336 HydrophobicContact CG-CG1 4.12Å; S333-V336 PolarHBondContact O-N 3.44Å; S333-V336 WeakPolarHBondContact OG-CB 3.38Å; S333-V336 VanDerWaalsContact OG-CG2 3.31Å; S333-V336 WeakPolarHBondContact OG-CG2 3.4Å; S333-V336 PolarHBondContact OG-N 3.26Å; V336-C338 VanDerWaalsContact C-N 3.29Å; V336-C338 PolarHBondContact O-N 2.9Å; V336-L339 PolarHBondContact O-N 3.35Å; V336-L340 HydrophobicContact CG1-CD1 4.26Å; V336-L340 HydrophobicContact CG1-CG 4.49Å; V336-L340 WeakPolarHBondContact O-CB 3.49Å; V336-L340 PolarHBondContact O-N 2.86Å |
| 337 | N | 44.5 | Very low | 38 | Very low | 75 Ų | 75 | 77.3 Ų | 77.3 | 40% | 0.401 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -72.8 | -21.1 | 175.4 | -147.3 | -70.2 | 0 | 0 | 0 | 112.8 | S333 S335 K341 | S333-N337 VanDerWaalsContact O-CB 3.22Å; S333-N337 WeakPolarHBondContact O-CB 3.29Å; S333-N337 PolarHBondContact O-N 2.94Å; S335-N337 PolarHBondContact O-N 3.32Å; N337-K341 WeakPolarHBondContact O-CD 3.48Å; N337-K341 WeakPolarHBondContact O-CE 2.98Å; N337-K341 WeakPolarHBondContact O-CG 3.47Å; N337-K341 PolarHBondContact O-NZ 3.3Å; N337-K341 PolarHBondContact OD1-NZ 3.47Å |
| 338 | C | 37.2 | Very low | 37.9 | Very low | 78 Ų | 78 | 77.4 Ų | 77.4 | 53% | 0.527 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -80.8 | -42.2 | 166.4 | -80.1 | 0 | 0 | 0 | 0 | 110.9 | S334 S335 V336 K341 T342 | S334-C338 PolarHBondContact O-N 3.09Å; S335-C338 WeakPolarHBondContact O-CA 3.37Å; S335-C338 WeakPolarHBondContact O-CB 3.48Å; S335-C338 PolarHBondContact O-N 2.98Å; V336-C338 VanDerWaalsContact C-N 3.29Å; V336-C338 PolarHBondContact O-N 2.9Å; C338-K341 WeakPolarHBondContact O-CA 3.19Å; C338-K341 WeakPolarHBondContact O-CB 3.31Å; C338-K341 PolarHBondContact O-N 3.23Å; C338-T342 PolarHBondContact O-N 3.16Å; C338-T342 PolarHBondContact O-OG1 2.85Å |
| 339 | L | 42.2 | Very low | 38.1 | Very low | 27 Ų | 27 | 77.5 Ų | 77.5 | 14% | 0.141 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | -179.9 | -69 | 160.7 | 0 | 0 | 0 | 112.4 | E242 L246 S335 V336 K341 T342 S343 | E242-L339 HydrophobicContact CG-CD1 4.02Å; E242-L339 HydrophobicContact CG-CD2 4.42Å; L246-L339 HydrophobicContact CD1-CD1 3.56Å; L246-L339 HydrophobicContact CD1-CD2 3.27Å; L246-L339 HydrophobicContact CD1-CG 4.01Å; S335-L339 WeakPolarHBondContact O-CG 3.41Å; S335-L339 PolarHBondContact O-N 3.07Å; V336-L339 PolarHBondContact O-N 3.35Å; L339-K341 PolarHBondContact O-N 2.82Å; L339-T342 WeakPolarHBondContact CA-OG1 3.48Å; L339-T342 PolarHBondContact O-N 2.92Å; L339-T342 PolarHBondContact O-OG1 2.96Å; L339-S343 WeakPolarHBondContact O-CB 3.38Å; L339-S343 PolarHBondContact O-N 2.91Å; L339-S343 PolarHBondContact O-OG 3.38Å |
| 340 | L | 48.1 | Very low | 38.2 | Very low | 46 Ų | 46 | 78.8 Ų | 78.8 | 24% | 0.241 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -55.5 | -28 | 170.7 | -82.6 | 169.8 | 0 | 0 | 0 | 113.5 | L239 L332 V336 H344 | L239-L340 HydrophobicContact CD1-CD1 4.13Å; L239-L340 HydrophobicContact CD1-CD2 4.21Å; L239-L340 HydrophobicContact CD1-CG 4.3Å; L239-L340 HydrophobicContact CD2-CD2 3.9Å; L239-L340 HydrophobicContact CD2-CG 3.96Å; L332-L340 HydrophobicContact CD1-CD1 3.4Å; L332-L340 VanDerWaalsContact CD1-CD1 3.4Å; V336-L340 HydrophobicContact CG1-CD1 4.26Å; V336-L340 HydrophobicContact CG1-CG 4.49Å; V336-L340 WeakPolarHBondContact O-CB 3.49Å; V336-L340 PolarHBondContact O-N 2.86Å; L340-H344 WeakPolarHBondContact O-CB 3.24Å; L340-H344 PolarHBondContact O-CD2 3.41Å; L340-H344 PolarHBondContact O-N 3.12Å; L340-H344 VanDerWaalsContact O-N 3.09Å |
| 341 | K | 45.7 | Very low | 38 | Very low | 115 Ų | 115 | 79.2 Ų | 79.2 | 50% | 0.5 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -79 | -40.5 | 175.3 | -65.3 | 175.3 | -169.3 | 106.4 | 0 | 111.8 | N337 C338 L339 S345 | N337-K341 WeakPolarHBondContact O-CD 3.48Å; N337-K341 WeakPolarHBondContact O-CE 2.98Å; N337-K341 WeakPolarHBondContact O-CG 3.47Å; N337-K341 PolarHBondContact O-NZ 3.3Å; N337-K341 PolarHBondContact OD1-NZ 3.47Å; C338-K341 WeakPolarHBondContact O-CA 3.19Å; C338-K341 WeakPolarHBondContact O-CB 3.31Å; C338-K341 PolarHBondContact O-N 3.23Å; L339-K341 PolarHBondContact O-N 2.82Å; K341-S345 WeakPolarHBondContact O-CB 3.44Å; K341-S345 PolarHBondContact O-N 3.41Å; K341-S345 PolarHBondContact O-OG 3.45Å |
| 342 | T | 38.3 | Very low | 38 | Very low | 87 Ų | 87 | 73.3 Ų | 73.3 | 53% | 0.534 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 175.4 | 45 | 0 | 0 | 0 | 0 | 111.3 | C338 L339 S345 S346 | C338-T342 PolarHBondContact O-N 3.16Å; C338-T342 PolarHBondContact O-OG1 2.85Å; L339-T342 WeakPolarHBondContact CA-OG1 3.48Å; L339-T342 PolarHBondContact O-N 2.92Å; L339-T342 PolarHBondContact O-OG1 2.96Å; T342-S345 CarbonylContact O-C 3.51Å; T342-S345 WeakPolarHBondContact O-CA 3.29Å; T342-S345 WeakPolarHBondContact O-CB 3.35Å; T342-S345 PolarHBondContact O-N 2.99Å; T342-S346 PolarHBondContact O-N 3.48Å |
| 343 | S | 35.4 | Very low | 38 | Very low | 44 Ų | 44 | 74.9 Ų | 74.9 | 31% | 0.308 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.2 | -34.9 | -179.1 | -49.5 | 0 | 0 | 0 | 0 | 112 | E242 L339 S345 S346 L347 | E242-S343 PolarHBondContact OE1-OG 2.87Å; L339-S343 WeakPolarHBondContact O-CB 3.38Å; L339-S343 PolarHBondContact O-N 2.91Å; L339-S343 PolarHBondContact O-OG 3.38Å; S343-S345 VanDerWaalsContact C-N 3.33Å; S343-S346 PolarHBondContact O-N 3.45Å; S343-L347 WeakPolarHBondContact O-CG 3.48Å; S343-L347 PolarHBondContact O-N 3.1Å; S343-L347 VanDerWaalsContact O-N 3.11Å |
| 344 | H | 36.2 | Very low | 37.9 | Very low | 102 Ų | 102 | 78.6 Ų | 78.6 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.4 | -35.2 | 164.5 | -76.6 | -29.9 | 0 | 0 | 0 | 112.9 | L340 F348 | L340-H344 WeakPolarHBondContact O-CB 3.24Å; L340-H344 PolarHBondContact O-CD2 3.41Å; L340-H344 PolarHBondContact O-N 3.12Å; L340-H344 VanDerWaalsContact O-N 3.09Å; H344-F348 VanDerWaalsContact O-CD2 3.28Å; H344-F348 WeakPolarHBondContact O-CD2 3.41Å; H344-F348 PolarHBondContact O-N 3Å |
| 345 | S | 33.5 | Very low | 37.9 | Very low | 72 Ų | 72 | 80.8 Ų | 80.8 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.1 | -34.2 | 176.5 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | K341 T342 S343 I349 | K341-S345 WeakPolarHBondContact O-CB 3.44Å; K341-S345 PolarHBondContact O-N 3.41Å; K341-S345 PolarHBondContact O-OG 3.45Å; T342-S345 CarbonylContact O-C 3.51Å; T342-S345 WeakPolarHBondContact O-CA 3.29Å; T342-S345 WeakPolarHBondContact O-CB 3.35Å; T342-S345 PolarHBondContact O-N 2.99Å; S343-S345 VanDerWaalsContact C-N 3.33Å; S345-I349 WeakPolarHBondContact O-CD1 3.24Å; S345-I349 WeakPolarHBondContact O-CG1 3.37Å; S345-I349 PolarHBondContact O-N 3.19Å |
| 346 | S | 33.4 | Very low | 38.2 | Very low | 61 Ų | 61 | 86.5 Ų | 86.5 | 43% | 0.427 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66 | -51.3 | 175.1 | -163.8 | 0 | 0 | 0 | 0 | 111.8 | T342 S343 F348 I349 E350 | T342-S346 PolarHBondContact O-N 3.48Å; S343-S346 PolarHBondContact O-N 3.45Å; S346-F348 VanDerWaalsContact C-N 3.27Å; S346-F348 PolarHBondContact O-N 3Å; S346-I349 WeakPolarHBondContact O-CA 3.03Å; S346-I349 WeakPolarHBondContact O-CB 3.17Å; S346-I349 PolarHBondContact O-N 2.9Å; S346-E350 PolarHBondContact O-N 3.43Å |
| 347 | L | 32.2 | Very low | 37.9 | Very low | 97 Ų | 97 | 94.9 Ų | 94.9 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -34.7 | -179 | -71.5 | 166.1 | 0 | 0 | 0 | 112.6 | S343 I349 E350 D351 | S343-L347 WeakPolarHBondContact O-CG 3.48Å; S343-L347 PolarHBondContact O-N 3.1Å; S343-L347 VanDerWaalsContact O-N 3.11Å; L347-I349 PolarHBondContact O-N 2.97Å; L347-E350 PolarHBondContact O-N 3.31Å; L347-D351 WeakPolarHBondContact O-CB 3.5Å; L347-D351 PolarHBondContact O-N 3.26Å |
| 348 | F | 31.4 | Very low | 37.4 | Very low | 152 Ų | 152 | 94.5 Ų | 94.5 | 67% | 0.667 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.8 | -15.7 | 173.1 | -89.1 | -61.2 | 0 | 0 | 0 | 114.4 | H344 S346 V352 | H344-F348 VanDerWaalsContact O-CD2 3.28Å; H344-F348 WeakPolarHBondContact O-CD2 3.41Å; H344-F348 PolarHBondContact O-N 3Å; S346-F348 VanDerWaalsContact C-N 3.27Å; S346-F348 PolarHBondContact O-N 3Å; F348-V352 VanDerWaalsContact O-CG2 3.25Å; F348-V352 WeakPolarHBondContact O-CG2 3.46Å |
| 349 | I | 34.2 | Very low | 37.3 | Very low | 87 Ų | 87 | 99.5 Ų | 99.5 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -86.4 | -43.9 | 171.7 | -65.7 | 164.6 | 0 | 0 | 0 | 109.4 | S345 S346 L347 V352 C353 | S345-I349 WeakPolarHBondContact O-CD1 3.24Å; S345-I349 WeakPolarHBondContact O-CG1 3.37Å; S345-I349 PolarHBondContact O-N 3.19Å; S346-I349 WeakPolarHBondContact O-CA 3.03Å; S346-I349 WeakPolarHBondContact O-CB 3.17Å; S346-I349 PolarHBondContact O-N 2.9Å; L347-I349 PolarHBondContact O-N 2.97Å; I349-V352 PolarHBondContact O-N 3.01Å; I349-C353 PolarHBondContact O-N 2.97Å; I349-C353 PolarHBondContact O-SG 2.91Å; I349-C353 VanDerWaalsContact O-SG 3.36Å |
| 350 | E | 33.8 | Very low | 36.7 | Very low | 101 Ų | 101 | 103.6 Ų | 103.6 | 47% | 0.472 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.9 | -43.1 | 179 | -67.9 | 174.8 | 114.9 | 0 | 0 | 112.7 | S346 L347 V352 C353 N354 | S346-E350 PolarHBondContact O-N 3.43Å; L347-E350 PolarHBondContact O-N 3.31Å; E350-V352 PolarHBondContact O-N 2.67Å; E350-C353 PolarHBondContact O-N 3.48Å; E350-N354 VanDerWaalsContact O-CB 3.31Å; E350-N354 WeakPolarHBondContact O-CB 3.19Å; E350-N354 VanDerWaalsContact O-CG 3.28Å; E350-N354 PolarHBondContact O-N 3.04Å; E350-N354 PolarHBondContact O-ND2 3.15Å |
| 351 | D | 32.2 | Very low | 35.9 | Very low | 100 Ų | 100 | 109.8 Ų | 109.8 | 54% | 0.535 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60 | -33.6 | 174.4 | -89.6 | -20 | 0 | 0 | 0 | 112.4 | L347 Q355 | L347-D351 WeakPolarHBondContact O-CB 3.5Å; L347-D351 PolarHBondContact O-N 3.26Å; D351-Q355 WeakPolarHBondContact O-CB 3.39Å; D351-Q355 VanDerWaalsContact O-CG 3.32Å; D351-Q355 WeakPolarHBondContact O-CG 3.2Å; D351-Q355 PolarHBondContact O-N 3.28Å |
| 352 | V | 39 | Very low | 35.1 | Very low | 77 Ų | 77 | 112 Ų | 112 | 47% | 0.467 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -76.4 | -44.9 | 177.8 | 171.3 | 0 | 0 | 0 | 0 | 111 | F348 I349 E350 N354 Q355 H356 | F348-V352 VanDerWaalsContact O-CG2 3.25Å; F348-V352 WeakPolarHBondContact O-CG2 3.46Å; I349-V352 PolarHBondContact O-N 3.01Å; E350-V352 PolarHBondContact O-N 2.67Å; V352-N354 VanDerWaalsContact C-N 3.34Å; V352-N354 PolarHBondContact O-N 2.89Å; V352-Q355 PolarHBondContact O-N 3.24Å; V352-H356 PolarHBondContact O-CD2 3.47Å; V352-H356 VanDerWaalsContact O-CD2 3.31Å; V352-H356 PolarHBondContact O-N 3.05Å |
| 353 | C | 39.2 | Very low | 34.8 | Very low | 76 Ų | 76 | 112.7 Ų | 112.7 | 51% | 0.514 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -59.6 | -44.1 | 175.3 | -70.7 | 0 | 0 | 0 | 0 | 111.8 | I349 E350 H356 H357 | I349-C353 PolarHBondContact O-N 2.97Å; I349-C353 PolarHBondContact O-SG 2.91Å; I349-C353 VanDerWaalsContact O-SG 3.36Å; E350-C353 PolarHBondContact O-N 3.48Å; C353-H356 PolarHBondContact O-N 2.93Å; C353-H357 PolarHBondContact O-N 3.13Å |
| 354 | N | 38.4 | Very low | 34.6 | Very low | 114 Ų | 114 | 116.3 Ų | 116.3 | 61% | 0.61 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.5 | -32.6 | -179.1 | -70.8 | -36.7 | 0 | 0 | 0 | 112.9 | E350 V352 H356 H357 | E350-N354 VanDerWaalsContact O-CB 3.31Å; E350-N354 WeakPolarHBondContact O-CB 3.19Å; E350-N354 VanDerWaalsContact O-CG 3.28Å; E350-N354 PolarHBondContact O-N 3.04Å; E350-N354 PolarHBondContact O-ND2 3.15Å; V352-N354 VanDerWaalsContact C-N 3.34Å; V352-N354 PolarHBondContact O-N 2.89Å; N354-H356 VanDerWaalsContact C-N 3.26Å; N354-H356 PolarHBondContact O-N 3.15Å; N354-H357 PolarHBondContact O-N 2.97Å |
| 355 | Q | 39.2 | Very low | 34.2 | Very low | 148 Ų | 148 | 120.5 Ų | 120.5 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.3 | -27 | 171.9 | -78.5 | -177.5 | 16 | 0 | 0 | 113.2 | D351 V352 | D351-Q355 WeakPolarHBondContact O-CB 3.39Å; D351-Q355 VanDerWaalsContact O-CG 3.32Å; D351-Q355 WeakPolarHBondContact O-CG 3.2Å; D351-Q355 PolarHBondContact O-N 3.28Å; V352-Q355 PolarHBondContact O-N 3.24Å |
| 356 | H | 42.3 | Very low | 34.1 | Very low | 156 Ų | 156 | 124.2 Ų | 124.2 | 72% | 0.722 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -5.6 | 177.1 | -80.6 | -66.1 | 0 | 0 | 0 | 115 | V352 C353 N354 | V352-H356 PolarHBondContact O-CD2 3.47Å; V352-H356 VanDerWaalsContact O-CD2 3.31Å; V352-H356 PolarHBondContact O-N 3.05Å; C353-H356 PolarHBondContact O-N 2.93Å; N354-H356 VanDerWaalsContact C-N 3.26Å; N354-H356 PolarHBondContact O-N 3.15Å |
| 357 | H | 40.5 | Very low | 34 | Very low | 178 Ų | 178 | 127.8 Ų | 127.8 | 82% | 0.824 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -2.5 | 174.2 | -102.5 | 34.5 | 0 | 0 | 0 | 114.4 | C353 N354 | C353-H357 PolarHBondContact O-N 3.13Å; N354-H357 PolarHBondContact O-N 2.97Å |
| 358 | G | 33.9 | Very low | 33.9 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -84.7 | -4.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 359 | Q | 34.7 | Very low | 33.7 | Very low | 183 Ų | 183 | 126.1 Ų | 126.1 | 86% | 0.855 | 69% | 0.691 | S | S | * | * | | | trans | -105.5 | 81 | -176.5 | -67.7 | -170.9 | 1.3 | 0 | 0 | 111.5 | L361 | Q359-L361 PolarHBondContact O-N 3.31Š|
| 360 | S | 29.4 | Very low | 33.6 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | | | trans | -69.7 | 117 | 166.3 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 361 | L | 31.9 | Very low | 33.3 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | | | trans | -108.1 | 111.4 | 161.3 | -102 | 167.8 | 0 | 0 | 0 | 107.9 | Q359 | Q359-L361 PolarHBondContact O-N 3.31Š|
| 362 | H | 27.8 | Very low | 33.3 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | trans | -85.6 | 119.1 | -177.2 | 165.9 | 49.1 | 0 | 0 | 0 | 110.1 | | |
| 363 | C | 32.5 | Very low | 32.8 | Very low | 101 Ų | 101 | 139 Ų | 139 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | | | trans | -158.9 | 118 | 156.2 | -106.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 364 | D | 31.2 | Very low | 32.4 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | trans | 45.5 | 103.6 | 136.7 | -34.5 | -38.6 | 0 | 0 | 0 | 116.7 | | |
| 365 | E | 27.5 | Very low | 32.2 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | | 45.1 | 88.2 | 81.4 | -66.2 | -161.1 | 146.1 | 0 | 0 | 113.2 | | |
| 366 | D | 30.6 | Very low | 31.8 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | | -170.1 | 167.4 | 116.9 | -117.2 | -26.8 | 0 | 0 | 0 | 114.9 | | |
| 367 | N | 32.9 | Very low | 31 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | 68.2 | 77.6 | 161.8 | -65 | -49.7 | 0 | 0 | 0 | 120.4 | | |
| 368 | S | 30.1 | Very low | 30.5 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | | 65 | 101 | 113.2 | 68.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 369 | S | 26 | Very low | 30.2 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -14.6 | 131.7 | 135 | -42.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 370 | Q | 32.1 | Very low | 30.1 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -160.2 | 130.6 | 140.8 | -102.1 | 157.1 | 50.2 | 0 | 0 | 107 | | |
| 371 | I | 28.1 | Very low | 29.9 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | | | | 69 | 128.8 | 74.4 | -68.9 | 173.3 | 0 | 0 | 0 | 110.4 | | |
| 372 | L | 31.1 | Very low | 30 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | cis | -140.6 | 179 | 12.3 | -164.2 | 50.9 | 0 | 0 | 0 | 112.4 | | |
| 373 | E | 29.2 | Very low | 30.2 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | | | trans | -60.8 | 148.4 | 159.9 | -50.2 | 166.6 | 122.1 | 0 | 0 | 112.2 | | |
| 374 | D | 31.8 | Very low | 30.3 | Very low | 159 Ų | 159 | 145 Ų | 145 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | | | trans | -165.9 | 135 | 133 | -129.7 | -19.1 | 0 | 0 | 0 | 112.8 | | |
| 375 | P | 34.3 | Very low | 30.3 | Very low | 90 Ų | 90 | 144.9 Ų | 144.9 | 58% | 0.584 | 77% | 0.765 | S | S | * | * | | | trans | -109.7 | 160.3 | 167.6 | 36.3 | -27.8 | 0 | 0 | 0 | 113.6 | | |
| 376 | N | 29.2 | Very low | 30.9 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | | | trans | 94.2 | 144.5 | 168.4 | -48.2 | -70.4 | 0 | 0 | 0 | 118.8 | | |
| 377 | N | 27.4 | Very low | 31.1 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | | | trans | 74.4 | 151.7 | 151.8 | -64.9 | -19.8 | 0 | 0 | 0 | 122 | | |
| 378 | S | 29.4 | Very low | 31 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | 60 | 122 | 174.8 | -110.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 379 | I | 27.3 | Very low | 31.1 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | | | cis | 55.3 | 95.3 | 38.5 | -38.4 | 175.1 | 0 | 0 | 0 | 111.9 | | |
| 380 | H | 31.6 | Very low | 31.4 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | | | | -175.4 | 135.9 | 116.8 | -108.3 | -103.9 | 0 | 0 | 0 | 111 | | |
| 381 | F | 26.6 | Very low | 31.4 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | | | trans | 16.4 | 142.8 | 146.7 | -64.9 | -110.6 | 0 | 0 | 0 | 121.4 | | |
| 382 | I | 34.4 | Very low | 31.5 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | | | | -154.2 | 153.7 | 108.8 | -95.4 | 149.8 | 0 | 0 | 0 | 108.6 | | |
| 383 | E | 30.9 | Very low | 31.7 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | | | trans | -90.2 | 138.4 | -176.4 | -59.9 | 166.4 | 102.5 | 0 | 0 | 112.1 | | |
| 384 | D | 34.3 | Very low | 31.8 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 94% | 0.936 | 76% | 0.755 | S | S | * | * | | | trans | -102.9 | 92.6 | 161.1 | -92.6 | -37.1 | 0 | 0 | 0 | 109.4 | | |
| 385 | N | 32 | Very low | 31.9 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | | | trans | -106.4 | 121 | 164.5 | -86.4 | -54.1 | 0 | 0 | 0 | 108.8 | | |
| 386 | H | 38.7 | Very low | 31.9 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | | | | -174.7 | 111.2 | 127.4 | -96 | -49.7 | 0 | 0 | 0 | 114.1 | | |
| 387 | N | 34.9 | Very low | 32.3 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | | | | 50.8 | 104 | 128.1 | -56.7 | 20.1 | 0 | 0 | 0 | 120 | | |
| 388 | D | 32.3 | Very low | 32.5 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | | | | 62.4 | 113.5 | 114.2 | -65.8 | -7.4 | 0 | 0 | 0 | 122.1 | | |
| 389 | T | 31.1 | Very low | 32.5 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | | 71.7 | 101 | 122 | -53.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 390 | T | 32 | Very low | 32.6 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | | -167.4 | 161.6 | 111.6 | 17.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 391 | N | 31.9 | Very low | 32.8 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | trans | 64.7 | 61.2 | 157 | -57.2 | -22.6 | 0 | 0 | 0 | 118.9 | I393 | N391-I393 PolarHBondContact O-N 2.85Š|
| 392 | S | 30.6 | Very low | 33.2 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | | | trans | -76.5 | 112 | 150.8 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 393 | I | 35.4 | Very low | 33.3 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -109.1 | 125.2 | 170.2 | -64.8 | 179.7 | 0 | 0 | 0 | 108.4 | N391 | N391-I393 PolarHBondContact O-N 2.85Š|
| 394 | A | 32.8 | Very low | 33.7 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 154 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 395 | P | 33.2 | Very low | 33.7 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -83 | 155.6 | -145.6 | 30.3 | -37.2 | 0 | 0 | 0 | 116.3 | | |
| 396 | T | 34.8 | Very low | 33.8 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 145.7 | 172 | 40.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 397 | K | 36.8 | Very low | 33.7 | Very low | 201 Ų | 201 | 140.7 Ų | 140.7 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 151.5 | 173.2 | -64.8 | 172.6 | 178.9 | 172.7 | 0 | 110.8 | | |
| 398 | K | 31.2 | Very low | 33.9 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | 77.3 | 74.8 | 144.9 | -163.3 | -173.2 | -178 | -177.9 | 0 | 117.8 | | |
| 399 | L | 29.5 | Very low | 34 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -155.5 | 171.2 | 142.3 | -106.9 | 160.3 | 0 | 0 | 0 | 109.9 | | |
| 400 | T | 30.6 | Very low | 34.2 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | | | trans | 53.8 | 99.5 | -178.7 | 59.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 401 | K | 34.1 | Very low | 34.5 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | | | trans | -132.4 | -0.4 | 159.6 | -145.3 | 174.8 | -174.9 | 177.7 | 0 | 115.2 | | |
| 402 | E | 36.8 | Very low | 34.6 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -17.4 | -177.5 | -62.4 | -178.7 | 133 | 0 | 0 | 113.9 | S404 | E402-S404 VanDerWaalsContact C-N 3.35Å; E402-S404 PolarHBondContact O-N 3.35Å |
| 403 | S | 35.5 | Very low | 34.6 | Very low | 78 Ų | 78 | 146.3 Ų | 146.3 | 55% | 0.545 | 77% | 0.766 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.8 | -17.1 | -175.8 | -164.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 404 | S | 38.8 | Very low | 34.5 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 55% | 0.545 | 77% | 0.765 | S | S | . | * | S | Bend | trans | -77.1 | -29.3 | -165.9 | -168 | 0 | 0 | 0 | 0 | 115 | E402 | E402-S404 VanDerWaalsContact C-N 3.35Å; E402-S404 PolarHBondContact O-N 3.35Å |
| 405 | I | 35.6 | Very low | 34.5 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -75.7 | -33.7 | -176.5 | -61.4 | 178.3 | 0 | 0 | 0 | 111.4 | Q407 | I405-Q407 PolarHBondContact O-N 2.85Š|
| 406 | M | 32.5 | Very low | 34.4 | Very low | 150 Ų | 150 | 147.1 Ų | 147.1 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -65.8 | -17.6 | 177.4 | -74.3 | -79.6 | -83.6 | 0 | 0 | 113.9 | N410 | M406-N410 PolarHBondContact O-ND2 2.79Š|
| 407 | Q | 38.7 | Very low | 34.4 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -87.4 | -16.9 | -174.6 | -69 | -177.3 | -15.2 | 0 | 0 | 114.5 | I405 | I405-Q407 PolarHBondContact O-N 2.85Š|
| 408 | K | 38.5 | Very low | 34.2 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -2.9 | -176 | -83 | -170.7 | 174.1 | -177.9 | 0 | 116.4 | | |
| 409 | L | 34.5 | Very low | 34.3 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 7.9 | 173.3 | -70.8 | 171.5 | 0 | 0 | 0 | 113.8 | | |
| 410 | N | 35.2 | Very low | 34.3 | Very low | 94 Ų | 94 | 147 Ų | 147 | 50% | 0.503 | 76% | 0.757 | S | S | . | * | | | trans | -97.4 | 32.2 | -175.8 | -92.7 | -84.5 | 0 | 0 | 0 | 113.7 | M406 K418 | M406-N410 PolarHBondContact O-ND2 2.79Å; N410-K418 PolarHBondContact OD1-NZ 3.21Å |
| 411 | K | 37.3 | Very low | 34.2 | Very low | 199 Ų | 199 | 148 Ų | 148 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -123 | 40.9 | -174.6 | -75.1 | -161.5 | 172.9 | -168 | 0 | 115.3 | | |
| 412 | S | 33.6 | Very low | 33.8 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -161.7 | 47.1 | 169.5 | 65.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 413 | I | 32.4 | Very low | 33.6 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -138.3 | 130.1 | 174.2 | -55.5 | 179.7 | 0 | 0 | 0 | 108.5 | | |
| 414 | P | 32.8 | Very low | 33.3 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | | | trans | -61.2 | 149.1 | 176.6 | -24.7 | 35.3 | 0 | 0 | 0 | 114 | A416 | P414-A416 PolarHBondContact O-N 3.15Š|
| 415 | L | 31.5 | Very low | 32.6 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 95% | 0.953 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -82.1 | 94.4 | -178.7 | -72.7 | 80.4 | 0 | 0 | 0 | 111.1 | | |
| 416 | A | 32.6 | Very low | 32.4 | Very low | 81 Ų | 81 | 148.1 Ų | 148.1 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -141 | -19.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P414 | P414-A416 PolarHBondContact O-N 3.15Š|
| 417 | F | 34.5 | Very low | 32.1 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -124 | 45.6 | -169.4 | -87.9 | -87.1 | 0 | 0 | 0 | 114.1 | | |
| 418 | K | 32.1 | Very low | 31.7 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -135.4 | 69.4 | 176.5 | -83.4 | -173 | 175.6 | 171.8 | 0 | 113.4 | N410 | N410-K418 PolarHBondContact OD1-NZ 3.21Š|
| 419 | S | 33.6 | Very low | 31.1 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -151.9 | 122.9 | 161.9 | 56.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 420 | R | 30.1 | Very low | 30.8 | Very low | 238 Ų | 238 | 146 Ų | 146 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 63.7 | 133.3 | 175.3 | -49.4 | 177.4 | -179.9 | -170.5 | -1.3 | 113.6 | | |
| 421 | L | 28.1 | Very low | 30.3 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | | | cis | -126.3 | 141.9 | 10.9 | -73.5 | 161.2 | 0 | 0 | 0 | 112 | | |
| 422 | T | 25.8 | Very low | 30 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -136.4 | 107.3 | 160.6 | 50.2 | 0 | 0 | 0 | 0 | 108 | | |
| 423 | S | 31.2 | Very low | 29.6 | Very low | 89 Ų | 89 | 151.6 Ų | 151.6 | 62% | 0.622 | 81% | 0.805 | S | S | * | * | | | trans | -152.8 | 97.4 | -179.2 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 424 | N | 29.8 | Very low | 29.4 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | 58.4 | 118.9 | 137.8 | -52.4 | -14.8 | 0 | 0 | 0 | 120.4 | | |
| 425 | L | 24.9 | Very low | 29.2 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -69.1 | 130.4 | 152.2 | -81.9 | 68.7 | 0 | 0 | 0 | 109.7 | | |
| 426 | V | 31 | Very low | 28.9 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | -138.1 | 143.9 | 153.4 | -177.8 | 0 | 0 | 0 | 0 | 108 | | |
| 427 | K | 26.9 | Very low | 28.8 | Very low | 196 Ų | 196 | 148.6 Ų | 148.6 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | | | trans | -97.1 | 142.8 | 178.1 | -67.8 | 175.9 | 174.8 | 178.4 | 0 | 111.4 | | |
| 428 | S | 30.2 | Very low | 28.4 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -156.4 | 160.8 | 143.4 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 429 | N | 26.1 | Very low | 28.3 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -116.1 | 146.4 | -171.6 | -52.2 | -30.5 | 0 | 0 | 0 | 111.4 | | |
| 430 | C | 27.1 | Very low | 27.8 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | trans | 177.5 | 114.9 | 136.9 | -86.9 | 0 | 0 | 0 | 0 | 105.4 | | |
| 431 | D | 25.8 | Very low | 27.8 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | | | | 71.5 | 102.2 | 50.8 | -145.9 | -8.5 | 0 | 0 | 0 | 112.8 | | |
| 432 | I | 30.1 | Very low | 27.6 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | 179.8 | 126.1 | 133.7 | -89 | 154 | 0 | 0 | 0 | 111.3 | | |
| 433 | R | 24.9 | Very low | 27.5 | Very low | 218 Ų | 218 | 138.4 Ų | 138.4 | 82% | 0.823 | 81% | 0.808 | S | S | * | * | | | trans | -11.7 | 146.4 | 156.6 | -52.1 | 169.9 | -173.4 | -171.5 | -1.1 | 116.6 | | |
| 434 | T | 28.4 | Very low | 27.3 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | | -157.4 | 140.2 | 59.8 | 18.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 435 | S | 28.4 | Very low | 27.1 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | | | trans | 16.8 | 158.7 | 141.5 | 57.8 | 0 | 0 | 0 | 0 | 124.4 | | |
| 436 | A | 25.8 | Very low | 27.2 | Very low | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | | | cis | 166.5 | 126.2 | -32.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 437 | S | 29.8 | Very low | 26.9 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | -174.7 | 121.2 | 152.6 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 438 | S | 26.4 | Very low | 27 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | | | trans | -84.6 | 172.2 | 173.8 | -49.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 439 | P | 29.4 | Very low | 26.8 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | | | | -133.7 | 151.1 | 100.3 | 38 | -30.8 | 0 | 0 | 0 | 114.2 | | |
| 440 | S | 24.1 | Very low | 26.8 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | trans | -135.2 | 128.4 | 168.8 | 56.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 441 | L | 29.4 | Very low | 26.8 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | trans | -130.7 | 127 | 170.6 | -78.5 | 173.3 | 0 | 0 | 0 | 110 | | |
| 442 | C | 23.9 | Very low | 26.9 | Very low | 114 Ų | 114 | 139 Ų | 139 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | trans | -90.7 | 179.2 | 160.5 | -63.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 443 | D | 25.2 | Very low | 26.9 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | | | trans | 53 | 94.9 | 166.7 | -63.4 | -34.8 | 0 | 0 | 0 | 118.4 | | |
| 444 | S | 26.6 | Very low | 26.9 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | | -164.4 | 131.2 | 125.8 | -82.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 445 | G | 25.2 | Very low | 27 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | | | trans | -81.9 | 120.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 446 | I | 27.2 | Very low | 26.9 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | -127.9 | 127.9 | -180 | -52.2 | -179.2 | 0 | 0 | 0 | 110 | L448 | I446-L448 PolarHBondContact O-N 2.82Š|
| 447 | F | 24.3 | Very low | 27.1 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | | | trans | -67.2 | 124.1 | 169.6 | -88.6 | -109.6 | 0 | 0 | 0 | 110.3 | R449 | F447-R449 VanDerWaalsContact C-N 3.32Å; F447-R449 HydrophobicContact CD1-CG 4.43Å; F447-R449 PolarHBondContact O-N 3.36Å |
| 448 | L | 28.7 | Very low | 27.1 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | -94.6 | 67.7 | 157.2 | -99.3 | 151.3 | 0 | 0 | 0 | 110 | I446 Q450 | I446-L448 PolarHBondContact O-N 2.82Å; L448-Q450 PolarHBondContact O-N 3.05Å |
| 449 | R | 25.6 | Very low | 27.1 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | trans | -66.6 | 113.5 | 147.6 | -88.4 | -180 | 167.5 | -118.1 | 3 | 106.1 | F447 T451 | F447-R449 VanDerWaalsContact C-N 3.32Å; F447-R449 HydrophobicContact CD1-CG 4.43Å; F447-R449 PolarHBondContact O-N 3.36Å; R449-T451 PolarHBondContact O-N 3.26Å |
| 450 | Q | 27 | Very low | 27 | Very low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | trans | -75.1 | 74.4 | 157.9 | -76.8 | -172.6 | -58.7 | 0 | 0 | 108.6 | L448 I452 | L448-Q450 PolarHBondContact O-N 3.05Å; Q450-I452 PolarHBondContact O-N 2.9Å |
| 451 | T | 27.2 | Very low | 27.3 | Very low | 90 Ų | 90 | 139.3 Ų | 139.3 | 55% | 0.552 | 77% | 0.769 | S | S | * | * | | | trans | -66.1 | 112.2 | 158.6 | -55.1 | 0 | 0 | 0 | 0 | 106.3 | R449 E453 | R449-T451 PolarHBondContact O-N 3.26Å; T451-E453 HydrophobicContact CG2-CG 4.2Å; T451-E453 PolarHBondContact O-N 3.46Å; T451-E453 VanDerWaalsContact O-N 3.14Å |
| 452 | I | 28.4 | Very low | 27.2 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | trans | -77.8 | 97.2 | 173 | -59.6 | 175 | 0 | 0 | 0 | 106.8 | Q450 T454 | Q450-I452 PolarHBondContact O-N 2.9Å; I452-T454 PolarHBondContact O-N 2.79Å |
| 453 | E | 28.9 | Very low | 27.4 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | -72.1 | 108.9 | 176.6 | -71.2 | -169.9 | 142.8 | 0 | 0 | 110.6 | T451 T455 | T451-E453 HydrophobicContact CG2-CG 4.2Å; T451-E453 PolarHBondContact O-N 3.46Å; T451-E453 VanDerWaalsContact O-N 3.14Å; E453-T455 PolarHBondContact O-N 2.64Å |
| 454 | T | 26.2 | Very low | 27.5 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | | | trans | -68.9 | 95 | 178.2 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | I452 T456 | I452-T454 PolarHBondContact O-N 2.79Å; T454-T456 PolarHBondContact O-N 3.24Å |
| 455 | T | 29.7 | Very low | 27.7 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | trans | -92.5 | 91.9 | 171 | -54.4 | 0 | 0 | 0 | 0 | 110.1 | E453 | E453-T455 PolarHBondContact O-N 2.64Š|
| 456 | T | 26 | Very low | 27.7 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | trans | -102.6 | 90 | -175.1 | -55 | 0 | 0 | 0 | 0 | 112.3 | T454 | T454-T456 PolarHBondContact O-N 3.24Š|
| 457 | T | 30.5 | Very low | 27.8 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | | | trans | -138.8 | 104.7 | 164.8 | 49.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 458 | K | 28.4 | Very low | 28 | Very low | 179 Ų | 179 | 136 Ų | 136 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | | | | 100.1 | 101.5 | 61.3 | -93.4 | -170.7 | 174.2 | -178.2 | 0 | 111.9 | | |
| 459 | T | 26.4 | Very low | 28.1 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | 65.9 | 156.1 | 144.4 | 29.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 460 | T | 28.4 | Very low | 28.3 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | | | cis | -154.3 | 164.1 | 11 | -12.7 | 0 | 0 | 0 | 0 | 111 | | |
| 461 | V | 30.3 | Very low | 28.4 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | | | trans | 57.9 | 105.3 | 147.9 | 166.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 462 | E | 26.8 | Very low | 28.6 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | | 58.9 | 121.2 | 73.9 | -64.9 | -167.7 | 152.3 | 0 | 0 | 115.7 | | |
| 463 | T | 29.2 | Very low | 28.8 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | | | trans | -159 | 119.8 | 135.6 | -70.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 464 | A | 27.2 | Very low | 28.8 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | | | trans | -100.2 | 140.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 465 | T | 29.8 | Very low | 29 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | -136.2 | 128.8 | 168.4 | -44.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 466 | S | 25.8 | Very low | 29 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | | | trans | -88.6 | 147.8 | -177.1 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 467 | A | 28.5 | Very low | 29.2 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | | | trans | -138.2 | 122.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 468 | Q | 29.7 | Very low | 29.1 | Very low | 158 Ų | 158 | 125 Ų | 125 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | | 61.5 | 125.9 | 100.3 | -60.2 | 167.3 | 11.6 | 0 | 0 | 112.2 | | |
| 469 | F | 30.1 | Very low | 29.1 | Very low | 173 Ų | 173 | 122.5 Ų | 122.5 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | cis | -134.7 | 143 | 28.4 | -68.6 | -96.9 | 0 | 0 | 0 | 109.3 | | |
| 470 | S | 28.7 | Very low | 29.3 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | | | | 50.2 | 135.7 | 67.3 | 73.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 471 | S | 30.3 | Very low | 29.2 | Very low | 81 Ų | 81 | 124 Ų | 124 | 57% | 0.566 | 75% | 0.749 | S | S | * | * | | | cis | -172.9 | 159.7 | 2.6 | 36.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 472 | F | 30.3 | Very low | 29.3 | Very low | 196 Ų | 196 | 124.9 Ų | 124.9 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | | | | 168.2 | 149.7 | 113.7 | -90.7 | -69 | 0 | 0 | 0 | 112.2 | | |
| 473 | P | 34.3 | Very low | 29.3 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | trans | -129.5 | -157.4 | -169.2 | 44 | -27.2 | 0 | 0 | 0 | 114 | | |
| 474 | S | 27.9 | Very low | 29.2 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | 91.9 | 154.8 | 166.8 | -28.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 475 | S | 29.9 | Very low | 29.4 | Very low | 97 Ų | 97 | 124 Ų | 124 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | cis | -149.4 | 155.6 | 10.8 | 61 | 0 | 0 | 0 | 0 | 114.1 | | |
| 476 | S | 29.7 | Very low | 29.3 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | trans | 48.1 | 146.2 | 141.1 | 65.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 477 | V | 30.3 | Very low | 29.5 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | | | cis | -142.2 | 151.6 | 32.3 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 478 | S | 27.9 | Very low | 29.3 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | -42 | 172.9 | 160.7 | -36.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 479 | T | 30 | Very low | 29.3 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | | | cis | -156.7 | -171.6 | 12.8 | -15 | 0 | 0 | 0 | 0 | 107 | | |
| 480 | V | 29.3 | Very low | 29.2 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | | | cis | -140.5 | 171.2 | 11.3 | -158.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 481 | L | 27.4 | Very low | 29.2 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | -77.1 | 154.6 | 163.1 | -71.2 | 69.8 | 0 | 0 | 0 | 109.5 | | |
| 482 | T | 31.9 | Very low | 28.9 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | | -167.5 | 153.2 | 72.5 | 41.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 483 | N | 26.9 | Very low | 28.9 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | -22.4 | 157.2 | 166.5 | -50.6 | -16.1 | 0 | 0 | 0 | 120.2 | | |
| 484 | T | 27.6 | Very low | 28.6 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | | | trans | 122.3 | 112.1 | 136.4 | -41.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 485 | T | 31.2 | Very low | 28.7 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | 45 | 128.7 | 160.3 | 55.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 486 | Q | 27.2 | Very low | 28.7 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | | | trans | -11.5 | 164.4 | 137.6 | -79.6 | -172.9 | 9.6 | 0 | 0 | 119.9 | | |
| 487 | P | 30.2 | Very low | 28.6 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 62% | 0.623 | 77% | 0.767 | S | S | * | * | | | cis | -137 | -174.7 | -10.7 | 37.6 | -18.8 | 0 | 0 | 0 | 114.4 | | |
| 488 | L | 25.3 | Very low | 28.6 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | | | trans | 57.6 | 135.2 | 162 | -91.6 | 70.7 | 0 | 0 | 0 | 116.8 | | |
| 489 | S | 28 | Very low | 28.7 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | cis | -171.2 | 163.3 | 23.5 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 490 | S | 29 | Very low | 28.6 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | 50 | 85.9 | 150.1 | 61 | 0 | 0 | 0 | 0 | 119.6 | | |
| 491 | Q | 29.3 | Very low | 28.8 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | | | trans | -144.1 | 124.5 | 131.9 | -119.1 | 175.9 | 20.1 | 0 | 0 | 112.5 | | |
| 492 | S | 23.9 | Very low | 29.1 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | trans | -4.6 | 117.4 | 170.9 | 53.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 493 | N | 29.4 | Very low | 29 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | -152.3 | 154.4 | 134.9 | -107.4 | -48.1 | 0 | 0 | 0 | 112.2 | I495 | N493-I495 PolarHBondContact O-N 3.29Š|
| 494 | K | 29.4 | Very low | 29.1 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 122.8 | -163.6 | -63.7 | 167.1 | -179 | 173 | 0 | 113.4 | I496 | K494-I496 PolarHBondContact O-N 3.31Š|
| 495 | I | 28.6 | Very low | 29.4 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 121.9 | 164.1 | -62.6 | 174.4 | 0 | 0 | 0 | 108.2 | N493 | N493-I495 PolarHBondContact O-N 3.29Š|
| 496 | I | 29.2 | Very low | 29.4 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 126.1 | 168.6 | -61.4 | 172.1 | 0 | 0 | 0 | 106.9 | K494 I498 | K494-I496 PolarHBondContact O-N 3.31Å; I496-I498 PolarHBondContact O-N 3.23Å |
| 497 | P | 29.1 | Very low | 30.4 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 62% | 0.617 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 116.8 | 177.4 | 28.4 | -33.3 | 0 | 0 | 0 | 110 | I499 | P497-I499 VanDerWaalsContact C-N 3.34Å; P497-I499 HydrophobicContact CB-CG1 4.16Å; P497-I499 PolarHBondContact O-N 2.97Å |
| 498 | I | 29.2 | Very low | 31.4 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | | | trans | -76.1 | 91.3 | 168.6 | -59.4 | 174.8 | 0 | 0 | 0 | 106.7 | I496 | I496-I498 PolarHBondContact O-N 3.23Š|
| 499 | I | 30 | Very low | 32.9 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 123.9 | 176.8 | -60.3 | 176.7 | 0 | 0 | 0 | 108 | P497 | P497-I499 VanDerWaalsContact C-N 3.34Å; P497-I499 HydrophobicContact CB-CG1 4.16Å; P497-I499 PolarHBondContact O-N 2.97Å |
| 500 | N | 27.7 | Very low | 34.8 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 129.3 | 174.6 | -78 | -16.4 | 0 | 0 | 0 | 110.5 | K502 | N500-K502 PolarHBondContact O-N 3.07Š|
| 501 | P | 34.2 | Very low | 37 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 118.8 | 167.7 | 28 | -32.1 | 0 | 0 | 0 | 108.3 | | |
| 502 | K | 34.9 | Very low | 39.5 | Very low | 178 Ų | 178 | 131.8 Ų | 131.8 | 77% | 0.774 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 154.3 | 174 | -66.8 | 179.6 | 178.6 | 178.9 | 0 | 109.9 | N500 E504 | N500-K502 PolarHBondContact O-N 3.07Å; K502-E504 HydrophobicContact CB-CG 4.42Å; K502-E504 PolarHBondContact O-N 2.99Å |
| 503 | E | 29 | Very low | 42.1 | Very low | 186 Ų | 186 | 130.5 Ų | 130.5 | 87% | 0.869 | 67% | 0.671 | S | S | * | * | | | trans | -70.2 | 69.1 | 169.6 | -62.8 | 175.9 | 120.6 | 0 | 0 | 111.3 | I505 | E503-I505 PolarHBondContact O-N 2.7Š|
| 504 | E | 29.5 | Very low | 44.6 | Very low | 164 Ų | 164 | 123.3 Ų | 123.3 | 77% | 0.766 | 63% | 0.632 | S | S | * | * | | | trans | -76.5 | 92.5 | 168.3 | -67.3 | -159.2 | 161.1 | 0 | 0 | 109.3 | K502 C506 | K502-E504 HydrophobicContact CB-CG 4.42Å; K502-E504 PolarHBondContact O-N 2.99Å; E504-C506 PolarHBondContact O-N 2.9Å |
| 505 | I | 33.9 | Very low | 47.2 | Very low | 144 Ų | 144 | 117.6 Ų | 117.6 | 74% | 0.738 | 61% | 0.609 | S | S | * | * | | | trans | -50.9 | 98.4 | 169.8 | -58.9 | 171.9 | 0 | 0 | 0 | 108.5 | E503 N507 | E503-I505 PolarHBondContact O-N 2.7Å; I505-N507 PolarHBondContact O-N 3.39Å |
| 506 | C | 31.7 | Very low | 49.9 | Very low | 119 Ų | 119 | 113.7 Ų | 113.7 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | | | trans | -68.2 | 108.4 | -169.2 | -167.1 | 0 | 0 | 0 | 0 | 110 | E504 P508 | E504-C506 PolarHBondContact O-N 2.9Å; C506-P508 WeakPolarHBondContact O-CD 3.36Å |
| 507 | N | 46.9 | Very low | 52.5 | Low | 60 Ų | 60 | 109 Ų | 109 | 32% | 0.321 | 57% | 0.568 | S | S | . | * | | | trans | -101.9 | 103.2 | 179.7 | -172.9 | -54 | 0 | 0 | 0 | 108.7 | I505 Y509 Y576 R580 | I505-N507 PolarHBondContact O-N 3.39Å; N507-Y509 PolarHBondContact O-N 2.84Å; N507-Y576 PolarHBondContact ND2-OH 3.22Å; N507-Y576 VanDerWaalsContact ND2-OH 3.14Å; N507-Y576 PolarHBondContact OD1-OH 2.94Å; N507-R580 PolarHBondContact OD1-NH1 3.27Å; N507-R580 PolarHBondContact OD1-NH2 2.89Å |
| 508 | P | 52.2 | Low | 55.3 | Low | 98 Ų | 98 | 104.8 Ų | 104.8 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | | | trans | -77.1 | 8.5 | -160.2 | 30.4 | -37.1 | 0 | 0 | 0 | 115.6 | C506 | C506-P508 WeakPolarHBondContact O-CD 3.36Š|
| 509 | Y | 55.6 | Low | 58.1 | Low | 68 Ų | 68 | 99.9 Ų | 99.9 | 27% | 0.267 | 52% | 0.522 | S | S | . | . | | | trans | -113.3 | 142.2 | -179.6 | -68.1 | -66.7 | 0 | 0 | 0 | 112.3 | L142 N507 I514 Y576 R580 | L142-Y509 WeakPolarHBondContact CD1-OH 3.4Å; L142-Y509 WeakPolarHBondContact CG-OH 3.42Å; N507-Y509 PolarHBondContact O-N 2.84Å; Y509-I514 HydrophobicContact CG-CD1 4.46Å; Y509-I514 HydrophobicContact CG-CG1 4.27Å; Y509-Y576 HydrophobicContact CD2-CE1 4.49Å; Y509-R580 PolarHBondContact O-NH1 3.47Å; Y509-R580 PolarHBondContact O-NH2 3.02Å |
| 510 | N | 69 | Low | 60.8 | Low | 94 Ų | 94 | 99.7 Ų | 99.7 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | | | trans | -75.7 | 148.4 | 155.4 | -162.4 | -35.8 | 0 | 0 | 0 | 109 | K512 D513 I514 | N510-K512 HydrophobicContact CB-CB 4.36Å; N510-K512 PolarHBondContact O-N 2.84Å; N510-K512 PolarHBondContact OD1-N 2.98Å; N510-D513 WeakPolarHBondContact CA-OD2 3.4Å; N510-D513 WeakPolarHBondContact CB-OD2 3.39Å; N510-D513 PolarHBondContact N-OD2 2.98Å; N510-D513 PolarHBondContact O-N 3.14Å; N510-I514 PolarHBondContact O-N 3.49Å |
| 511 | F | 74.8 | Confident | 63.8 | Low | 86 Ų | 86 | 94.4 Ų | 94.4 | 38% | 0.377 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -54.8 | -37.2 | 166.9 | 178.5 | -87 | 0 | 0 | 0 | 110.6 | D513 I514 Q515 T577 | F511-D513 VanDerWaalsContact C-N 3.34Å; F511-D513 PolarHBondContact O-N 2.77Å; F511-I514 PolarHBondContact O-N 2.77Å; F511-Q515 HydrophobicContact CD1-CG 3.83Å; F511-Q515 HydrophobicContact CE1-CG 3.53Å; F511-Q515 HydrophobicContact CZ-CG 4.04Å; F511-Q515 WeakPolarHBondContact O-CG 3.47Å; F511-Q515 PolarHBondContact O-N 2.73Å; F511-T577 HydrophobicContact CD2-CG2 3.87Å; F511-T577 HydrophobicContact CE2-CG2 3.44Å; F511-T577 VanDerWaalsContact CE2-CG2 3.44Å; F511-T577 HydrophobicContact CZ-CG2 4.38Å |
| 512 | K | 81.1 | Confident | 66.6 | Low | 153 Ų | 153 | 92.3 Ų | 92.3 | 67% | 0.665 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58.4 | -41 | 176.8 | -166.7 | 173.9 | -177.1 | 177.5 | 0 | 113 | N510 Q515 Q516 | N510-K512 HydrophobicContact CB-CB 4.36Å; N510-K512 PolarHBondContact O-N 2.84Å; N510-K512 PolarHBondContact OD1-N 2.98Å; K512-Q515 PolarHBondContact O-N 2.91Å; K512-Q516 WeakPolarHBondContact O-CB 3.32Å; K512-Q516 PolarHBondContact O-N 2.66Å |
| 513 | D | 78.8 | Confident | 69.2 | Low | 75 Ų | 75 | 88.1 Ų | 88.1 | 40% | 0.401 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.7 | -40.1 | -178.3 | -43.8 | -30 | 0 | 0 | 0 | 110.8 | N510 F511 Q516 A517 | N510-D513 WeakPolarHBondContact CA-OD2 3.4Å; N510-D513 WeakPolarHBondContact CB-OD2 3.39Å; N510-D513 PolarHBondContact N-OD2 2.98Å; N510-D513 PolarHBondContact O-N 3.14Å; F511-D513 VanDerWaalsContact C-N 3.34Å; F511-D513 PolarHBondContact O-N 2.77Å; D513-Q516 PolarHBondContact O-N 3.31Å; D513-A517 WeakPolarHBondContact O-CB 3.48Å; D513-A517 PolarHBondContact O-N 2.76Å |
| 514 | I | 81.1 | Confident | 72.2 | Confident | 8 Ų | 8 | 83.1 Ų | 83.1 | 4% | 0.041 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 177.6 | -59.1 | 158.6 | 0 | 0 | 0 | 110.2 | Y509 N510 F511 A517 I518 L573 Y576 T577 | Y509-I514 HydrophobicContact CG-CD1 4.46Å; Y509-I514 HydrophobicContact CG-CG1 4.27Å; N510-I514 PolarHBondContact O-N 3.49Å; F511-I514 PolarHBondContact O-N 2.77Å; I514-A517 PolarHBondContact O-N 2.91Å; I514-I518 HydrophobicContact CG2-CD1 4.06Å; I514-I518 WeakPolarHBondContact O-CG1 3.49Å; I514-I518 PolarHBondContact O-N 3.11Å; I514-L573 HydrophobicContact CG2-CB 4.16Å; I514-L573 HydrophobicContact CG2-CD2 4.47Å; I514-Y576 HydrophobicContact CD1-CD1 3.86Å; I514-Y576 HydrophobicContact CD1-CE1 3.82Å; I514-T577 WeakPolarHBondContact CG2-OG1 3.41Å |
| 515 | Q | 85.9 | Confident | 75.2 | Confident | 72 Ų | 72 | 76 Ų | 76 | 34% | 0.336 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 174.5 | -66.9 | -62.6 | -15.9 | 0 | 0 | 111.5 | F511 K512 A517 I518 S519 | F511-Q515 HydrophobicContact CD1-CG 3.83Å; F511-Q515 HydrophobicContact CE1-CG 3.53Å; F511-Q515 HydrophobicContact CZ-CG 4.04Å; F511-Q515 WeakPolarHBondContact O-CG 3.47Å; F511-Q515 PolarHBondContact O-N 2.73Å; K512-Q515 PolarHBondContact O-N 2.91Å; Q515-A517 VanDerWaalsContact C-N 3.32Å; Q515-A517 PolarHBondContact O-N 3.25Å; Q515-I518 PolarHBondContact O-N 3.12Å; Q515-S519 PolarHBondContact O-N 3.17Å; Q515-S519 PolarHBondContact O-OG 3.22Å; Q515-S519 VanDerWaalsContact O-OG 3.06Å |
| 516 | Q | 85 | Confident | 78 | Confident | 80 Ų | 80 | 73.4 Ų | 73.4 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 176.4 | -167.7 | 177 | 17.1 | 0 | 0 | 112.1 | K512 D513 S519 W520 | K512-Q516 WeakPolarHBondContact O-CB 3.32Å; K512-Q516 PolarHBondContact O-N 2.66Å; D513-Q516 PolarHBondContact O-N 3.31Å; Q516-S519 PolarHBondContact O-N 2.93Å; Q516-W520 VanDerWaalsContact O-CD1 3.25Å; Q516-W520 PolarHBondContact O-N 3.2Å |
| 517 | A | 83.9 | Confident | 80.8 | Confident | 41 Ų | 41 | 70 Ų | 70 | 34% | 0.339 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D513 I514 Q515 W520 L521 L573 | D513-A517 WeakPolarHBondContact O-CB 3.48Å; D513-A517 PolarHBondContact O-N 2.76Å; I514-A517 PolarHBondContact O-N 2.91Å; Q515-A517 VanDerWaalsContact C-N 3.32Å; Q515-A517 PolarHBondContact O-N 3.25Å; A517-W520 PolarHBondContact O-N 3.01Å; A517-L521 WeakPolarHBondContact O-CG 3.4Å; A517-L521 PolarHBondContact O-N 3.33Å; A517-L573 HydrophobicContact CB-CD1 3.93Å |
| 518 | I | 87.6 | Confident | 82.9 | Confident | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 172.6 | -70.6 | 165.1 | 0 | 0 | 0 | 110.2 | I514 Q515 W520 L521 E522 I570 L573 Q574 | I514-I518 HydrophobicContact CG2-CD1 4.06Å; I514-I518 WeakPolarHBondContact O-CG1 3.49Å; I514-I518 PolarHBondContact O-N 3.11Å; Q515-I518 PolarHBondContact O-N 3.12Å; I518-W520 VanDerWaalsContact C-N 3.33Å; I518-W520 PolarHBondContact O-N 2.87Å; I518-L521 PolarHBondContact O-N 3.44Å; I518-E522 HydrophobicContact CG2-CG 4.41Å; I518-E522 WeakPolarHBondContact O-CG 3.42Å; I518-E522 PolarHBondContact O-N 3.33Å; I518-I570 HydrophobicContact CG2-CG2 4.34Å; I518-L573 HydrophobicContact CD1-CB 3.89Å; I518-L573 HydrophobicContact CG1-CB 3.64Å; I518-L573 HydrophobicContact CG1-CD1 3.94Å; I518-L573 HydrophobicContact CG1-CG 4.47Å; I518-Q574 HydrophobicContact CD1-CG 4Å |
| 519 | S | 88.5 | Confident | 84.9 | Confident | 63 Ų | 63 | 66 Ų | 66 | 44% | 0.441 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 178.6 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | Q515 Q516 E522 V523 | Q515-S519 PolarHBondContact O-N 3.17Å; Q515-S519 PolarHBondContact O-OG 3.22Å; Q515-S519 VanDerWaalsContact O-OG 3.06Å; Q516-S519 PolarHBondContact O-N 2.93Å; S519-E522 PolarHBondContact O-N 2.81Å; S519-V523 WeakPolarHBondContact O-CG2 3.48Å; S519-V523 PolarHBondContact O-N 3.09Å |
| 520 | W | 86 | Confident | 86.7 | Confident | 136 Ų | 136 | 67.8 Ų | 67.8 | 52% | 0.515 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.3 | -84.6 | 117.8 | 0 | 0 | 0 | 112.9 | Q516 A517 I518 E522 V523 E524 | Q516-W520 VanDerWaalsContact O-CD1 3.25Å; Q516-W520 PolarHBondContact O-N 3.2Å; A517-W520 PolarHBondContact O-N 3.01Å; I518-W520 VanDerWaalsContact C-N 3.33Å; I518-W520 PolarHBondContact O-N 2.87Å; W520-E522 VanDerWaalsContact C-N 3.34Å; W520-V523 PolarHBondContact O-N 3.14Å; W520-E524 PolarHBondContact O-N 3.29Å |
| 521 | L | 91.3 | Very high | 87.7 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 176.3 | -70.2 | 167.8 | 0 | 0 | 0 | 112 | A517 I518 E524 L525 L566 Q569 I570 L573 | A517-L521 WeakPolarHBondContact O-CG 3.4Å; A517-L521 PolarHBondContact O-N 3.33Å; I518-L521 PolarHBondContact O-N 3.44Å; L521-E524 PolarHBondContact O-N 3.31Å; L521-L525 WeakPolarHBondContact O-CB 3.44Å; L521-L525 PolarHBondContact O-N 3.25Å; L521-L566 HydrophobicContact CD2-CD2 3.7Å; L521-Q569 HydrophobicContact CD1-CB 3.95Å; L521-Q569 HydrophobicContact CD2-CB 4.4Å; L521-I570 HydrophobicContact CB-CD1 3.97Å; L521-I570 HydrophobicContact CB-CG1 3.51Å; L521-I570 HydrophobicContact CD1-CG1 4.16Å; L521-I570 HydrophobicContact CG-CG1 4.47Å; L521-L573 HydrophobicContact CD1-CD1 3.76Å |
| 522 | E | 92.1 | Very high | 88.6 | Confident | 82 Ų | 82 | 63 Ų | 63 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 173.8 | -73.8 | -173.8 | 165.2 | 0 | 0 | 112.1 | I518 S519 W520 N526 I570 | I518-E522 HydrophobicContact CG2-CG 4.41Å; I518-E522 WeakPolarHBondContact O-CG 3.42Å; I518-E522 PolarHBondContact O-N 3.33Å; S519-E522 PolarHBondContact O-N 2.81Å; W520-E522 VanDerWaalsContact C-N 3.34Å; E522-N526 WeakPolarHBondContact O-CB 3.07Å; E522-N526 VanDerWaalsContact O-CG 3.32Å; E522-N526 PolarHBondContact O-N 3.26Å; E522-N526 PolarHBondContact O-ND2 3.45Å; E522-I570 HydrophobicContact CG-CD1 3.92Å; E522-I570 HydrophobicContact CG-CG1 4.49Å |
| 523 | V | 90 | Very high | 89.2 | Confident | 89 Ų | 89 | 60 Ų | 60 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 172.8 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | S519 W520 N526 A527 | S519-V523 WeakPolarHBondContact O-CG2 3.48Å; S519-V523 PolarHBondContact O-N 3.09Å; W520-V523 PolarHBondContact O-N 3.14Å; V523-N526 PolarHBondContact O-N 2.89Å; V523-A527 WeakPolarHBondContact O-CB 3.34Å; V523-A527 PolarHBondContact O-N 3.2Å |
| 524 | E | 91.5 | Very high | 89.9 | Confident | 81 Ų | 81 | 58.7 Ų | 58.7 | 38% | 0.379 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 176.6 | -167 | 176.4 | 169.3 | 0 | 0 | 111.6 | W520 L521 N526 A527 V528 L566 | W520-E524 PolarHBondContact O-N 3.29Å; L521-E524 PolarHBondContact O-N 3.31Å; E524-N526 VanDerWaalsContact C-N 3.34Å; E524-N526 PolarHBondContact O-N 3.36Å; E524-A527 WeakPolarHBondContact O-CB 3.34Å; E524-A527 PolarHBondContact O-N 2.76Å; E524-A527 VanDerWaalsContact O-N 3.16Å; E524-V528 HydrophobicContact CG-CG2 4.35Å; E524-V528 WeakPolarHBondContact O-CG2 3.32Å; E524-V528 PolarHBondContact O-N 3.4Å; E524-L566 HydrophobicContact CB-CD1 4.24Å; E524-L566 HydrophobicContact CB-CD2 4.41Å; E524-L566 HydrophobicContact CG-CD1 3.88Å; E524-L566 HydrophobicContact CG-CD2 4.33Å |
| 525 | L | 92.7 | Very high | 90.4 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 177.3 | 177.5 | 60.8 | 0 | 0 | 0 | 111.7 | L521 V528 K529 I563 L566 E567 I570 | L521-L525 WeakPolarHBondContact O-CB 3.44Å; L521-L525 PolarHBondContact O-N 3.25Å; L525-V528 PolarHBondContact O-N 3.21Å; L525-K529 HydrophobicContact CD1-CD 4.18Å; L525-K529 HydrophobicContact CD1-CG 4.5Å; L525-K529 HydrophobicContact CG-CD 4.17Å; L525-K529 WeakPolarHBondContact O-CB 3.18Å; L525-K529 VanDerWaalsContact O-CG 3.32Å; L525-K529 WeakPolarHBondContact O-CG 3.27Å; L525-K529 PolarHBondContact O-N 3.01Å; L525-I563 HydrophobicContact CD1-CB 4.29Å; L525-I563 HydrophobicContact CD1-CG1 4.25Å; L525-I563 HydrophobicContact CD1-CG2 3.97Å; L525-L566 HydrophobicContact CB-CB 4.3Å; L525-L566 HydrophobicContact CB-CD1 4.4Å; L525-L566 HydrophobicContact CD1-CB 4.08Å; L525-E567 HydrophobicContact CD1-CG 3.76Å; L525-E567 HydrophobicContact CD2-CG 3.72Å; L525-E567 HydrophobicContact CG-CG 4.42Å; L525-I570 HydrophobicContact CB-CD1 4.35Å; L525-I570 HydrophobicContact CD2-CD1 3.71Å |
| 526 | N | 92.7 | Very high | 90.7 | Very high | 90 Ų | 90 | 59.3 Ų | 59.3 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 177.2 | -74.3 | -43.5 | 0 | 0 | 0 | 112 | E522 V523 E524 K529 N530 | E522-N526 WeakPolarHBondContact O-CB 3.07Å; E522-N526 VanDerWaalsContact O-CG 3.32Å; E522-N526 PolarHBondContact O-N 3.26Å; E522-N526 PolarHBondContact O-ND2 3.45Å; V523-N526 PolarHBondContact O-N 2.89Å; E524-N526 VanDerWaalsContact C-N 3.34Å; E524-N526 PolarHBondContact O-N 3.36Å; N526-K529 PolarHBondContact O-N 2.9Å; N526-N530 WeakPolarHBondContact O-CB 3.1Å; N526-N530 PolarHBondContact O-N 3.13Å; N526-N530 PolarHBondContact O-ND2 2.86Å |
| 527 | A | 91 | Very high | 91.1 | Very high | 47 Ų | 47 | 63.1 Ų | 63.1 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | V523 E524 N530 I531 | V523-A527 WeakPolarHBondContact O-CB 3.34Å; V523-A527 PolarHBondContact O-N 3.2Å; E524-A527 WeakPolarHBondContact O-CB 3.34Å; E524-A527 PolarHBondContact O-N 2.76Å; E524-A527 VanDerWaalsContact O-N 3.16Å; A527-N530 PolarHBondContact O-N 3.32Å; A527-I531 VanDerWaalsContact O-CG1 3.3Å; A527-I531 WeakPolarHBondContact O-CG1 3.37Å; A527-I531 PolarHBondContact O-N 2.99Å |
| 528 | V | 89.9 | Confident | 91.4 | Very high | 8 Ų | 8 | 61.7 Ų | 61.7 | 5% | 0.048 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 179.4 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | E524 L525 I531 M532 N559 T562 I563 L566 | E524-V528 HydrophobicContact CG-CG2 4.35Å; E524-V528 WeakPolarHBondContact O-CG2 3.32Å; E524-V528 PolarHBondContact O-N 3.4Å; L525-V528 PolarHBondContact O-N 3.21Å; V528-I531 PolarHBondContact O-N 2.6Å; V528-M532 WeakPolarHBondContact O-CB 3.4Å; V528-M532 PolarHBondContact O-N 2.82Å; V528-N559 HydrophobicContact CG1-CB 3.95Å; V528-N559 PolarHBondContact O-ND2 3.33Å; V528-T562 HydrophobicContact CG1-CG2 4.03Å; V528-T562 HydrophobicContact CG2-CG2 4.01Å; V528-I563 HydrophobicContact CB-CG1 4.28Å; V528-I563 HydrophobicContact CG1-CD1 4.2Å; V528-I563 HydrophobicContact CG1-CG1 3.77Å; V528-L566 HydrophobicContact CG2-CD1 4.12Å |
| 529 | K | 94.2 | Very high | 91.4 | Very high | 65 Ų | 65 | 61.4 Ų | 61.4 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 171.8 | -78.3 | 173.4 | 176.7 | 171.6 | 0 | 111.7 | L525 N526 I531 M532 L533 I563 E567 | L525-K529 HydrophobicContact CD1-CD 4.18Å; L525-K529 HydrophobicContact CD1-CG 4.5Å; L525-K529 HydrophobicContact CG-CD 4.17Å; L525-K529 WeakPolarHBondContact O-CB 3.18Å; L525-K529 VanDerWaalsContact O-CG 3.32Å; L525-K529 WeakPolarHBondContact O-CG 3.27Å; L525-K529 PolarHBondContact O-N 3.01Å; N526-K529 PolarHBondContact O-N 2.9Å; K529-I531 PolarHBondContact O-N 3.19Å; K529-M532 WeakPolarHBondContact O-CB 3.3Å; K529-M532 PolarHBondContact O-N 3.45Å; K529-L533 WeakPolarHBondContact O-CG 3.4Å; K529-L533 PolarHBondContact O-N 3.03Å; K529-I563 HydrophobicContact CB-CD1 4.44Å; K529-I563 HydrophobicContact CG-CD1 3.65Å; K529-I563 HydrophobicContact CG-CG1 3.91Å; K529-E567 VanDerWaalsContact CE-OE1 3.24Å; K529-E567 WeakPolarHBondContact CE-OE1 3.33Å; K529-E567 IonicContact NZ-OE1 3.88Å; K529-E567 PolarHBondContact NZ-OE1 2.82Å |
| 530 | N | 93.6 | Very high | 91.5 | Very high | 106 Ų | 106 | 62.6 Ų | 62.6 | 57% | 0.567 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 176.1 | -77.1 | -34.9 | 0 | 0 | 0 | 112.8 | N526 A527 M532 L533 A534 | N526-N530 WeakPolarHBondContact O-CB 3.1Å; N526-N530 PolarHBondContact O-N 3.13Å; N526-N530 PolarHBondContact O-ND2 2.86Å; A527-N530 PolarHBondContact O-N 3.32Å; N530-M532 VanDerWaalsContact C-N 3.33Å; N530-M532 PolarHBondContact O-N 3.05Å; N530-L533 PolarHBondContact O-N 3.08Å; N530-A534 WeakPolarHBondContact O-CB 3.43Å; N530-A534 PolarHBondContact O-N 2.73Å |
| 531 | I | 91 | Very high | 91.6 | Very high | 52 Ų | 52 | 59.3 Ų | 59.3 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.8 | -34.6 | 175 | -61.8 | 164 | 0 | 0 | 0 | 111 | I324 A527 V528 K529 A534 N535 N559 | I324-I531 HydrophobicContact CD1-CG2 4.29Å; A527-I531 VanDerWaalsContact O-CG1 3.3Å; A527-I531 WeakPolarHBondContact O-CG1 3.37Å; A527-I531 PolarHBondContact O-N 2.99Å; V528-I531 PolarHBondContact O-N 2.6Å; K529-I531 PolarHBondContact O-N 3.19Å; I531-A534 PolarHBondContact O-N 3.29Å; I531-N535 WeakPolarHBondContact O-CB 3.35Å; I531-N535 VanDerWaalsContact O-CG 3.32Å; I531-N535 PolarHBondContact O-N 3.45Å; I531-N535 PolarHBondContact O-ND2 3.18Å; I531-N559 WeakPolarHBondContact CG2-ND2 3.34Å |
| 532 | M | 92.4 | Very high | 91.2 | Very high | 28 Ų | 28 | 64.4 Ų | 64.4 | 14% | 0.138 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 175.8 | -170.3 | 174.5 | 70.5 | 0 | 0 | 111.3 | V528 K529 N530 A534 N535 M536 A556 N559 Q560 I563 | V528-M532 WeakPolarHBondContact O-CB 3.4Å; V528-M532 PolarHBondContact O-N 2.82Å; K529-M532 WeakPolarHBondContact O-CB 3.3Å; K529-M532 PolarHBondContact O-N 3.45Å; N530-M532 VanDerWaalsContact C-N 3.33Å; N530-M532 PolarHBondContact O-N 3.05Å; M532-A534 VanDerWaalsContact C-N 3.31Å; M532-A534 PolarHBondContact O-N 3.27Å; M532-N535 WeakPolarHBondContact O-CB 3.34Å; M532-N535 PolarHBondContact O-N 3.12Å; M532-N535 VanDerWaalsContact O-N 3.1Å; M532-M536 HydrophobicContact CG-SD 4.42Å; M532-M536 WeakPolarHBondContact O-CG 3.38Å; M532-M536 PolarHBondContact O-N 3.43Å; M532-A556 HydrophobicContact CG-CB 4.34Å; M532-N559 HydrophobicContact CB-CB 3.82Å; M532-N559 HydrophobicContact CG-CB 4Å; M532-N559 PolarHBondContact N-ND2 3.25Å; M532-N559 HydrophobicContact SD-CB 4.37Å; M532-Q560 HydrophobicContact SD-CB 3.93Å; M532-I563 HydrophobicContact CB-CD1 4.23Å; M532-I563 HydrophobicContact CE-CD1 3.66Å; M532-I563 HydrophobicContact SD-CD1 3.61Å |
| 533 | L | 93.6 | Very high | 90.9 | Very high | 89 Ų | 89 | 69.8 Ų | 69.8 | 47% | 0.466 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 175.9 | -68 | 172.1 | 0 | 0 | 0 | 111.7 | K529 N530 M536 K537 | K529-L533 WeakPolarHBondContact O-CG 3.4Å; K529-L533 PolarHBondContact O-N 3.03Å; N530-L533 PolarHBondContact O-N 3.08Å; L533-M536 PolarHBondContact O-N 2.85Å; L533-K537 WeakPolarHBondContact O-CB 3.43Å; L533-K537 WeakPolarHBondContact O-CG 3.43Å; L533-K537 PolarHBondContact O-N 3.49Å |
| 534 | A | 93.2 | Very high | 90.6 | Very high | 49 Ų | 49 | 66.7 Ų | 66.7 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N530 I531 M532 C538 | N530-A534 WeakPolarHBondContact O-CB 3.43Å; N530-A534 PolarHBondContact O-N 2.73Å; I531-A534 PolarHBondContact O-N 3.29Å; M532-A534 VanDerWaalsContact C-N 3.31Å; M532-A534 PolarHBondContact O-N 3.27Å; A534-C538 WeakPolarHBondContact O-CB 3.46Å; A534-C538 PolarHBondContact O-N 3.05Å; A534-C538 PolarHBondContact O-SG 3.21Å |
| 535 | N | 92.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 175.1 | -79.4 | -28.6 | 0 | 0 | 0 | 112.3 | I324 I531 M532 C538 A539 Y552 A556 | I324-N535 WeakPolarHBondContact CD1-OD1 3.23Å; I531-N535 WeakPolarHBondContact O-CB 3.35Å; I531-N535 VanDerWaalsContact O-CG 3.32Å; I531-N535 PolarHBondContact O-N 3.45Å; I531-N535 PolarHBondContact O-ND2 3.18Å; M532-N535 WeakPolarHBondContact O-CB 3.34Å; M532-N535 PolarHBondContact O-N 3.12Å; M532-N535 VanDerWaalsContact O-N 3.1Å; N535-C538 CarbonylContact O-C 3.59Å; N535-C538 WeakPolarHBondContact O-CB 3.47Å; N535-C538 PolarHBondContact O-N 3.09Å; N535-A539 WeakPolarHBondContact O-CB 3.42Å; N535-A539 PolarHBondContact O-N 2.98Å; N535-Y552 WeakPolarHBondContact OD1-CD1 3.45Å; N535-A556 HydrophobicContact CB-CB 4.14Å |
| 536 | M | 92.1 | Very high | 90.1 | Very high | 90 Ų | 90 | 77.5 Ų | 77.5 | 44% | 0.443 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.2 | -53.6 | 175.5 | -69.6 | 177.7 | 70.9 | 0 | 0 | 111.1 | M532 L533 C538 A539 D540 A556 | M532-M536 HydrophobicContact CG-SD 4.42Å; M532-M536 WeakPolarHBondContact O-CG 3.38Å; M532-M536 PolarHBondContact O-N 3.43Å; L533-M536 PolarHBondContact O-N 2.85Å; M536-C538 PolarHBondContact O-N 2.95Å; M536-C538 VanDerWaalsContact O-N 3.16Å; M536-A539 WeakPolarHBondContact O-CA 3.41Å; M536-A539 WeakPolarHBondContact O-CB 3.22Å; M536-A539 PolarHBondContact O-N 2.97Å; M536-D540 PolarHBondContact O-N 3.48Å; M536-D540 VanDerWaalsContact O-N 3.15Å; M536-A556 HydrophobicContact CG-CB 3.99Å |
| 537 | K | 93 | Very high | 89.8 | Confident | 159 Ų | 159 | 76.7 Ų | 76.7 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -51.4 | -42.2 | 172 | -71.2 | 176.5 | -179.8 | -179.7 | 0 | 111.5 | L533 A539 D540 E541 | L533-K537 WeakPolarHBondContact O-CB 3.43Å; L533-K537 WeakPolarHBondContact O-CG 3.43Å; L533-K537 PolarHBondContact O-N 3.49Å; K537-A539 VanDerWaalsContact C-N 3.3Å; K537-A539 PolarHBondContact O-N 3.27Å; K537-D540 PolarHBondContact O-N 2.88Å; K537-E541 PolarHBondContact O-N 3.41Å |
| 538 | C | 89.1 | Confident | 89.7 | Confident | 11 Ų | 11 | 75 Ų | 75 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.7 | -25 | 177.3 | -80 | 0 | 0 | 0 | 0 | 115.1 | R327 A534 N535 M536 K544 Y552 | R327-C538 PolarHBondContact NH1-SG 3.47Å; A534-C538 WeakPolarHBondContact O-CB 3.46Å; A534-C538 PolarHBondContact O-N 3.05Å; A534-C538 PolarHBondContact O-SG 3.21Å; N535-C538 CarbonylContact O-C 3.59Å; N535-C538 WeakPolarHBondContact O-CB 3.47Å; N535-C538 PolarHBondContact O-N 3.09Å; M536-C538 PolarHBondContact O-N 2.95Å; M536-C538 VanDerWaalsContact O-N 3.16Å; C538-K544 VanDerWaalsContact CB-NZ 3.28Å; C538-K544 PolarHBondContact O-NZ 3.47Å; C538-K544 PolarHBondContact SG-NZ 2.84Å; C538-K544 VanDerWaalsContact SG-NZ 3.39Å; C538-Y552 HydrophobicContact CB-CD1 3.48Å; C538-Y552 VanDerWaalsContact CB-CD1 3.48Å; C538-Y552 HydrophobicContact CB-CD2 3.75Å; C538-Y552 HydrophobicContact CB-CE1 3.55Å; C538-Y552 HydrophobicContact CB-CE2 3.83Å; C538-Y552 HydrophobicContact CB-CG 3.6Å; C538-Y552 WeakPolarHBondContact O-CD2 3.38Å |
| 539 | A | 89.6 | Confident | 89.6 | Confident | 2 Ų | 2 | 78.4 Ų | 78.4 | 2% | 0.017 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -82.7 | -26.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N535 M536 K537 R549 K553 | N535-A539 WeakPolarHBondContact O-CB 3.42Å; N535-A539 PolarHBondContact O-N 2.98Å; M536-A539 WeakPolarHBondContact O-CA 3.41Å; M536-A539 WeakPolarHBondContact O-CB 3.22Å; M536-A539 PolarHBondContact O-N 2.97Å; K537-A539 VanDerWaalsContact C-N 3.3Å; K537-A539 PolarHBondContact O-N 3.27Å; A539-R549 WeakPolarHBondContact O-CB 3.4Å; A539-R549 WeakPolarHBondContact O-CD 3.22Å; A539-R549 WeakPolarHBondContact O-CG 3.48Å; A539-K553 HydrophobicContact CB-CD 4.26Å; A539-K553 HydrophobicContact CB-CG 3.49Å; A539-K553 VanDerWaalsContact CB-CG 3.49Å |
| 540 | D | 89.6 | Confident | 89.5 | Confident | 89 Ų | 89 | 83.2 Ų | 83.2 | 48% | 0.476 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -96.7 | -11.5 | -177.4 | -56.1 | -40.2 | 0 | 0 | 0 | 112.6 | M536 K537 N542 K553 | M536-D540 PolarHBondContact O-N 3.48Å; M536-D540 VanDerWaalsContact O-N 3.15Å; K537-D540 PolarHBondContact O-N 2.88Å; D540-N542 PolarHBondContact O-N 2.86Å; D540-K553 WeakPolarHBondContact OD1-CE 3.41Å; D540-K553 IonicContact OD1-NZ 2.68Å; D540-K553 PolarHBondContact OD1-NZ 3.44Å |
| 541 | E | 88.3 | Confident | 89.3 | Confident | 66 Ų | 66 | 80.9 Ų | 80.9 | 31% | 0.308 | 41% | 0.405 | S | S | . | . | | | trans | -53.1 | 100 | 167.2 | -83.8 | 177.7 | -118.7 | 0 | 0 | 112.2 | R327 K537 K543 K544 | R327-E541 IonicContact NH1-OE1 2.65Å; K537-E541 PolarHBondContact O-N 3.41Å; E541-K543 PolarHBondContact O-N 3.4Å; E541-K543 VanDerWaalsContact O-N 3.07Å; E541-K544 HydrophobicContact CB-CG 4.07Å; E541-K544 PolarHBondContact O-N 2.91Å; E541-K544 IonicContact OE1-NZ 3.27Å; E541-K544 PolarHBondContact OE1-NZ 2.65Å; E541-K544 WeakPolarHBondContact OE2-CE 3.43Å; E541-K544 IonicContact OE2-NZ 2.81Å; E541-K544 PolarHBondContact OE2-NZ 3.02Å |
| 542 | N | 82.3 | Confident | 89.3 | Confident | 132 Ų | 132 | 78.8 Ų | 78.8 | 71% | 0.706 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22.5 | 178.6 | -85.5 | -34.7 | 0 | 0 | 0 | 114.5 | D540 K544 R549 | D540-N542 PolarHBondContact O-N 2.86Å; N542-K544 PolarHBondContact O-N 3.23Å; N542-R549 PolarHBondContact OD1-NH1 3.02Å |
| 543 | K | 86.8 | Confident | 89.3 | Confident | 194 Ų | 194 | 83 Ų | 83 | 84% | 0.843 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -8.4 | 173.9 | -63.9 | -174.7 | 178.7 | -177 | 0 | 113.7 | E541 | E541-K543 PolarHBondContact O-N 3.4Å; E541-K543 VanDerWaalsContact O-N 3.07Å |
| 544 | K | 82.5 | Confident | 89.2 | Confident | 25 Ų | 25 | 83.2 Ų | 83.2 | 11% | 0.109 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -98.6 | 139.6 | 179.1 | -61.5 | -156.9 | -170.1 | 112 | 0 | 113.2 | C538 E541 N542 R549 Y552 | C538-K544 VanDerWaalsContact CB-NZ 3.28Å; C538-K544 PolarHBondContact O-NZ 3.47Å; C538-K544 PolarHBondContact SG-NZ 2.84Å; C538-K544 VanDerWaalsContact SG-NZ 3.39Å; E541-K544 HydrophobicContact CB-CG 4.07Å; E541-K544 PolarHBondContact O-N 2.91Å; E541-K544 IonicContact OE1-NZ 3.27Å; E541-K544 PolarHBondContact OE1-NZ 2.65Å; E541-K544 WeakPolarHBondContact OE2-CE 3.43Å; E541-K544 IonicContact OE2-NZ 2.81Å; E541-K544 PolarHBondContact OE2-NZ 3.02Å; N542-K544 PolarHBondContact O-N 3.23Å; K544-R549 HydrophobicContact CB-CG 4.03Å; K544-R549 PolarHBondContact O-NE 2.94Å; K544-Y552 HydrophobicContact CD-CD2 4.24Å; K544-Y552 HydrophobicContact CD-CE2 3.67Å |
| 545 | N | 86.6 | Confident | 89 | Confident | 99 Ų | 99 | 81.8 Ų | 81.8 | 53% | 0.529 | 40% | 0.401 | S | S | . | . | | | trans | -61 | 156.8 | 177.7 | 76.3 | 22.1 | 0 | 0 | 0 | 112.7 | A547 S548 R549 | N545-A547 VanDerWaalsContact C-N 3.3Å; N545-A547 PolarHBondContact O-N 3.46Å; N545-S548 WeakPolarHBondContact O-CB 3.49Å; N545-S548 PolarHBondContact O-N 3.28Å; N545-S548 VanDerWaalsContact OD1-CB 3.29Å; N545-S548 WeakPolarHBondContact OD1-CB 3.32Å; N545-S548 PolarHBondContact OD1-N 3.12Å; N545-S548 PolarHBondContact OD1-OG 2.82Å; N545-R549 PolarHBondContact O-N 2.79Å; N545-R549 VanDerWaalsContact O-N 3.09Å |
| 546 | R | 87.5 | Confident | 89 | Confident | 224 Ų | 224 | 82.2 Ų | 82.2 | 85% | 0.845 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56 | -40.6 | -172.8 | -170.6 | 179.2 | -178.2 | -168 | 1.1 | 113 | R549 K550 | R546-R549 PolarHBondContact O-N 3.06Å; R546-K550 PolarHBondContact O-N 3.04Å |
| 547 | A | 87.2 | Confident | 88.9 | Confident | 73 Ų | 73 | 84.2 Ų | 84.2 | 60% | 0.603 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.9 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N545 R549 K550 A551 | N545-A547 VanDerWaalsContact C-N 3.3Å; N545-A547 PolarHBondContact O-N 3.46Å; A547-R549 PolarHBondContact O-N 3.25Å; A547-K550 PolarHBondContact O-N 3.35Å; A547-A551 PolarHBondContact O-N 3.09Å |
| 548 | S | 88.2 | Confident | 88.7 | Confident | 12 Ų | 12 | 82.1 Ų | 82.1 | 8% | 0.084 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 175.4 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | R323 N545 A551 Y552 | R323-S548 VanDerWaalsContact NH1-CB 3.33Å; R323-S548 PolarHBondContact NH1-OG 3.29Å; N545-S548 WeakPolarHBondContact O-CB 3.49Å; N545-S548 PolarHBondContact O-N 3.28Å; N545-S548 VanDerWaalsContact OD1-CB 3.29Å; N545-S548 WeakPolarHBondContact OD1-CB 3.32Å; N545-S548 PolarHBondContact OD1-N 3.12Å; N545-S548 PolarHBondContact OD1-OG 2.82Å; S548-A551 PolarHBondContact O-N 3.33Å; S548-Y552 WeakPolarHBondContact O-CD2 3.21Å; S548-Y552 PolarHBondContact O-N 2.72Å |
| 549 | R | 88.6 | Confident | 89 | Confident | 78 Ų | 78 | 82.8 Ų | 82.8 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 178.6 | -66.4 | -165.9 | -89.7 | 174.2 | -3.1 | 111.6 | A539 N542 K544 N545 R546 A547 A551 Y552 K553 | A539-R549 WeakPolarHBondContact O-CB 3.4Å; A539-R549 WeakPolarHBondContact O-CD 3.22Å; A539-R549 WeakPolarHBondContact O-CG 3.48Å; N542-R549 PolarHBondContact OD1-NH1 3.02Å; K544-R549 HydrophobicContact CB-CG 4.03Å; K544-R549 PolarHBondContact O-NE 2.94Å; N545-R549 PolarHBondContact O-N 2.79Å; N545-R549 VanDerWaalsContact O-N 3.09Å; R546-R549 PolarHBondContact O-N 3.06Å; A547-R549 PolarHBondContact O-N 3.25Å; R549-A551 PolarHBondContact O-N 2.86Å; R549-Y552 PolarHBondContact O-N 2.86Å; R549-K553 WeakPolarHBondContact O-CG 3.25Å; R549-K553 PolarHBondContact O-N 3.03Å |
| 550 | K | 90.6 | Very high | 89.1 | Confident | 167 Ų | 167 | 86.7 Ų | 86.7 | 73% | 0.726 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.6 | -43.7 | 172.9 | -171.5 | 178.6 | 179.8 | -177.4 | 0 | 112.2 | R546 A547 K553 L554 | R546-K550 PolarHBondContact O-N 3.04Å; A547-K550 PolarHBondContact O-N 3.35Å; K550-K553 PolarHBondContact O-N 3.17Å; K550-L554 PolarHBondContact O-N 2.83Å |
| 551 | A | 89.4 | Confident | 89.1 | Confident | 57 Ų | 57 | 87.1 Ų | 87.1 | 47% | 0.471 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A547 S548 R549 L554 A555 | A547-A551 PolarHBondContact O-N 3.09Å; S548-A551 PolarHBondContact O-N 3.33Å; R549-A551 PolarHBondContact O-N 2.86Å; A551-L554 PolarHBondContact O-N 2.93Å; A551-A555 WeakPolarHBondContact O-CB 3.28Å; A551-A555 PolarHBondContact O-N 3.05Å |
| 552 | Y | 92.7 | Very high | 89.2 | Confident | 7 Ų | 7 | 86.4 Ų | 86.4 | 3% | 0.027 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 175.4 | -75.9 | -63.6 | 0 | 0 | 0 | 112.9 | R323 N535 C538 K544 S548 R549 A555 A556 | R323-Y552 WeakPolarHBondContact CB-OH 3.15Å; R323-Y552 WeakPolarHBondContact CD-OH 3.38Å; N535-Y552 WeakPolarHBondContact OD1-CD1 3.45Å; C538-Y552 HydrophobicContact CB-CD1 3.48Å; C538-Y552 VanDerWaalsContact CB-CD1 3.48Å; C538-Y552 HydrophobicContact CB-CD2 3.75Å; C538-Y552 HydrophobicContact CB-CE1 3.55Å; C538-Y552 HydrophobicContact CB-CE2 3.83Å; C538-Y552 HydrophobicContact CB-CG 3.6Å; C538-Y552 WeakPolarHBondContact O-CD2 3.38Å; K544-Y552 HydrophobicContact CD-CD2 4.24Å; K544-Y552 HydrophobicContact CD-CE2 3.67Å; S548-Y552 WeakPolarHBondContact O-CD2 3.21Å; S548-Y552 PolarHBondContact O-N 2.72Å; R549-Y552 PolarHBondContact O-N 2.86Å; Y552-A555 PolarHBondContact O-N 3.02Å; Y552-A556 WeakPolarHBondContact O-CB 3.38Å; Y552-A556 PolarHBondContact O-N 3.04Å |
| 553 | K | 90.8 | Very high | 89.7 | Confident | 117 Ų | 117 | 80.3 Ų | 80.3 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 173.2 | -61.2 | -157.1 | 178.9 | -152.8 | 0 | 112.3 | A539 D540 R549 K550 A556 K557 | A539-K553 HydrophobicContact CB-CD 4.26Å; A539-K553 HydrophobicContact CB-CG 3.49Å; A539-K553 VanDerWaalsContact CB-CG 3.49Å; D540-K553 WeakPolarHBondContact OD1-CE 3.41Å; D540-K553 IonicContact OD1-NZ 2.68Å; D540-K553 PolarHBondContact OD1-NZ 3.44Å; R549-K553 WeakPolarHBondContact O-CG 3.25Å; R549-K553 PolarHBondContact O-N 3.03Å; K550-K553 PolarHBondContact O-N 3.17Å; K553-A556 PolarHBondContact O-N 3Å; K553-K557 PolarHBondContact O-N 3.42Å |
| 554 | L | 91.3 | Very high | 90 | Very high | 93 Ų | 93 | 74 Ų | 74 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 173.8 | -176.9 | 61.8 | 0 | 0 | 0 | 112.4 | K550 A551 K557 R558 | K550-L554 PolarHBondContact O-N 2.83Å; A551-L554 PolarHBondContact O-N 2.93Å; L554-K557 PolarHBondContact O-N 3.29Å; L554-R558 PolarHBondContact O-N 3.41Å; L554-R558 VanDerWaalsContact O-N 3.16Å |
| 555 | A | 90.3 | Very high | 90.4 | Very high | 20 Ų | 20 | 77 Ų | 77 | 17% | 0.165 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A551 Y552 K557 R558 N559 | A551-A555 WeakPolarHBondContact O-CB 3.28Å; A551-A555 PolarHBondContact O-N 3.05Å; Y552-A555 PolarHBondContact O-N 3.02Å; A555-K557 VanDerWaalsContact C-N 3.35Å; A555-K557 PolarHBondContact O-N 2.92Å; A555-R558 PolarHBondContact O-N 2.99Å; A555-N559 PolarHBondContact O-N 3.11Å; A555-N559 PolarHBondContact O-OD1 2.98Å |
| 556 | A | 91.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 72.6 Ų | 72.6 | 10% | 0.099 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M532 N535 M536 Y552 K553 R558 N559 Q560 | M532-A556 HydrophobicContact CG-CB 4.34Å; N535-A556 HydrophobicContact CB-CB 4.14Å; M536-A556 HydrophobicContact CG-CB 3.99Å; Y552-A556 WeakPolarHBondContact O-CB 3.38Å; Y552-A556 PolarHBondContact O-N 3.04Å; K553-A556 PolarHBondContact O-N 3Å; A556-R558 PolarHBondContact O-N 3.22Å; A556-N559 PolarHBondContact O-N 3.32Å; A556-Q560 PolarHBondContact O-N 3.34Å |
| 557 | K | 91.5 | Very high | 91.1 | Very high | 131 Ų | 131 | 65.3 Ų | 65.3 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.6 | -46.7 | 175 | -167 | -170.5 | -176.3 | -105.9 | 0 | 112.1 | K553 L554 A555 N559 Q560 E561 | K553-K557 PolarHBondContact O-N 3.42Å; L554-K557 PolarHBondContact O-N 3.29Å; A555-K557 VanDerWaalsContact C-N 3.35Å; A555-K557 PolarHBondContact O-N 2.92Å; K557-N559 PolarHBondContact O-N 3.03Å; K557-Q560 WeakPolarHBondContact O-CB 3.45Å; K557-Q560 PolarHBondContact O-N 3.09Å; K557-Q560 VanDerWaalsContact O-N 3.15Å; K557-E561 WeakPolarHBondContact CE-OE1 3.46Å; K557-E561 IonicContact NZ-OE1 3.4Å; K557-E561 PolarHBondContact NZ-OE1 3.24Å; K557-E561 WeakPolarHBondContact O-CG 3.44Å; K557-E561 PolarHBondContact O-N 2.84Å; K557-E561 VanDerWaalsContact O-N 3.1Å |
| 558 | R | 89 | Confident | 91.3 | Very high | 115 Ų | 115 | 66.8 Ų | 66.8 | 43% | 0.434 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 177.7 | -74.3 | 179.1 | 173.8 | 168.8 | -5.3 | 112.4 | M319 L554 A555 A556 Q560 E561 T562 | M319-R558 PolarHBondContact SD-NH1 3.38Å; L554-R558 PolarHBondContact O-N 3.41Å; L554-R558 VanDerWaalsContact O-N 3.16Å; A555-R558 PolarHBondContact O-N 2.99Å; A556-R558 PolarHBondContact O-N 3.22Å; R558-Q560 VanDerWaalsContact C-N 3.28Å; R558-Q560 PolarHBondContact O-N 3.17Å; R558-E561 WeakPolarHBondContact O-CB 3.43Å; R558-E561 PolarHBondContact O-N 3.06Å; R558-T562 PolarHBondContact O-N 2.86Å; R558-T562 PolarHBondContact O-OG1 2.97Å |
| 559 | N | 93.5 | Very high | 91.3 | Very high | 25 Ų | 25 | 69 Ų | 69 | 13% | 0.134 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 173 | -76.6 | 42 | 0 | 0 | 0 | 112.2 | V528 I531 M532 A555 A556 K557 T562 I563 | V528-N559 HydrophobicContact CG1-CB 3.95Å; V528-N559 PolarHBondContact O-ND2 3.33Å; I531-N559 WeakPolarHBondContact CG2-ND2 3.34Å; M532-N559 HydrophobicContact CB-CB 3.82Å; M532-N559 HydrophobicContact CG-CB 4Å; M532-N559 PolarHBondContact N-ND2 3.25Å; M532-N559 HydrophobicContact SD-CB 4.37Å; A555-N559 PolarHBondContact O-N 3.11Å; A555-N559 PolarHBondContact O-OD1 2.98Å; A556-N559 PolarHBondContact O-N 3.32Å; K557-N559 PolarHBondContact O-N 3.03Å; N559-T562 WeakPolarHBondContact O-CB 3.5Å; N559-T562 PolarHBondContact O-N 2.72Å; N559-I563 WeakPolarHBondContact O-CB 3.05Å; N559-I563 WeakPolarHBondContact O-CD1 3.34Å; N559-I563 VanDerWaalsContact O-CG1 3.24Å; N559-I563 WeakPolarHBondContact O-CG1 3.48Å; N559-I563 PolarHBondContact O-N 2.97Å |
| 560 | Q | 93 | Very high | 91.4 | Very high | 85 Ų | 85 | 65.9 Ų | 65.9 | 40% | 0.397 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 175.2 | -175.4 | 58.7 | 70.2 | 0 | 0 | 112 | M532 A556 K557 R558 T562 I563 T564 | M532-Q560 HydrophobicContact SD-CB 3.93Å; A556-Q560 PolarHBondContact O-N 3.34Å; K557-Q560 WeakPolarHBondContact O-CB 3.45Å; K557-Q560 PolarHBondContact O-N 3.09Å; K557-Q560 VanDerWaalsContact O-N 3.15Å; R558-Q560 VanDerWaalsContact C-N 3.28Å; R558-Q560 PolarHBondContact O-N 3.17Å; Q560-T562 VanDerWaalsContact C-N 3.34Å; Q560-I563 PolarHBondContact O-N 3.39Å; Q560-T564 PolarHBondContact O-N 3.3Å; Q560-T564 VanDerWaalsContact O-N 3.15Å; Q560-T564 PolarHBondContact O-OG1 3.23Å |
| 561 | E | 89.5 | Confident | 91.5 | Very high | 97 Ų | 97 | 62.9 Ų | 62.9 | 45% | 0.453 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 173.5 | -65.8 | 158.1 | -178.6 | 0 | 0 | 111.1 | K557 R558 N565 | K557-E561 WeakPolarHBondContact CE-OE1 3.46Å; K557-E561 IonicContact NZ-OE1 3.4Å; K557-E561 PolarHBondContact NZ-OE1 3.24Å; K557-E561 WeakPolarHBondContact O-CG 3.44Å; K557-E561 PolarHBondContact O-N 2.84Å; K557-E561 VanDerWaalsContact O-N 3.1Å; R558-E561 WeakPolarHBondContact O-CB 3.43Å; R558-E561 PolarHBondContact O-N 3.06Å; E561-N565 PolarHBondContact O-N 2.71Å |
| 562 | T | 90 | Very high | 91.5 | Very high | 51 Ų | 51 | 62 Ų | 62 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 172.6 | -55.1 | 0 | 0 | 0 | 0 | 113.1 | V528 R558 N559 Q560 N565 L566 | V528-T562 HydrophobicContact CG1-CG2 4.03Å; V528-T562 HydrophobicContact CG2-CG2 4.01Å; R558-T562 PolarHBondContact O-N 2.86Å; R558-T562 PolarHBondContact O-OG1 2.97Å; N559-T562 WeakPolarHBondContact O-CB 3.5Å; N559-T562 PolarHBondContact O-N 2.72Å; Q560-T562 VanDerWaalsContact C-N 3.34Å; T562-N565 WeakPolarHBondContact O-CB 3.31Å; T562-N565 PolarHBondContact O-N 3.48Å; T562-L566 HydrophobicContact CG2-CD1 3.98Å; T562-L566 HydrophobicContact CG2-CG 4.45Å; T562-L566 WeakPolarHBondContact O-CG 3.41Å; T562-L566 PolarHBondContact O-N 2.88Å |
| 563 | I | 93 | Very high | 91.4 | Very high | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.9 | -50.8 | 179.1 | -78.6 | 160.9 | 0 | 0 | 0 | 110.8 | L525 V528 K529 M532 N559 Q560 N565 L566 E567 | L525-I563 HydrophobicContact CD1-CB 4.29Å; L525-I563 HydrophobicContact CD1-CG1 4.25Å; L525-I563 HydrophobicContact CD1-CG2 3.97Å; V528-I563 HydrophobicContact CB-CG1 4.28Å; V528-I563 HydrophobicContact CG1-CD1 4.2Å; V528-I563 HydrophobicContact CG1-CG1 3.77Å; K529-I563 HydrophobicContact CB-CD1 4.44Å; K529-I563 HydrophobicContact CG-CD1 3.65Å; K529-I563 HydrophobicContact CG-CG1 3.91Å; M532-I563 HydrophobicContact CB-CD1 4.23Å; M532-I563 HydrophobicContact CE-CD1 3.66Å; M532-I563 HydrophobicContact SD-CD1 3.61Å; N559-I563 WeakPolarHBondContact O-CB 3.05Å; N559-I563 WeakPolarHBondContact O-CD1 3.34Å; N559-I563 VanDerWaalsContact O-CG1 3.24Å; N559-I563 WeakPolarHBondContact O-CG1 3.48Å; N559-I563 PolarHBondContact O-N 2.97Å; Q560-I563 PolarHBondContact O-N 3.39Å; I563-N565 VanDerWaalsContact C-N 3.27Å; I563-N565 PolarHBondContact O-N 3.3Å; I563-L566 PolarHBondContact O-N 3.35Å; I563-E567 WeakPolarHBondContact CG2-OE2 3.4Å; I563-E567 WeakPolarHBondContact O-CB 3.29Å; I563-E567 WeakPolarHBondContact O-CG 3.47Å; I563-E567 PolarHBondContact O-N 3.4Å |
| 564 | T | 92.8 | Very high | 91.3 | Very high | 63 Ų | 63 | 62 Ų | 62 | 39% | 0.387 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.1 | -32.2 | 179.2 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | Q560 N568 | Q560-T564 PolarHBondContact O-N 3.3Å; Q560-T564 VanDerWaalsContact O-N 3.15Å; Q560-T564 PolarHBondContact O-OG1 3.23Å; T564-N568 WeakPolarHBondContact O-CB 3.42Å; T564-N568 PolarHBondContact O-N 3.36Å; T564-N568 PolarHBondContact O-ND2 3.26Å |
| 565 | N | 91.2 | Very high | 91 | Very high | 88 Ų | 88 | 60.6 Ų | 60.6 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 173.7 | -171.1 | 6.2 | 0 | 0 | 0 | 112.2 | E561 T562 I563 N568 Q569 | E561-N565 PolarHBondContact O-N 2.71Å; T562-N565 WeakPolarHBondContact O-CB 3.31Å; T562-N565 PolarHBondContact O-N 3.48Å; I563-N565 VanDerWaalsContact C-N 3.27Å; I563-N565 PolarHBondContact O-N 3.3Å; N565-N568 PolarHBondContact O-N 3.24Å; N565-Q569 WeakPolarHBondContact O-CG 3.16Å; N565-Q569 PolarHBondContact O-N 3.11Å; N565-Q569 PolarHBondContact O-NE2 2.67Å; N565-Q569 PolarHBondContact OD1-NE2 3.05Å |
| 566 | L | 93.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 63.9 Ų | 63.9 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 177.8 | -69.5 | 168.4 | 0 | 0 | 0 | 112 | L521 E524 L525 V528 T562 I563 N568 Q569 I570 | L521-L566 HydrophobicContact CD2-CD2 3.7Å; E524-L566 HydrophobicContact CB-CD1 4.24Å; E524-L566 HydrophobicContact CB-CD2 4.41Å; E524-L566 HydrophobicContact CG-CD1 3.88Å; E524-L566 HydrophobicContact CG-CD2 4.33Å; L525-L566 HydrophobicContact CB-CB 4.3Å; L525-L566 HydrophobicContact CB-CD1 4.4Å; L525-L566 HydrophobicContact CD1-CB 4.08Å; V528-L566 HydrophobicContact CG2-CD1 4.12Å; T562-L566 HydrophobicContact CG2-CD1 3.98Å; T562-L566 HydrophobicContact CG2-CG 4.45Å; T562-L566 WeakPolarHBondContact O-CG 3.41Å; T562-L566 PolarHBondContact O-N 2.88Å; I563-L566 PolarHBondContact O-N 3.35Å; L566-N568 PolarHBondContact O-N 3.14Å; L566-Q569 PolarHBondContact O-N 3.4Å; L566-I570 WeakPolarHBondContact O-CG1 3.31Å; L566-I570 PolarHBondContact O-N 3.02Å |
| 567 | E | 94.8 | Very high | 90.1 | Very high | 70 Ų | 70 | 63.9 Ų | 63.9 | 33% | 0.327 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 174.5 | -73.2 | 167.5 | 162.6 | 0 | 0 | 111.8 | L525 K529 I563 Q569 I570 H571 | L525-E567 HydrophobicContact CD1-CG 3.76Å; L525-E567 HydrophobicContact CD2-CG 3.72Å; L525-E567 HydrophobicContact CG-CG 4.42Å; K529-E567 VanDerWaalsContact CE-OE1 3.24Å; K529-E567 WeakPolarHBondContact CE-OE1 3.33Å; K529-E567 IonicContact NZ-OE1 3.88Å; K529-E567 PolarHBondContact NZ-OE1 2.82Å; I563-E567 WeakPolarHBondContact CG2-OE2 3.4Å; I563-E567 WeakPolarHBondContact O-CB 3.29Å; I563-E567 WeakPolarHBondContact O-CG 3.47Å; I563-E567 PolarHBondContact O-N 3.4Å; E567-Q569 PolarHBondContact O-N 2.65Å; E567-I570 PolarHBondContact O-N 2.99Å; E567-H571 WeakPolarHBondContact O-CB 3.48Å; E567-H571 PolarHBondContact O-N 3.41Å |
| 568 | N | 91.4 | Very high | 89.7 | Confident | 104 Ų | 104 | 62.8 Ų | 62.8 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.7 | -37.5 | 173.9 | -73 | -23.1 | 0 | 0 | 0 | 112.8 | T564 N565 L566 G572 | T564-N568 WeakPolarHBondContact O-CB 3.42Å; T564-N568 PolarHBondContact O-N 3.36Å; T564-N568 PolarHBondContact O-ND2 3.26Å; N565-N568 PolarHBondContact O-N 3.24Å; L566-N568 PolarHBondContact O-N 3.14Å; N568-G572 PolarHBondContact O-N 3.25Å |
| 569 | Q | 88.3 | Confident | 89.2 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.9 | -44.4 | 177.8 | -73.3 | 171.4 | 55.7 | 0 | 0 | 112.1 | L521 N565 L566 E567 G572 L573 | L521-Q569 HydrophobicContact CD1-CB 3.95Å; L521-Q569 HydrophobicContact CD2-CB 4.4Å; N565-Q569 WeakPolarHBondContact O-CG 3.16Å; N565-Q569 PolarHBondContact O-N 3.11Å; N565-Q569 PolarHBondContact O-NE2 2.67Å; N565-Q569 PolarHBondContact OD1-NE2 3.05Å; L566-Q569 PolarHBondContact O-N 3.4Å; E567-Q569 PolarHBondContact O-N 2.65Å; Q569-G572 PolarHBondContact O-N 3.39Å; Q569-L573 PolarHBondContact O-N 3.03Å |
| 570 | I | 91.7 | Very high | 88.2 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 6% | 0.062 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.7 | -49.3 | 174.4 | -68.7 | 160.2 | 0 | 0 | 0 | 110.1 | I518 L521 E522 L525 L566 E567 G572 L573 Q574 | I518-I570 HydrophobicContact CG2-CG2 4.34Å; L521-I570 HydrophobicContact CB-CD1 3.97Å; L521-I570 HydrophobicContact CB-CG1 3.51Å; L521-I570 HydrophobicContact CD1-CG1 4.16Å; L521-I570 HydrophobicContact CG-CG1 4.47Å; E522-I570 HydrophobicContact CG-CD1 3.92Å; E522-I570 HydrophobicContact CG-CG1 4.49Å; L525-I570 HydrophobicContact CB-CD1 4.35Å; L525-I570 HydrophobicContact CD2-CD1 3.71Å; L566-I570 WeakPolarHBondContact O-CG1 3.31Å; L566-I570 PolarHBondContact O-N 3.02Å; E567-I570 PolarHBondContact O-N 2.99Å; I570-G572 VanDerWaalsContact C-N 3.31Å; I570-G572 PolarHBondContact O-N 2.78Å; I570-L573 PolarHBondContact O-N 3.26Å; I570-Q574 HydrophobicContact CG2-CG 4.35Å; I570-Q574 WeakPolarHBondContact O-CB 3.38Å; I570-Q574 VanDerWaalsContact O-CG 3.32Å; I570-Q574 WeakPolarHBondContact O-CG 3.45Å; I570-Q574 PolarHBondContact O-N 3.09Å |
| 571 | H | 91.5 | Very high | 87.1 | Confident | 103 Ų | 103 | 64.5 Ų | 64.5 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.2 | -41 | 176.9 | -176.7 | -91.9 | 0 | 0 | 0 | 112 | E567 L573 Q574 M575 | E567-H571 WeakPolarHBondContact O-CB 3.48Å; E567-H571 PolarHBondContact O-N 3.41Å; H571-L573 PolarHBondContact O-N 3.46Å; H571-Q574 PolarHBondContact O-N 3.04Å; H571-M575 VanDerWaalsContact CE1-CG 3.48Å; H571-M575 WeakPolarHBondContact CE1-CG 3.37Å; H571-M575 WeakPolarHBondContact O-CB 3.22Å; H571-M575 VanDerWaalsContact O-CG 3.23Å; H571-M575 WeakPolarHBondContact O-CG 3.46Å; H571-M575 PolarHBondContact O-N 3Å |
| 572 | G | 89.8 | Confident | 86.2 | Confident | 38 Ų | 38 | 65.4 Ų | 65.4 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N568 Q569 I570 M575 Y576 | N568-G572 PolarHBondContact O-N 3.25Å; Q569-G572 PolarHBondContact O-N 3.39Å; I570-G572 VanDerWaalsContact C-N 3.31Å; I570-G572 PolarHBondContact O-N 2.78Å; G572-M575 PolarHBondContact O-N 2.94Å; G572-Y576 PolarHBondContact O-N 3.05Å |
| 573 | L | 90 | Very high | 85.2 | Confident | 51 Ų | 51 | 68.3 Ų | 68.3 | 27% | 0.267 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.3 | -36 | 177.1 | -66.5 | 179.5 | 0 | 0 | 0 | 112.7 | I514 A517 I518 L521 Q569 I570 H571 Y576 T577 | I514-L573 HydrophobicContact CG2-CB 4.16Å; I514-L573 HydrophobicContact CG2-CD2 4.47Å; A517-L573 HydrophobicContact CB-CD1 3.93Å; I518-L573 HydrophobicContact CD1-CB 3.89Å; I518-L573 HydrophobicContact CG1-CB 3.64Å; I518-L573 HydrophobicContact CG1-CD1 3.94Å; I518-L573 HydrophobicContact CG1-CG 4.47Å; L521-L573 HydrophobicContact CD1-CD1 3.76Å; Q569-L573 PolarHBondContact O-N 3.03Å; I570-L573 PolarHBondContact O-N 3.26Å; H571-L573 PolarHBondContact O-N 3.46Å; L573-Y576 PolarHBondContact O-N 3.21Å; L573-T577 WeakPolarHBondContact O-CB 3.31Å; L573-T577 PolarHBondContact O-N 2.87Å; L573-T577 PolarHBondContact O-OG1 3.17Å |
| 574 | Q | 89.6 | Confident | 83.7 | Confident | 73 Ų | 73 | 72.2 Ų | 72.2 | 34% | 0.341 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 173.2 | -72.7 | 172.6 | -9.6 | 0 | 0 | 111.4 | I518 I570 H571 Y576 T577 Q578 | I518-Q574 HydrophobicContact CD1-CG 4Å; I570-Q574 HydrophobicContact CG2-CG 4.35Å; I570-Q574 WeakPolarHBondContact O-CB 3.38Å; I570-Q574 VanDerWaalsContact O-CG 3.32Å; I570-Q574 WeakPolarHBondContact O-CG 3.45Å; I570-Q574 PolarHBondContact O-N 3.09Å; H571-Q574 PolarHBondContact O-N 3.04Å; Q574-Y576 PolarHBondContact O-N 3.43Å; Q574-T577 WeakPolarHBondContact O-CB 3.38Å; Q574-T577 PolarHBondContact O-N 3.44Å; Q574-Q578 WeakPolarHBondContact O-CG 3.44Å; Q574-Q578 PolarHBondContact O-N 3.17Å |
| 575 | M | 84.4 | Confident | 81.8 | Confident | 65 Ų | 65 | 72.6 Ų | 72.6 | 32% | 0.32 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 174.2 | -70.9 | -66.5 | 110.5 | 0 | 0 | 112.5 | H571 G572 T577 K579 | H571-M575 VanDerWaalsContact CE1-CG 3.48Å; H571-M575 WeakPolarHBondContact CE1-CG 3.37Å; H571-M575 WeakPolarHBondContact O-CB 3.22Å; H571-M575 VanDerWaalsContact O-CG 3.23Å; H571-M575 WeakPolarHBondContact O-CG 3.46Å; H571-M575 PolarHBondContact O-N 3Å; G572-M575 PolarHBondContact O-N 2.94Å; M575-T577 VanDerWaalsContact C-N 3.33Å; M575-K579 WeakPolarHBondContact O-CB 3.38Å; M575-K579 WeakPolarHBondContact O-CG 3.43Å; M575-K579 PolarHBondContact O-N 2.87Å |
| 576 | Y | 81.4 | Confident | 79.9 | Confident | 88 Ų | 88 | 70.7 Ų | 70.7 | 35% | 0.345 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 174.1 | -174.6 | -90.9 | 0 | 0 | 0 | 111.5 | N507 Y509 I514 G572 L573 Q574 R580 | N507-Y576 PolarHBondContact ND2-OH 3.22Å; N507-Y576 VanDerWaalsContact ND2-OH 3.14Å; N507-Y576 PolarHBondContact OD1-OH 2.94Å; Y509-Y576 HydrophobicContact CD2-CE1 4.49Å; I514-Y576 HydrophobicContact CD1-CD1 3.86Å; I514-Y576 HydrophobicContact CD1-CE1 3.82Å; G572-Y576 PolarHBondContact O-N 3.05Å; L573-Y576 PolarHBondContact O-N 3.21Å; Q574-Y576 PolarHBondContact O-N 3.43Å; Y576-R580 PolarHBondContact O-N 2.77Å; Y576-R580 VanDerWaalsContact O-N 3.1Å |
| 577 | T | 82.5 | Confident | 78 | Confident | 13 Ų | 13 | 76.3 Ų | 76.3 | 8% | 0.08 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.2 | -50.1 | 177 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | F511 I514 L573 Q574 M575 K579 R580 E581 | F511-T577 HydrophobicContact CD2-CG2 3.87Å; F511-T577 HydrophobicContact CE2-CG2 3.44Å; F511-T577 VanDerWaalsContact CE2-CG2 3.44Å; F511-T577 HydrophobicContact CZ-CG2 4.38Å; I514-T577 WeakPolarHBondContact CG2-OG1 3.41Å; L573-T577 WeakPolarHBondContact O-CB 3.31Å; L573-T577 PolarHBondContact O-N 2.87Å; L573-T577 PolarHBondContact O-OG1 3.17Å; Q574-T577 WeakPolarHBondContact O-CB 3.38Å; Q574-T577 PolarHBondContact O-N 3.44Å; M575-T577 VanDerWaalsContact C-N 3.33Å; T577-K579 PolarHBondContact O-N 2.95Å; T577-R580 WeakPolarHBondContact O-CB 3.4Å; T577-R580 PolarHBondContact O-N 2.95Å; T577-R580 VanDerWaalsContact O-N 3.09Å; T577-E581 PolarHBondContact O-N 2.92Å; T577-E581 VanDerWaalsContact O-N 3.11Å |
| 578 | Q | 81.7 | Confident | 75.7 | Confident | 108 Ų | 108 | 81.5 Ų | 81.5 | 51% | 0.505 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 178.5 | -71.5 | 176 | 1.3 | 0 | 0 | 112.5 | Q574 R580 E581 I582 | Q574-Q578 WeakPolarHBondContact O-CG 3.44Å; Q574-Q578 PolarHBondContact O-N 3.17Å; Q578-R580 PolarHBondContact O-N 3.12Å; Q578-E581 PolarHBondContact O-N 3.31Å; Q578-I582 WeakPolarHBondContact O-CG1 3.32Å; Q578-I582 PolarHBondContact O-N 2.99Å; Q578-I582 VanDerWaalsContact O-N 3.13Å |
| 579 | K | 79.6 | Confident | 73.5 | Confident | 144 Ų | 144 | 82.6 Ų | 82.6 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58.3 | -35.6 | 175 | -76.2 | 180 | 176.3 | -174 | 0 | 112.5 | M575 T577 L583 | M575-K579 WeakPolarHBondContact O-CB 3.38Å; M575-K579 WeakPolarHBondContact O-CG 3.43Å; M575-K579 PolarHBondContact O-N 2.87Å; T577-K579 PolarHBondContact O-N 2.95Å; K579-L583 WeakPolarHBondContact O-CB 3.41Å; K579-L583 WeakPolarHBondContact O-CG 3.32Å; K579-L583 PolarHBondContact O-N 3.46Å; K579-L583 VanDerWaalsContact O-N 3.11Å |
| 580 | R | 72.6 | Confident | 71.3 | Confident | 51 Ų | 51 | 85.5 Ų | 85.5 | 19% | 0.192 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70.5 | -38.3 | 178.4 | -166.3 | -178.4 | -171.1 | 171.3 | 6.7 | 112.7 | N507 Y509 Y576 T577 Q578 L583 K584 | N507-R580 PolarHBondContact OD1-NH1 3.27Å; N507-R580 PolarHBondContact OD1-NH2 2.89Å; Y509-R580 PolarHBondContact O-NH1 3.47Å; Y509-R580 PolarHBondContact O-NH2 3.02Å; Y576-R580 PolarHBondContact O-N 2.77Å; Y576-R580 VanDerWaalsContact O-N 3.1Å; T577-R580 WeakPolarHBondContact O-CB 3.4Å; T577-R580 PolarHBondContact O-N 2.95Å; T577-R580 VanDerWaalsContact O-N 3.09Å; Q578-R580 PolarHBondContact O-N 3.12Å; R580-L583 PolarHBondContact O-N 3.06Å; R580-K584 PolarHBondContact O-N 3.28Å; R580-K584 VanDerWaalsContact O-N 3.15Å |
| 581 | E | 70.4 | Confident | 68.9 | Low | 65 Ų | 65 | 89.1 Ų | 89.1 | 30% | 0.304 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 175.4 | -59.5 | -47.9 | 127.2 | 0 | 0 | 111.3 | T577 Q578 L583 K584 S585 | T577-E581 PolarHBondContact O-N 2.92Å; T577-E581 VanDerWaalsContact O-N 3.11Å; Q578-E581 PolarHBondContact O-N 3.31Å; E581-L583 VanDerWaalsContact C-N 3.28Å; E581-L583 PolarHBondContact O-N 3.36Å; E581-K584 WeakPolarHBondContact O-CB 3.35Å; E581-K584 PolarHBondContact O-N 3.42Å; E581-K584 WeakPolarHBondContact OE1-CE 3.46Å; E581-K584 IonicContact OE1-NZ 2.85Å; E581-K584 PolarHBondContact OE1-NZ 3.03Å; E581-K584 WeakPolarHBondContact OE2-CE 3.46Å; E581-K584 IonicContact OE2-NZ 2.68Å; E581-K584 PolarHBondContact OE2-NZ 3.31Å; E581-S585 PolarHBondContact O-N 3.04Å; E581-S585 VanDerWaalsContact O-N 3.07Å; E581-S585 PolarHBondContact O-OG 3.3Å |
| 582 | I | 70.9 | Confident | 66.4 | Low | 116 Ų | 116 | 88 Ų | 88 | 60% | 0.595 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -56 | -43.9 | 173.5 | -64.1 | 165.2 | 0 | 0 | 0 | 111.1 | Q578 K584 S585 S586 | Q578-I582 WeakPolarHBondContact O-CG1 3.32Å; Q578-I582 PolarHBondContact O-N 2.99Å; Q578-I582 VanDerWaalsContact O-N 3.13Å; I582-K584 VanDerWaalsContact C-N 3.27Å; I582-K584 PolarHBondContact O-N 2.84Å; I582-S585 PolarHBondContact O-N 3.25Å; I582-S586 PolarHBondContact O-N 2.87Å; I582-S586 VanDerWaalsContact O-N 3.15Å; I582-S586 PolarHBondContact O-OG 3.2Å |
| 583 | L | 67.1 | Low | 63.7 | Low | 113 Ų | 113 | 92.4 Ų | 92.4 | 59% | 0.592 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.6 | -15.9 | 176.4 | -79.5 | 165.3 | 0 | 0 | 0 | 114.7 | K579 R580 E581 | K579-L583 WeakPolarHBondContact O-CB 3.41Å; K579-L583 WeakPolarHBondContact O-CG 3.32Å; K579-L583 PolarHBondContact O-N 3.46Å; K579-L583 VanDerWaalsContact O-N 3.11Å; R580-L583 PolarHBondContact O-N 3.06Å; E581-L583 VanDerWaalsContact C-N 3.28Å; E581-L583 PolarHBondContact O-N 3.36Å |
| 584 | K | 61.5 | Low | 61.1 | Low | 86 Ų | 86 | 95 Ų | 95 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -81.2 | -50.6 | 168 | -65.9 | 179.3 | -156.3 | 160.8 | 0 | 110.2 | R580 E581 I582 S586 K587 Y588 | R580-K584 PolarHBondContact O-N 3.28Å; R580-K584 VanDerWaalsContact O-N 3.15Å; E581-K584 WeakPolarHBondContact O-CB 3.35Å; E581-K584 PolarHBondContact O-N 3.42Å; E581-K584 WeakPolarHBondContact OE1-CE 3.46Å; E581-K584 IonicContact OE1-NZ 2.85Å; E581-K584 PolarHBondContact OE1-NZ 3.03Å; E581-K584 WeakPolarHBondContact OE2-CE 3.46Å; E581-K584 IonicContact OE2-NZ 2.68Å; E581-K584 PolarHBondContact OE2-NZ 3.31Å; I582-K584 VanDerWaalsContact C-N 3.27Å; I582-K584 PolarHBondContact O-N 2.84Å; K584-S586 VanDerWaalsContact C-N 3.28Å; K584-S586 PolarHBondContact O-N 2.64Å; K584-K587 PolarHBondContact O-N 3.4Å; K584-Y588 WeakPolarHBondContact O-CD2 3.43Å; K584-Y588 PolarHBondContact O-N 3.29Å |
| 585 | S | 52.8 | Low | 58.3 | Low | 71 Ų | 71 | 98.5 Ų | 98.5 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -52.5 | -48.4 | -178.4 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | E581 I582 K587 Y588 E589 | E581-S585 PolarHBondContact O-N 3.04Å; E581-S585 VanDerWaalsContact O-N 3.07Å; E581-S585 PolarHBondContact O-OG 3.3Å; I582-S585 PolarHBondContact O-N 3.25Å; S585-K587 PolarHBondContact O-N 3.34Å; S585-K587 VanDerWaalsContact O-N 3.09Å; S585-Y588 PolarHBondContact O-N 3.48Å; S585-Y588 VanDerWaalsContact O-N 3.09Å; S585-E589 PolarHBondContact O-N 3.36Å |
| 586 | S | 52.7 | Low | 55.7 | Low | 48 Ų | 48 | 99.6 Ų | 99.6 | 34% | 0.336 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -13.8 | 179.1 | 69.3 | 0 | 0 | 0 | 0 | 114.8 | I582 K584 N590 | I582-S586 PolarHBondContact O-N 2.87Å; I582-S586 VanDerWaalsContact O-N 3.15Å; I582-S586 PolarHBondContact O-OG 3.2Å; K584-S586 VanDerWaalsContact C-N 3.28Å; K584-S586 PolarHBondContact O-N 2.64Å; S586-N590 PolarHBondContact O-ND2 3.45Å |
| 587 | K | 53.9 | Low | 53.4 | Low | 124 Ų | 124 | 101.8 Ų | 101.8 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -89.5 | -32.1 | 172.5 | -76.2 | -166.5 | 173.3 | -165.3 | 0 | 112.7 | K584 S585 T591 | K584-K587 PolarHBondContact O-N 3.4Å; S585-K587 PolarHBondContact O-N 3.34Å; S585-K587 VanDerWaalsContact O-N 3.09Å; K587-T591 PolarHBondContact O-OG1 3.33Å |
| 588 | Y | 46.9 | Very low | 51.2 | Low | 178 Ų | 178 | 107.7 Ų | 107.7 | 70% | 0.698 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73 | -42.1 | 176.7 | -79.9 | -81 | 0 | 0 | 0 | 112 | K584 S585 N590 T591 S592 | K584-Y588 WeakPolarHBondContact O-CD2 3.43Å; K584-Y588 PolarHBondContact O-N 3.29Å; S585-Y588 PolarHBondContact O-N 3.48Å; S585-Y588 VanDerWaalsContact O-N 3.09Å; Y588-N590 VanDerWaalsContact C-N 3.3Å; Y588-N590 PolarHBondContact O-N 3.31Å; Y588-T591 PolarHBondContact O-N 2.9Å; Y588-T591 VanDerWaalsContact O-N 3.11Å; Y588-T591 PolarHBondContact O-OG1 2.93Å; Y588-T591 VanDerWaalsContact O-OG1 3.11Å; Y588-S592 PolarHBondContact O-N 3.06Å |
| 589 | E | 44 | Very low | 48.9 | Very low | 127 Ų | 127 | 112 Ų | 112 | 59% | 0.593 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.7 | -37.9 | 176 | -67.4 | 175.7 | 127.5 | 0 | 0 | 112.5 | S585 T591 S592 I593 | S585-E589 PolarHBondContact O-N 3.36Å; E589-T591 VanDerWaalsContact C-N 3.25Å; E589-T591 PolarHBondContact O-N 3.36Å; E589-S592 PolarHBondContact O-OG 3.05Å; E589-I593 VanDerWaalsContact O-CD1 3.29Å; E589-I593 WeakPolarHBondContact O-CD1 3.36Å; E589-I593 WeakPolarHBondContact O-CG1 3.2Å |
| 590 | N | 42.3 | Very low | 46.5 | Very low | 121 Ų | 121 | 110.3 Ų | 110.3 | 65% | 0.647 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -78.8 | 2.9 | 178.1 | -76.3 | -68.5 | 0 | 0 | 0 | 114.8 | S586 Y588 | S586-N590 PolarHBondContact O-ND2 3.45Å; Y588-N590 VanDerWaalsContact C-N 3.3Å; Y588-N590 PolarHBondContact O-N 3.31Å |
| 591 | T | 42.4 | Very low | 44.6 | Very low | 88 Ų | 88 | 113.3 Ų | 113.3 | 54% | 0.54 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -118.4 | -16.3 | 177.7 | 46.1 | 0 | 0 | 0 | 0 | 114.5 | K587 Y588 E589 | K587-T591 PolarHBondContact O-OG1 3.33Å; Y588-T591 PolarHBondContact O-N 2.9Å; Y588-T591 VanDerWaalsContact O-N 3.11Å; Y588-T591 PolarHBondContact O-OG1 2.93Å; Y588-T591 VanDerWaalsContact O-OG1 3.11Å; E589-T591 VanDerWaalsContact C-N 3.25Å; E589-T591 PolarHBondContact O-N 3.36Å |
| 592 | S | 37.6 | Very low | 42.7 | Very low | 81 Ų | 81 | 117 Ų | 117 | 57% | 0.566 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78 | -30 | 168.5 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | Y588 E589 C594 | Y588-S592 PolarHBondContact O-N 3.06Å; E589-S592 PolarHBondContact O-OG 3.05Å; S592-C594 VanDerWaalsContact C-N 3.26Å; S592-C594 PolarHBondContact O-N 2.87Å |
| 593 | I | 34.4 | Very low | 41.1 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 67% | 0.667 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -7.2 | -171.7 | -65.8 | 172.2 | 0 | 0 | 0 | 114 | E589 | E589-I593 VanDerWaalsContact O-CD1 3.29Å; E589-I593 WeakPolarHBondContact O-CD1 3.36Å; E589-I593 WeakPolarHBondContact O-CG1 3.2Å |
| 594 | C | 34 | Very low | 39.4 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 70% | 0.703 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 13.1 | -179.8 | -60.9 | 0 | 0 | 0 | 0 | 115 | S592 | S592-C594 VanDerWaalsContact C-N 3.26Å; S592-C594 PolarHBondContact O-N 2.87Å |
| 595 | N | 31.9 | Very low | 37.9 | Very low | 148 Ų | 148 | 122.3 Ų | 122.3 | 79% | 0.791 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -131.8 | 34.2 | 179.4 | -71.6 | -69.4 | 0 | 0 | 0 | 113.6 | | |
| 596 | S | 29.1 | Very low | 37 | Very low | 87 Ų | 87 | 126.2 Ų | 126.2 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | | | trans | -133.3 | 120.1 | 153.8 | -178.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 597 | D | 33.8 | Very low | 35.8 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | | | | 171.5 | 124.8 | 124.9 | -86 | 1.3 | 0 | 0 | 0 | 112.9 | | |
| 598 | H | 36 | Very low | 34.8 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 63% | 0.634 | 71% | 0.711 | S | S | * | * | | | trans | 72.5 | 122.1 | 144.4 | -79.6 | -82.9 | 0 | 0 | 0 | 123.3 | | |
| 599 | Y | 32.5 | Very low | 34 | Very low | 199 Ų | 199 | 129.7 Ų | 129.7 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | | | trans | 63.5 | 120.3 | 164.2 | -51.1 | -70.5 | 0 | 0 | 0 | 117.9 | | |
| 600 | S | 30.2 | Very low | 33.4 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | | | cis | 80.8 | 133.9 | 28.1 | -160.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 601 | T | 33.1 | Very low | 32.9 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 69% | 0.693 | 72% | 0.723 | S | S | * | * | | | trans | 92.3 | 81.7 | 170.8 | -38.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 602 | N | 30.5 | Very low | 32.5 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | | 42.5 | 146.8 | 122.2 | -58.4 | -41.8 | 0 | 0 | 0 | 123.1 | | |
| 603 | Q | 35.8 | Very low | 32.2 | Very low | 190 Ų | 190 | 132.6 Ų | 132.6 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | | | trans | 80.6 | 146 | 160.5 | -48.7 | -160.6 | 46.9 | 0 | 0 | 117.4 | | |
| 604 | S | 31.7 | Very low | 32.2 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | | | cis | -166 | 138.9 | -26.1 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 605 | L | 30 | Very low | 32 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | | | trans | 58.9 | 142.6 | 147.8 | -77 | 172.4 | 0 | 0 | 0 | 124.2 | | |
| 606 | L | 33.4 | Very low | 32.4 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | | | trans | 67.5 | 120.9 | 155.5 | -61.5 | 160.4 | 0 | 0 | 0 | 118.1 | | |
| 607 | K | 28.4 | Very low | 32.6 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | cis | 81.7 | 88.7 | 20.6 | -163.6 | -159.7 | 173.4 | -173.8 | 0 | 117.1 | | |
| 608 | V | 32.8 | Very low | 32.5 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | | | trans | -141.4 | 155.9 | 145.2 | -172.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 609 | S | 29.6 | Very low | 32.3 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | trans | -129.5 | 170.6 | -173.1 | -53.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 610 | S | 32.4 | Very low | 32.1 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | 64.6 | 155.1 | 175.6 | 68 | 0 | 0 | 0 | 0 | 115 | | |
| 611 | S | 31.7 | Very low | 32 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | cis | -165 | 167 | 2.1 | 10.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 612 | S | 33.1 | Very low | 32.1 | Very low | 95 Ų | 95 | 127 Ų | 127 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | | | cis | -177 | 168.6 | -13.5 | 51.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 613 | L | 32 | Very low | 32 | Very low | 163 Ų | 163 | 125 Ų | 125 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | 68.9 | 157.9 | 172.6 | -57.5 | 155.8 | 0 | 0 | 0 | 114.5 | | |
| 614 | S | 35.2 | Very low | 31.6 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | cis | -163.2 | 142.8 | -22.5 | 46 | 0 | 0 | 0 | 0 | 109.9 | | |
| 615 | S | 29.1 | Very low | 31.8 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -76.6 | -179.2 | 170.3 | -20.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 616 | P | 39 | Very low | 31.9 | Very low | 113 Ų | 113 | 122 Ų | 122 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | cis | -129.7 | -173.4 | -17.8 | 41.1 | -26 | 0 | 0 | 0 | 112.4 | | |
| 617 | L | 33.9 | Very low | 31.9 | Very low | 163 Ų | 163 | 122 Ų | 122 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | -175.9 | 156.1 | 130 | -101.4 | 160.3 | 0 | 0 | 0 | 113.4 | | |
| 618 | S | 31.9 | Very low | 31.9 | Very low | 98 Ų | 98 | 118.1 Ų | 118.1 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | trans | -63.9 | 155.3 | 178.5 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 619 | S | 31.3 | Very low | 31.9 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | | -179.5 | 172.6 | 57.5 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 620 | C | 29 | Very low | 32 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | | | trans | 64.2 | 106.8 | 160.5 | -60.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 621 | S | 27.3 | Very low | 32 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | | | trans | -66.9 | 176.4 | 151.5 | -36.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 622 | P | 36 | Very low | 32 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | | | cis | -136 | -166.6 | 4 | 41.6 | -22.4 | 0 | 0 | 0 | 115.2 | | |
| 623 | S | 28.2 | Very low | 31.8 | Very low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | trans | 77 | 103.6 | 155.5 | -58.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 624 | S | 28.5 | Very low | 31.8 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | trans | 49.4 | 80.9 | 137.5 | 62.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 625 | S | 35.6 | Very low | 31.4 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | | | trans | -119.7 | 112.1 | 148.8 | 50.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 626 | L | 32.1 | Very low | 31.4 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | | | | 67.3 | 113.9 | 78.4 | -70.8 | 171.6 | 0 | 0 | 0 | 113.4 | | |
| 627 | L | 31.9 | Very low | 31 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | | | trans | 63.2 | 142.2 | 136.1 | -55 | 177.1 | 0 | 0 | 0 | 117.3 | | |
| 628 | S | 29.5 | Very low | 30.6 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | | | cis | -169.5 | -161.6 | 2.4 | -127.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 629 | R | 32.9 | Very low | 30.6 | Very low | 219 Ų | 219 | 132.5 Ų | 132.5 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | | | trans | 86.2 | 123.3 | 147.3 | -155.7 | 168.6 | -159.9 | 176.6 | 5.3 | 115.8 | | |
| 630 | E | 32 | Very low | 30.4 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 46% | 0.463 | 74% | 0.743 | S | S | . | * | | | cis | -152.8 | 151 | -9 | -127.1 | 179 | 113.6 | 0 | 0 | 110.5 | | |
| 631 | R | 31.4 | Very low | 30.3 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 68% | 0.683 | 75% | 0.745 | S | S | * | * | | | trans | 26.7 | 138.5 | 131.6 | -68.2 | 179.2 | -165.6 | 154.4 | -13.4 | 118.2 | | |
| 632 | R | 32.1 | Very low | 30.5 | Very low | 201 Ų | 201 | 138.2 Ų | 138.2 | 76% | 0.758 | 74% | 0.74 | S | S | * | * | | | cis | -177.2 | 171.9 | 22 | -111.4 | 178.8 | -70.4 | -157.6 | -4.6 | 106 | | |
| 633 | S | 28 | Very low | 30.1 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 57% | 0.573 | 74% | 0.739 | S | S | * | * | | | cis | -177.5 | 179.6 | -3.4 | 42.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 634 | I | 32.3 | Very low | 30.3 | Very low | 149 Ų | 149 | 142 Ų | 142 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | | | trans | 75.5 | 146.5 | 162 | -57.3 | 153.1 | 0 | 0 | 0 | 114.4 | | |
| 635 | D | 28.3 | Very low | 30.5 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 63% | 0.631 | 74% | 0.738 | S | S | * | * | | | cis | -177.8 | 155.7 | -47.1 | -115.6 | -65.7 | 0 | 0 | 0 | 107.9 | | |
| 636 | Q | 27.3 | Very low | 30.2 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | | | trans | 36.4 | 101.3 | 149.9 | -65.2 | 157.7 | 57.2 | 0 | 0 | 120.7 | | |
| 637 | S | 31 | Very low | 30.1 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | | -174.6 | 114.7 | 124.7 | 27 | 0 | 0 | 0 | 0 | 108.9 | | |
| 638 | T | 26.5 | Very low | 30.1 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | | 46.2 | 88 | 73.2 | 68.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 639 | N | 31.3 | Very low | 30.1 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | | | trans | -151.4 | 123.4 | 137.1 | -94.9 | -35.3 | 0 | 0 | 0 | 109.3 | | |
| 640 | E | 27.4 | Very low | 29.9 | Very low | 184 Ų | 184 | 146.1 Ų | 146.1 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | | | trans | -75.2 | 149.6 | 164.6 | -53.2 | 168.5 | 129.1 | 0 | 0 | 108.6 | | |
| 641 | I | 27 | Very low | 29.7 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | | | trans | 178.9 | 147.8 | 141.4 | -97.1 | 154.9 | 0 | 0 | 0 | 109.1 | | |
| 642 | P | 30.7 | Very low | 29.5 | Very low | 104 Ų | 104 | 147.7 Ų | 147.7 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | | | trans | -123.6 | -172.6 | -139.6 | 42.3 | -30.5 | 0 | 0 | 0 | 115.4 | | |
| 643 | S | 28.1 | Very low | 29.4 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | | | trans | 71.4 | 112.9 | 152.4 | -61.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 644 | K | 33 | Very low | 29.4 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | | | | -162.8 | 114.2 | 106.5 | -101.5 | 151.7 | -173.6 | 173.5 | 0 | 113.9 | | |
| 645 | I | 32 | Very low | 29.1 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 67% | 0.667 | 76% | 0.761 | S | S | * | * | | | trans | 37.9 | 109.3 | 133.9 | -45.6 | 172.4 | 0 | 0 | 0 | 116.1 | I647 | I645-I647 HydrophobicContact CG2-CD1 4.19Å; I645-I647 HydrophobicContact CG2-CG1 3.54Å |
| 646 | N | 29.6 | Very low | 29.2 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | cis | 68.5 | 48.9 | 42.8 | -155.5 | 12.4 | 0 | 0 | 0 | 116 | | |
| 647 | I | 30.5 | Very low | 29.2 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | -118.6 | 60.9 | 166.5 | -38.8 | -173 | 0 | 0 | 0 | 112 | I645 | I645-I647 HydrophobicContact CG2-CD1 4.19Å; I645-I647 HydrophobicContact CG2-CG1 3.54Å |
| 648 | L | 31.1 | Very low | 28.9 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -129.5 | 14 | 165.9 | -98.3 | 169.4 | 0 | 0 | 0 | 112.6 | | |
| 649 | K | 28.7 | Very low | 28.9 | Very low | 179 Ų | 179 | 148.5 Ų | 148.5 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -149.6 | 33.5 | -170.4 | -139.4 | 171.3 | -175.5 | 177.3 | 0 | 116.7 | | |
| 650 | K | 28.9 | Very low | 28.7 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | | | trans | -149.5 | 142 | 155.3 | -82.5 | -166.3 | 174.2 | -147.7 | 0 | 105.1 | E653 | K650-E653 IonicContact NZ-OE1 2.76Å; K650-E653 PolarHBondContact NZ-OE1 3.48Å |
| 651 | Y | 27.7 | Very low | 28.6 | Very low | 220 Ų | 220 | 144 Ų | 144 | 86% | 0.863 | 75% | 0.75 | S | S | * | * | | | cis | -94.4 | 123.6 | 20.9 | -68.5 | -100.3 | 0 | 0 | 0 | 114.1 | | |
| 652 | S | 29 | Very low | 28.7 | Very low | 93 Ų | 93 | 143.7 Ų | 143.7 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | | | trans | -139.8 | 43.4 | 165.3 | 66.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 653 | E | 28.8 | Very low | 28.5 | Very low | 121 Ų | 121 | 144 Ų | 144 | 57% | 0.565 | 75% | 0.75 | S | S | * | * | | | trans | -92.5 | 113.5 | 164.8 | -74.4 | 152.5 | -163.2 | 0 | 0 | 105.5 | K650 | K650-E653 IonicContact NZ-OE1 2.76Å; K650-E653 PolarHBondContact NZ-OE1 3.48Å |
| 654 | K | 28 | Very low | 28.5 | Very low | 198 Ų | 198 | 143.7 Ų | 143.7 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | | | | 52.8 | 54.5 | 53 | -75.2 | -165.2 | 170.8 | -173.7 | 0 | 113.2 | | |
| 655 | V | 26.8 | Very low | 28.2 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | | | trans | -118.6 | 103.3 | 147.3 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 656 | N | 29.4 | Very low | 28 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | | | trans | 31.6 | 107.7 | 155.2 | -51.8 | -19.6 | 0 | 0 | 0 | 116.9 | | |
| 657 | H | 26.6 | Very low | 28 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | | | | 39.4 | 72.3 | 60.6 | -66 | -73.7 | 0 | 0 | 0 | 114.2 | | |
| 658 | S | 26.6 | Very low | 27.9 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | | | trans | -137.3 | 68.2 | 151.9 | 52.3 | 0 | 0 | 0 | 0 | 110.4 | I660 | S658-I660 PolarHBondContact O-N 3.24Š|
| 659 | S | 26.1 | Very low | 27.8 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | -65.8 | 96.1 | 168.4 | 48.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 660 | I | 26.1 | Very low | 27.7 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 65% | 0.646 | 76% | 0.758 | S | S | * | * | | | trans | -107.2 | 83.6 | 174.7 | -58.7 | -175.7 | 0 | 0 | 0 | 109.6 | S658 H662 | S658-I660 PolarHBondContact O-N 3.24Å; I660-H662 HydrophobicContact CG2-CB 4.24Å; I660-H662 WeakPolarHBondContact CG2-CD2 3.35Å; I660-H662 PolarHBondContact O-N 2.85Å |
| 661 | T | 26.6 | Very low | 27.7 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | | | trans | -80.6 | 82.3 | 160.9 | 44.9 | 0 | 0 | 0 | 0 | 109.3 | S663 | T661-S663 PolarHBondContact O-N 3.09Š|
| 662 | H | 28.3 | Very low | 27.7 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | -85 | 91.2 | 171.5 | -95.3 | -47.8 | 0 | 0 | 0 | 111.9 | I660 | I660-H662 HydrophobicContact CG2-CB 4.24Å; I660-H662 WeakPolarHBondContact CG2-CD2 3.35Å; I660-H662 PolarHBondContact O-N 2.85Å |
| 663 | S | 26.6 | Very low | 27.7 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | trans | -88.1 | 91.8 | 161.2 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | T661 | T661-S663 PolarHBondContact O-N 3.09Š|
| 664 | S | 28.4 | Very low | 27.6 | Very low | 95 Ų | 95 | 146.4 Ų | 146.4 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | trans | -175.5 | 72.7 | 164.3 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 665 | V | 26.8 | Very low | 27.8 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | | | trans | -145.7 | 74.9 | 144.3 | -165.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 666 | K | 28.3 | Very low | 27.9 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | -101.2 | 170.3 | 135.7 | -84 | -173.1 | 173.3 | -176.4 | 0 | 106.9 | | |
| 667 | D | 29.3 | Very low | 27.9 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | | | trans | 68.2 | 70 | 171.8 | -48.2 | -26.2 | 0 | 0 | 0 | 115.4 | | |
| 668 | L | 28.3 | Very low | 28 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -138.8 | 126 | 145.4 | -106.6 | 153.7 | 0 | 0 | 0 | 109.6 | | |
| 669 | L | 28.9 | Very low | 28.2 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | 67.4 | 87.2 | 166.7 | -57.3 | 174.5 | 0 | 0 | 0 | 117.9 | | |
| 670 | F | 26.6 | Very low | 28.1 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 82% | 0.82 | 79% | 0.786 | S | S | * | * | | | trans | -49 | 175.9 | 138.5 | -104.3 | -107.6 | 0 | 0 | 0 | 113.3 | | |
| 671 | M | 29.1 | Very low | 28.2 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | | | trans | 86.2 | 128.4 | -176.7 | -53.4 | -63.2 | 105.5 | 0 | 0 | 113 | | |
| 672 | Q | 27.6 | Very low | 28.2 | Very low | 184 Ų | 184 | 155.4 Ų | 155.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | cis | -146.4 | 168.6 | -0.4 | -162.7 | 160.8 | -10.8 | 0 | 0 | 111.6 | | |
| 673 | K | 27.8 | Very low | 28 | Very low | 172 Ų | 172 | 153.1 Ų | 153.1 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -77.8 | 152.3 | -169.8 | -98.7 | 176.5 | 149.7 | -109.2 | 0 | 115.9 | | |
| 674 | D | 27.5 | Very low | 27.9 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | | | trans | 44.5 | 104.4 | 136.3 | -46.7 | -24.8 | 0 | 0 | 0 | 120.7 | | |
| 675 | V | 31.2 | Very low | 27.7 | Very low | 134 Ų | 134 | 155.6 Ų | 155.6 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -141.9 | 104.7 | 140.8 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 676 | N | 30.9 | Very low | 27.6 | Very low | 140 Ų | 140 | 152.6 Ų | 152.6 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | 34.4 | 124.1 | 142.7 | -57.4 | -23.3 | 0 | 0 | 0 | 123.1 | | |
| 677 | N | 28.5 | Very low | 27.4 | Very low | 161 Ų | 161 | 154 Ų | 154 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | trans | 30.2 | 107.7 | 131.5 | -68.6 | -23.2 | 0 | 0 | 0 | 120 | | |
| 678 | A | 28.1 | Very low | 27.4 | Very low | 94 Ų | 94 | 152.7 Ų | 152.7 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | | -178.2 | 155.9 | 116.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 679 | K | 30.4 | Very low | 27.3 | Very low | 193 Ų | 193 | 151 Ų | 151 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | 60.6 | 106.4 | 164.8 | -67.1 | 176.1 | -176.1 | 172.4 | 0 | 117.5 | L681 | K679-L681 PolarHBondContact O-N 3.17Š|
| 680 | I | 24.9 | Very low | 27.2 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 92% | 0.918 | 76% | 0.764 | S | S | * | * | | | trans | -57.7 | 102.4 | 164.5 | -59 | 166 | 0 | 0 | 0 | 109.9 | | |
| 681 | L | 28.9 | Very low | 27.2 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | -94.7 | 137.8 | 166.8 | -82.8 | 165.7 | 0 | 0 | 0 | 110 | K679 | K679-L681 PolarHBondContact O-N 3.17Š|
| 682 | R | 24.8 | Very low | 27.1 | Very low | 231 Ų | 231 | 152 Ų | 152 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | | | trans | -66.5 | 135.6 | -174.3 | -64.2 | 175.2 | 178.4 | 166.4 | -0.1 | 110.3 | V684 | R682-V684 PolarHBondContact O-N 3.45Š|
| 683 | P | 24.9 | Very low | 27.1 | Very low | 116 Ų | 116 | 150 Ų | 150 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | trans | -65 | 103 | 164.6 | 27.3 | -32.5 | 0 | 0 | 0 | 108.8 | I685 | P683-I685 PolarHBondContact O-N 2.92Š|
| 684 | V | 24.7 | Very low | 27.2 | Very low | 129 Ų | 129 | 148 Ų | 148 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | | | trans | -68.4 | 100.5 | 164.1 | 176.3 | 0 | 0 | 0 | 0 | 106.1 | R682 S686 | R682-V684 PolarHBondContact O-N 3.45Å; V684-S686 PolarHBondContact O-N 2.98Å |
| 685 | I | 25 | Very low | 27 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 67% | 0.672 | 77% | 0.767 | S | S | * | * | | | trans | -72.7 | 76.4 | 172 | -53.4 | -179.9 | 0 | 0 | 0 | 107.9 | P683 Y687 | P683-I685 PolarHBondContact O-N 2.92Å; I685-Y687 HydrophobicContact CG2-CD2 3.87Å; I685-Y687 HydrophobicContact CG2-CE2 3.71Å; I685-Y687 PolarHBondContact O-N 3.49Å |
| 686 | S | 23.5 | Very low | 26.9 | Very low | 73 Ų | 73 | 148.4 Ų | 148.4 | 51% | 0.51 | 76% | 0.761 | S | S | . | * | | | trans | -64.3 | 109.2 | 157.5 | -176.9 | 0 | 0 | 0 | 0 | 106.8 | V684 H688 | V684-S686 PolarHBondContact O-N 2.98Å; S686-H688 PolarHBondContact O-N 3.41Å |
| 687 | Y | 25.1 | Very low | 26.6 | Very low | 216 Ų | 216 | 147.8 Ų | 147.8 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | | | trans | -71.2 | 90.2 | 163.5 | -92.3 | -83.7 | 0 | 0 | 0 | 107.4 | I685 S689 | I685-Y687 HydrophobicContact CG2-CD2 3.87Å; I685-Y687 HydrophobicContact CG2-CE2 3.71Å; I685-Y687 PolarHBondContact O-N 3.49Å; Y687-S689 PolarHBondContact O-N 2.9Å |
| 688 | H | 27.7 | Very low | 26.5 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 61% | 0.606 | 75% | 0.753 | S | S | * | * | | | trans | -50 | 124.9 | 177 | -87.3 | -102.8 | 0 | 0 | 0 | 110.8 | S686 N690 | S686-H688 PolarHBondContact O-N 3.41Å; H688-N690 HydrophobicContact CB-CB 4.34Å; H688-N690 WeakPolarHBondContact CB-OD1 3.28Å; H688-N690 PolarHBondContact O-N 3.43Å |
| 689 | S | 26.6 | Very low | 26.4 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | -66.7 | 72.7 | 150.6 | 53.1 | 0 | 0 | 0 | 0 | 108.6 | Y687 Q691 | Y687-S689 PolarHBondContact O-N 2.9Å; S689-Q691 PolarHBondContact O-N 3.29Å |
| 690 | N | 28.1 | Very low | 26.3 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 61% | 0.61 | 75% | 0.752 | S | S | * | * | | | trans | -69.6 | 93.6 | 179.8 | -91.8 | -21.7 | 0 | 0 | 0 | 109.7 | H688 R692 | H688-N690 HydrophobicContact CB-CB 4.34Å; H688-N690 WeakPolarHBondContact CB-OD1 3.28Å; H688-N690 PolarHBondContact O-N 3.43Å; N690-R692 PolarHBondContact O-N 3.02Å |
| 691 | Q | 26.6 | Very low | 26.3 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | | | trans | -63.9 | 100.8 | 164.1 | -70.9 | -179.4 | -14.5 | 0 | 0 | 108.9 | S689 | S689-Q691 PolarHBondContact O-N 3.29Š|
| 692 | R | 26.7 | Very low | 26.2 | Very low | 211 Ų | 211 | 144.5 Ų | 144.5 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | | | trans | -141 | 120.6 | 164.4 | -78.2 | -170.4 | -175.4 | 176.8 | 0.4 | 105.9 | N690 | N690-R692 PolarHBondContact O-N 3.02Š|
| 693 | N | 28.3 | Very low | 26.3 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | | | cis | -134.3 | 169.2 | 6.2 | -70 | -36 | 0 | 0 | 0 | 111.9 | | |
| 694 | L | 29.3 | Very low | 26.4 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | | | trans | -49.3 | 150.2 | 151.3 | -84.4 | 63.1 | 0 | 0 | 0 | 109.8 | Q696 | L694-Q696 HydrophobicContact CD2-CB 4.05Å; L694-Q696 HydrophobicContact CG-CB 4.05Å; L694-Q696 HydrophobicContact CG-CG 4.36Å |
| 695 | P | 23.9 | Very low | 26.7 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | | | | -108.3 | 105.6 | 72.4 | 32.6 | -34.9 | 0 | 0 | 0 | 114.4 | T697 | P695-T697 VanDerWaalsContact C-N 3.33Å; P695-T697 PolarHBondContact O-N 3.13Å |
| 696 | Q | 27.4 | Very low | 26.8 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | trans | -88.8 | 76.9 | 145.7 | -77.4 | -175.8 | -51.8 | 0 | 0 | 108.2 | L694 S698 | L694-Q696 HydrophobicContact CD2-CB 4.05Å; L694-Q696 HydrophobicContact CG-CB 4.05Å; L694-Q696 HydrophobicContact CG-CG 4.36Å; Q696-S698 PolarHBondContact O-N 3.32Å |
| 697 | T | 26.3 | Very low | 27.1 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | | | trans | -86.4 | 59.1 | 160.5 | 48 | 0 | 0 | 0 | 0 | 109.1 | P695 L699 | P695-T697 VanDerWaalsContact C-N 3.33Å; P695-T697 PolarHBondContact O-N 3.13Å; T697-L699 VanDerWaalsContact C-N 3.27Å; T697-L699 PolarHBondContact O-N 2.86Å |
| 698 | S | 25 | Very low | 27.5 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | trans | -94.4 | 55.5 | 171.4 | 57.8 | 0 | 0 | 0 | 0 | 110.6 | Q696 | Q696-S698 PolarHBondContact O-N 3.32Š|
| 699 | L | 26.9 | Very low | 27.5 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | | | trans | -128.2 | 102.9 | 159 | -77.5 | 167.2 | 0 | 0 | 0 | 103.5 | T697 | T697-L699 VanDerWaalsContact C-N 3.27Å; T697-L699 PolarHBondContact O-N 2.86Å |
| 700 | Q | 28.2 | Very low | 27.7 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | | 35.2 | 82.1 | 79.1 | -71.8 | -164.8 | -11.4 | 0 | 0 | 111.3 | | |
| 701 | H | 25.1 | Very low | 27.7 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | | | | 23.7 | 141.4 | 116.8 | -82.7 | -94.7 | 0 | 0 | 0 | 117.5 | | |
| 702 | T | 26.1 | Very low | 27.9 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | 67.5 | 134.5 | 168.5 | 24.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 703 | Q | 27.5 | Very low | 27.9 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | cis | -133.2 | 150.1 | 13.4 | -65.9 | -170.3 | 2.8 | 0 | 0 | 113.5 | | |
| 704 | L | 26.2 | Very low | 27.9 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 69% | 0.686 | 73% | 0.729 | S | S | * | * | | | | 26.2 | 123.9 | 127 | -45.9 | 165.7 | 0 | 0 | 0 | 116 | | |
| 705 | N | 30.9 | Very low | 27.9 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 65% | 0.647 | 73% | 0.733 | S | S | * | * | | | | -173.6 | 151.8 | 69 | -94.2 | -66.3 | 0 | 0 | 0 | 112.5 | | |
| 706 | N | 27.1 | Very low | 28 | Very low | 134 Ų | 134 | 137 Ų | 137 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | | | trans | 48.2 | 130.1 | 135.7 | -55.5 | -21.4 | 0 | 0 | 0 | 119.7 | | |
| 707 | T | 30.9 | Very low | 28 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | cis | -163.2 | 161.4 | 33.3 | -12.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 708 | K | 32.2 | Very low | 28.1 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | | | trans | 70 | 82.1 | 150.4 | -72.8 | 165.4 | -176.2 | -179.7 | 0 | 118.7 | | |
| 709 | T | 27.3 | Very low | 28.3 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | | | | -3.1 | 153.8 | 105.3 | 36.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 710 | P | 31.6 | Very low | 28.4 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | | | cis | -147.3 | 165.4 | 43 | 42.5 | -23.1 | 0 | 0 | 0 | 120.2 | | |
| 711 | N | 27.4 | Very low | 28.3 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 66% | 0.658 | 73% | 0.73 | S | S | * | * | | | trans | 28 | 130.2 | 138.9 | -51.6 | -7.2 | 0 | 0 | 0 | 121 | | |
| 712 | L | 31.9 | Very low | 28.6 | Very low | 150 Ų | 150 | 133 Ų | 133 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | | | | -169.2 | 113 | 95.5 | -92 | 152.8 | 0 | 0 | 0 | 106.8 | F714 | L712-F714 HydrophobicContact CD2-CD2 4.47Å; L712-F714 HydrophobicContact CD2-CE2 4.35Å |
| 713 | N | 26.6 | Very low | 28.5 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | | | | 41.8 | 111.1 | 67.1 | -77.7 | 11.8 | 0 | 0 | 0 | 113.4 | | |
| 714 | F | 28.9 | Very low | 28.5 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 72% | 0.719 | 73% | 0.728 | S | S | * | * | | | | -143.5 | 137.3 | 94.7 | -100.5 | -92.9 | 0 | 0 | 0 | 106.9 | L712 | L712-F714 HydrophobicContact CD2-CD2 4.47Å; L712-F714 HydrophobicContact CD2-CE2 4.35Å |
| 715 | E | 27.4 | Very low | 28.4 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | | | | 39.1 | 132.1 | 104.6 | -47 | -170.8 | 163.7 | 0 | 0 | 113.7 | | |
| 716 | A | 27.3 | Very low | 28.2 | Very low | 84 Ų | 84 | 127.1 Ų | 127.1 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | | | | 177.9 | 161 | 58.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 717 | L | 27.8 | Very low | 28.2 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | | | cis | -163.1 | 156.1 | 3.6 | -112.6 | 164.5 | 0 | 0 | 0 | 107.9 | | |
| 718 | K | 27.7 | Very low | 28 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | | | trans | 29.5 | 127.7 | 139.3 | -80.4 | 179.9 | -151.3 | 160.4 | 0 | 118.6 | | |
| 719 | L | 28.6 | Very low | 27.8 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | | | cis | -177.3 | 169.1 | 38.2 | -88.7 | 142 | 0 | 0 | 0 | 106.7 | | |
| 720 | S | 29.6 | Very low | 27.9 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | | | cis | -164.8 | 139.7 | -9.9 | 41.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 721 | S | 25.8 | Very low | 27.9 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | | | trans | -83.4 | -173.5 | 156.8 | 55.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 722 | P | 31.5 | Very low | 28.1 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | | | cis | -110.7 | -136.2 | -9.5 | 32.2 | -9.2 | 0 | 0 | 0 | 109.7 | | |
| 723 | S | 25.1 | Very low | 28.3 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | | | cis | -161.6 | 139.7 | 4 | 17.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 724 | V | 26.6 | Very low | 28.4 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | | | | 65 | 102.6 | 70.1 | -179.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 725 | S | 24.7 | Very low | 28.4 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | | | trans | 179.5 | 126.3 | 140.2 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 726 | S | 25.8 | Very low | 28.6 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | | | | 68.4 | 133.1 | 53.4 | 104.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 727 | K | 28.5 | Very low | 28.9 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | | | cis | -137.3 | -167.3 | 7.1 | -70 | 106.5 | 178.9 | 156.9 | 0 | 109.1 | | |
| 728 | F | 25.9 | Very low | 29.1 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 72% | 0.715 | 71% | 0.706 | S | S | * | * | | | cis | -177.1 | 144.2 | 42.2 | -111.6 | -41.1 | 0 | 0 | 0 | 115.2 | | |
| 729 | R | 28.8 | Very low | 29.2 | Very low | 187 Ų | 187 | 126.4 Ų | 126.4 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | | | trans | 66.1 | 149.5 | 137.8 | -85.5 | 174.3 | -172 | -120.7 | 12.1 | 120.6 | | |
| 730 | Q | 29.6 | Very low | 29.3 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | | | cis | -162 | 132.7 | -10.8 | -158.6 | 161.5 | -9.3 | 0 | 0 | 114.7 | | |
| 731 | G | 31.1 | Very low | 29.1 | Very low | 62 Ų | 62 | 126.4 Ų | 126.4 | 64% | 0.639 | 70% | 0.698 | S | S | * | * | | | trans | 71.8 | 176.6 | 146.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 732 | N | 31.1 | Very low | 29.1 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | | | cis | -168 | 126 | -21.4 | -122.7 | 21.6 | 0 | 0 | 0 | 111.4 | | |
| 733 | K | 35.3 | Very low | 28.8 | Very low | 205 Ų | 205 | 131.3 Ų | 131.3 | 89% | 0.891 | 70% | 0.698 | S | S | * | * | | | trans | 178.4 | 149.2 | 153.9 | -105.9 | 168 | -175.8 | -177.6 | 0 | 110.2 | | |
| 734 | I | 28.8 | Very low | 28.8 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 58% | 0.579 | 70% | 0.698 | S | S | * | * | | | cis | 166.9 | 117.1 | -49.8 | -89.6 | 167.2 | 0 | 0 | 0 | 106.2 | | |
| 735 | Q | 29.9 | Very low | 28.5 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | | | trans | 61.5 | 151.8 | 156.5 | -65.3 | -177 | -92.9 | 0 | 0 | 118.3 | | |
| 736 | D | 32.3 | Very low | 28.5 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 61% | 0.61 | 70% | 0.697 | S | S | * | * | | | cis | -168.4 | 167.9 | -8.1 | -107.5 | -1.6 | 0 | 0 | 0 | 107.3 | | |
| 737 | N | 33 | Very low | 29 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 66% | 0.658 | 71% | 0.708 | S | S | * | * | | | cis | -153.4 | -160.9 | -5.1 | -135.5 | -48.5 | 0 | 0 | 0 | 106.1 | | |
| 738 | S | 31.7 | Very low | 28.7 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | | | cis | -170.6 | 162.3 | -8.3 | 44.1 | 0 | 0 | 0 | 0 | 106 | | |
| 739 | T | 29.9 | Very low | 28.7 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 61% | 0.613 | 71% | 0.708 | S | S | * | * | | | cis | -163.9 | 151 | -14.7 | 21.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 740 | E | 29.5 | Very low | 28.5 | Very low | 179 Ų | 179 | 130.7 Ų | 130.7 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | | | trans | 59.7 | 162.3 | 143.9 | -66.6 | 170.5 | 146.2 | 0 | 0 | 120.8 | | |
| 741 | A | 26.6 | Very low | 28.2 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 61% | 0.612 | 70% | 0.703 | S | S | * | * | | | cis | -164.4 | 156.1 | -31.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 742 | Q | 25.7 | Very low | 27.9 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | | | trans | 61 | 130.4 | 143.2 | -76.1 | -177.1 | 63.5 | 0 | 0 | 123.4 | | |
| 743 | Q | 25.7 | Very low | 27.6 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | | | trans | 80 | 136.5 | 138.4 | -69.7 | -173.6 | 62.3 | 0 | 0 | 123.2 | | |
| 744 | A | 23.4 | Very low | 27.1 | Very low | 80 Ų | 80 | 126.8 Ų | 126.8 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | | | trans | 85.8 | 111.2 | 135 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 745 | I | 22.1 | Very low | 27 | Very low | 161 Ų | 161 | 127 Ų | 127 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | | | | 50.6 | 145.1 | 128.7 | -29.7 | 176.3 | 0 | 0 | 0 | 121.7 | | |
| 746 | V | 23.6 | Very low | 26.9 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 67% | 0.673 | 69% | 0.692 | S | S | * | * | | | trans | 95.1 | 123.9 | 157.9 | -169.7 | 0 | 0 | 0 | 0 | 117.6 | L748 | V746-L748 HydrophobicContact CG1-CD1 3.83Š|
| 747 | P | 35.9 | Very low | 26.7 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 79% | 0.792 | 70% | 0.697 | S | S | * | * | | | trans | -110.5 | 128.1 | 162.8 | 36.2 | -25.7 | 0 | 0 | 0 | 113.7 | | |
| 748 | L | 23.3 | Very low | 26.7 | Very low | 135 Ų | 135 | 127 Ų | 127 | 71% | 0.707 | 70% | 0.7 | S | S | * | * | | | trans | -137.8 | 140.7 | 152.9 | -79.6 | 102.2 | 0 | 0 | 0 | 106.3 | V746 | V746-L748 HydrophobicContact CG1-CD1 3.83Š|
| 749 | K | 25.6 | Very low | 26.6 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 70% | 0.704 | 70% | 0.703 | S | S | * | * | | | cis | 73.4 | 132.5 | 43.5 | -156.4 | -151.2 | 178.2 | -151.3 | 0 | 111.2 | | |
| 750 | E | 23.7 | Very low | 26.7 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | | | trans | 68.9 | 151.1 | 177.6 | -66.5 | 161.3 | -147.1 | 0 | 0 | 113.4 | | |
| 751 | T | 24.6 | Very low | 26.8 | Very low | 107 Ų | 107 | 128 Ų | 128 | 66% | 0.656 | 71% | 0.709 | S | S | * | * | | | cis | -160.6 | 145.2 | -8.5 | 9.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 752 | T | 23.9 | Very low | 27 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | | | trans | 59.9 | -171.5 | 134.3 | -47.9 | 0 | 0 | 0 | 0 | 118.7 | | |
| 753 | L | 25 | Very low | 27.4 | Very low | 139 Ų | 139 | 128 Ų | 128 | 73% | 0.728 | 71% | 0.712 | S | S | * | * | | | trans | 79 | 95.5 | 172.3 | -55.4 | 176.9 | 0 | 0 | 0 | 113.8 | | |
| 754 | T | 24.8 | Very low | 27.7 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 63% | 0.632 | 70% | 0.698 | S | S | * | * | | | | 72.9 | 149.1 | 80.7 | 63.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 755 | T | 27.7 | Very low | 28.2 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | | | cis | -153.2 | 171.4 | 40.8 | 52.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 756 | D | 26.6 | Very low | 28.6 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 51% | 0.513 | 70% | 0.696 | S | S | . | * | | | cis | -171.9 | 172.8 | -27.9 | -83.1 | -25 | 0 | 0 | 0 | 107.1 | | |
| 757 | F | 27.3 | Very low | 29 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 72% | 0.719 | 70% | 0.695 | S | S | * | * | | | trans | 66.4 | 142 | 161.4 | -53.6 | -59.1 | 0 | 0 | 0 | 118.3 | | |
| 758 | D | 33.5 | Very low | 28.7 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | | | cis | -128.8 | 148.8 | -0.3 | -84.2 | -52.9 | 0 | 0 | 0 | 109.4 | | |
| 759 | N | 29.4 | Very low | 29 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | | | cis | 80.1 | 139.8 | 49.1 | -66.6 | -32.4 | 0 | 0 | 0 | 115.2 | | |
| 760 | G | 32.3 | Very low | 29.1 | Very low | 63 Ų | 63 | 127.8 Ų | 127.8 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | | | trans | 99.2 | 98.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 761 | E | 31.6 | Very low | 29.4 | Very low | 198 Ų | 198 | 129.4 Ų | 129.4 | 93% | 0.925 | 71% | 0.705 | S | S | * | * | | | | 56.3 | 127.2 | 63.3 | -50.7 | -175.8 | 144.8 | 0 | 0 | 111 | | |
| 762 | S | 31 | Very low | 29.6 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | | | cis | -158.8 | -172.1 | 11.5 | 60.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 763 | D | 34.2 | Very low | 29.9 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 71% | 0.708 | S | S | * | * | | | cis | -159.4 | 151.2 | 8.5 | -135.9 | 3.3 | 0 | 0 | 0 | 112.5 | | |
| 764 | N | 32.5 | Very low | 30.3 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 49% | 0.492 | 71% | 0.705 | S | S | . | * | | | trans | 25 | 118.9 | 150 | -53.4 | -37.9 | 0 | 0 | 0 | 122.7 | Y766 | N764-Y766 HydrophobicContact CB-CD2 4.29Å; N764-Y766 HydrophobicContact CB-CE2 4.47Å; N764-Y766 WeakPolarHBondContact OD1-CE2 3.18Å |
| 765 | N | 34.7 | Very low | 30.4 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | | | | -168.1 | 121.8 | 92.5 | -86.9 | -46.2 | 0 | 0 | 0 | 109.5 | | |
| 766 | Y | 29.9 | Very low | 30.5 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 66% | 0.655 | 70% | 0.7 | S | S | * | * | | | | 68.6 | 130.5 | 69.7 | -80.2 | -113.8 | 0 | 0 | 0 | 113 | N764 | N764-Y766 HydrophobicContact CB-CD2 4.29Å; N764-Y766 HydrophobicContact CB-CE2 4.47Å; N764-Y766 WeakPolarHBondContact OD1-CE2 3.18Å |
| 767 | E | 32.1 | Very low | 30.8 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | | | cis | -161.2 | 165.8 | -5.5 | -136.8 | -168.3 | 152.4 | 0 | 0 | 114.3 | | |
| 768 | N | 30 | Very low | 30.9 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 59% | 0.588 | 70% | 0.703 | S | S | * | * | | | trans | 23.2 | 136.3 | 145 | -84.3 | -31.7 | 0 | 0 | 0 | 124.6 | | |
| 769 | L | 29.5 | Very low | 30.8 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 82% | 0.817 | 70% | 0.698 | S | S | * | * | | | | 45.8 | 136.4 | 127.3 | -57.5 | 166.9 | 0 | 0 | 0 | 121.5 | | |
| 770 | S | 27.8 | Very low | 30.7 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | | | trans | -138.1 | 97.2 | 154.4 | 46.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 771 | E | 30 | Very low | 30.4 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | | | trans | -102.3 | 123 | 158.6 | -102.9 | -166.2 | 146.1 | 0 | 0 | 108.2 | | |
| 772 | Y | 28.3 | Very low | 30.2 | Very low | 196 Ų | 196 | 137.2 Ų | 137.2 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | | | trans | 62.7 | 155 | 176.1 | -66.7 | -111.6 | 0 | 0 | 0 | 113.8 | | |
| 773 | E | 30.9 | Very low | 30.2 | Very low | 150 Ų | 150 | 138 Ų | 138 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | | | cis | -142.7 | -174.6 | 3.4 | -149.2 | 161.3 | -138 | 0 | 0 | 112.2 | | |
| 774 | H | 32.4 | Very low | 29.9 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | | | trans | -12.9 | 151.3 | 156 | -67.7 | -12.8 | 0 | 0 | 0 | 119.4 | | |
| 775 | Q | 28 | Very low | 29.8 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 53% | 0.528 | 71% | 0.706 | S | S | . | * | | | cis | -167.5 | 174.9 | 0.6 | -115.2 | 171.6 | 52 | 0 | 0 | 108.3 | | |
| 776 | R | 27.8 | Very low | 29.5 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | | | trans | 39.4 | 137.4 | 143.8 | -67 | -179.4 | -162.3 | 169 | 9.8 | 119.8 | | |
| 777 | D | 33.4 | Very low | 29.5 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | | | cis | -144.7 | 140.9 | 25.3 | -97.6 | -44.1 | 0 | 0 | 0 | 108.9 | | |
| 778 | N | 30.3 | Very low | 29.5 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 67% | 0.674 | 71% | 0.709 | S | S | * | * | | | | 58.6 | 149.9 | 85.8 | -73.9 | -47.6 | 0 | 0 | 0 | 115.4 | | |
| 779 | N | 30.4 | Very low | 29.4 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 60% | 0.604 | 72% | 0.716 | S | S | * | * | | | trans | 75.9 | 143.9 | 161 | -55.3 | -26.2 | 0 | 0 | 0 | 117.6 | | |
| 780 | Y | 27.6 | Very low | 29.6 | Very low | 192 Ų | 192 | 132.8 Ų | 132.8 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | | | cis | -148.2 | 147.2 | -14.2 | -114.9 | -42 | 0 | 0 | 0 | 112.7 | | |
| 781 | T | 26.9 | Very low | 29.7 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | | | trans | -5 | 162.4 | 150.8 | 50.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 782 | A | 27.3 | Very low | 29.8 | Very low | 85 Ų | 85 | 130 Ų | 130 | 70% | 0.702 | 71% | 0.706 | S | S | * | * | | | trans | 109.1 | 145.1 | 140.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 783 | T | 29.5 | Very low | 29.8 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | | | cis | -147 | 141.4 | 5.6 | -20.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 784 | T | 28.3 | Very low | 29.5 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | | | trans | 24.2 | 140.1 | 146.9 | 63.5 | 0 | 0 | 0 | 0 | 120 | | |
| 785 | K | 31.8 | Very low | 29.4 | Very low | 182 Ų | 182 | 123.2 Ų | 123.2 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | | | | -163.6 | 140.1 | 65.2 | -88.4 | -176.5 | -178.1 | 175.5 | 0 | 114 | | |
| 786 | S | 28.3 | Very low | 29.3 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | | | trans | 33.2 | 140.8 | 140.5 | 60.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 787 | S | 29.9 | Very low | 29.3 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | cis | -171.2 | 171 | 7.5 | 37.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 788 | S | 32.2 | Very low | 29.3 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | trans | 58.2 | 110.4 | 162.9 | 43.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 789 | S | 27.9 | Very low | 29.4 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | | | cis | 60 | 129.9 | 37 | -139 | 0 | 0 | 0 | 0 | 111.9 | | |
| 790 | P | 32.2 | Very low | 29.3 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | | | cis | -128.2 | 135.7 | 43.1 | 35.1 | -18.3 | 0 | 0 | 0 | 117.9 | | |
| 791 | V | 30.9 | Very low | 29.5 | Very low | 131 Ų | 131 | 119.9 Ų | 119.9 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | | | trans | -78.3 | 141.9 | 138.6 | 170.3 | 0 | 0 | 0 | 0 | 105.6 | | |
| 792 | P | 31.1 | Very low | 29.7 | Very low | 103 Ų | 103 | 121.3 Ų | 121.3 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | | | | -162.7 | -178 | 91.5 | 45.5 | -24.3 | 0 | 0 | 0 | 119 | | |
| 793 | S | 28.6 | Very low | 29.6 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | | | trans | 70.8 | 135.6 | 149.5 | -62.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 794 | S | 25 | Very low | 29.7 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | | | cis | 70.8 | 89.3 | 10.4 | 95.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 795 | L | 29.6 | Very low | 29.6 | Very low | 145 Ų | 145 | 126.6 Ų | 126.6 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | | | trans | -170.8 | 125.7 | 143.8 | -113.2 | 60.9 | 0 | 0 | 0 | 102.4 | | |
| 796 | L | 25.8 | Very low | 29.4 | Very low | 150 Ų | 150 | 124 Ų | 124 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | | 69.3 | 161.3 | 75.2 | -74.4 | 170.3 | 0 | 0 | 0 | 113.8 | | |
| 797 | D | 27.9 | Very low | 29.3 | Very low | 137 Ų | 137 | 123 Ų | 123 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | | | trans | 71.9 | 140.3 | 179.7 | -47 | -26.9 | 0 | 0 | 0 | 114.2 | | |
| 798 | T | 33.3 | Very low | 29.3 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | | | cis | -141.7 | 143.7 | 5.1 | -11.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 799 | E | 32.5 | Very low | 29 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | | | trans | 40.4 | 117 | 132.1 | -70.3 | 167.9 | -173.8 | 0 | 0 | 119.3 | | |
| 800 | E | 29.3 | Very low | 29 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | | | | 104.4 | 161 | 96 | -87.6 | -152.1 | -175 | 0 | 0 | 111.8 | | |
| 801 | S | 31.8 | Very low | 28.8 | Very low | 66 Ų | 66 | 125.8 Ų | 125.8 | 46% | 0.462 | 73% | 0.726 | S | S | . | * | | | cis | -150.5 | 161.8 | -7.2 | -125.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 802 | Q | 31.2 | Very low | 28.7 | Very low | 147 Ų | 147 | 125 Ų | 125 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | | | trans | 36.8 | 107.4 | 138.1 | -60.6 | 169.2 | 55.6 | 0 | 0 | 118.7 | | |
| 803 | S | 25.4 | Very low | 28.6 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | | | | 87.1 | -178.2 | 71.7 | 80.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 804 | Y | 30.3 | Very low | 28.4 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | | | trans | 69.3 | 119.6 | -165.5 | -57.7 | -88.2 | 0 | 0 | 0 | 114.3 | | |
| 805 | N | 26.8 | Very low | 28.5 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | cis | 80 | 150.5 | 40.2 | -65.4 | -28 | 0 | 0 | 0 | 114.8 | | |
| 806 | T | 28.8 | Very low | 28.4 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | | | trans | 77.5 | 100.1 | -176.1 | -37.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 807 | A | 25.5 | Very low | 28.5 | Very low | 87 Ų | 87 | 129.6 Ų | 129.6 | 72% | 0.719 | 72% | 0.715 | S | S | * | * | | | cis | 72.4 | 110.6 | 46.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 808 | I | 28.7 | Very low | 28.4 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | | | trans | 179.9 | 110.9 | 163.1 | -94.6 | 148 | 0 | 0 | 0 | 102.3 | | |
| 809 | S | 25.9 | Very low | 28.1 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | | | | 69.1 | 89 | 58.4 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 810 | T | 27.9 | Very low | 27.7 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | | | | 150 | 152.9 | 120.8 | 55 | 0 | 0 | 0 | 0 | 110.5 | | |
| 811 | A | 29.5 | Very low | 27.5 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | | | cis | -144 | 171.2 | 0.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 812 | T | 28 | Very low | 27 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | trans | -22.7 | 149.1 | 156.2 | 57 | 0 | 0 | 0 | 0 | 116.5 | | |
| 813 | R | 28.8 | Very low | 26.8 | Very low | 216 Ų | 216 | 131.9 Ų | 131.9 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | | | cis | -135.4 | 140 | 34.4 | -90.4 | 178.4 | 176.5 | 171.5 | -3.8 | 110.4 | | |
| 814 | S | 24.5 | Very low | 26.7 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 56% | 0.559 | 75% | 0.75 | S | S | * | * | | | cis | 65.6 | 107 | 27.8 | -42.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 815 | F | 28 | Very low | 26.5 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | 159 | 112.1 | 145.8 | -82.6 | -49.3 | 0 | 0 | 0 | 106.5 | | |
| 816 | S | 26.1 | Very low | 26.4 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | | | cis | 57.2 | 129.2 | 30.3 | -33.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 817 | D | 27.6 | Very low | 26.2 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | | | cis | -163.4 | -162.3 | 19.4 | -137.4 | -42 | 0 | 0 | 0 | 109.2 | | |
| 818 | M | 26.4 | Very low | 26.2 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 86% | 0.862 | 74% | 0.742 | S | S | * | * | | | trans | 24.8 | 122.8 | 138.7 | -57.3 | -88.7 | -89.3 | 0 | 0 | 117.6 | | |
| 819 | G | 27.4 | Very low | 26.1 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | | | cis | 153.7 | -169.4 | 18.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q821 | G819-Q821 PolarHBondContact O-N 3.07Š|
| 820 | T | 23.2 | Very low | 26.1 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 86% | 0.859 | 72% | 0.724 | S | S | * | * | | | trans | -68.9 | 121 | -178.5 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 821 | Q | 25.3 | Very low | 26.1 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | | | trans | -149.2 | 115.7 | 149 | -139 | 153.7 | 100.6 | 0 | 0 | 112.9 | G819 | G819-Q821 PolarHBondContact O-N 3.07Š|
| 822 | T | 22.3 | Very low | 26.1 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | | | trans | -67 | 133.9 | 168.5 | -45.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 823 | I | 26 | Very low | 26.2 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | | | trans | -150.3 | 125.3 | 156.4 | -92.9 | 128.5 | 0 | 0 | 0 | 107.3 | Y825 | I823-Y825 HydrophobicContact CG2-CD2 4.29Š|
| 824 | N | 23.1 | Very low | 26.4 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 65% | 0.652 | 72% | 0.715 | S | S | * | * | | | trans | -71.7 | 141 | 161.6 | -62.9 | -22.8 | 0 | 0 | 0 | 107.8 | | |
| 825 | Y | 26.3 | Very low | 26.7 | Very low | 214 Ų | 214 | 136.1 Ų | 136.1 | 84% | 0.839 | 72% | 0.722 | S | S | * | * | | | | -157.6 | 113.9 | 125.5 | -80.2 | -59.6 | 0 | 0 | 0 | 105.8 | I823 | I823-Y825 HydrophobicContact CG2-CD2 4.29Š|
| 826 | D | 25.2 | Very low | 26.7 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 65% | 0.647 | 73% | 0.726 | S | S | * | * | | | | 54.7 | 98.6 | 65.4 | -91.7 | -29.5 | 0 | 0 | 0 | 114.3 | | |
| 827 | I | 24.7 | Very low | 27 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | trans | 65.9 | 157.6 | 147.3 | -28.1 | 163.1 | 0 | 0 | 0 | 117 | | |
| 828 | F | 25.2 | Very low | 27.1 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 73% | 0.732 | 73% | 0.73 | S | S | * | * | | | trans | 73.6 | 141.7 | 158.3 | -60.2 | -57.6 | 0 | 0 | 0 | 119 | | |
| 829 | D | 27.5 | Very low | 27.1 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | | | cis | -165.1 | 157.1 | -28.5 | -152.2 | -5.1 | 0 | 0 | 0 | 111.9 | | |
| 830 | S | 25.1 | Very low | 27.2 | Very low | 65 Ų | 65 | 140 Ų | 140 | 46% | 0.455 | 73% | 0.727 | S | S | . | * | | | trans | 63.3 | 170.4 | 139.4 | 70 | 0 | 0 | 0 | 0 | 122 | | |
| 831 | Y | 27.3 | Very low | 27.5 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 70% | 0.702 | 72% | 0.718 | S | S | * | * | | | trans | 67.9 | 129.4 | 172.9 | -51.6 | -64.4 | 0 | 0 | 0 | 116.9 | | |
| 832 | N | 31.3 | Very low | 27.7 | Very low | 129 Ų | 129 | 136 Ų | 136 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | | | cis | -130.4 | 130.6 | -5.8 | -91.8 | -45.4 | 0 | 0 | 0 | 108.1 | | |
| 833 | K | 28.6 | Very low | 28 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 67% | 0.67 | 72% | 0.722 | S | S | * | * | | | | 72.3 | 141.5 | 68.8 | -74.5 | -165.7 | 178.5 | -178.2 | 0 | 114 | | |
| 834 | N | 32.6 | Very low | 28.2 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 87% | 0.866 | 73% | 0.729 | S | S | * | * | | | trans | 76 | 128.7 | 175.6 | -46.9 | -17.9 | 0 | 0 | 0 | 113.9 | | |
| 835 | G | 31.2 | Very low | 28.4 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | cis | -171.4 | 167.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 836 | D | 28.1 | Very low | 28.6 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | | | trans | -72.8 | -167.6 | -178 | -52.5 | -95.2 | 0 | 0 | 0 | 114.1 | | |
| 837 | I | 33.2 | Very low | 28.7 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | trans | 105.3 | 83.6 | 160.9 | -51.6 | 160.6 | 0 | 0 | 0 | 115.3 | | |
| 838 | N | 28.6 | Very low | 28.9 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | | 40.5 | 133.6 | 114.3 | -53.9 | -29 | 0 | 0 | 0 | 121.6 | | |
| 839 | N | 26.8 | Very low | 28.9 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | trans | 74.5 | 149.1 | 141.5 | -66.7 | -19 | 0 | 0 | 0 | 120.4 | | |
| 840 | I | 30.7 | Very low | 28.9 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 82% | 0.821 | 75% | 0.754 | S | S | * | * | | | trans | 66.4 | 127.7 | 174.2 | -48.1 | 117.8 | 0 | 0 | 0 | 112.8 | | |
| 841 | G | 27.9 | Very low | 28.9 | Very low | 64 Ų | 64 | 135.9 Ų | 135.9 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | | | cis | 120.3 | 158.4 | 6.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 842 | L | 30.9 | Very low | 29 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | | | trans | 80 | 143 | -177.9 | -54.3 | 171.3 | 0 | 0 | 0 | 116.8 | | |
| 843 | D | 27.4 | Very low | 28.9 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | | | trans | -78.3 | 148.2 | -177.1 | -44.4 | -97.6 | 0 | 0 | 0 | 113.2 | | |
| 844 | A | 30.9 | Very low | 29 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | | -177.5 | 142.4 | 128.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 845 | S | 26.2 | Very low | 28.9 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | | | trans | -86.6 | 144.8 | 159.7 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 846 | P | 32.3 | Very low | 28.8 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | | -148 | -179.3 | 105.9 | 39 | -22.5 | 0 | 0 | 0 | 116.2 | | |
| 847 | N | 26.5 | Very low | 29 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | trans | -67.3 | -175.2 | 176.2 | -82.7 | -49.8 | 0 | 0 | 0 | 115.5 | | |
| 848 | S | 28.5 | Very low | 28.7 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | 88 | 109.5 | 173.5 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 849 | Q | 26.5 | Very low | 28.8 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | | 79.4 | 143.2 | 72 | -80.8 | -167.2 | 11.4 | 0 | 0 | 112.6 | | |
| 850 | L | 26.6 | Very low | 28.8 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | trans | 67.4 | 149.3 | 172 | -56.3 | 156.9 | 0 | 0 | 0 | 112.8 | | |
| 851 | L | 25.6 | Very low | 28.7 | Very low | 131 Ų | 131 | 136 Ų | 136 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | | | cis | -174.9 | 165.9 | -26.2 | -126.1 | -174.6 | 0 | 0 | 0 | 105.4 | | |
| 852 | L | 28 | Very low | 28.6 | Very low | 138 Ų | 138 | 143 Ų | 143 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | | | trans | 66.6 | 164.3 | 161.8 | -56.7 | 153.5 | 0 | 0 | 0 | 114.3 | | |
| 853 | N | 29.1 | Very low | 28.4 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | cis | -153.1 | 168.8 | -6.9 | -128.5 | -9.1 | 0 | 0 | 0 | 111.4 | | |
| 854 | G | 32.5 | Very low | 28.4 | Very low | 58 Ų | 58 | 136.9 Ų | 136.9 | 60% | 0.598 | 75% | 0.751 | S | S | * | * | | | trans | 115.6 | 89.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 855 | N | 29.2 | Very low | 28.4 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | | | | 58.9 | 115.3 | 71.8 | -48.9 | 1.5 | 0 | 0 | 0 | 109.7 | | |
| 856 | Y | 29.2 | Very low | 28.5 | Very low | 212 Ų | 212 | 141.1 Ų | 141.1 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | | | | -166.8 | 157.3 | 57.1 | -89 | -85.5 | 0 | 0 | 0 | 108.9 | | |
| 857 | T | 31.7 | Very low | 28.3 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | | | cis | -144.7 | 161.3 | -6.3 | -35.6 | 0 | 0 | 0 | 0 | 108 | | |
| 858 | E | 28.4 | Very low | 28.4 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | -72.6 | 153.9 | 163.9 | -61.4 | 176.3 | 103.7 | 0 | 0 | 111.9 | | |
| 859 | D | 29.7 | Very low | 28.5 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | | | trans | -145.4 | 96.9 | 147.2 | -132.4 | -24.4 | 0 | 0 | 0 | 108.8 | | |
| 860 | S | 26.8 | Very low | 28.6 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | | | trans | -91.5 | 125.6 | 178.3 | -78.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 861 | Y | 28.4 | Very low | 28.9 | Very low | 227 Ų | 227 | 138.1 Ų | 138.1 | 89% | 0.89 | 73% | 0.73 | S | S | * | * | | | trans | -118.3 | 133.3 | 160.8 | -95.4 | -86.8 | 0 | 0 | 0 | 112.7 | | |
| 862 | R | 26.2 | Very low | 28.9 | Very low | 212 Ų | 212 | 136 Ų | 136 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | | | trans | -137.5 | 106.3 | -161.2 | 172.9 | -171.9 | -178.9 | -108.7 | 7.4 | 109.5 | | |
| 863 | C | 27.6 | Very low | 29 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | | | trans | -137.9 | 120.1 | 155.1 | -74.8 | 0 | 0 | 0 | 0 | 104.7 | | |
| 864 | S | 26.7 | Very low | 28.9 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 50% | 0.503 | 73% | 0.729 | S | S | . | * | | | cis | 57.6 | 93.5 | 37.4 | -52.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 865 | D | 31.6 | Very low | 28.8 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | | | trans | 175.5 | 157 | 130.2 | -88.1 | -8.1 | 0 | 0 | 0 | 109.2 | | |
| 866 | Q | 27.5 | Very low | 28.7 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | cis | -173.3 | 165 | -34.3 | -117.7 | -173.6 | 85.1 | 0 | 0 | 105.1 | | |
| 867 | S | 28.5 | Very low | 29 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | | | trans | 61.8 | 157.5 | -179.5 | 75.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 868 | S | 29.2 | Very low | 28.7 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | | | cis | -154.4 | 165.9 | -28.9 | 59.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 869 | E | 30.4 | Very low | 28.7 | Very low | 151 Ų | 151 | 139 Ų | 139 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | | | cis | -159.7 | 160.5 | 13.7 | -135.2 | 143.3 | 165.7 | 0 | 0 | 110.7 | | |
| 870 | M | 29 | Very low | 28.7 | Very low | 144 Ų | 144 | 139 Ų | 139 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | | | trans | 2.4 | 144.3 | 142 | -76.6 | 127.6 | 59.4 | 0 | 0 | 119.7 | | |
| 871 | N | 31.1 | Very low | 28.7 | Very low | 128 Ų | 128 | 141 Ų | 141 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | | | cis | -147.1 | 146 | 13.5 | -73.5 | -57 | 0 | 0 | 0 | 107.8 | | |
| 872 | S | 25.5 | Very low | 28.8 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 61% | 0.608 | 72% | 0.715 | S | S | * | * | | | cis | 63.4 | 101.3 | 46.8 | 77.5 | 0 | 0 | 0 | 0 | 116 | | |
| 873 | Y | 30.3 | Very low | 28.8 | Very low | 210 Ų | 210 | 131.4 Ų | 131.4 | 82% | 0.824 | 71% | 0.707 | S | S | * | * | | | trans | -172.4 | 120.2 | 139 | -92.1 | -77.6 | 0 | 0 | 0 | 104.7 | | |
| 874 | H | 28.1 | Very low | 28.8 | Very low | 149 Ų | 149 | 130 Ų | 130 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | | | | 62.9 | 131.1 | 83.1 | -79.1 | -87 | 0 | 0 | 0 | 112.4 | | |
| 875 | D | 30.8 | Very low | 29.1 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | | | cis | -143 | 169.9 | 18.8 | -86 | -54.9 | 0 | 0 | 0 | 114.9 | | |
| 876 | S | 26.7 | Very low | 29 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | | | trans | -117.4 | -153.7 | 163.7 | -47.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 877 | P | 34.9 | Very low | 29 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 66% | 0.662 | 70% | 0.704 | S | S | * | * | | | cis | -130.7 | -159.4 | -31 | 28.6 | -4.4 | 0 | 0 | 0 | 111.4 | | |
| 878 | L | 26.6 | Very low | 29.4 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 69% | 0.686 | 69% | 0.694 | S | S | * | * | | | trans | 69.6 | 159.8 | 160.7 | -54.3 | 161.7 | 0 | 0 | 0 | 116.2 | | |
| 879 | Y | 27.6 | Very low | 29.5 | Very low | 174 Ų | 174 | 133 Ų | 133 | 68% | 0.682 | 70% | 0.699 | S | S | * | * | | | cis | -134.6 | 178.6 | -9.9 | -84.9 | -72.7 | 0 | 0 | 0 | 107 | | |
| 880 | H | 30.4 | Very low | 29.5 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | | | cis | -138.9 | 169.8 | 2.9 | -89 | -61.1 | 0 | 0 | 0 | 106.9 | | |
| 881 | Q | 26.9 | Very low | 29.5 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | | | cis | 92.5 | 132.1 | 21.5 | -156.1 | -168.4 | -13.6 | 0 | 0 | 115.6 | | |
| 882 | L | 28.6 | Very low | 29.2 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 78% | 0.775 | 70% | 0.696 | S | S | * | * | | | trans | 71 | 149.4 | 178 | -47 | -177.3 | 0 | 0 | 0 | 115.9 | | |
| 883 | S | 27.5 | Very low | 29.3 | Very low | 90 Ų | 90 | 133.8 Ų | 133.8 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | | | cis | -162 | 140.5 | -19.8 | -113 | 0 | 0 | 0 | 0 | 108.5 | | |
| 884 | S | 27.9 | Very low | 29.3 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | | | | 75.7 | 155.8 | 93.2 | -49.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 885 | D | 32.4 | Very low | 29.2 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 85% | 0.85 | 71% | 0.706 | S | S | * | * | | | trans | 71.3 | 151.5 | 166.2 | -64.5 | -6.3 | 0 | 0 | 0 | 118.8 | | |
| 886 | S | 28.8 | Very low | 29.1 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 63% | 0.629 | 71% | 0.705 | S | S | * | * | | | cis | -165.1 | 108.6 | -19.6 | 171.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 887 | S | 28.7 | Very low | 29.1 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | | | | 75.9 | -176.4 | 103.1 | 93.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 888 | H | 36.6 | Very low | 28.8 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 65% | 0.648 | 70% | 0.704 | S | S | * | * | | | trans | 80.7 | 115.7 | 177.8 | -67.3 | 25.5 | 0 | 0 | 0 | 115.1 | | |
| 889 | K | 31 | Very low | 28.8 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | | | | 77.3 | 135.4 | 72.6 | -78.6 | 174.9 | -176.1 | 170.4 | 0 | 111 | | |
| 890 | L | 30.7 | Very low | 28.8 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | | | cis | -160.2 | 170.3 | 20.8 | -108.4 | 150.9 | 0 | 0 | 0 | 111.3 | | |
| 891 | K | 29.4 | Very low | 28.6 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 78% | 0.778 | 70% | 0.704 | S | S | * | * | | | trans | 13.4 | 154.3 | 143.7 | -75.4 | 178.3 | -164 | 178.4 | 0 | 120.7 | | |
| 892 | S | 24.9 | Very low | 28.7 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 57% | 0.566 | 71% | 0.713 | S | S | * | * | | | cis | 152.1 | 149.1 | -12.4 | 59.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 893 | N | 27.3 | Very low | 28.7 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | | | trans | 78.5 | 159.6 | 156.3 | -58.2 | -6.2 | 0 | 0 | 0 | 120.7 | | |
| 894 | F | 29.2 | Very low | 28.7 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 80% | 0.803 | 71% | 0.705 | S | S | * | * | | | trans | 74.4 | 117.5 | 175.1 | -53.8 | -77.3 | 0 | 0 | 0 | 116 | | |
| 895 | H | 26.9 | Very low | 28.7 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 82% | 0.819 | 71% | 0.711 | S | S | * | * | | | cis | 80.5 | 151.2 | 39.5 | -85 | 1.1 | 0 | 0 | 0 | 115.8 | | |
| 896 | Q | 28.1 | Very low | 28.5 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | | | trans | 79.5 | 115 | 174.2 | -49.9 | -155.8 | -64 | 0 | 0 | 113 | | |
| 897 | H | 27.7 | Very low | 28.5 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | | | | 77.1 | 146.5 | 85.6 | -64 | -54.3 | 0 | 0 | 0 | 112 | | |
| 898 | Q | 27.2 | Very low | 28.3 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 69% | 0.687 | 72% | 0.717 | S | S | * | * | | | cis | -153.4 | -175 | 10 | -137.4 | 167.8 | -56 | 0 | 0 | 113.4 | | |
| 899 | E | 26.5 | Very low | 27.9 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | | | trans | -38.9 | 151 | 165.6 | -57.5 | 129.4 | 171.3 | 0 | 0 | 113.7 | | |
| 900 | S | 28.8 | Very low | 27.7 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | | | | 176.9 | 128.9 | 69.4 | 29.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 901 | S | 25.8 | Very low | 27.5 | Very low | 90 Ų | 90 | 144 Ų | 144 | 63% | 0.629 | 71% | 0.712 | S | S | * | * | | | | 87.8 | 148.8 | 64.7 | 80.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 902 | F | 29.2 | Very low | 27.6 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 83% | 0.833 | 70% | 0.701 | S | S | * | * | | | trans | 68 | 155.7 | 179.2 | -56.1 | -77.1 | 0 | 0 | 0 | 118.6 | | |
| 903 | N | 28.1 | Very low | 27.8 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | | | cis | -161.3 | 156.2 | -43.9 | -153.3 | -4.5 | 0 | 0 | 0 | 111.8 | | |
| 904 | T | 27.7 | Very low | 27.8 | Very low | 95 Ų | 95 | 143.8 Ų | 143.8 | 58% | 0.583 | 71% | 0.714 | S | S | * | * | | | trans | 55.8 | 128.3 | 152.8 | 39.6 | 0 | 0 | 0 | 0 | 122.8 | | |
| 905 | K | 28.4 | Very low | 27.6 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | | | trans | 80.5 | 114.3 | 130.8 | -72.1 | 169.5 | -176.2 | 168.6 | 0 | 120.5 | | |
| 906 | K | 28.6 | Very low | 27.8 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 80% | 0.8 | 71% | 0.713 | S | S | * | * | | | | 102.1 | 135.6 | 115.8 | -104.7 | -171.3 | 175.9 | -170.4 | 0 | 120 | | |
| 907 | L | 27.6 | Very low | 27.6 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | | | trans | 91 | 111.9 | 147.1 | -63.6 | 161.3 | 0 | 0 | 0 | 120.1 | | |
| 908 | F | 25.6 | Very low | 27.7 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 77% | 0.768 | 72% | 0.717 | S | S | * | * | | | | 77 | 116.3 | 123.6 | -84 | -135.9 | 0 | 0 | 0 | 121.7 | | |
| 909 | L | 26.9 | Very low | 27.9 | Very low | 140 Ų | 140 | 139 Ų | 139 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | | 55.6 | 107 | 121.7 | -88.6 | 167.2 | 0 | 0 | 0 | 120.3 | | |
| 910 | N | 27.3 | Very low | 27.9 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | | | | 125.7 | 145 | 97.7 | -156.9 | 25.6 | 0 | 0 | 0 | 117.7 | | |
| 911 | E | 27.4 | Very low | 27.9 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 61% | 0.607 | 74% | 0.741 | S | S | * | * | | | trans | 68.6 | 144 | 145.3 | -108 | 176.7 | -106.1 | 0 | 0 | 124 | | |
| 912 | N | 29.9 | Very low | 27.9 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 54% | 0.54 | 75% | 0.747 | S | S | . | * | | | trans | 71.4 | 141.6 | 150.1 | -62.8 | -35.1 | 0 | 0 | 0 | 118.7 | | |
| 913 | K | 28.6 | Very low | 27.9 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 73% | 0.726 | 74% | 0.744 | S | S | * | * | | | cis | -165.6 | -174.9 | -14.5 | -121.7 | 164.4 | -171.2 | 128.5 | 0 | 108.7 | | |
| 914 | C | 28.2 | Very low | 27.8 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | 76.8 | 103 | 159.6 | -64.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 915 | Q | 25.7 | Very low | 27.9 | Very low | 184 Ų | 184 | 153 Ų | 153 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | | | trans | -63.4 | -179.6 | 131 | -62.9 | -173.4 | -21 | 0 | 0 | 110.2 | | |
| 916 | P | 30 | Very low | 28 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | cis | -146.6 | -169.3 | 13.6 | 44.2 | -23.5 | 0 | 0 | 0 | 117.9 | | |
| 917 | A | 24.9 | Very low | 28.2 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | | | trans | 86.2 | 148.2 | 144.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 918 | P | 30.3 | Very low | 28.2 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | | | trans | -104 | 173.2 | -171.9 | 41.4 | -36 | 0 | 0 | 0 | 114 | | |
| 919 | K | 31.5 | Very low | 28.4 | Very low | 208 Ų | 208 | 144 Ų | 144 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | | | trans | -133.2 | 142.5 | 163.6 | -75.2 | -172.8 | 175.4 | -179.8 | 0 | 112.2 | | |
| 920 | Q | 25 | Very low | 28.7 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | | | trans | -97.1 | -166.9 | 165.8 | -63.1 | -178.1 | -9 | 0 | 0 | 109.7 | | |
| 921 | L | 28.6 | Very low | 28.7 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | | | trans | 90.1 | 112.5 | -176.9 | -54.1 | 168.3 | 0 | 0 | 0 | 112.2 | | |
| 922 | N | 25.9 | Very low | 28.7 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | cis | 88.6 | 161.1 | 32.1 | -160.8 | 23.7 | 0 | 0 | 0 | 113.3 | | |
| 923 | E | 29.6 | Very low | 28.7 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | trans | 77.8 | 119.5 | -163.2 | -50.6 | -170.6 | 155.7 | 0 | 0 | 112.1 | | |
| 924 | R | 26.4 | Very low | 28.6 | Very low | 228 Ų | 228 | 146.4 Ų | 146.4 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | cis | 69.5 | 118 | 44.1 | -70.7 | -169.8 | 164.4 | -167.3 | -3.3 | 114.2 | | |
| 925 | Q | 30.7 | Very low | 28.4 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | 165.9 | 149.5 | 149.5 | -92.7 | 173 | 67 | 0 | 0 | 106.1 | | |
| 926 | N | 30.5 | Very low | 28.5 | Very low | 116 Ų | 116 | 152.5 Ų | 152.5 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | | | cis | -158.9 | 172.7 | -0.9 | -126.5 | -20.8 | 0 | 0 | 0 | 112.1 | | |
| 927 | S | 31.6 | Very low | 28.2 | Very low | 101 Ų | 101 | 152.2 Ų | 152.2 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | 73 | 142.1 | 147.5 | 64.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 928 | L | 28.3 | Very low | 28.2 | Very low | 135 Ų | 135 | 153.2 Ų | 153.2 | 71% | 0.707 | 77% | 0.771 | S | S | * | * | | | cis | -169.4 | 148 | -23.6 | -128.7 | 62.6 | 0 | 0 | 0 | 109.5 | | |
| 929 | L | 30 | Very low | 28 | Very low | 131 Ų | 131 | 153.2 Ų | 153.2 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | | | trans | 67.3 | 160 | 150.9 | -57.9 | 173.3 | 0 | 0 | 0 | 119.7 | | |
| 930 | H | 32 | Very low | 27.7 | Very low | 149 Ų | 149 | 150 Ų | 150 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | | | cis | -143 | 174.8 | -2.3 | -125.2 | -46.2 | 0 | 0 | 0 | 113.1 | | |
| 931 | L | 27 | Very low | 27.8 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | | | trans | -57.5 | 169.8 | 178 | -54.7 | 161.1 | 0 | 0 | 0 | 113.9 | | |
| 932 | T | 28.9 | Very low | 27.6 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | | | cis | -160.6 | 151.1 | 19.4 | -23.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 933 | K | 29.5 | Very low | 27.5 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | | | trans | -0.9 | 136 | 155.3 | -59.3 | 169.7 | -178.9 | 177.4 | 0 | 120.9 | | |
| 934 | S | 26.1 | Very low | 27.4 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | | | | -152.5 | -179.9 | 114.4 | -158.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 935 | Y | 24.7 | Very low | 27.3 | Very low | 203 Ų | 203 | 136.6 Ų | 136.6 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | | | trans | -105.1 | 169.7 | -158.8 | -84 | -102.7 | 0 | 0 | 0 | 116.4 | | |
| 936 | R | 27.3 | Very low | 27.1 | Very low | 229 Ų | 229 | 139.9 Ų | 139.9 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | | | trans | 75.9 | 82.8 | 165.4 | -74.8 | -178.9 | 168.9 | 167.8 | -3.4 | 118.2 | | |
| 937 | S | 23.7 | Very low | 26.8 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | | 30.5 | 109.9 | 124.9 | 58.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 938 | P | 25.5 | Very low | 26.5 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | | -115.4 | 176.1 | 110.1 | 35.2 | -36.2 | 0 | 0 | 0 | 111.9 | | |
| 939 | T | 25.5 | Very low | 26.3 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | | | trans | 68 | 154.2 | -179.1 | 77.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 940 | L | 25.8 | Very low | 26.1 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | cis | -124.5 | 163.3 | 15.5 | -80.1 | 162.2 | 0 | 0 | 0 | 114.3 | S942 | L940-S942 PolarHBondContact O-N 3.28Å; L940-S942 PolarHBondContact O-OG 3.04Å |
| 941 | S | 26.8 | Very low | 25.8 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 92% | 0.923 | 76% | 0.764 | S | S | * | * | | | trans | -59.3 | 90.3 | 161.1 | -45.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 942 | S | 24.2 | Very low | 25.7 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | | | trans | -146.5 | 87.4 | -176.9 | 64.3 | 0 | 0 | 0 | 0 | 115.2 | L940 | L940-S942 PolarHBondContact O-N 3.28Å; L940-S942 PolarHBondContact O-OG 3.04Å |
| 943 | L | 24.6 | Very low | 25.6 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | | | trans | -134.2 | 136.1 | 136.7 | -78.7 | 101.3 | 0 | 0 | 0 | 108 | | |
| 944 | S | 26.4 | Very low | 25.3 | Very low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | | | cis | -154.1 | 121.2 | -12.7 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 945 | S | 24.1 | Very low | 25.4 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | trans | -53.2 | 132.1 | 154 | 50.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 946 | W | 26.4 | Very low | 25.4 | Very low | 235 Ų | 235 | 132.6 Ų | 132.6 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | | | trans | -161.9 | 115.7 | 134.4 | -75.1 | -33.5 | 0 | 0 | 0 | 105.8 | | |
| 947 | S | 24.4 | Very low | 25.6 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | | | cis | 64.5 | 124.3 | 48.7 | 86.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 948 | S | 24.8 | Very low | 25.7 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | | | trans | 77 | 119.3 | 155.4 | -140.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 949 | T | 25.1 | Very low | 25.9 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 64% | 0.638 | 76% | 0.762 | S | S | * | * | | | | 52.2 | 124.2 | 129.2 | 58.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 950 | H | 25 | Very low | 25.9 | Very low | 182 Ų | 182 | 128.7 Ų | 128.7 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | 56.8 | 144.9 | 131.4 | -64.5 | -70.1 | 0 | 0 | 0 | 122.2 | | |
| 951 | S | 26.1 | Very low | 25.9 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | 79.7 | 112.4 | 149.7 | -151 | 0 | 0 | 0 | 0 | 118.6 | | |
| 952 | L | 25.2 | Very low | 26.1 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | | | | 23.8 | 111.5 | 126.6 | -51.1 | 171.6 | 0 | 0 | 0 | 117.6 | | |
| 953 | C | 25.5 | Very low | 26.2 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 88% | 0.878 | 75% | 0.749 | S | S | * | * | | | | -159.3 | 145.7 | 120.2 | -136.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 954 | S | 24 | Very low | 26.5 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | | | trans | -97.9 | 123.9 | -179.6 | -49.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 955 | V | 28.7 | Very low | 26.6 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | | | trans | -142.7 | 114.6 | 160.8 | -173.5 | 0 | 0 | 0 | 0 | 106.2 | L957 | V955-L957 HydrophobicContact CG1-CG 4.27Š|
| 956 | N | 24.5 | Very low | 26.9 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | | | cis | 84 | 54.1 | 19 | -149.6 | 20.2 | 0 | 0 | 0 | 116.5 | | |
| 957 | L | 30.8 | Very low | 27.1 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | | | trans | -127.4 | 110.9 | 155.4 | -62.1 | 172.9 | 0 | 0 | 0 | 105.3 | V955 | V955-L957 HydrophobicContact CG1-CG 4.27Š|
| 958 | N | 25.3 | Very low | 27.4 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | | | cis | 70.9 | 117.7 | 23.2 | -146 | 12.6 | 0 | 0 | 0 | 113 | | |
| 959 | G | 30.3 | Very low | 27.5 | Very low | 70 Ų | 70 | 129 Ų | 129 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | | | trans | 139 | 52.4 | -158.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 960 | Q | 26.5 | Very low | 27.6 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | | | | 77.5 | 115.5 | 79.7 | -75.7 | -151.5 | 35.7 | 0 | 0 | 114.6 | | |
| 961 | R | 26.2 | Very low | 27.7 | Very low | 202 Ų | 202 | 129.2 Ų | 129.2 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | trans | 66.5 | 160.3 | 143.6 | -57.6 | 176.2 | -177.6 | -111.8 | 6.7 | 116.3 | | |
| 962 | E | 29.5 | Very low | 27.7 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | cis | -115.1 | 143.5 | 6.1 | -71.2 | 174.9 | 140.3 | 0 | 0 | 109.7 | | |
| 963 | S | 27.3 | Very low | 27.9 | Very low | 87 Ų | 87 | 129.7 Ų | 129.7 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | | | | 46.5 | 130.5 | 72.6 | 51.8 | 0 | 0 | 0 | 0 | 113 | | |
| 964 | V | 30.3 | Very low | 28 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | | | | -155.3 | 131.1 | 58.6 | 156.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 965 | E | 29.6 | Very low | 28.1 | Very low | 164 Ų | 164 | 131 Ų | 131 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | | | | 55 | 154.3 | 108.4 | -41.2 | -172.5 | 170.3 | 0 | 0 | 116.4 | | |
| 966 | N | 28.8 | Very low | 28 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 68% | 0.684 | 75% | 0.745 | S | S | * | * | | | cis | -159.1 | -177.4 | -4 | -126.7 | -34.1 | 0 | 0 | 0 | 106.9 | | |
| 967 | T | 32.2 | Very low | 28.2 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | cis | -157.7 | 138.8 | 4.8 | -13.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 968 | G | 28.8 | Very low | 28.1 | Very low | 78 Ų | 78 | 135.1 Ų | 135.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | 67.3 | 158.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 969 | S | 27.7 | Very low | 28 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | cis | -159.2 | 143.7 | -16.9 | 48.3 | 0 | 0 | 0 | 0 | 109 | | |
| 970 | D | 26.9 | Very low | 27.7 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | 36.8 | 124.5 | 160.5 | -48.3 | -40.2 | 0 | 0 | 0 | 119.5 | | |
| 971 | T | 28.5 | Very low | 27.7 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | | | cis | -155.6 | 174.7 | 43 | -47.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 972 | M | 26 | Very low | 27.9 | Very low | 178 Ų | 178 | 136 Ų | 136 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | | | trans | -70.6 | 161.2 | -169.5 | -100.4 | -162.9 | 71.3 | 0 | 0 | 116.9 | | |
| 973 | P | 29.2 | Very low | 27.8 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 60% | 0.597 | 76% | 0.764 | S | S | * | * | | | | -146.8 | -166.6 | -115 | 45 | -24.3 | 0 | 0 | 0 | 116.8 | | |
| 974 | V | 27.4 | Very low | 27.9 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | | | trans | 59.2 | 94.9 | 162.5 | -174.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 975 | N | 25.7 | Very low | 28 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | cis | 76.7 | 134.3 | 32.7 | -151.3 | -18.6 | 0 | 0 | 0 | 115.1 | | |
| 976 | K | 27.2 | Very low | 27.9 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | | | trans | 74.8 | 93.4 | 173.7 | -54.5 | -177.2 | -179.8 | 179 | 0 | 120.3 | | |
| 977 | V | 27.4 | Very low | 28 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | | | | -137.3 | 142.6 | 121.2 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 978 | L | 29.4 | Very low | 27.8 | Very low | 170 Ų | 170 | 138 Ų | 138 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | | | trans | -74.2 | 141.2 | -177.8 | -72.5 | 152.3 | 0 | 0 | 0 | 112.4 | | |
| 979 | Q | 23.4 | Very low | 27.7 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | trans | -90.1 | -163.5 | 165.3 | -66.7 | 175.5 | -48.9 | 0 | 0 | 110.2 | | |
| 980 | S | 24.5 | Very low | 27.8 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | trans | 78.8 | 130 | -174.1 | 77.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 981 | S | 25.6 | Very low | 27.8 | Very low | 89 Ų | 89 | 139.4 Ų | 139.4 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | | | cis | -156.1 | 166.3 | -6.5 | -81.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 982 | H | 29.7 | Very low | 27.8 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 72.8 | 121.7 | 163.5 | -47.5 | -56.8 | 0 | 0 | 0 | 117.3 | | |
| 983 | S | 29.1 | Very low | 27.8 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | cis | 89.4 | 129.5 | 40.9 | -162.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 984 | T | 28.7 | Very low | 27.6 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | | | cis | -145.5 | -159.5 | -0.9 | -0.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 985 | H | 32.6 | Very low | 27.4 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | | | cis | -140.8 | -178 | 12.4 | -91.4 | -74.7 | 0 | 0 | 0 | 110.8 | | |
| 986 | N | 28.3 | Very low | 27.5 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | -86.3 | -174.9 | 176 | -56.3 | -30.4 | 0 | 0 | 0 | 110.8 | | |
| 987 | I | 29.8 | Very low | 27.3 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | cis | -146.2 | 127.8 | 44.2 | -65.4 | 158.6 | 0 | 0 | 0 | 106.8 | | |
| 988 | Q | 27.8 | Very low | 27.4 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | | 54 | 146 | 87.3 | -108.9 | 172.8 | -34.8 | 0 | 0 | 113.8 | | |
| 989 | S | 27.7 | Very low | 27.2 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | cis | -145 | -176.9 | -0.9 | 59.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 990 | T | 28.9 | Very low | 27.4 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | | | cis | -145.4 | -175.2 | 2.9 | -35.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 991 | L | 26.9 | Very low | 27.6 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | | | trans | -133.5 | 141.4 | 171 | -177.9 | 134.4 | 0 | 0 | 0 | 110.5 | | |
| 992 | K | 29.4 | Very low | 27.5 | Very low | 204 Ų | 204 | 141 Ų | 141 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | | | trans | -140.5 | 128.3 | 163.9 | -84.4 | -164.9 | 174 | -175.8 | 0 | 110.8 | | |
| 993 | N | 24.9 | Very low | 27.5 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | trans | -88 | 138.7 | 168.5 | -59.4 | -29.3 | 0 | 0 | 0 | 108.9 | | |
| 994 | T | 25.6 | Very low | 27.3 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | | | trans | -139.7 | 111.1 | 151.1 | -30 | 0 | 0 | 0 | 0 | 108.5 | V996 | T994-V996 HydrophobicContact CG2-CG2 3.45Å; T994-V996 VanDerWaalsContact CG2-CG2 3.45Å |
| 995 | L | 23.9 | Very low | 27.2 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | | | trans | -88.8 | 123.1 | 167.3 | -150.7 | 160.8 | 0 | 0 | 0 | 105.6 | | |
| 996 | V | 26.3 | Very low | 26.9 | Very low | 102 Ų | 102 | 142 Ų | 142 | 62% | 0.618 | 77% | 0.766 | S | S | * | * | | | trans | -135.1 | 86.7 | -173.3 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | T994 V998 | T994-V996 HydrophobicContact CG2-CG2 3.45Å; T994-V996 VanDerWaalsContact CG2-CG2 3.45Å; V996-V998 HydrophobicContact CG1-CG2 3.76Å |
| 997 | D | 24.3 | Very low | 26.9 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | -75.3 | 133.2 | 157.2 | -71 | -57.8 | 0 | 0 | 0 | 108.4 | | |
| 998 | V | 28.7 | Very low | 26.8 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | | | trans | -122.8 | 90.9 | 170.1 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | V996 L1000 | V996-V998 HydrophobicContact CG1-CG2 3.76Å; V998-L1000 HydrophobicContact CG1-CB 4.32Å; V998-L1000 HydrophobicContact CG1-CD1 3.81Å; V998-L1000 HydrophobicContact CG1-CG 3.78Å; V998-L1000 PolarHBondContact O-N 2.55Å |
| 999 | E | 24.7 | Very low | 26.7 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | | | trans | -71 | 112.3 | 158.8 | -68.8 | -168.4 | 124.5 | 0 | 0 | 108.8 | | |
| 1000 | L | 27.1 | Very low | 26.9 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | trans | -131.1 | 81.7 | 166 | -82.1 | 178.9 | 0 | 0 | 0 | 111.6 | V998 | V998-L1000 HydrophobicContact CG1-CB 4.32Å; V998-L1000 HydrophobicContact CG1-CD1 3.81Å; V998-L1000 HydrophobicContact CG1-CG 3.78Å; V998-L1000 PolarHBondContact O-N 2.55Å |
| 1001 | N | 29 | Very low | 26.9 | Very low | 141 Ų | 141 | 141 Ų | 141 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | | | trans | 44.1 | 128 | 136.4 | -67.7 | -39.8 | 0 | 0 | 0 | 120.5 | | |
| 1002 | N | 24.3 | Very low | 27 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | | | trans | -47.8 | 142.9 | 154.7 | -50.9 | -80.3 | 0 | 0 | 0 | 111.5 | | |
| 1003 | H | 29.8 | Very low | 26.9 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 88% | 0.884 | 75% | 0.745 | S | S | * | * | | | | -160.1 | 138.6 | 126.1 | -101.3 | -65.1 | 0 | 0 | 0 | 111.6 | | |
| 1004 | T | 24.7 | Very low | 26.9 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | | | trans | -96.2 | 133.1 | 178.1 | 48.7 | 0 | 0 | 0 | 0 | 112 | | |
| 1005 | S | 26.9 | Very low | 27.1 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -167.9 | 136.7 | 140.9 | 44.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1006 | N | 25.8 | Very low | 27.2 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | trans | 4.1 | 133.8 | 147 | -41.5 | -21.2 | 0 | 0 | 0 | 117.1 | | |
| 1007 | H | 29 | Very low | 27.4 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | | | | -167.8 | 144.1 | 67.7 | -99.2 | -92.7 | 0 | 0 | 0 | 112.8 | | |
| 1008 | Q | 26.3 | Very low | 27.5 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | | | trans | 39.1 | 144.9 | 131 | -68.1 | 176.9 | -38.5 | 0 | 0 | 121.1 | | |
| 1009 | I | 27.5 | Very low | 27.4 | Very low | 115 Ų | 115 | 141 Ų | 141 | 59% | 0.59 | 76% | 0.764 | S | S | * | * | | | cis | -160.5 | 147.9 | 17.3 | -131.3 | 161.5 | 0 | 0 | 0 | 112 | | |
| 1010 | Q | 30.9 | Very low | 27.6 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | | | trans | 56.4 | 156.6 | 158.7 | -64.9 | 164.8 | 18.1 | 0 | 0 | 120.7 | | |
| 1011 | S | 28.6 | Very low | 27.6 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | | | cis | -165.8 | 164.6 | -36.2 | 58.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1012 | N | 30 | Very low | 27.5 | Very low | 159 Ų | 159 | 139 Ų | 139 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | 65.8 | 86.7 | 160.1 | -56.8 | -18.2 | 0 | 0 | 0 | 118.6 | | |
| 1013 | G | 26.9 | Very low | 27.5 | Very low | 74 Ų | 74 | 142.8 Ų | 142.8 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | | | trans | -94.8 | -159.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1014 | M | 25.7 | Very low | 27.4 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | -160.4 | 124.8 | 147.7 | -92.2 | -132.1 | -74.1 | 0 | 0 | 113.1 | | |
| 1015 | K | 28.3 | Very low | 27.6 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | | | trans | 39.2 | 98.9 | 151.3 | -64.9 | -179.8 | 178.8 | 174.1 | 0 | 121.1 | | |
| 1016 | V | 27.6 | Very low | 27.6 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | -49.3 | 147.5 | 143.6 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1017 | P | 28.6 | Very low | 27.7 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | | | | -153.2 | 159.3 | 55.6 | 44.7 | -23.9 | 0 | 0 | 0 | 122.6 | | |
| 1018 | T | 27.3 | Very low | 27.8 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | 56.7 | 119 | 146.2 | 50.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1019 | N | 27.4 | Very low | 27.9 | Very low | 135 Ų | 135 | 146 Ų | 146 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | trans | -70.3 | 141.6 | 167.1 | -70.6 | -16.3 | 0 | 0 | 0 | 113.1 | | |
| 1020 | Q | 28 | Very low | 28 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | | 44.6 | 132 | 116 | -49.8 | 159 | -8.4 | 0 | 0 | 118.7 | | |
| 1021 | T | 27.7 | Very low | 28 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | | | cis | -155.4 | 125.8 | -3.8 | 1.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1022 | N | 26.6 | Very low | 28 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -79.9 | 122.2 | 174 | -78.3 | -21.8 | 0 | 0 | 0 | 110.9 | Y1024 | N1022-Y1024 PolarHBondContact O-N 2.69Å; N1022-Y1024 VanDerWaalsContact O-N 3.15Å |
| 1023 | Y | 24.7 | Very low | 28 | Very low | 228 Ų | 228 | 150.3 Ų | 150.3 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | | | trans | -73.7 | 98.7 | 167.1 | -77.3 | -89.2 | 0 | 0 | 0 | 109.9 | | |
| 1024 | Y | 27.2 | Very low | 28 | Very low | 205 Ų | 205 | 154 Ų | 154 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -81 | 129.6 | 171.2 | -113 | -95.2 | 0 | 0 | 0 | 110.6 | N1022 | N1022-Y1024 PolarHBondContact O-N 2.69Å; N1022-Y1024 VanDerWaalsContact O-N 3.15Å |
| 1025 | L | 27.7 | Very low | 28.3 | Very low | 138 Ų | 138 | 153.6 Ų | 153.6 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | | | trans | -69.2 | 134.9 | 167.5 | -87.3 | 71.7 | 0 | 0 | 0 | 109.7 | I1027 | L1025-I1027 PolarHBondContact O-N 3.2Š|
| 1026 | P | 28.6 | Very low | 28.3 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | | | trans | -70 | 91.5 | 169.4 | -18.5 | 32.7 | 0 | 0 | 0 | 111.3 | H1028 | P1026-H1028 VanDerWaalsContact C-N 3.35Å; P1026-H1028 PolarHBondContact O-N 3.03Å |
| 1027 | I | 26.8 | Very low | 28.4 | Very low | 140 Ų | 140 | 148.3 Ų | 148.3 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | | | trans | -75.7 | 89.2 | 169.7 | -55.5 | 177.5 | 0 | 0 | 0 | 108.2 | L1025 Q1029 | L1025-I1027 PolarHBondContact O-N 3.2Å; I1027-Q1029 VanDerWaalsContact C-N 3.31Å; I1027-Q1029 HydrophobicContact CG2-CG 4.35Å; I1027-Q1029 PolarHBondContact O-N 3.19Å |
| 1028 | H | 31.5 | Very low | 28.5 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | | | trans | -73.5 | 83.7 | 173.8 | -107 | -74.3 | 0 | 0 | 0 | 111 | P1026 L1030 | P1026-H1028 VanDerWaalsContact C-N 3.35Å; P1026-H1028 PolarHBondContact O-N 3.03Å; H1028-L1030 PolarHBondContact O-N 2.93Å |
| 1029 | Q | 28.1 | Very low | 28.5 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -62.6 | 111.5 | 160.5 | -69.8 | -174.6 | -6.2 | 0 | 0 | 108.7 | I1027 | I1027-Q1029 VanDerWaalsContact C-N 3.31Å; I1027-Q1029 HydrophobicContact CG2-CG 4.35Å; I1027-Q1029 PolarHBondContact O-N 3.19Å |
| 1030 | L | 30.3 | Very low | 28.6 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | | | trans | -109.1 | 97.5 | 176.7 | -137.3 | 169.4 | 0 | 0 | 0 | 109.1 | H1028 K1032 | H1028-L1030 PolarHBondContact O-N 2.93Å; L1030-K1032 PolarHBondContact O-N 2.96Å |
| 1031 | N | 31 | Very low | 28.4 | Very low | 155 Ų | 155 | 152.1 Ų | 152.1 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | -72.3 | 110.9 | -170.1 | -141.9 | -7.3 | 0 | 0 | 0 | 110.2 | N1033 | N1031-N1033 PolarHBondContact O-N 3.46Å; N1031-N1033 VanDerWaalsContact O-N 3.09Å |
| 1032 | K | 28 | Very low | 28.5 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | | | trans | -66.1 | 106.9 | 177.2 | -70.9 | -175.9 | -178.5 | -178.8 | 0 | 109 | D278 L1030 | D278-K1032 IonicContact OD1-NZ 2.73Å; D278-K1032 PolarHBondContact OD1-NZ 3.42Å; D278-K1032 IonicContact OD2-NZ 3.49Å; D278-K1032 PolarHBondContact OD2-NZ 2.9Å; L1030-K1032 PolarHBondContact O-N 2.96Å |
| 1033 | N | 29.7 | Very low | 28.3 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -119 | 116.5 | 171.6 | -151.7 | -4 | 0 | 0 | 0 | 110 | N1031 | N1031-N1033 PolarHBondContact O-N 3.46Å; N1031-N1033 VanDerWaalsContact O-N 3.09Å |
| 1034 | I | 28.1 | Very low | 28.5 | Very low | 151 Ų | 151 | 148 Ų | 148 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | | | trans | -93 | 120.2 | -169.9 | -61 | 166.1 | 0 | 0 | 0 | 108.8 | | |
| 1035 | N | 32.2 | Very low | 28.3 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | | | trans | -158.1 | 146.2 | 151.9 | -104 | -43.2 | 0 | 0 | 0 | 111.8 | | |
| 1036 | S | 26.4 | Very low | 28.3 | Very low | 96 Ų | 96 | 150 Ų | 150 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | trans | -107.3 | 140.2 | -173.2 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1037 | N | 31.2 | Very low | 28.1 | Very low | 126 Ų | 126 | 150 Ų | 150 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | | | | 175.6 | 133.5 | 118.8 | -97.7 | -72.8 | 0 | 0 | 0 | 113.2 | | |
| 1038 | K | 30.2 | Very low | 28 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 74% | 0.735 | 79% | 0.785 | S | S | * | * | | | trans | 41.6 | 123.5 | 138.4 | -63.6 | 172.8 | -175.3 | 171.8 | 0 | 120.9 | | |
| 1039 | N | 26.7 | Very low | 27.9 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | 63.3 | 98.5 | 135.9 | -53.3 | 6.7 | 0 | 0 | 0 | 118.3 | | |
| 1040 | N | 30.1 | Very low | 27.8 | Very low | 162 Ų | 162 | 151 Ų | 151 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | | | | -178.4 | 163.5 | 97.9 | -90 | -23.4 | 0 | 0 | 0 | 112.8 | | |
| 1041 | T | 24.6 | Very low | 27.6 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -86.9 | 123.6 | 178.4 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1042 | S | 28.3 | Very low | 27.4 | Very low | 89 Ų | 89 | 150.7 Ų | 150.7 | 62% | 0.622 | 79% | 0.791 | S | S | * | * | | | trans | -155 | 141.9 | 142.5 | -165.3 | 0 | 0 | 0 | 0 | 110.8 | H1044 | S1042-H1044 PolarHBondContact OG-CD2 3.15Å; S1042-H1044 PolarHBondContact OG-NE2 3.42Å |
| 1043 | L | 22.7 | Very low | 27.1 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -100.9 | 109.3 | 168.4 | -84.5 | 167.5 | 0 | 0 | 0 | 108.2 | | |
| 1044 | H | 29.7 | Very low | 27 | Very low | 156 Ų | 156 | 147 Ų | 147 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | trans | -119.1 | 107.7 | 163.3 | -75.2 | -81.6 | 0 | 0 | 0 | 109.3 | S1042 | S1042-H1044 PolarHBondContact OG-CD2 3.15Å; S1042-H1044 PolarHBondContact OG-NE2 3.42Å |
| 1045 | Y | 22 | Very low | 26.9 | Very low | 221 Ų | 221 | 145.7 Ų | 145.7 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -66.5 | 131 | 150 | -85.6 | -100.5 | 0 | 0 | 0 | 107.3 | | |
| 1046 | L | 28.7 | Very low | 26.5 | Very low | 165 Ų | 165 | 147.6 Ų | 147.6 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -112.1 | 136 | 162.4 | -85.2 | 168.1 | 0 | 0 | 0 | 108.3 | | |
| 1047 | S | 25 | Very low | 26.6 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -75.5 | 166.9 | -174.8 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | E1049 | S1047-E1049 PolarHBondContact O-N 3.47Š|
| 1048 | S | 24.2 | Very low | 26.3 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | -59.9 | 119.3 | 174.1 | 51 | 0 | 0 | 0 | 0 | 113 | | |
| 1049 | E | 29.8 | Very low | 26.4 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | trans | -114.8 | 151.1 | 162.2 | -80 | -167.1 | 132.9 | 0 | 0 | 111.4 | S1047 | S1047-E1049 PolarHBondContact O-N 3.47Š|
| 1050 | Q | 25.6 | Very low | 26.4 | Very low | 200 Ų | 200 | 149.9 Ų | 149.9 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | | | trans | -86.6 | 107.1 | -174.7 | -61 | 172.7 | -3.2 | 0 | 0 | 110.9 | | |
| 1051 | V | 26.4 | Very low | 26.5 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | trans | -131.5 | 101.9 | 175 | -172.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1052 | Q | 25.4 | Very low | 26.7 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | | | trans | 43.1 | 112.3 | 149.4 | -68.1 | 172.7 | -19.1 | 0 | 0 | 120 | | |
| 1053 | S | 22.4 | Very low | 26.8 | Very low | 107 Ų | 107 | 153 Ų | 153 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134.1 | 159.5 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | T1055 | S1053-T1055 PolarHBondContact O-N 3.06Š|
| 1054 | P | 27.8 | Very low | 26.9 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 126.4 | 178.1 | 27.9 | -33.9 | 0 | 0 | 0 | 112.1 | | |
| 1055 | T | 26.4 | Very low | 26.5 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 131 | -174.1 | -48.5 | 0 | 0 | 0 | 0 | 113.4 | S1053 V1057 | S1053-T1055 PolarHBondContact O-N 3.06Å; T1055-V1057 HydrophobicContact CG2-CG2 4.39Å; T1055-V1057 PolarHBondContact O-N 3.35Å |
| 1056 | F | 22.6 | Very low | 26.7 | Very low | 205 Ų | 205 | 152.6 Ų | 152.6 | 90% | 0.899 | 81% | 0.812 | S | S | * | * | | | trans | -64.6 | 103.5 | 166.2 | -89.2 | -92.9 | 0 | 0 | 0 | 111 | | |
| 1057 | V | 29.6 | Very low | 26.4 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 70% | 0.697 | 81% | 0.805 | S | S | * | * | | | trans | -102.5 | 89.6 | 169 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | T1055 K1059 | T1055-V1057 HydrophobicContact CG2-CG2 4.39Å; T1055-V1057 PolarHBondContact O-N 3.35Å; V1057-K1059 HydrophobicContact CG1-CG 4.42Å; V1057-K1059 PolarHBondContact O-N 3.22Å |
| 1058 | N | 24.4 | Very low | 26.6 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | -72.8 | 105.1 | 175.3 | -175.4 | 4.6 | 0 | 0 | 0 | 110.2 | | |
| 1059 | K | 32.6 | Very low | 26.5 | Very low | 186 Ų | 186 | 150.4 Ų | 150.4 | 81% | 0.809 | 80% | 0.802 | S | S | * | * | | | trans | -119.2 | 110.6 | 169.6 | -85.7 | -168.9 | 174.1 | -177.9 | 0 | 111.9 | V1057 | V1057-K1059 HydrophobicContact CG1-CG 4.42Å; V1057-K1059 PolarHBondContact O-N 3.22Å |
| 1060 | T | 27.3 | Very low | 26.4 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -80.1 | 119.8 | 178.5 | 51 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1061 | S | 31.9 | Very low | 26.5 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -147.6 | 109.1 | 157.7 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1062 | K | 28.1 | Very low | 26.6 | Very low | 204 Ų | 204 | 143.8 Ų | 143.8 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | | | trans | -77.8 | 132.2 | 173.8 | -61.7 | 172.1 | -179.3 | 173.9 | 0 | 109.4 | | |
| 1063 | T | 30.3 | Very low | 26.8 | Very low | 142 Ų | 142 | 145.8 Ų | 145.8 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | | | trans | -150.1 | 141.2 | 152.5 | 11.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1064 | S | 24.2 | Very low | 27.1 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | | | trans | -123.3 | 159.3 | -175.2 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1065 | Y | 22.3 | Very low | 27.3 | Very low | 218 Ų | 218 | 143.5 Ų | 143.5 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | 67.3 | 135.7 | -178.2 | -42.8 | -81.6 | 0 | 0 | 0 | 112.2 | | |
| 1066 | Y | 25.6 | Very low | 27.5 | Very low | 220 Ų | 220 | 147.1 Ų | 147.1 | 86% | 0.863 | 78% | 0.782 | S | S | * | * | | | cis | -142.1 | 167.4 | 35.2 | -109.7 | -98.7 | 0 | 0 | 0 | 112.7 | | |
| 1067 | S | 23.6 | Very low | 27.9 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -113.4 | 125.1 | 162.6 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1068 | P | 28 | Very low | 28 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | trans | -105.7 | 127 | 171.1 | 34.5 | -26.1 | 0 | 0 | 0 | 111.9 | | |
| 1069 | V | 23.5 | Very low | 28.1 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -79.5 | 156.1 | 161.8 | 172.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1070 | S | 26.6 | Very low | 28 | Very low | 93 Ų | 93 | 145.8 Ų | 145.8 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | trans | 115.4 | 127.7 | 152.5 | 78.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1071 | Q | 26.9 | Very low | 27.9 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | 53.8 | 126.4 | 139.6 | -55.9 | 169.3 | 10.6 | 0 | 0 | 119.2 | | |
| 1072 | N | 29.3 | Very low | 27.8 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 57% | 0.572 | 78% | 0.78 | S | S | * | * | | | | -167.8 | 141.9 | 61.9 | -93.2 | -82.8 | 0 | 0 | 0 | 114.3 | | |
| 1073 | R | 30.1 | Very low | 27.9 | Very low | 223 Ų | 223 | 144.6 Ų | 144.6 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | | | trans | 63.4 | 145.2 | 137.1 | -62.6 | 171.8 | -164.3 | -127.5 | -2.3 | 120.2 | | |
| 1074 | S | 28.8 | Very low | 27.6 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | cis | -169.2 | 148.3 | -9.7 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1075 | G | 30.8 | Very low | 27.7 | Very low | 65 Ų | 65 | 154.1 Ų | 154.1 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | | | trans | 132.9 | 83.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1076 | Q | 31.7 | Very low | 27.9 | Very low | 198 Ų | 198 | 150.6 Ų | 150.6 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | | | | 55.8 | 125.1 | 88.5 | -61.9 | -177.6 | -1.8 | 0 | 0 | 113.3 | | |
| 1077 | S | 30.9 | Very low | 28.2 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | cis | -167.6 | 172.6 | -5.1 | 70.5 | 0 | 0 | 0 | 0 | 109 | | |
| 1078 | I | 30.6 | Very low | 28.3 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | | | cis | -150.6 | 152.8 | 4.8 | -150.5 | 162.4 | 0 | 0 | 0 | 113.7 | | |
| 1079 | Q | 26.7 | Very low | 28.3 | Very low | 154 Ų | 154 | 153.4 Ų | 153.4 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -13.5 | 131.4 | 161.6 | -145.7 | 69.3 | 6 | 0 | 0 | 123.1 | | |
| 1080 | K | 30.9 | Very low | 28.8 | Very low | 205 Ų | 205 | 152.9 Ų | 152.9 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | | | | -166.8 | 130.2 | 115.1 | -106.3 | 177.2 | -177.5 | -178.2 | 0 | 111.6 | | |
| 1081 | V | 25.6 | Very low | 28.8 | Very low | 111 Ų | 111 | 151.6 Ų | 151.6 | 67% | 0.673 | 78% | 0.782 | S | S | * | * | | | trans | -147.5 | 130.5 | -176.8 | 174 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1082 | I | 30.2 | Very low | 29.1 | Very low | 172 Ų | 172 | 152.5 Ų | 152.5 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | | | trans | -157.6 | 134.4 | 164 | -52.5 | -179.4 | 0 | 0 | 0 | 106.5 | | |
| 1083 | D | 28.9 | Very low | 29 | Very low | 136 Ų | 136 | 156.5 Ų | 156.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | cis | -155.8 | -166.2 | -36.4 | -148.7 | -90 | 0 | 0 | 0 | 109 | | |
| 1084 | Y | 23.9 | Very low | 29 | Very low | 197 Ų | 197 | 156.8 Ų | 156.8 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -116.7 | 157.8 | -174 | -94.5 | -94.1 | 0 | 0 | 0 | 114.7 | | |
| 1085 | R | 27.6 | Very low | 29 | Very low | 238 Ų | 238 | 159.2 Ų | 159.2 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | | | trans | -146.2 | 107.1 | 144.3 | -112.3 | -176.4 | -173.2 | -176.1 | 3.9 | 112.3 | | |
| 1086 | N | 25.2 | Very low | 28.8 | Very low | 145 Ų | 145 | 163.4 Ų | 163.4 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | | | trans | -99.5 | 148 | 159.3 | -88.4 | -22.6 | 0 | 0 | 0 | 108.9 | | |
| 1087 | T | 31.8 | Very low | 28.8 | Very low | 142 Ų | 142 | 164 Ų | 164 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | | | trans | -132.8 | 138.6 | 174.2 | -17.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1088 | L | 26.5 | Very low | 28.5 | Very low | 145 Ų | 145 | 162.3 Ų | 162.3 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | | | trans | -120.3 | 126.6 | -167.5 | -78.9 | 164.1 | 0 | 0 | 0 | 112.4 | | |
| 1089 | Y | 27.9 | Very low | 28.6 | Very low | 213 Ų | 213 | 163.2 Ų | 163.2 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | 61.2 | -177.3 | 155 | -79.4 | -83.7 | 0 | 0 | 0 | 115.7 | | |
| 1090 | P | 34.2 | Very low | 28.5 | Very low | 124 Ų | 124 | 163.9 Ų | 163.9 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | | | cis | -121.7 | 160.6 | -0.3 | 40.6 | -25.5 | 0 | 0 | 0 | 116.6 | | |
| 1091 | G | 26.4 | Very low | 28.6 | Very low | 66 Ų | 66 | 158.5 Ų | 158.5 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | | | trans | -86.8 | -161.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1092 | L | 32.5 | Very low | 28.7 | Very low | 180 Ų | 180 | 158 Ų | 158 | 94% | 0.942 | 81% | 0.809 | S | S | * | * | | | trans | -166 | 158.8 | 156.8 | -107.2 | 167.4 | 0 | 0 | 0 | 111.6 | | |
| 1093 | K | 28.9 | Very low | 28.5 | Very low | 190 Ų | 190 | 155.4 Ų | 155.4 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -116.7 | 133.9 | 173.7 | -66.8 | 178.9 | 178.7 | 178.8 | 0 | 110.3 | | |
| 1094 | R | 30.1 | Very low | 28.4 | Very low | 230 Ų | 230 | 153 Ų | 153 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | | | trans | 168.7 | 120.2 | 145.2 | -94.5 | 156.6 | -175.6 | -152.7 | 0.1 | 108.5 | | |
| 1095 | Q | 27.4 | Very low | 28.6 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | | 68.2 | 112.7 | 83.6 | -80.6 | -170.3 | -31.6 | 0 | 0 | 115.2 | | |
| 1096 | N | 28 | Very low | 28.7 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | 28.7 | 110.5 | 144.9 | -57.5 | 9.5 | 0 | 0 | 0 | 118.8 | | |
| 1097 | K | 31.1 | Very low | 28.8 | Very low | 210 Ų | 210 | 143.4 Ų | 143.4 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | | | | -155.2 | 133.9 | 116.3 | -106.6 | 161.8 | -174.9 | -178.8 | 0 | 109.4 | | |
| 1098 | G | 24.7 | Very low | 28.5 | Very low | 73 Ų | 73 | 144.7 Ų | 144.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | -74.7 | 141.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1099 | L | 31.3 | Very low | 28.5 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | trans | -115.1 | 107.7 | 160.6 | -100.3 | 166.4 | 0 | 0 | 0 | 108 | A1101 | L1099-A1101 PolarHBondContact O-N 2.91Š|
| 1100 | H | 24.8 | Very low | 28.4 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | | | trans | -67.7 | 120.3 | 171.6 | -91.8 | -103.1 | 0 | 0 | 0 | 109.6 | T1102 | H1100-T1102 HydrophobicContact CB-CG2 3.74Š|
| 1101 | A | 34.6 | Very low | 28 | Very low | 92 Ų | 92 | 145.5 Ų | 145.5 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | trans | -150.4 | 50.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | L1099 | L1099-A1101 PolarHBondContact O-N 2.91Š|
| 1102 | T | 26.1 | Very low | 28.1 | Very low | 100 Ų | 100 | 148 Ų | 148 | 61% | 0.613 | 79% | 0.792 | S | S | * | * | | | | 47.2 | 119.5 | 89.7 | 63.5 | 0 | 0 | 0 | 0 | 114 | H1100 | H1100-T1102 HydrophobicContact CB-CG2 3.74Š|
| 1103 | S | 26.7 | Very low | 27.9 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | 68.2 | 141.4 | 163.4 | -65.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1104 | S | 26.8 | Very low | 28 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | | | cis | -170 | 160.4 | -9.5 | 44 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1105 | T | 27.3 | Very low | 28.1 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | 63.2 | 164.3 | 158.6 | 50.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1106 | V | 31.2 | Very low | 28.6 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | cis | -129.4 | 146.3 | 5.7 | -144.4 | 0 | 0 | 0 | 0 | 111 | | |
| 1107 | N | 27.1 | Very low | 29 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | | | trans | -51.9 | 152.6 | 149.5 | -60.9 | -45.6 | 0 | 0 | 0 | 108.5 | Y1109 | N1107-Y1109 PolarHBondContact O-N 3.33Š|
| 1108 | L | 25.4 | Very low | 29.2 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | S | Bend | | 40.3 | 24 | 69.5 | -95.8 | 173.1 | 0 | 0 | 0 | 116 | | |
| 1109 | Y | 26.7 | Very low | 29.6 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | -149.2 | 110.7 | 152.7 | -93.4 | -66.3 | 0 | 0 | 0 | 111.1 | N1107 T1111 | N1107-Y1109 PolarHBondContact O-N 3.33Å; Y1109-T1111 PolarHBondContact O-N 3.41Å |
| 1110 | Q | 25.4 | Very low | 29.7 | Very low | 195 Ų | 195 | 142.7 Ų | 142.7 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | | | trans | -90.8 | 79.2 | 172.7 | -172.7 | 172.2 | 2.9 | 0 | 0 | 108.9 | P1112 | Q1110-P1112 WeakPolarHBondContact O-CD 3.4Š|
| 1111 | T | 26.1 | Very low | 30 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | | | trans | -88.5 | 115.5 | 176.7 | 38.1 | 0 | 0 | 0 | 0 | 111.1 | Y1109 | Y1109-T1111 PolarHBondContact O-N 3.41Š|
| 1112 | P | 27 | Very low | 29.9 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -110 | 106.4 | -173.3 | 35.9 | -24.1 | 0 | 0 | 0 | 113.6 | Q1110 | Q1110-P1112 WeakPolarHBondContact O-CD 3.4Š|
| 1113 | T | 28.7 | Very low | 30.3 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | | | trans | -151.2 | 139.1 | 166.2 | 36.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1114 | D | 31.8 | Very low | 30.7 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | cis | -136.2 | 170.9 | 13.3 | -97.9 | -53 | 0 | 0 | 0 | 114.9 | | |
| 1115 | S | 31.2 | Very low | 31.1 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -81.1 | 177 | 179.9 | -113.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1116 | P | 38.9 | Very low | 31.3 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | | | cis | -143.5 | 154.3 | 27 | 40.5 | -20.9 | 0 | 0 | 0 | 119.4 | | |
| 1117 | N | 35.9 | Very low | 31.5 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | S | Bend | | -175.9 | 158.1 | 111.1 | -94.1 | -43 | 0 | 0 | 0 | 112.3 | | |
| 1118 | H | 36.3 | Very low | 31.8 | Very low | 184 Ų | 184 | 145.9 Ų | 145.9 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | 50.9 | 65 | -179.9 | -64.8 | -77.8 | 0 | 0 | 0 | 115.7 | | |
| 1119 | R | 33.3 | Very low | 32.2 | Very low | 227 Ų | 227 | 143.5 Ų | 143.5 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | | | | 64.4 | 117.4 | 69.4 | -81.8 | -170 | 168.9 | -171.8 | -1.1 | 117.7 | | |
| 1120 | R | 32.1 | Very low | 32.5 | Very low | 236 Ų | 236 | 141.5 Ų | 141.5 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | | | trans | 75.7 | 146.3 | 158.4 | -69.5 | -175.4 | 174.2 | -172.3 | -2.5 | 118.9 | | |
| 1121 | S | 30.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | cis | -176.8 | 140 | -28.7 | 47 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1122 | G | 32.6 | Very low | 32.9 | Very low | 68 Ų | 68 | 136.5 Ų | 136.5 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | trans | 103 | 152.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1123 | N | 35.6 | Very low | 33.1 | Very low | 135 Ų | 135 | 139 Ų | 139 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | | | cis | -158.5 | 147.5 | 2.7 | -119.6 | 13.3 | 0 | 0 | 0 | 112.5 | | |
| 1124 | H | 34.1 | Very low | 33.4 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | trans | 64.1 | 147.8 | 168.1 | -47 | -55.9 | 0 | 0 | 0 | 118.2 | | |
| 1125 | S | 36.6 | Very low | 33.5 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | cis | -158.3 | 144.2 | -20.8 | 46.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1126 | A | 31.1 | Very low | 33.6 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | | | trans | -106.2 | 167.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1127 | K | 33.8 | Very low | 33.3 | Very low | 195 Ų | 195 | 148.8 Ų | 148.8 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | trans | 150.9 | 151.2 | 145.3 | -88 | -173.7 | 179.3 | -173.4 | 0 | 111.6 | | |
| 1128 | I | 34.1 | Very low | 33.2 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 64% | 0.641 | 78% | 0.778 | S | S | * | * | | | cis | -159.8 | 145.7 | -27.6 | -129.5 | 176.9 | 0 | 0 | 0 | 108.2 | | |
| 1129 | I | 33.6 | Very low | 33 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 62% | 0.621 | 77% | 0.773 | S | S | * | * | | | trans | 24.2 | 134.2 | 130.6 | -54.1 | 171.2 | 0 | 0 | 0 | 116.7 | | |
| 1130 | E | 34.1 | Very low | 33 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | | -171.2 | 136.7 | 78.2 | -155.5 | 95.7 | -111.7 | 0 | 0 | 113.3 | | |
| 1131 | Q | 29.6 | Very low | 33 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 58% | 0.584 | 76% | 0.759 | S | S | * | * | | | trans | 30.2 | 173.7 | 133.2 | -50.5 | -178.7 | 51.3 | 0 | 0 | 121.7 | | |
| 1132 | A | 29.4 | Very low | 33.2 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | | | cis | -149.2 | 135.3 | 13.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1133 | K | 32 | Very low | 33.3 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | | 65.2 | 102.8 | 102.3 | -61.3 | 174.1 | 176.3 | 154.1 | 0 | 116.6 | | |
| 1134 | L | 35.2 | Very low | 33 | Very low | 246 Ų | 246 | 144.3 Ų | 144.3 | 100% | 1.288 | 77% | 0.767 | S | S | * | * | | | | -144 | 0 | 105.6 | -118.2 | 169.7 | 0 | 0 | 0 | 109.3 | | |