| 1 | M | 32.8 | Very low | 33.5 | Very low | 245 Ų | 245 | 146.8 Ų | 146.8 | 100% | 1.207 | 80% | 0.801 | S | S | * | * | | | | 0 | 141.5 | 0 | -96.3 | -176.3 | 164.8 | 0 | 0 | 107.9 | | |
| 2 | A | 36 | Very low | 33.6 | Very low | 86 Ų | 86 | 145.9 Ų | 145.9 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | 79.2 | 128.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 3 | D | 34.4 | Very low | 33.8 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | | | cis | -166.2 | 121.9 | -6.5 | -86.8 | -35.5 | 0 | 0 | 0 | 104 | | |
| 4 | S | 31.3 | Very low | 33.8 | Very low | 95 Ų | 95 | 149.6 Ų | 149.6 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | | | | 31.1 | 115.5 | 102.4 | 59.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 5 | F | 37.3 | Very low | 34.1 | Very low | 207 Ų | 207 | 148.3 Ų | 148.3 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | | | trans | -175.8 | 99.2 | 141.6 | -96.8 | -72.2 | 0 | 0 | 0 | 107.5 | | |
| 6 | N | 31 | Very low | 34.4 | Very low | 144 Ų | 144 | 150.4 Ų | 150.4 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | | 46.4 | 108.1 | 81.1 | -87.8 | -5.1 | 0 | 0 | 0 | 116.9 | | |
| 7 | T | 35.5 | Very low | 34.3 | Very low | 139 Ų | 139 | 149.2 Ų | 149.2 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | -174.5 | 98.8 | 141.3 | -56.1 | 0 | 0 | 0 | 0 | 105.3 | | |
| 8 | T | 31.6 | Very low | 34.1 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 63% | 0.632 | 80% | 0.8 | S | S | * | * | | | | 65.3 | 114.6 | 61.9 | -6.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 9 | H | 31 | Very low | 34.2 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | | | trans | 67.3 | 116.7 | 147.8 | -76.7 | -14.9 | 0 | 0 | 0 | 121.5 | | |
| 10 | N | 36 | Very low | 34.2 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | | | | -163.5 | 136.7 | 93 | -86 | -27.2 | 0 | 0 | 0 | 110.5 | | |
| 11 | N | 31.3 | Very low | 34 | Very low | 141 Ų | 141 | 154.9 Ų | 154.9 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | | | trans | -98.1 | 164.5 | 173.6 | -90.8 | -1.4 | 0 | 0 | 0 | 109.9 | | |
| 12 | D | 35.8 | Very low | 34 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | 78.9 | 108.7 | 154 | -52.3 | -29 | 0 | 0 | 0 | 117.9 | | |
| 13 | D | 36.3 | Very low | 34 | Very low | 169 Ų | 169 | 156.1 Ų | 156.1 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | | -175.4 | 94.1 | 121.5 | -84.8 | -22.8 | 0 | 0 | 0 | 109 | | |
| 14 | E | 33.8 | Very low | 33.8 | Very low | 175 Ų | 175 | 159.1 Ų | 159.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -81 | 160.7 | 159.7 | -79.1 | -74.7 | 169.2 | 0 | 0 | 109.7 | | |
| 15 | D | 38.3 | Very low | 33.9 | Very low | 130 Ų | 130 | 163.4 Ų | 163.4 | 70% | 0.695 | 82% | 0.824 | S | S | * | * | | | trans | 80.3 | 88.6 | 166.6 | -63.3 | -29 | 0 | 0 | 0 | 119.9 | | |
| 16 | L | 38.1 | Very low | 33.8 | Very low | 182 Ų | 182 | 162.1 Ų | 162.1 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | | | trans | -136.2 | 87.7 | 144.6 | -93.1 | 168.2 | 0 | 0 | 0 | 110.5 | | |
| 17 | I | 33.5 | Very low | 34.1 | Very low | 130 Ų | 130 | 163.5 Ų | 163.5 | 67% | 0.667 | 83% | 0.829 | S | S | * | * | | | trans | -72 | 145.6 | 166.2 | -70.3 | 167.1 | 0 | 0 | 0 | 109.8 | | |
| 18 | N | 30.9 | Very low | 34 | Very low | 153 Ų | 153 | 163.2 Ų | 163.2 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | trans | 88.2 | 87.9 | 170.2 | -57.7 | -29.4 | 0 | 0 | 0 | 118.5 | | |
| 19 | K | 35.7 | Very low | 34.1 | Very low | 207 Ų | 207 | 165.3 Ų | 165.3 | 90% | 0.9 | 84% | 0.839 | S | S | * | * | | | trans | -138.8 | 78.7 | 157.4 | -84.6 | -176 | 177.3 | 171.5 | 0 | 110.3 | | |
| 20 | E | 33 | Very low | 34.1 | Very low | 193 Ų | 193 | 164.6 Ų | 164.6 | 90% | 0.902 | 84% | 0.841 | S | S | * | * | | | trans | -161.3 | 75.2 | 163 | -123.7 | 171.7 | -168.7 | 0 | 0 | 110.7 | | |
| 21 | L | 30.5 | Very low | 34.1 | Very low | 162 Ų | 162 | 163.4 Ų | 163.4 | 85% | 0.848 | 84% | 0.843 | S | S | * | * | | | trans | -165.6 | 86.7 | 167.1 | -110.8 | 166.9 | 0 | 0 | 0 | 105.9 | | |
| 22 | N | 33.6 | Very low | 34.1 | Very low | 161 Ų | 161 | 161.3 Ų | 161.3 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | | | trans | -176.6 | 94.7 | 168.5 | -89.4 | -34.3 | 0 | 0 | 0 | 109.5 | | |
| 23 | Q | 34.8 | Very low | 33.9 | Very low | 197 Ų | 197 | 161.2 Ų | 161.2 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | | | trans | -179 | 81.5 | 150.6 | -105.1 | 169.1 | 45 | 0 | 0 | 110.3 | | |
| 24 | E | 31.6 | Very low | 34 | Very low | 202 Ų | 202 | 161.2 Ų | 161.2 | 94% | 0.944 | 84% | 0.839 | S | S | * | * | | | trans | -168.2 | 74.4 | 146.7 | -119.6 | 175.1 | 168.2 | 0 | 0 | 110 | | |
| 25 | E | 31.9 | Very low | 33.9 | Very low | 184 Ų | 184 | 160 Ų | 160 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | | | trans | -129.8 | 112 | 164.4 | -82.2 | -170.5 | 160.7 | 0 | 0 | 107.6 | | |
| 26 | Q | 36.6 | Very low | 33.7 | Very low | 181 Ų | 181 | 160.8 Ų | 160.8 | 85% | 0.846 | 85% | 0.847 | S | S | * | * | | | trans | 176.1 | 101.6 | 145.7 | -100 | 167.8 | 50.9 | 0 | 0 | 109.6 | | |
| 27 | N | 35.9 | Very low | 33.5 | Very low | 173 Ų | 173 | 157.2 Ų | 157.2 | 93% | 0.925 | 84% | 0.835 | S | S | * | * | | | trans | -161.4 | 87 | 141.1 | -94 | -26.6 | 0 | 0 | 0 | 109 | | |
| 28 | T | 33.2 | Very low | 33.2 | Very low | 133 Ų | 133 | 160.7 Ų | 160.7 | 82% | 0.816 | 85% | 0.845 | S | S | * | * | | | trans | -80 | 120.6 | 168.5 | 40 | 0 | 0 | 0 | 0 | 110.1 | | |
| 29 | V | 34.1 | Very low | 33.2 | Very low | 146 Ų | 146 | 159.5 Ų | 159.5 | 89% | 0.885 | 85% | 0.846 | S | S | * | * | | | trans | -132 | 119.8 | 152.6 | 176.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 30 | D | 32.1 | Very low | 32.9 | Very low | 147 Ų | 147 | 157.6 Ų | 157.6 | 79% | 0.786 | 84% | 0.842 | S | S | * | * | | | trans | -100 | 131.4 | -171.3 | -169.3 | 10.3 | 0 | 0 | 0 | 109 | | |
| 31 | C | 34.4 | Very low | 32.7 | Very low | 130 Ų | 130 | 153.7 Ų | 153.7 | 88% | 0.878 | 83% | 0.832 | S | S | * | * | | | trans | -154.9 | 115.9 | 166 | -94.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 32 | S | 31.8 | Very low | 32.8 | Very low | 96 Ų | 96 | 152.2 Ų | 152.2 | 67% | 0.671 | 83% | 0.83 | S | S | * | * | | | trans | -84.6 | 156.5 | -172.6 | 53.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 33 | D | 32.7 | Very low | 32.7 | Very low | 134 Ų | 134 | 153.2 Ų | 153.2 | 72% | 0.717 | 83% | 0.829 | S | S | * | * | | | trans | 65.7 | 113.4 | 144.8 | -68.6 | -23.2 | 0 | 0 | 0 | 121.3 | | |
| 34 | N | 37.6 | Very low | 32.8 | Very low | 170 Ų | 170 | 154.5 Ų | 154.5 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | | | | -160.2 | 106.1 | 127.6 | -91.6 | -33.9 | 0 | 0 | 0 | 111 | | |
| 35 | N | 32.2 | Very low | 32.9 | Very low | 150 Ų | 150 | 153.3 Ų | 153.3 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | | | trans | -81.6 | 149 | 164 | -82.2 | -48.9 | 0 | 0 | 0 | 110.5 | | |
| 36 | V | 32.7 | Very low | 32.9 | Very low | 145 Ų | 145 | 151.3 Ų | 151.3 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | | | trans | 171.5 | 148.8 | 136.1 | 153 | 0 | 0 | 0 | 0 | 110.8 | | |
| 37 | P | 34.3 | Very low | 32.9 | Very low | 108 Ų | 108 | 150.2 Ų | 150.2 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | | | trans | -117.6 | 174.6 | -141.9 | 40.8 | -28 | 0 | 0 | 0 | 117.4 | | |
| 38 | F | 27.3 | Very low | 32.7 | Very low | 202 Ų | 202 | 149 Ų | 149 | 89% | 0.886 | 81% | 0.81 | S | S | * | * | | | trans | -26.1 | 141 | 170.1 | -68.9 | -92.8 | 0 | 0 | 0 | 119.7 | | |
| 39 | P | 32.1 | Very low | 32.9 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | trans | -102.6 | 133 | 150.4 | 33.1 | -21.3 | 0 | 0 | 0 | 111.7 | | |
| 40 | M | 28.6 | Very low | 32.7 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 82% | 0.823 | 80% | 0.801 | S | S | * | * | | | trans | -89.2 | 151.8 | 177.7 | -88.7 | -151.8 | -172.5 | 0 | 0 | 113.1 | | |
| 41 | T | 28.6 | Very low | 32.9 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 68% | 0.681 | 80% | 0.804 | S | S | * | * | | | trans | 57.5 | 118.2 | 141.9 | 59.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 42 | T | 33.5 | Very low | 32.6 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | -138.7 | 105.2 | 139.2 | 45.2 | 0 | 0 | 0 | 0 | 109 | | |
| 43 | E | 31 | Very low | 32.8 | Very low | 181 Ų | 181 | 153.7 Ų | 153.7 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -75.8 | 136.5 | 162.9 | -62.2 | -179.2 | 160.1 | 0 | 0 | 108.4 | | |
| 44 | Y | 36.2 | Very low | 32.6 | Very low | 224 Ų | 224 | 154.1 Ų | 154.1 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | | | trans | -128.6 | 127.6 | 164.4 | -100.1 | -83.5 | 0 | 0 | 0 | 109.2 | | |
| 45 | E | 33.5 | Very low | 32.3 | Very low | 178 Ų | 178 | 149.2 Ų | 149.2 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | -71 | 140.8 | -170.3 | -69 | 170.2 | 129.8 | 0 | 0 | 114.1 | | |
| 46 | L | 31.8 | Very low | 32.1 | Very low | 141 Ų | 141 | 149.6 Ų | 149.6 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | | | trans | 22.4 | 120.4 | 133.5 | -70.5 | 155.2 | 0 | 0 | 0 | 119 | | |
| 47 | D | 37.5 | Very low | 32.2 | Very low | 158 Ų | 158 | 149 Ų | 149 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -137.9 | 101.5 | 141.5 | -148 | -5.1 | 0 | 0 | 0 | 110.5 | | |
| 48 | N | 31.8 | Very low | 32 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -91.3 | 90.8 | 174.2 | -86.7 | -23.4 | 0 | 0 | 0 | 108.3 | N50 | N48-N50 PolarHBondContact O-N 3.47Š|
| 49 | S | 38.2 | Very low | 32.2 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -91.3 | 102.7 | 169.7 | 123.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 50 | N | 29.3 | Very low | 32.3 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | trans | -79.1 | 110.1 | 170 | -132.9 | -10 | 0 | 0 | 0 | 108 | N48 | N48-N50 PolarHBondContact O-N 3.47Š|
| 51 | Q | 35.9 | Very low | 32.5 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | | | trans | -130.8 | 105.7 | 163.3 | -94.9 | -170.2 | -0.6 | 0 | 0 | 110.9 | N53 | Q51-N53 PolarHBondContact O-N 3.44Š|
| 52 | H | 28.9 | Very low | 32.7 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -50 | 124.2 | 160.5 | -70 | -85.5 | 0 | 0 | 0 | 110.8 | | |
| 53 | N | 35.4 | Very low | 32.5 | Very low | 162 Ų | 162 | 148.7 Ų | 148.7 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | | | trans | -138.2 | 106.6 | 145.9 | -134.2 | -3.5 | 0 | 0 | 0 | 109.8 | Q51 G55 | Q51-N53 PolarHBondContact O-N 3.44Å; N53-G55 PolarHBondContact O-N 3.21Å |
| 54 | N | 28.4 | Very low | 32.5 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | | | trans | -65.4 | 104.5 | 170.4 | -74.7 | -26.8 | 0 | 0 | 0 | 108.6 | | |
| 55 | G | 31.4 | Very low | 32.5 | Very low | 67 Ų | 67 | 145.3 Ų | 145.3 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | -112.9 | 83.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | N53 V57 | N53-G55 PolarHBondContact O-N 3.21Å; G55-V57 PolarHBondContact O-N 3.38Å |
| 56 | N | 29 | Very low | 32.5 | Very low | 158 Ų | 158 | 144 Ų | 144 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -60.9 | 105.3 | 166.1 | -74.4 | -12.4 | 0 | 0 | 0 | 108.2 | | |
| 57 | V | 33.6 | Very low | 32.6 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | -123.1 | 109.3 | 159.5 | -176.9 | 0 | 0 | 0 | 0 | 107.2 | G55 | G55-V57 PolarHBondContact O-N 3.38Š|
| 58 | T | 30.8 | Very low | 32.3 | Very low | 127 Ų | 127 | 142 Ų | 142 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | trans | -31.8 | 122.9 | 175.1 | -22.5 | 0 | 0 | 0 | 0 | 113.9 | S60 | T58-S60 PolarHBondContact O-N 3.34Š|
| 59 | E | 31 | Very low | 32.4 | Very low | 188 Ų | 188 | 142.6 Ų | 142.6 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | | | trans | -58.8 | 114.3 | 160 | -68.6 | 172.9 | 166.2 | 0 | 0 | 108.8 | | |
| 60 | S | 34.2 | Very low | 32.1 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | -99.1 | 88.9 | 161.8 | 59.2 | 0 | 0 | 0 | 0 | 107.7 | T58 N62 | T58-S60 PolarHBondContact O-N 3.34Å; S60-N62 VanDerWaalsContact C-N 3.32Å; S60-N62 PolarHBondContact O-N 3.18Å |
| 61 | S | 32.3 | Very low | 32.3 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | trans | -63.2 | 92.1 | 161.9 | 45.1 | 0 | 0 | 0 | 0 | 108.7 | E63 | S61-E63 VanDerWaalsContact C-N 3.26Å; S61-E63 PolarHBondContact O-N 3.36Å; S61-E63 VanDerWaalsContact O-N 3.16Å |
| 62 | N | 33 | Very low | 32.1 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | -81.4 | 84.7 | 162.5 | -80.3 | -12.9 | 0 | 0 | 0 | 107.6 | S60 Y64 | S60-N62 VanDerWaalsContact C-N 3.32Å; S60-N62 PolarHBondContact O-N 3.18Å; N62-Y64 PolarHBondContact O-N 3.14Å |
| 63 | E | 30.3 | Very low | 32.2 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -55.8 | 113.8 | 162.7 | -170.6 | 171.2 | -172.2 | 0 | 0 | 108 | S61 V65 | S61-E63 VanDerWaalsContact C-N 3.26Å; S61-E63 PolarHBondContact O-N 3.36Å; S61-E63 VanDerWaalsContact O-N 3.16Å; E63-V65 PolarHBondContact O-N 3.18Å |
| 64 | Y | 30.2 | Very low | 32 | Very low | 226 Ų | 226 | 138.4 Ų | 138.4 | 89% | 0.886 | 75% | 0.751 | S | S | * | * | | | trans | -66.1 | 101 | 172.9 | -117.2 | -98.5 | 0 | 0 | 0 | 107.6 | N62 I66 | N62-Y64 PolarHBondContact O-N 3.14Å; Y64-I66 PolarHBondContact O-N 3.09Å |
| 65 | V | 35.7 | Very low | 32.1 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | | | trans | -65.2 | 115.2 | 171.5 | 176 | 0 | 0 | 0 | 0 | 107.6 | E63 D67 | E63-V65 PolarHBondContact O-N 3.18Å; V65-D67 PolarHBondContact O-N 3.37Å |
| 66 | I | 33.4 | Very low | 32.1 | Very low | 151 Ų | 151 | 144 Ų | 144 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | | | trans | -64.2 | 102.7 | 165.5 | -63.7 | 172.2 | 0 | 0 | 0 | 106.1 | Y64 N68 | Y64-I66 PolarHBondContact O-N 3.09Å; I66-N68 PolarHBondContact O-N 3.31Å |
| 67 | D | 34.9 | Very low | 32.3 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | | | trans | -65.9 | 84.4 | 171.5 | -91.1 | -21.3 | 0 | 0 | 0 | 108.9 | V65 K69 | V65-D67 PolarHBondContact O-N 3.37Å; D67-K69 PolarHBondContact O-N 3.42Å |
| 68 | N | 30.1 | Very low | 32.2 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | | | trans | -74.7 | 70.3 | 171.7 | -148.5 | 22.3 | 0 | 0 | 0 | 108.4 | I66 N70 | I66-N68 PolarHBondContact O-N 3.31Å; N68-N70 PolarHBondContact O-N 3.28Å |
| 69 | K | 35.1 | Very low | 32.2 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 70% | 0.7 | 75% | 0.753 | S | S | * | * | | | trans | -78.7 | 72.2 | 166.2 | -72.4 | -168.6 | 180 | 179.2 | 0 | 108.9 | D67 D71 | D67-K69 PolarHBondContact O-N 3.42Å; K69-D71 PolarHBondContact O-N 3.36Å |
| 70 | N | 30.7 | Very low | 32.1 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | trans | -66.3 | 87.5 | 149.9 | -81.1 | -9.7 | 0 | 0 | 0 | 106.4 | N68 L72 | N68-N70 PolarHBondContact O-N 3.28Å; N70-L72 PolarHBondContact O-N 3.07Å |
| 71 | D | 34.9 | Very low | 31.8 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | trans | -68 | 85 | 162.5 | -79.4 | -23 | 0 | 0 | 0 | 107.1 | K69 I73 | K69-D71 PolarHBondContact O-N 3.36Å; D71-I73 VanDerWaalsContact C-N 3.28Å; D71-I73 PolarHBondContact O-N 3.23Å |
| 72 | L | 31.1 | Very low | 31.6 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -63.1 | 88.9 | 168.8 | -145.3 | 99.9 | 0 | 0 | 0 | 106.6 | N70 T74 | N70-L72 PolarHBondContact O-N 3.07Å; L72-T74 PolarHBondContact O-N 3.23Å |
| 73 | I | 31.2 | Very low | 31.2 | Very low | 159 Ų | 159 | 151 Ų | 151 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | | | trans | -72.7 | 94.5 | 168 | -60.4 | 179.3 | 0 | 0 | 0 | 106.6 | D71 | D71-I73 VanDerWaalsContact C-N 3.28Å; D71-I73 PolarHBondContact O-N 3.23Å |
| 74 | T | 30.4 | Very low | 31.2 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 64% | 0.638 | 77% | 0.766 | S | S | * | * | | | trans | -43.1 | 137.2 | 167.4 | 20.6 | 0 | 0 | 0 | 0 | 112.8 | L72 V76 | L72-T74 PolarHBondContact O-N 3.23Å; T74-V76 PolarHBondContact O-N 3.2Å |
| 75 | E | 30.4 | Very low | 31 | Very low | 195 Ų | 195 | 141.2 Ų | 141.2 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | | | trans | -41 | 112.6 | 164.8 | -58.3 | 178.7 | 168.9 | 0 | 0 | 111.3 | E77 | E75-E77 PolarHBondContact O-N 3.18Š|
| 76 | V | 33 | Very low | 30.7 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | | | trans | -92.3 | 99.1 | 167.8 | 176.9 | 0 | 0 | 0 | 0 | 108 | T74 | T74-V76 PolarHBondContact O-N 3.2Š|
| 77 | E | 31.8 | Very low | 30.4 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | | | trans | 21.4 | 104.6 | 149.1 | -67.8 | -176.8 | 153.8 | 0 | 0 | 117 | E75 R79 | E75-E77 PolarHBondContact O-N 3.18Å; E77-R79 VanDerWaalsContact C-N 3.26Å; E77-R79 PolarHBondContact O-N 3.15Å; E77-R79 IonicContact OE2-NH2 3.79Å |
| 78 | T | 31 | Very low | 30.4 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | | | trans | -55.6 | 89.5 | 151.3 | 50.7 | 0 | 0 | 0 | 0 | 109.4 | N80 | T78-N80 PolarHBondContact O-N 3.36Š|
| 79 | R | 31.5 | Very low | 30.4 | Very low | 201 Ų | 201 | 140.5 Ų | 140.5 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | | | trans | -70.7 | 104 | 165.6 | -76.7 | -170.8 | 179.6 | 146.4 | 6.8 | 108 | E77 L81 | E77-R79 VanDerWaalsContact C-N 3.26Å; E77-R79 PolarHBondContact O-N 3.15Å; E77-R79 IonicContact OE2-NH2 3.79Å; R79-L81 VanDerWaalsContact C-N 3.31Å; R79-L81 PolarHBondContact O-N 3.37Å |
| 80 | N | 28.7 | Very low | 30.2 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | | | trans | -47.3 | 93.4 | 161.6 | -62.7 | -55.9 | 0 | 0 | 0 | 109.2 | T78 T82 | T78-N80 PolarHBondContact O-N 3.36Å; N80-T82 PolarHBondContact O-N 3.33Å |
| 81 | L | 28.4 | Very low | 30.1 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | | | trans | -85 | 97.9 | 162.2 | -122.9 | 84.2 | 0 | 0 | 0 | 107.6 | R79 | R79-L81 VanDerWaalsContact C-N 3.31Å; R79-L81 PolarHBondContact O-N 3.37Å |
| 82 | T | 28 | Very low | 29.9 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | | | trans | -38.3 | 126.7 | 170.5 | -31.4 | 0 | 0 | 0 | 0 | 112.1 | N80 S84 | N80-T82 PolarHBondContact O-N 3.33Å; T82-S84 PolarHBondContact O-N 3.17Å |
| 83 | Q | 24.6 | Very low | 29.7 | Very low | 196 Ų | 196 | 144.7 Ų | 144.7 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | -56.4 | 96.8 | 167.7 | -165.8 | 175 | 29.8 | 0 | 0 | 109.9 | | |
| 84 | S | 31.1 | Very low | 29.4 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -91.4 | 106.4 | 164.2 | 47.6 | 0 | 0 | 0 | 0 | 108.2 | T82 | T82-S84 PolarHBondContact O-N 3.17Š|
| 85 | G | 24.2 | Very low | 29.5 | Very low | 71 Ų | 71 | 146.5 Ų | 146.5 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | trans | -76.5 | 144.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 86 | S | 30.8 | Very low | 29.5 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | 169.5 | 103.8 | 149.3 | 53.7 | 0 | 0 | 0 | 0 | 103.5 | | |
| 87 | G | 25.9 | Very low | 29.5 | Very low | 68 Ų | 68 | 146.4 Ų | 146.4 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | | 71 | 82.3 | 75.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 88 | D | 36.7 | Very low | 29.5 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -165.8 | 102.5 | 150.7 | -86.1 | -24.8 | 0 | 0 | 0 | 107.2 | L90 | D88-L90 PolarHBondContact O-N 3.44Å; D88-L90 VanDerWaalsContact O-N 3.14Å |
| 89 | N | 28.6 | Very low | 29.6 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | | | trans | -65 | 104.1 | 163.8 | -67.9 | -39.3 | 0 | 0 | 0 | 106.7 | | |
| 90 | L | 31 | Very low | 29.5 | Very low | 144 Ų | 144 | 144 Ų | 144 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | trans | -96 | 87.3 | 163.6 | -87.3 | 157.7 | 0 | 0 | 0 | 107.4 | D88 L92 | D88-L90 PolarHBondContact O-N 3.44Å; D88-L90 VanDerWaalsContact O-N 3.14Å; L90-L92 PolarHBondContact O-N 3.48Å |
| 91 | E | 28.4 | Very low | 29.6 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | -58.4 | 107.9 | 154.3 | -84.1 | 172 | 154.2 | 0 | 0 | 107.4 | E93 | E91-E93 PolarHBondContact O-N 3.14Š|
| 92 | L | 32.3 | Very low | 29.8 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | -95.5 | 85.2 | 166.6 | -71.2 | 174.6 | 0 | 0 | 0 | 107.6 | L90 | L90-L92 PolarHBondContact O-N 3.48Š|
| 93 | E | 26.7 | Very low | 29.7 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | | | trans | -78.4 | 143 | 163.4 | -100.2 | -171.7 | 173.7 | 0 | 0 | 110.9 | E91 | E91-E93 PolarHBondContact O-N 3.14Š|
| 94 | C | 24.7 | Very low | 30 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | | | trans | 69.9 | 112.1 | 152.6 | -60.5 | 0 | 0 | 0 | 0 | 119 | | |
| 95 | K | 32.9 | Very low | 30.1 | Very low | 193 Ų | 193 | 140.9 Ų | 140.9 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | | -176.4 | 111.9 | 107 | -97.9 | 164.8 | -176.4 | 176.8 | 0 | 110.6 | I97 | K95-I97 PolarHBondContact O-N 3.18Š|
| 96 | E | 28.5 | Very low | 30.3 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | trans | -59.9 | 113.4 | 162.9 | -158.2 | 168.1 | -160.5 | 0 | 0 | 108.1 | H98 | E96-H98 PolarHBondContact O-N 3.19Š|
| 97 | I | 34 | Very low | 30.6 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -87.4 | 100.3 | -179.7 | -61.1 | 172.4 | 0 | 0 | 0 | 106.5 | K95 P99 | K95-I97 PolarHBondContact O-N 3.18Å; I97-P99 WeakPolarHBondContact O-CD 3.45Å |
| 98 | H | 31.2 | Very low | 30.6 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | | | trans | -63.4 | 123 | 166.8 | -71.4 | -74.3 | 0 | 0 | 0 | 109.3 | E96 N100 | E96-H98 PolarHBondContact O-N 3.19Å; H98-N100 PolarHBondContact O-N 3.01Å |
| 99 | P | 33.7 | Very low | 30.5 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | | | trans | -69.2 | 115.4 | 172.6 | 26.2 | -29.1 | 0 | 0 | 0 | 108.6 | I97 V101 | I97-P99 WeakPolarHBondContact O-CD 3.45Å; P99-V101 PolarHBondContact O-N 3.48Å |
| 100 | N | 30.2 | Very low | 30.4 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | -67 | 116.4 | 176.4 | -163.8 | 8.8 | 0 | 0 | 0 | 108.8 | H98 N102 | H98-N100 PolarHBondContact O-N 3.01Å; N100-N102 PolarHBondContact O-N 3.33Å; N100-N102 VanDerWaalsContact O-N 3.07Å |
| 101 | V | 29.5 | Very low | 30.3 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | | | trans | -64.6 | 102.7 | 171.3 | 177.6 | 0 | 0 | 0 | 0 | 107.2 | P99 E103 | P99-V101 PolarHBondContact O-N 3.48Å; V101-E103 HydrophobicContact CG1-CG 4.14Å |
| 102 | N | 32.2 | Very low | 30.4 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -112.8 | 94.1 | 168.2 | -153 | 32.6 | 0 | 0 | 0 | 108.2 | N100 | N100-N102 PolarHBondContact O-N 3.33Å; N100-N102 VanDerWaalsContact O-N 3.07Å |
| 103 | E | 27.7 | Very low | 30.3 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | -63.6 | 149.2 | 164.6 | -66.1 | 175.5 | 166 | 0 | 0 | 109.7 | V101 | V101-E103 HydrophobicContact CG1-CG 4.14Š|
| 104 | N | 30.9 | Very low | 30.5 | Very low | 133 Ų | 133 | 147.8 Ų | 147.8 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | 89.4 | 100.8 | 171.2 | -44.4 | -56.6 | 0 | 0 | 0 | 116.1 | | |
| 105 | N | 32.5 | Very low | 30.7 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | | 174.6 | 115.5 | 103.1 | -80.4 | -37.9 | 0 | 0 | 0 | 109.5 | T107 | N105-T107 PolarHBondContact O-N 2.9Š|
| 106 | D | 28.2 | Very low | 30.5 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | | | trans | -61.3 | 116.9 | 157.5 | -70.3 | -48.9 | 0 | 0 | 0 | 108.7 | | |
| 107 | T | 36 | Very low | 30.7 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | trans | -162.5 | 124.5 | 151.1 | 1.4 | 0 | 0 | 0 | 0 | 109.8 | N105 S109 | N105-T107 PolarHBondContact O-N 2.9Å; T107-S109 PolarHBondContact O-N 3.05Å |
| 108 | E | 27.8 | Very low | 30.5 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -41.9 | 131.1 | 172.3 | -67.7 | 164.5 | 120.6 | 0 | 0 | 113.1 | | |
| 109 | S | 33.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -146.4 | 117 | 140.2 | 60 | 0 | 0 | 0 | 0 | 109.3 | T107 | T107-S109 PolarHBondContact O-N 3.05Š|
| 110 | Q | 27.3 | Very low | 30.2 | Very low | 178 Ų | 178 | 149.2 Ų | 149.2 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -63.9 | 130.8 | 174.7 | -60.5 | -169.1 | -17.2 | 0 | 0 | 110 | | |
| 111 | N | 28.5 | Very low | 30.2 | Very low | 143 Ų | 143 | 149 Ų | 149 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | trans | -156.4 | 61.7 | 153.7 | -132 | -3.5 | 0 | 0 | 0 | 110.4 | N113 | N111-N113 PolarHBondContact O-N 2.75Š|
| 112 | T | 30.4 | Very low | 30.3 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -78.2 | 93.5 | 162 | 45.8 | 0 | 0 | 0 | 0 | 107.6 | E114 | T112-E114 PolarHBondContact O-N 3.34Š|
| 113 | N | 30.6 | Very low | 30.2 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -69.3 | 85.3 | 161.8 | -83.7 | -32.7 | 0 | 0 | 0 | 107.7 | N111 L115 | N111-N113 PolarHBondContact O-N 2.75Å; N113-L115 PolarHBondContact O-N 2.83Å |
| 114 | E | 31 | Very low | 30.4 | Very low | 174 Ų | 174 | 151 Ų | 151 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | -65 | 115 | 167.5 | -76.5 | 180 | 163.5 | 0 | 0 | 108.9 | T112 C116 | T112-E114 PolarHBondContact O-N 3.34Å; E114-C116 PolarHBondContact O-N 3.34Å |
| 115 | L | 29.1 | Very low | 30.3 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -71.8 | 99.2 | 177.5 | -162.2 | 78.7 | 0 | 0 | 0 | 108.5 | N113 I117 | N113-L115 PolarHBondContact O-N 2.83Å; L115-I117 PolarHBondContact O-N 3.35Å; L115-I117 VanDerWaalsContact O-N 3.11Å |
| 116 | C | 27.2 | Very low | 30.4 | Very low | 103 Ų | 103 | 151.1 Ų | 151.1 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | | | trans | -66 | 101.8 | -179.6 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | E114 | E114-C116 PolarHBondContact O-N 3.34Š|
| 117 | I | 33.7 | Very low | 30.5 | Very low | 148 Ų | 148 | 150 Ų | 150 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | -94.9 | 106.8 | 167.6 | -53.6 | 177.9 | 0 | 0 | 0 | 107.2 | L115 E119 | L115-I117 PolarHBondContact O-N 3.35Å; L115-I117 VanDerWaalsContact O-N 3.11Å; I117-E119 PolarHBondContact O-N 3.21Å; I117-E119 VanDerWaalsContact O-N 3.11Å |
| 118 | N | 29.5 | Very low | 30.3 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | trans | -74 | 91.6 | 179.7 | -71.5 | -57.6 | 0 | 0 | 0 | 110.8 | | |
| 119 | E | 29.5 | Very low | 30.5 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | -94.4 | 111.2 | 170.4 | -145.3 | 170.5 | -160.3 | 0 | 0 | 110.3 | I117 I121 | I117-E119 PolarHBondContact O-N 3.21Å; I117-E119 VanDerWaalsContact O-N 3.11Å; E119-I121 PolarHBondContact O-N 2.88Å |
| 120 | K | 30.3 | Very low | 30.4 | Very low | 207 Ų | 207 | 149.7 Ų | 149.7 | 90% | 0.9 | 77% | 0.767 | S | S | * | * | | | trans | -73.1 | 89.3 | 177.2 | -89.9 | 178.5 | 173.5 | 172.6 | 0 | 109.7 | K122 | K120-K122 PolarHBondContact O-N 2.79Š|
| 121 | I | 29.6 | Very low | 30.6 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | | | trans | -75.8 | 107.1 | 166.2 | -55.8 | 174.4 | 0 | 0 | 0 | 107.6 | E119 S123 | E119-I121 PolarHBondContact O-N 2.88Å; I121-S123 PolarHBondContact O-N 2.75Å |
| 122 | K | 31.3 | Very low | 30.8 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | trans | -75.1 | 98.9 | 166.2 | -81.7 | -178.9 | 177 | 177.8 | 0 | 108 | K120 H124 | K120-K122 PolarHBondContact O-N 2.79Å; K122-H124 PolarHBondContact O-N 3.44Å |
| 123 | S | 29.8 | Very low | 31 | Very low | 88 Ų | 88 | 152.4 Ų | 152.4 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | | | trans | -74.1 | 116.6 | 169.9 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | I121 N125 | I121-S123 PolarHBondContact O-N 2.75Å; S123-N125 PolarHBondContact O-N 2.82Å |
| 124 | H | 32.8 | Very low | 30.9 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | trans | -90.1 | 85.7 | 163.8 | -81.6 | -76.2 | 0 | 0 | 0 | 108.3 | K122 N126 | K122-H124 PolarHBondContact O-N 3.44Å; H124-N126 PolarHBondContact O-N 3.29Å |
| 125 | N | 29.1 | Very low | 31.1 | Very low | 132 Ų | 132 | 151 Ų | 151 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -81.5 | 98.5 | 168.6 | -76.7 | -10.1 | 0 | 0 | 0 | 109 | S123 | S123-N125 PolarHBondContact O-N 2.82Š|
| 126 | N | 34.2 | Very low | 31.4 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -130 | 73.3 | 158.5 | -90.5 | -10.5 | 0 | 0 | 0 | 107.6 | H124 T128 | H124-N126 PolarHBondContact O-N 3.29Å; N126-T128 PolarHBondContact O-N 3.49Å |
| 127 | I | 29.8 | Very low | 31.6 | Very low | 146 Ų | 146 | 155 Ų | 155 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | | | trans | -76.1 | 107.5 | 163.5 | -66.7 | 171 | 0 | 0 | 0 | 105.3 | | |
| 128 | T | 31.4 | Very low | 31.7 | Very low | 101 Ų | 101 | 154.5 Ų | 154.5 | 62% | 0.62 | 78% | 0.78 | S | S | * | * | | | trans | -90.9 | 102.3 | 174 | -50.4 | 0 | 0 | 0 | 0 | 106.2 | N126 F130 | N126-T128 PolarHBondContact O-N 3.49Å; T128-F130 HydrophobicContact CG2-CD2 4.15Å; T128-F130 HydrophobicContact CG2-CE2 3.85Å; T128-F130 PolarHBondContact O-N 3.42Å |
| 129 | D | 32.3 | Very low | 31.6 | Very low | 145 Ų | 145 | 156.8 Ų | 156.8 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | | | trans | -64.8 | 100.8 | 173.6 | -71.5 | -31.9 | 0 | 0 | 0 | 109 | Q131 | D129-Q131 PolarHBondContact O-N 3.37Š|
| 130 | F | 30.5 | Very low | 31.6 | Very low | 183 Ų | 183 | 156 Ų | 156 | 80% | 0.803 | 78% | 0.784 | S | S | * | * | | | trans | -80.8 | 101 | 168.6 | -87.6 | -88.3 | 0 | 0 | 0 | 108.7 | T128 M132 | T128-F130 HydrophobicContact CG2-CD2 4.15Å; T128-F130 HydrophobicContact CG2-CE2 3.85Å; T128-F130 PolarHBondContact O-N 3.42Å; F130-M132 PolarHBondContact O-N 3.4Å |
| 131 | Q | 32.6 | Very low | 31.7 | Very low | 179 Ų | 179 | 152.7 Ų | 152.7 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -69.8 | 115.1 | 170.7 | -121.5 | 166.8 | -1.7 | 0 | 0 | 109 | D129 N133 | D129-Q131 PolarHBondContact O-N 3.37Å; Q131-N133 PolarHBondContact O-N 3.01Å |
| 132 | M | 31.8 | Very low | 31.6 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 82% | 0.823 | 78% | 0.78 | S | S | * | * | | | trans | -63.4 | 113.6 | 171.3 | -66.3 | -75.7 | -169 | 0 | 0 | 108.6 | F130 | F130-M132 PolarHBondContact O-N 3.4Š|
| 133 | N | 35 | Very low | 31.6 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | trans | -91.7 | 94.3 | 164.9 | -70 | -37.5 | 0 | 0 | 0 | 107.1 | Q131 D135 | Q131-N133 PolarHBondContact O-N 3.01Å; N133-D135 PolarHBondContact O-N 3.2Å |
| 134 | D | 29.5 | Very low | 31.4 | Very low | 143 Ų | 143 | 154.4 Ų | 154.4 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | | | trans | -78.2 | 99.6 | 162.1 | -70.8 | -35.1 | 0 | 0 | 0 | 107.1 | | |
| 135 | D | 34 | Very low | 31.3 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | -156.1 | 127.5 | 163.7 | -92.9 | -30.1 | 0 | 0 | 0 | 111.5 | N133 | N133-D135 PolarHBondContact O-N 3.2Š|
| 136 | E | 35 | Very low | 31.2 | Very low | 159 Ų | 159 | 154 Ų | 154 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | 85.1 | 86.7 | 156.6 | -59.8 | -65.2 | 153.2 | 0 | 0 | 119.5 | T138 | E136-T138 PolarHBondContact O-N 3.23Š|
| 137 | E | 32.3 | Very low | 31 | Very low | 184 Ų | 184 | 151.6 Ų | 151.6 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | -42.6 | 99.3 | 147.4 | -67.1 | -176.9 | 142.1 | 0 | 0 | 112.4 | K139 | E137-K139 PolarHBondContact O-N 2.82Š|
| 138 | T | 34.7 | Very low | 30.9 | Very low | 138 Ų | 138 | 150.4 Ų | 150.4 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | | | trans | -96.5 | 76.2 | 161.6 | 35.2 | 0 | 0 | 0 | 0 | 110 | E136 | E136-T138 PolarHBondContact O-N 3.23Š|
| 139 | K | 29 | Very low | 30.9 | Very low | 191 Ų | 191 | 152 Ų | 152 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | trans | -56.9 | 127 | 153.6 | -140.6 | 173.5 | -169 | 167.5 | 0 | 106.8 | E137 | E137-K139 PolarHBondContact O-N 2.82Š|
| 140 | L | 29.6 | Very low | 30.9 | Very low | 151 Ų | 151 | 155.7 Ų | 155.7 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | 178.7 | 122.1 | 143.3 | -92.6 | 169.7 | 0 | 0 | 0 | 111.4 | | |
| 141 | N | 32 | Very low | 30.7 | Very low | 138 Ų | 138 | 152.2 Ų | 152.2 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | | | trans | 82.6 | 94.7 | 144.4 | -57.8 | -16.9 | 0 | 0 | 0 | 120.2 | | |
| 142 | L | 27.3 | Very low | 30.8 | Very low | 157 Ų | 157 | 151.5 Ų | 151.5 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -41.1 | 128.1 | 139.1 | -85.4 | 72.1 | 0 | 0 | 0 | 111.5 | | |
| 143 | E | 31.6 | Very low | 30.6 | Very low | 188 Ų | 188 | 152.2 Ų | 152.2 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | trans | -114.6 | 92.7 | 146.8 | -83.8 | -174.8 | 161.1 | 0 | 0 | 107.8 | | |
| 144 | C | 24.7 | Very low | 30.5 | Very low | 109 Ų | 109 | 154.3 Ų | 154.3 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | trans | -79.8 | 110.5 | 160.9 | -88 | 0 | 0 | 0 | 0 | 107.7 | E146 | C144-E146 PolarHBondContact O-N 2.97Š|
| 145 | S | 32 | Very low | 30.5 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -81.9 | 105.2 | 168.5 | -14.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 146 | E | 26.5 | Very low | 30.2 | Very low | 186 Ų | 186 | 152.4 Ų | 152.4 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | | | trans | -73.6 | 131.3 | 163.5 | -66.5 | 176 | 154.5 | 0 | 0 | 110.1 | C144 | C144-E146 PolarHBondContact O-N 2.97Š|
| 147 | S | 30.2 | Very low | 30 | Very low | 101 Ų | 101 | 151.3 Ų | 151.3 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | | | trans | -177.6 | 101.4 | 146.7 | 36.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 148 | T | 27.3 | Very low | 29.8 | Very low | 120 Ų | 120 | 148 Ų | 148 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | | | | 75.4 | 123.4 | 88 | 52 | 0 | 0 | 0 | 0 | 115.7 | | |
| 149 | N | 30.8 | Very low | 29.7 | Very low | 136 Ų | 136 | 150.4 Ų | 150.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | 75.8 | 105.6 | 152.5 | -56 | -30.2 | 0 | 0 | 0 | 117.4 | | |
| 150 | Y | 32.8 | Very low | 29.9 | Very low | 222 Ų | 222 | 150.3 Ų | 150.3 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | | | | -158.4 | 114.5 | 97.4 | -105.5 | -84.5 | 0 | 0 | 0 | 108.9 | | |
| 151 | C | 25.5 | Very low | 29.9 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | trans | -81.3 | 123.4 | 162.4 | -66.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 152 | D | 34.3 | Very low | 29.9 | Very low | 163 Ų | 163 | 154.5 Ų | 154.5 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | | | trans | -129 | 120.9 | 145.6 | -85.6 | -39.9 | 0 | 0 | 0 | 107.7 | | |
| 153 | Q | 28.9 | Very low | 30.1 | Very low | 182 Ų | 182 | 155.7 Ų | 155.7 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -120.4 | 101.1 | -168 | -172.8 | 173.3 | 37.6 | 0 | 0 | 105.5 | | |
| 154 | E | 33.1 | Very low | 30.1 | Very low | 197 Ų | 197 | 154.9 Ų | 154.9 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | | | trans | -123.5 | 123 | 161.2 | -81.5 | -159.5 | 160.1 | 0 | 0 | 110.2 | | |
| 155 | P | 30.1 | Very low | 30.5 | Very low | 100 Ų | 100 | 154.6 Ų | 154.6 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | | | trans | -98 | 147.5 | -178.8 | 35.7 | -30.6 | 0 | 0 | 0 | 113 | | |
| 156 | N | 27 | Very low | 30.5 | Very low | 151 Ų | 151 | 158 Ų | 158 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | | | trans | 64.1 | 105 | 150.8 | -61.3 | -26.2 | 0 | 0 | 0 | 118.9 | | |
| 157 | T | 31 | Very low | 30.8 | Very low | 136 Ų | 136 | 157.7 Ų | 157.7 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | | -143 | 103 | 126 | 46.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 158 | S | 26.6 | Very low | 30.9 | Very low | 115 Ų | 115 | 161.4 Ų | 161.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -73.2 | 114.7 | 158.7 | 153.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 159 | K | 34 | Very low | 30.9 | Very low | 189 Ų | 189 | 165.2 Ų | 165.2 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | | | trans | -132.2 | 107 | 164.5 | -90.6 | -173.8 | 178.5 | 178.9 | 0 | 108.9 | | |
| 160 | F | 33.4 | Very low | 30.9 | Very low | 189 Ų | 189 | 166.9 Ų | 166.9 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | | | trans | 16 | 122.2 | 148.8 | -83.7 | -94.3 | 0 | 0 | 0 | 118.6 | E162 | F160-E162 PolarHBondContact O-N 2.92Š|
| 161 | F | 29.3 | Very low | 30.9 | Very low | 198 Ų | 198 | 162.4 Ų | 162.4 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | | | trans | -43.9 | 113.8 | 151.8 | -78.8 | -100.8 | 0 | 0 | 0 | 111.1 | | |
| 162 | E | 32 | Very low | 31.2 | Very low | 179 Ų | 179 | 163.3 Ų | 163.3 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | | | trans | -93.1 | 123.6 | 153.6 | -85.2 | -179.9 | 164.8 | 0 | 0 | 107.3 | F160 I164 | F160-E162 PolarHBondContact O-N 2.92Å; E162-I164 PolarHBondContact O-N 3.09Å |
| 163 | H | 30.8 | Very low | 31.1 | Very low | 182 Ų | 182 | 160.2 Ų | 160.2 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | | | trans | -60.1 | 123.8 | 174.8 | -76 | -92.9 | 0 | 0 | 0 | 109.4 | S165 | H163-S165 PolarHBondContact O-N 2.85Å; H163-S165 VanDerWaalsContact O-N 3.13Å |
| 164 | I | 31.9 | Very low | 31.3 | Very low | 171 Ų | 171 | 158.9 Ų | 158.9 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | | | trans | -70.2 | 105.6 | 170.6 | -60.2 | 166.7 | 0 | 0 | 0 | 105.9 | E162 | E162-I164 PolarHBondContact O-N 3.09Š|
| 165 | S | 33.7 | Very low | 31.2 | Very low | 103 Ų | 103 | 156.6 Ų | 156.6 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | | | trans | -65.7 | 132.9 | 173.4 | 49.5 | 0 | 0 | 0 | 0 | 110 | H163 E167 | H163-S165 PolarHBondContact O-N 2.85Å; H163-S165 VanDerWaalsContact O-N 3.13Å; S165-E167 PolarHBondContact O-N 2.8Å |
| 166 | E | 31.4 | Very low | 31.2 | Very low | 189 Ų | 189 | 157.3 Ų | 157.3 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | trans | -55.4 | 123.9 | 170.8 | -69.2 | 170.4 | 162.1 | 0 | 0 | 110.1 | E168 | E166-E168 PolarHBondContact O-N 2.84Å; E166-E168 VanDerWaalsContact O-N 3.14Å |
| 167 | E | 32.3 | Very low | 31.5 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | | | trans | -77.6 | 94.4 | 178.1 | -161.3 | 169 | -163.3 | 0 | 0 | 107.7 | S165 F169 | S165-E167 PolarHBondContact O-N 2.8Å; E167-F169 PolarHBondContact O-N 2.77Å; E167-F169 VanDerWaalsContact O-N 3.12Å |
| 168 | E | 32 | Very low | 31.6 | Very low | 180 Ų | 180 | 160.3 Ų | 160.3 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | | | trans | -59.2 | 110.8 | 167.2 | -86.5 | -177.1 | 145.4 | 0 | 0 | 108.8 | E166 E170 | E166-E168 PolarHBondContact O-N 2.84Å; E166-E168 VanDerWaalsContact O-N 3.14Å; E168-E170 PolarHBondContact O-N 2.98Å |
| 169 | F | 29.2 | Very low | 32.1 | Very low | 200 Ų | 200 | 162.4 Ų | 162.4 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | | | trans | -63.2 | 99.2 | 168.3 | -93.6 | -95 | 0 | 0 | 0 | 109.3 | E167 P171 | E167-F169 PolarHBondContact O-N 2.77Å; E167-F169 VanDerWaalsContact O-N 3.12Å; F169-P171 VanDerWaalsContact O-CD 3.27Å; F169-P171 WeakPolarHBondContact O-CD 3.4Å |
| 170 | E | 30 | Very low | 32 | Very low | 171 Ų | 171 | 161 Ų | 161 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | | | trans | -70.2 | 116.9 | 164.2 | -77.4 | -167.7 | 159.9 | 0 | 0 | 109.7 | E168 T172 | E168-E170 PolarHBondContact O-N 2.98Å; E170-T172 PolarHBondContact O-N 3.42Å; E170-T172 VanDerWaalsContact O-N 3.09Å |
| 171 | P | 33 | Very low | 32.1 | Very low | 127 Ų | 127 | 161.7 Ų | 161.7 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | -70.6 | 108.9 | 172 | 27.9 | -30.4 | 0 | 0 | 0 | 108.7 | F169 A173 | F169-P171 VanDerWaalsContact O-CD 3.27Å; F169-P171 WeakPolarHBondContact O-CD 3.4Å; P171-A173 PolarHBondContact O-N 3.27Å; P171-A173 VanDerWaalsContact O-N 3.11Å |
| 172 | T | 31.5 | Very low | 32.2 | Very low | 129 Ų | 129 | 158.2 Ų | 158.2 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | | | trans | -60.5 | 114.3 | 179.1 | -37.3 | 0 | 0 | 0 | 0 | 109.7 | E170 L174 | E170-T172 PolarHBondContact O-N 3.42Å; E170-T172 VanDerWaalsContact O-N 3.09Å; T172-L174 PolarHBondContact O-N 3.08Å |
| 173 | A | 32.2 | Very low | 32.3 | Very low | 98 Ų | 98 | 157.6 Ų | 157.6 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | | | trans | -61.3 | 97.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P171 I175 | P171-A173 PolarHBondContact O-N 3.27Å; P171-A173 VanDerWaalsContact O-N 3.11Å; A173-I175 PolarHBondContact O-N 2.92Å |
| 174 | L | 32.4 | Very low | 32.3 | Very low | 155 Ų | 155 | 154.9 Ų | 154.9 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | | | trans | -77.1 | 98.4 | 168.8 | -87 | 163.2 | 0 | 0 | 0 | 109.6 | T172 | T172-L174 PolarHBondContact O-N 3.08Š|
| 175 | I | 32.3 | Very low | 32.4 | Very low | 149 Ų | 149 | 156.8 Ų | 156.8 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | | | trans | 48.3 | 108.6 | 134.5 | -51.9 | 175.9 | 0 | 0 | 0 | 116.6 | A173 | A173-I175 PolarHBondContact O-N 2.92Š|
| 176 | T | 29.8 | Very low | 32.4 | Very low | 115 Ų | 115 | 159.3 Ų | 159.3 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | | | trans | -64.1 | 160.7 | 166.2 | 41.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 177 | D | 33.6 | Very low | 32.4 | Very low | 138 Ų | 138 | 158.2 Ų | 158.2 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | | | trans | 85.1 | 86.7 | 150.1 | -53 | -31.1 | 0 | 0 | 0 | 119.8 | | |
| 178 | F | 33.3 | Very low | 32.4 | Very low | 211 Ų | 211 | 157.9 Ų | 157.9 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | -134.3 | 84.9 | 144 | -98 | -86.9 | 0 | 0 | 0 | 108.8 | | |
| 179 | N | 35.4 | Very low | 32.5 | Very low | 160 Ų | 160 | 155.7 Ų | 155.7 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | | | trans | -147.6 | 69.1 | 168.8 | -93.4 | -24 | 0 | 0 | 0 | 109.6 | | |
| 180 | D | 33.5 | Very low | 32.7 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | -112.3 | 82.3 | 164.8 | -90.9 | -20.1 | 0 | 0 | 0 | 108.6 | | |
| 181 | F | 35.1 | Very low | 33.1 | Very low | 205 Ų | 205 | 151.5 Ų | 151.5 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | | | trans | -114.4 | 100.4 | 154.4 | -88.3 | -80.1 | 0 | 0 | 0 | 108.2 | E183 | F181-E183 PolarHBondContact O-N 2.64Š|
| 182 | T | 29.9 | Very low | 33.1 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | | | trans | -53.7 | 106.2 | 169.4 | 40.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 183 | E | 33.9 | Very low | 33.3 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -100.7 | 106.3 | 154.7 | -74.1 | -166.6 | 173.3 | 0 | 0 | 108.8 | F181 Y185 | F181-E183 PolarHBondContact O-N 2.64Å; E183-Y185 PolarHBondContact O-N 3.34Å |
| 184 | V | 32.9 | Very low | 33.2 | Very low | 124 Ų | 124 | 154.8 Ų | 154.8 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | -71.8 | 103.3 | 177.8 | 176.3 | 0 | 0 | 0 | 0 | 107.9 | I186 | V184-I186 PolarHBondContact O-N 3.01Š|
| 185 | Y | 32.5 | Very low | 33.3 | Very low | 211 Ų | 211 | 156.2 Ų | 156.2 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | -65.3 | 112 | 167.4 | -80.3 | -89.8 | 0 | 0 | 0 | 109.1 | E183 E187 | E183-Y185 PolarHBondContact O-N 3.34Å; Y185-E187 PolarHBondContact O-N 2.86Å |
| 186 | I | 33.5 | Very low | 33.3 | Very low | 157 Ų | 157 | 153.6 Ų | 153.6 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | trans | -78.1 | 109.9 | 167 | -62.2 | 175.6 | 0 | 0 | 0 | 106.9 | V184 E188 | V184-I186 PolarHBondContact O-N 3.01Å; I186-E188 PolarHBondContact O-N 2.96Å; I186-E188 VanDerWaalsContact O-N 3.17Å |
| 187 | E | 31.4 | Very low | 33.2 | Very low | 166 Ų | 166 | 156.4 Ų | 156.4 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -69.6 | 95.7 | 177.9 | -161.2 | 170.6 | -152.5 | 0 | 0 | 109.7 | Y185 N189 | Y185-E187 PolarHBondContact O-N 2.86Å; E187-N189 PolarHBondContact O-N 2.92Å; E187-N189 PolarHBondContact O-ND2 3.39Å |
| 188 | E | 33.7 | Very low | 33.2 | Very low | 170 Ų | 170 | 156.8 Ų | 156.8 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -79.8 | 98.3 | 174.4 | -163.2 | 169.7 | -169.9 | 0 | 0 | 109.5 | I186 H190 | I186-E188 PolarHBondContact O-N 2.96Å; I186-E188 VanDerWaalsContact O-N 3.17Å; E188-H190 PolarHBondContact O-N 2.71Å |
| 189 | N | 34.1 | Very low | 32.9 | Very low | 135 Ų | 135 | 154.5 Ų | 154.5 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | trans | -64.9 | 107.2 | 178.8 | -74.4 | -83.2 | 0 | 0 | 0 | 111.1 | E187 P191 | E187-N189 PolarHBondContact O-N 2.92Å; E187-N189 PolarHBondContact O-ND2 3.39Å; N189-P191 WeakPolarHBondContact O-CD 3.4Å |
| 190 | H | 33.2 | Very low | 32.5 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 122.2 | 163.4 | -79.8 | -66.7 | 0 | 0 | 0 | 110.7 | E188 | E188-H190 PolarHBondContact O-N 2.71Š|
| 191 | P | 37.5 | Very low | 32.5 | Very low | 111 Ų | 111 | 151.7 Ų | 151.7 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 141.8 | 171.6 | 30 | -31.2 | 0 | 0 | 0 | 111.2 | N189 | N189-P191 WeakPolarHBondContact O-CD 3.4Š|
| 192 | P | 34.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 124.8 | 179.3 | 31.4 | -31 | 0 | 0 | 0 | 109.8 | | |
| 193 | N | 34.6 | Very low | 32.6 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | | | trans | -101.3 | 109.4 | 173.1 | -150.8 | 9.7 | 0 | 0 | 0 | 109.6 | | |
| 194 | D | 29.5 | Very low | 32.4 | Very low | 131 Ų | 131 | 149 Ų | 149 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -63.6 | 154.7 | 173.2 | -72.6 | -44.7 | 0 | 0 | 0 | 112.8 | | |
| 195 | K | 35.1 | Very low | 32.6 | Very low | 185 Ų | 185 | 150 Ų | 150 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 121.3 | 98.1 | 143.9 | -73 | 157.4 | -172.2 | 178.8 | 0 | 117.3 | | |
| 196 | S | 32.4 | Very low | 32.5 | Very low | 95 Ų | 95 | 148 Ų | 148 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | | | | 55.7 | 113.7 | 118.9 | 66 | 0 | 0 | 0 | 0 | 120.1 | | |
| 197 | E | 27.3 | Very low | 32.3 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | | 34.8 | 116.3 | 125 | -69.4 | 177.3 | 162.7 | 0 | 0 | 118.5 | | |
| 198 | T | 34.1 | Very low | 32.3 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | | | trans | -148.1 | 103.5 | 142.5 | -4.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 199 | H | 27.2 | Very low | 32.2 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | | | trans | -74.4 | 161.3 | 161.9 | -76.1 | -84.7 | 0 | 0 | 0 | 110.2 | | |
| 200 | S | 27.2 | Very low | 32.3 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | 98 | 108.5 | 164.8 | -38.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 201 | N | 33.2 | Very low | 32 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | | -170.2 | 113.5 | 101 | -81.5 | -26.1 | 0 | 0 | 0 | 110 | | |
| 202 | I | 29.7 | Very low | 31.9 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | -81.4 | 120.4 | 159 | -65.9 | 163.8 | 0 | 0 | 0 | 105.6 | | |
| 203 | I | 36.5 | Very low | 31.7 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | | | trans | -139.9 | 113.4 | 154.1 | -62.9 | -174.7 | 0 | 0 | 0 | 107.1 | | |
| 204 | D | 29.7 | Very low | 31.3 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | trans | -54.4 | 138.7 | 161.5 | -77.1 | -50.5 | 0 | 0 | 0 | 110.9 | | |
| 205 | D | 37.7 | Very low | 31.4 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | trans | -150.3 | 100.5 | 150.2 | -89.5 | -34.2 | 0 | 0 | 0 | 110.5 | | |
| 206 | Q | 31 | Very low | 31.1 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | 44.2 | 114.2 | 135 | -71.9 | -178.1 | -11.6 | 0 | 0 | 121.5 | | |
| 207 | E | 29.1 | Very low | 31.1 | Very low | 193 Ų | 193 | 146.4 Ų | 146.4 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | | 37.3 | 115 | 119.1 | -67.4 | -176.7 | 169.8 | 0 | 0 | 119 | | |
| 208 | G | 31.7 | Very low | 31.2 | Very low | 78 Ų | 78 | 145 Ų | 145 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -160.1 | 60 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S210 | G208-S210 PolarHBondContact O-N 3.13Š|
| 209 | E | 31.3 | Very low | 30.8 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -77 | 110.8 | 166.9 | -68.9 | -175.3 | 175.8 | 0 | 0 | 109.4 | | |
| 210 | S | 35.3 | Very low | 31 | Very low | 103 Ų | 103 | 146.9 Ų | 146.9 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | | | trans | -123.8 | 100.6 | 165.7 | 68.4 | 0 | 0 | 0 | 0 | 110.2 | G208 | G208-S210 PolarHBondContact O-N 3.13Š|
| 211 | N | 28.1 | Very low | 30.9 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -72.3 | 116.1 | 165.9 | -75.1 | -39.2 | 0 | 0 | 0 | 109.8 | | |
| 212 | I | 34.2 | Very low | 30.7 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | trans | -135.8 | 128.1 | 159.8 | -52.9 | 178.1 | 0 | 0 | 0 | 109.8 | | |
| 213 | N | 30.4 | Very low | 30.7 | Very low | 140 Ų | 140 | 149.3 Ų | 149.3 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | | | trans | -66.5 | 148.6 | -173.9 | -70.7 | -46.2 | 0 | 0 | 0 | 115.1 | | |
| 214 | T | 26.6 | Very low | 30.4 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | | | trans | 48.6 | 99.9 | 130.1 | -42.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 215 | A | 32.4 | Very low | 30.6 | Very low | 92 Ų | 92 | 150.5 Ų | 150.5 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | | | trans | -139.5 | 98 | 151.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L217 | A215-L217 PolarHBondContact O-N 2.7Š|
| 216 | K | 28 | Very low | 30.1 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | | | trans | -66.2 | 108.1 | 166.2 | -165.2 | -178.6 | -172.9 | -174.9 | 0 | 107.4 | | |
| 217 | L | 31.8 | Very low | 30.1 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | | | trans | -122.1 | 100.1 | 172.2 | -94.4 | 163.1 | 0 | 0 | 0 | 109.2 | A215 | A215-L217 PolarHBondContact O-N 2.7Š|
| 218 | E | 29.4 | Very low | 30.4 | Very low | 144 Ų | 144 | 150 Ų | 150 | 67% | 0.673 | 81% | 0.806 | S | S | * | * | | | trans | -75.1 | 139.1 | 168.3 | -73.3 | 170.9 | 179.8 | 0 | 0 | 110.2 | | |
| 219 | Y | 26.1 | Very low | 30.3 | Very low | 224 Ų | 224 | 152 Ų | 152 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | | | trans | 46.8 | 110.9 | 147.4 | -83.9 | -97.1 | 0 | 0 | 0 | 119.8 | | |
| 220 | S | 31.2 | Very low | 30.5 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -157.2 | 126.6 | 135.4 | 0.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 221 | G | 26.3 | Very low | 30.2 | Very low | 67 Ų | 67 | 152 Ų | 152 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | trans | -78.5 | 169.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 222 | I | 28 | Very low | 30.5 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | 59.8 | 96.3 | 147.2 | -45.4 | 171.2 | 0 | 0 | 0 | 115.3 | | |
| 223 | R | 29.2 | Very low | 30.4 | Very low | 244 Ų | 244 | 150.1 Ų | 150.1 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -133.7 | 104.1 | 141.4 | -81.3 | -171.4 | 175.1 | 179.3 | -1.8 | 109.4 | S225 | R223-S225 PolarHBondContact O-N 2.88Å; R223-S225 VanDerWaalsContact O-N 3.07Å |
| 224 | E | 30 | Very low | 30.4 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -59.1 | 98.7 | 154.5 | -70.2 | 175 | 152.5 | 0 | 0 | 107.7 | K226 | E224-K226 PolarHBondContact O-N 3.22Š|
| 225 | S | 34.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -80.9 | 97 | 166.7 | 48 | 0 | 0 | 0 | 0 | 108.6 | R223 | R223-S225 PolarHBondContact O-N 2.88Å; R223-S225 VanDerWaalsContact O-N 3.07Å |
| 226 | K | 27.9 | Very low | 30.3 | Very low | 179 Ų | 179 | 155.3 Ų | 155.3 | 78% | 0.778 | 80% | 0.8 | S | S | * | * | | | trans | -56.9 | 152.7 | 154 | -156.7 | 130.2 | 177.3 | 170.1 | 0 | 109.5 | E224 | E224-K226 PolarHBondContact O-N 3.22Š|
| 227 | D | 31.2 | Very low | 30.2 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 68% | 0.684 | 80% | 0.801 | S | S | * | * | | | trans | 84.6 | 92.5 | 166.2 | -48.6 | -30.4 | 0 | 0 | 0 | 116.8 | | |
| 228 | M | 35.1 | Very low | 30 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | | | trans | -141.1 | 109 | 130.7 | -86.6 | -98.8 | 89.1 | 0 | 0 | 107.2 | | |
| 229 | I | 29.9 | Very low | 30 | Very low | 120 Ų | 120 | 147 Ų | 147 | 62% | 0.615 | 80% | 0.801 | S | S | * | * | | | trans | -78.4 | 122.5 | 172.9 | -66.8 | 159 | 0 | 0 | 0 | 106.3 | D231 | I229-D231 HydrophobicContact CG2-CB 4.27Å; I229-D231 WeakPolarHBondContact CG2-OD2 3.41Å |
| 230 | D | 34 | Very low | 30 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -123.2 | 91 | 155.8 | -109.1 | -23.2 | 0 | 0 | 0 | 107.7 | H232 | D230-H232 PolarHBondContact O-N 2.61Š|
| 231 | D | 29.2 | Very low | 30 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | | | trans | -79.2 | 91.9 | 169.2 | -81.4 | -37 | 0 | 0 | 0 | 108.6 | I229 | I229-D231 HydrophobicContact CG2-CB 4.27Å; I229-D231 WeakPolarHBondContact CG2-OD2 3.41Å |
| 232 | H | 36.2 | Very low | 30.2 | Very low | 165 Ų | 165 | 146 Ų | 146 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | | | trans | -141.1 | 102.2 | 161.1 | -78.9 | -54.2 | 0 | 0 | 0 | 112.6 | D230 | D230-H232 PolarHBondContact O-N 2.61Š|
| 233 | S | 30.6 | Very low | 30.4 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | 85.6 | 142.2 | 144.3 | -61.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 234 | P | 30.6 | Very low | 30.7 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -98.5 | 159.5 | -149.5 | 6.8 | 15.6 | 0 | 0 | 0 | 113 | E236 | P234-E236 PolarHBondContact O-N 3.41Å; P234-E236 VanDerWaalsContact O-N 3.14Å |
| 235 | L | 27 | Very low | 30.8 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | trans | -39.6 | 112.4 | 163 | -82 | 79.5 | 0 | 0 | 0 | 112.3 | | |
| 236 | E | 30.4 | Very low | 30.8 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -102.2 | 99.5 | 146.8 | -75.3 | -164.7 | 166.8 | 0 | 0 | 107.9 | P234 T238 | P234-E236 PolarHBondContact O-N 3.41Å; P234-E236 VanDerWaalsContact O-N 3.14Å; E236-T238 VanDerWaalsContact C-N 3.29Å; E236-T238 PolarHBondContact O-N 3.32Å |
| 237 | G | 26 | Very low | 31.1 | Very low | 76 Ų | 76 | 141.5 Ų | 141.5 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | -69.4 | 88.9 | 166 | 0 | 0 | 0 | 0 | 0 | 109.1 | S239 | G237-S239 PolarHBondContact O-N 3.2Š|
| 238 | T | 28.5 | Very low | 31.2 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | | | trans | -77.8 | 113.3 | 166.5 | 41.1 | 0 | 0 | 0 | 0 | 109.4 | E236 | E236-T238 VanDerWaalsContact C-N 3.29Å; E236-T238 PolarHBondContact O-N 3.32Å |
| 239 | S | 28.9 | Very low | 31.4 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -27.1 | 130.1 | 173 | -52.2 | 0 | 0 | 0 | 0 | 116 | G237 S241 | G237-S239 PolarHBondContact O-N 3.2Å; S239-S241 PolarHBondContact O-N 3.42Å |
| 240 | L | 26.4 | Very low | 31.5 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | | | trans | -52.2 | 104.5 | 156.1 | -70.2 | 163.7 | 0 | 0 | 0 | 109 | S242 | L240-S242 PolarHBondContact O-N 3.12Š|
| 241 | S | 30.6 | Very low | 31.6 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -76.3 | 108.7 | 163.4 | 58.8 | 0 | 0 | 0 | 0 | 108.1 | S239 V243 | S239-S241 PolarHBondContact O-N 3.42Å; S241-V243 PolarHBondContact O-N 3.36Å; S241-V243 VanDerWaalsContact O-N 3.11Å |
| 242 | S | 30.4 | Very low | 31.7 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -45.6 | 105.2 | 169.2 | 23.2 | 0 | 0 | 0 | 0 | 111.9 | L240 K244 | L240-S242 PolarHBondContact O-N 3.12Å; S242-K244 PolarHBondContact O-N 2.98Å |
| 243 | V | 32.2 | Very low | 31.4 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -71.1 | 113.1 | 163.9 | 174.6 | 0 | 0 | 0 | 0 | 106.9 | S241 I245 | S241-V243 PolarHBondContact O-N 3.36Å; S241-V243 VanDerWaalsContact O-N 3.11Å; V243-I245 PolarHBondContact O-N 3.48Å |
| 244 | K | 34.4 | Very low | 31.4 | Very low | 180 Ų | 180 | 147 Ų | 147 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | -60 | 116.5 | 178.9 | -67.1 | 175.7 | 177.7 | 179.2 | 0 | 109.1 | S242 | S242-K244 PolarHBondContact O-N 2.98Š|
| 245 | I | 32.9 | Very low | 31.6 | Very low | 158 Ų | 158 | 147.8 Ų | 147.8 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -83.2 | 110.1 | 160.3 | -64.1 | 168.7 | 0 | 0 | 0 | 104.3 | V243 E247 | V243-I245 PolarHBondContact O-N 3.48Å; I245-E247 PolarHBondContact O-N 3.34Å |
| 246 | D | 35.5 | Very low | 31.9 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | | | trans | -63.6 | 106.1 | 172.4 | -74.3 | -35.8 | 0 | 0 | 0 | 108.3 | I248 | D246-I248 PolarHBondContact O-N 3.36Å; D246-I248 VanDerWaalsContact O-N 3.15Å |
| 247 | E | 32.9 | Very low | 31.9 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -72.8 | 99.5 | 179.6 | -166.6 | 162.5 | -161 | 0 | 0 | 108.1 | I245 D249 | I245-E247 PolarHBondContact O-N 3.34Å; E247-D249 PolarHBondContact O-N 3.27Å |
| 248 | I | 34.3 | Very low | 32 | Very low | 157 Ų | 157 | 148.6 Ų | 148.6 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | trans | -63.1 | 111.2 | 171.3 | -66 | 174.2 | 0 | 0 | 0 | 107.8 | D246 R250 | D246-I248 PolarHBondContact O-N 3.36Å; D246-I248 VanDerWaalsContact O-N 3.15Å; I248-R250 PolarHBondContact O-N 3.14Å; I248-R250 VanDerWaalsContact O-N 3.13Å |
| 249 | D | 37.6 | Very low | 32.2 | Very low | 120 Ų | 120 | 147.3 Ų | 147.3 | 64% | 0.642 | 79% | 0.794 | S | S | * | * | | | trans | -50.8 | 106.1 | -177.5 | -166.3 | -2.1 | 0 | 0 | 0 | 111.6 | E247 N251 | E247-D249 PolarHBondContact O-N 3.27Å; D249-N251 PolarHBondContact O-N 3.32Å; D249-N251 VanDerWaalsContact OD1-CB 3.27Å; D249-N251 WeakPolarHBondContact OD1-CB 3.38Å; D249-N251 VanDerWaalsContact OD1-CG 3.27Å; D249-N251 PolarHBondContact OD1-N 3.11Å; D249-N251 PolarHBondContact OD1-ND2 2.81Å |
| 250 | R | 32.7 | Very low | 32.4 | Very low | 219 Ų | 219 | 147.6 Ų | 147.6 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -84.5 | 18.7 | -176.7 | -137.8 | -176.7 | -58.7 | 177.6 | 5.2 | 112.6 | I248 K252 | I248-R250 PolarHBondContact O-N 3.14Å; I248-R250 VanDerWaalsContact O-N 3.13Å; R250-K252 PolarHBondContact O-N 3.39Å |
| 251 | N | 35.5 | Very low | 32.5 | Very low | 140 Ų | 140 | 148.5 Ų | 148.5 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 26.9 | -171.1 | -69.2 | -32.3 | 0 | 0 | 0 | 115.4 | D249 | D249-N251 PolarHBondContact O-N 3.32Å; D249-N251 VanDerWaalsContact OD1-CB 3.27Å; D249-N251 WeakPolarHBondContact OD1-CB 3.38Å; D249-N251 VanDerWaalsContact OD1-CG 3.27Å; D249-N251 PolarHBondContact OD1-N 3.11Å; D249-N251 PolarHBondContact OD1-ND2 2.81Å |
| 252 | K | 33 | Very low | 32.7 | Very low | 200 Ų | 200 | 151.1 Ų | 151.1 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | 14.9 | 174.8 | -132.5 | 179.2 | -175.7 | -178.1 | 0 | 115.8 | R250 | R250-K252 PolarHBondContact O-N 3.39Š|
| 253 | C | 28.7 | Very low | 32.9 | Very low | 122 Ų | 122 | 154 Ų | 154 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -131.1 | 51.2 | 176.8 | -70.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 254 | E | 31.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 156.1 Ų | 156.1 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | | | trans | -158.2 | 54.8 | 169.8 | -135.4 | 167.9 | -159.3 | 0 | 0 | 113.8 | | |
| 255 | T | 33.7 | Very low | 32.8 | Very low | 136 Ų | 136 | 152.5 Ų | 152.5 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | | | trans | -138.9 | 62.6 | 166.7 | 48.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 256 | V | 33.9 | Very low | 32.5 | Very low | 148 Ų | 148 | 153.5 Ų | 153.5 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | -150.4 | 73.5 | 141.5 | -169.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 257 | L | 30.9 | Very low | 32.5 | Very low | 124 Ų | 124 | 156 Ų | 156 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | | | trans | -91.2 | 126.9 | 161.5 | -80.2 | 172.1 | 0 | 0 | 0 | 108.3 | | |
| 258 | E | 27.8 | Very low | 32.3 | Very low | 173 Ų | 173 | 154.8 Ų | 154.8 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | 49.4 | 86.5 | 140.3 | -65.3 | 179.6 | 151.1 | 0 | 0 | 117.1 | | |
| 259 | A | 33 | Very low | 31.9 | Very low | 97 Ų | 97 | 153.2 Ų | 153.2 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | -147.6 | 72.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 260 | S | 33.1 | Very low | 31.5 | Very low | 116 Ų | 116 | 154.8 Ų | 154.8 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | 160.8 | 71.5 | 145.6 | 58 | 0 | 0 | 0 | 0 | 111.5 | | |
| 261 | F | 28.6 | Very low | 31.3 | Very low | 198 Ų | 198 | 150 Ų | 150 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | | | trans | -104.8 | 93.8 | 152.7 | -87.4 | -83.8 | 0 | 0 | 0 | 106.3 | | |
| 262 | D | 33.8 | Very low | 31.1 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | | | trans | -173.3 | 77.2 | 162.3 | -93.9 | -23.6 | 0 | 0 | 0 | 110.7 | | |
| 263 | H | 35.7 | Very low | 30.9 | Very low | 173 Ų | 173 | 150 Ų | 150 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | | | trans | -168.2 | 96.7 | 138.1 | -115.1 | 49 | 0 | 0 | 0 | 110.8 | T265 | H263-T265 PolarHBondContact O-N 2.87Š|
| 264 | L | 29 | Very low | 30.9 | Very low | 179 Ų | 179 | 152.6 Ų | 152.6 | 94% | 0.937 | 79% | 0.79 | S | S | * | * | | | trans | -65.1 | 119.3 | 152.4 | -85.5 | 148.5 | 0 | 0 | 0 | 107.7 | | |
| 265 | T | 35 | Very low | 31.1 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 63% | 0.632 | 79% | 0.79 | S | S | * | * | | | trans | -141.4 | 95.1 | 156.8 | -25.3 | 0 | 0 | 0 | 0 | 108.9 | H263 K267 | H263-T265 PolarHBondContact O-N 2.87Å; T265-K267 PolarHBondContact O-N 3.12Å |
| 266 | E | 27.1 | Very low | 30.9 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | | | trans | -60 | 97.1 | 168.9 | -168.4 | 174.3 | -162.7 | 0 | 0 | 108.8 | | |
| 267 | K | 35.4 | Very low | 30.9 | Very low | 195 Ų | 195 | 150.6 Ų | 150.6 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | trans | -102 | 95.6 | 167.6 | -88.6 | -172.1 | 177.7 | 179.1 | 0 | 109.8 | T265 | T265-K267 PolarHBondContact O-N 3.12Š|
| 268 | Q | 27.9 | Very low | 30.8 | Very low | 153 Ų | 153 | 152.5 Ų | 152.5 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | | | trans | -50 | 142.9 | 155.8 | -103.1 | 177.2 | 16.3 | 0 | 0 | 112.5 | | |
| 269 | I | 25.5 | Very low | 31 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | 81.5 | 100.5 | 141.9 | -59.1 | 160.9 | 0 | 0 | 0 | 117.9 | | |
| 270 | M | 30.8 | Very low | 30.9 | Very low | 152 Ų | 152 | 153 Ų | 153 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | | 169.1 | 129.7 | 106.6 | -94.5 | -70.8 | 93.5 | 0 | 0 | 110.7 | | |
| 271 | P | 28.7 | Very low | 31 | Very low | 118 Ų | 118 | 156.3 Ų | 156.3 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -76.6 | 119.2 | 170.5 | 30.9 | -28.5 | 0 | 0 | 0 | 109.5 | | |
| 272 | Q | 30.1 | Very low | 31.2 | Very low | 179 Ų | 179 | 154.8 Ų | 154.8 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | -105.7 | 116.7 | 172.3 | -91.4 | -177 | -34.9 | 0 | 0 | 110.3 | | |
| 273 | H | 28.9 | Very low | 31 | Very low | 161 Ų | 161 | 154.9 Ų | 154.9 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | | | trans | 48.7 | 109.9 | 145.2 | -75.6 | -78.6 | 0 | 0 | 0 | 119.5 | D275 | H273-D275 PolarHBondContact O-N 3.45Š|
| 274 | H | 29.3 | Very low | 30.8 | Very low | 178 Ų | 178 | 155.9 Ų | 155.9 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -49.3 | 112.6 | 142.8 | -73 | -65.7 | 0 | 0 | 0 | 109.7 | | |
| 275 | D | 34.6 | Very low | 31 | Very low | 141 Ų | 141 | 159.4 Ų | 159.4 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | | | trans | -102.4 | 115.1 | 154.6 | -76.8 | -28.6 | 0 | 0 | 0 | 107.1 | H273 V277 | H273-D275 PolarHBondContact O-N 3.45Å; D275-V277 PolarHBondContact O-N 3.22Å |
| 276 | D | 28.9 | Very low | 30.8 | Very low | 139 Ų | 139 | 159 Ų | 159 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | | | trans | -61.3 | 95.6 | 175.3 | -66.2 | -48.2 | 0 | 0 | 0 | 109.9 | H278 | D276-H278 PolarHBondContact O-N 2.99Š|
| 277 | V | 34 | Very low | 31.1 | Very low | 122 Ų | 122 | 159.3 Ų | 159.3 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | | | trans | -85.1 | 96.5 | 163.9 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | D275 L279 | D275-V277 PolarHBondContact O-N 3.22Å; V277-L279 PolarHBondContact O-N 3.31Å |
| 278 | H | 30.2 | Very low | 30.9 | Very low | 165 Ų | 165 | 158 Ų | 158 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | | | trans | -52.3 | 100 | 162.4 | -72.4 | -81.3 | 0 | 0 | 0 | 109.5 | D276 T280 | D276-H278 PolarHBondContact O-N 2.99Å; H278-T280 VanDerWaalsContact C-N 3.33Å; H278-T280 PolarHBondContact O-N 3.21Å; H278-T280 VanDerWaalsContact O-N 3.15Å |
| 279 | L | 31.2 | Very low | 31.1 | Very low | 166 Ų | 166 | 158.5 Ų | 158.5 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | trans | -76.7 | 93.2 | 161.3 | -74.7 | 165.9 | 0 | 0 | 0 | 107 | V277 E281 | V277-L279 PolarHBondContact O-N 3.31Å; L279-E281 PolarHBondContact O-N 3.1Å |
| 280 | T | 32 | Very low | 31.4 | Very low | 114 Ų | 114 | 162.4 Ų | 162.4 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | | | trans | -62.5 | 118 | 164.5 | 38.3 | 0 | 0 | 0 | 0 | 109.3 | H278 D282 | H278-T280 VanDerWaalsContact C-N 3.33Å; H278-T280 PolarHBondContact O-N 3.21Å; H278-T280 VanDerWaalsContact O-N 3.15Å; T280-D282 PolarHBondContact O-N 3.37Å |
| 281 | E | 34.4 | Very low | 31.5 | Very low | 185 Ų | 185 | 164.2 Ų | 164.2 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | | | trans | 8.4 | 91.8 | 142.4 | -66.7 | 165.4 | 173.2 | 0 | 0 | 116.1 | L279 | L279-E281 PolarHBondContact O-N 3.1Š|
| 282 | D | 33 | Very low | 31.7 | Very low | 166 Ų | 166 | 167.7 Ų | 167.7 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | | | trans | -126.7 | 70.4 | 156 | -87.9 | -29.9 | 0 | 0 | 0 | 107.1 | T280 | T280-D282 PolarHBondContact O-N 3.37Š|
| 283 | N | 28.8 | Very low | 31.7 | Very low | 160 Ų | 160 | 166 Ų | 166 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | | | trans | -134.1 | 53.9 | 177 | -143.9 | 26.2 | 0 | 0 | 0 | 110.5 | | |
| 284 | E | 32.6 | Very low | 31.9 | Very low | 194 Ų | 194 | 163.7 Ų | 163.7 | 91% | 0.907 | 84% | 0.835 | S | S | * | * | | | trans | -131.7 | 65.9 | 166.5 | -78.8 | -169.8 | 168.9 | 0 | 0 | 109.3 | | |
| 285 | R | 31.7 | Very low | 32.2 | Very low | 252 Ų | 252 | 164.1 Ų | 164.1 | 95% | 0.951 | 84% | 0.837 | S | S | * | * | | | trans | -159.2 | 57.5 | 167.5 | -137.9 | -179.7 | -81.3 | -131.1 | 2.4 | 112.6 | | |
| 286 | A | 31.8 | Very low | 32.2 | Very low | 96 Ų | 96 | 165.5 Ų | 165.5 | 79% | 0.793 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -138.7 | -7.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 287 | E | 32.4 | Very low | 32.3 | Very low | 185 Ų | 185 | 167.9 Ų | 167.9 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -105.4 | 89.8 | 171.3 | -67 | -171.6 | 178.6 | 0 | 0 | 109 | | |
| 288 | N | 31.8 | Very low | 32.4 | Very low | 168 Ų | 168 | 168.3 Ų | 168.3 | 90% | 0.898 | 85% | 0.848 | S | S | * | * | | | trans | -171.9 | 37.9 | 160.9 | -95.5 | -18.7 | 0 | 0 | 0 | 112.1 | | |
| 289 | L | 33.1 | Very low | 32.5 | Very low | 163 Ų | 163 | 167.3 Ų | 167.3 | 85% | 0.853 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -124.1 | 16.7 | 178.4 | -119.8 | 144.2 | 0 | 0 | 0 | 114.2 | | |
| 290 | F | 31.1 | Very low | 32.4 | Very low | 207 Ų | 207 | 166.9 Ų | 166.9 | 91% | 0.908 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -131.9 | 72.6 | 169.4 | -92 | -83.9 | 0 | 0 | 0 | 109.8 | | |
| 291 | E | 33.2 | Very low | 32.3 | Very low | 189 Ų | 189 | 169.3 Ų | 169.3 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -176.6 | 63.6 | 157.9 | -107.9 | 175.3 | -153.8 | 0 | 0 | 109.7 | | |
| 292 | Q | 32.6 | Very low | 32 | Very low | 191 Ų | 191 | 166.9 Ų | 166.9 | 89% | 0.893 | 85% | 0.85 | S | S | * | * | | | trans | -163.1 | 58.3 | 165.1 | -118.4 | 172.2 | 57.8 | 0 | 0 | 112 | | |
| 293 | T | 30.7 | Very low | 31.9 | Very low | 143 Ų | 143 | 167.6 Ų | 167.6 | 88% | 0.877 | 85% | 0.848 | S | S | * | * | | | trans | -111.2 | 104.5 | 152 | 35.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 294 | T | 33.6 | Very low | 31.9 | Very low | 114 Ų | 114 | 170.7 Ų | 170.7 | 70% | 0.699 | 85% | 0.848 | S | S | * | * | | | trans | -54 | 141.9 | 178.7 | 36.5 | 0 | 0 | 0 | 0 | 111.5 | E296 | T294-E296 PolarHBondContact O-N 3.05Š|
| 295 | Q | 33.7 | Very low | 31.8 | Very low | 186 Ų | 186 | 166.6 Ų | 166.6 | 87% | 0.869 | 84% | 0.841 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 27.6 | -178.9 | -115.1 | 175.9 | -12.3 | 0 | 0 | 115.3 | | |
| 296 | E | 34.5 | Very low | 31.8 | Very low | 170 Ų | 170 | 163.5 Ų | 163.5 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -5.8 | -169 | -139.1 | 168 | -168.1 | 0 | 0 | 114.6 | T294 | T294-E296 PolarHBondContact O-N 3.05Š|
| 297 | E | 32.3 | Very low | 31.7 | Very low | 190 Ų | 190 | 168.1 Ų | 168.1 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -101.2 | 3.7 | 178.2 | -112.5 | 179.8 | 175 | 0 | 0 | 115.4 | | |
| 298 | V | 35.2 | Very low | 31.6 | Very low | 130 Ų | 130 | 166.9 Ų | 166.9 | 79% | 0.788 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -95.4 | 1.1 | 177.2 | -167.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 299 | M | 33.3 | Very low | 31.7 | Very low | 145 Ų | 145 | 164.3 Ų | 164.3 | 71% | 0.714 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -94.5 | -0.2 | -173.5 | -76.2 | -81.3 | -73.8 | 0 | 0 | 115.8 | | |
| 300 | N | 28.7 | Very low | 31.6 | Very low | 157 Ų | 157 | 162.9 Ų | 162.9 | 84% | 0.84 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -111.3 | 44.1 | -178 | -80.4 | -11.7 | 0 | 0 | 0 | 114.2 | | |
| 301 | L | 29.3 | Very low | 31.7 | Very low | 165 Ų | 165 | 159.5 Ų | 159.5 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | | | trans | -144 | 54.1 | 158 | -70.9 | 177.4 | 0 | 0 | 0 | 110 | | |
| 302 | T | 29 | Very low | 31.7 | Very low | 134 Ų | 134 | 158.3 Ų | 158.3 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | | | trans | -100.2 | 73.1 | 158.9 | -54.7 | 0 | 0 | 0 | 0 | 107.6 | R304 | T302-R304 PolarHBondContact O-N 2.79Å; T302-R304 VanDerWaalsContact O-N 3.16Å |
| 303 | E | 30.8 | Very low | 31.9 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -77.7 | 100.5 | 169 | -158.4 | 167 | -155 | 0 | 0 | 108.3 | S305 | E303-S305 PolarHBondContact O-N 3.14Š|
| 304 | R | 27.7 | Very low | 32 | Very low | 224 Ų | 224 | 155.6 Ų | 155.6 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | 7.5 | 96.8 | 153.4 | -159.7 | 173.3 | -168.1 | 157 | 0.3 | 114.8 | T302 E306 | T302-R304 PolarHBondContact O-N 2.79Å; T302-R304 VanDerWaalsContact O-N 3.16Å; R304-E306 PolarHBondContact O-N 3.07Å |
| 305 | S | 30.8 | Very low | 32 | Very low | 109 Ų | 109 | 156.5 Ų | 156.5 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | -52.4 | 109.3 | 162.1 | 56.7 | 0 | 0 | 0 | 0 | 109.4 | E303 Q307 | E303-S305 PolarHBondContact O-N 3.14Å; S305-Q307 PolarHBondContact O-N 3.06Å |
| 306 | E | 33 | Very low | 32 | Very low | 187 Ų | 187 | 152.6 Ų | 152.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -60.8 | 125 | 167.9 | -70.6 | -171.4 | 150.9 | 0 | 0 | 108.9 | R304 L308 | R304-E306 PolarHBondContact O-N 3.07Å; E306-L308 PolarHBondContact O-N 2.75Å |
| 307 | Q | 29.4 | Very low | 32 | Very low | 193 Ų | 193 | 153 Ų | 153 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -63.8 | 100.7 | 174.2 | -75.6 | 169.9 | -34.4 | 0 | 0 | 108.9 | S305 P309 | S305-Q307 PolarHBondContact O-N 3.06Å; Q307-P309 WeakPolarHBondContact O-CD 3.27Å |
| 308 | L | 29.4 | Very low | 32 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -74 | 121 | 161.7 | -149.4 | 79.9 | 0 | 0 | 0 | 107.4 | E306 T310 | E306-L308 PolarHBondContact O-N 2.75Å; L308-T310 PolarHBondContact O-N 2.81Å |
| 309 | P | 34.1 | Very low | 31.8 | Very low | 114 Ų | 114 | 153.5 Ų | 153.5 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -68.2 | 119.4 | -176.9 | 25.2 | -31.3 | 0 | 0 | 0 | 110.6 | Q307 D311 | Q307-P309 WeakPolarHBondContact O-CD 3.27Å; P309-D311 PolarHBondContact O-N 3.34Å |
| 310 | T | 30.9 | Very low | 31.8 | Very low | 133 Ų | 133 | 151.8 Ų | 151.8 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | | | trans | -63.7 | 97.6 | 167.1 | -36.1 | 0 | 0 | 0 | 0 | 108.5 | L308 E312 | L308-T310 PolarHBondContact O-N 2.81Å; T310-E312 PolarHBondContact O-N 3.26Å |
| 311 | D | 33.1 | Very low | 31.8 | Very low | 136 Ų | 136 | 149.5 Ų | 149.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -85.7 | 100.3 | 165.8 | -162.1 | 19.8 | 0 | 0 | 0 | 107.7 | P309 N313 | P309-D311 PolarHBondContact O-N 3.34Å; D311-N313 PolarHBondContact O-N 2.74Å |
| 312 | E | 34.3 | Very low | 31.9 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | -58.9 | 90.7 | 171.2 | -72.5 | 174.4 | 151.9 | 0 | 0 | 109.7 | T310 | T310-E312 PolarHBondContact O-N 3.26Š|
| 313 | N | 36.4 | Very low | 32 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | | | trans | -103.3 | 87 | 157.4 | -76.8 | -62.7 | 0 | 0 | 0 | 108.5 | D311 I315 | D311-N313 PolarHBondContact O-N 2.74Å; N313-I315 PolarHBondContact O-N 2.94Å |
| 314 | D | 32.8 | Very low | 32.1 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | | | trans | -52 | 97.4 | 163.4 | -77 | -37.9 | 0 | 0 | 0 | 110.2 | | |
| 315 | I | 33.3 | Very low | 32 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | | | trans | -112.8 | 107.6 | 161.6 | -57.7 | 179.7 | 0 | 0 | 0 | 107.3 | N313 F317 | N313-I315 PolarHBondContact O-N 2.94Å; I315-F317 PolarHBondContact O-N 2.98Å |
| 316 | P | 34.3 | Very low | 32 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | trans | -70.6 | 116 | -179.6 | 26.7 | -30.2 | 0 | 0 | 0 | 109.8 | D318 | P316-D318 PolarHBondContact O-N 3.48Å; P316-D318 VanDerWaalsContact O-N 3.08Å |
| 317 | F | 33.3 | Very low | 32 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -73 | 92.6 | 167 | -86.9 | -93 | 0 | 0 | 0 | 109.1 | I315 F319 | I315-F317 PolarHBondContact O-N 2.98Å; F317-F319 HydrophobicContact CB-CE2 4.47Å; F317-F319 PolarHBondContact O-N 3.09Å; F317-F319 VanDerWaalsContact O-N 3.07Å |
| 318 | D | 32.6 | Very low | 32 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | trans | -69.2 | 97.6 | 168.5 | -86.7 | -23 | 0 | 0 | 0 | 109.7 | P316 V320 | P316-D318 PolarHBondContact O-N 3.48Å; P316-D318 VanDerWaalsContact O-N 3.08Å; D318-V320 PolarHBondContact O-N 2.77Å |
| 319 | F | 30.8 | Very low | 31.9 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | trans | -69.2 | 94 | 165 | -83.4 | -92.3 | 0 | 0 | 0 | 109.4 | F317 V321 | F317-F319 HydrophobicContact CB-CE2 4.47Å; F317-F319 PolarHBondContact O-N 3.09Å; F317-F319 VanDerWaalsContact O-N 3.07Å; F319-V321 PolarHBondContact O-N 3.29Å |
| 320 | V | 33.7 | Very low | 31.5 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 66% | 0.655 | 76% | 0.759 | S | S | * | * | | | trans | -80.9 | 97.8 | 165.9 | -179 | 0 | 0 | 0 | 0 | 108.4 | D318 H322 | D318-V320 PolarHBondContact O-N 2.77Å; V320-H322 PolarHBondContact O-N 3.45Å |
| 321 | V | 28.8 | Very low | 31.5 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | | | trans | -64.1 | 104.6 | 169.6 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | F319 D323 | F319-V321 PolarHBondContact O-N 3.29Å; V321-D323 PolarHBondContact O-N 2.79Å |
| 322 | H | 31.4 | Very low | 31.2 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -91.1 | 94.2 | 161.7 | -83.8 | -55.9 | 0 | 0 | 0 | 108.9 | V320 I324 | V320-H322 PolarHBondContact O-N 3.45Å; H322-I324 PolarHBondContact O-N 3.18Å; H322-I324 VanDerWaalsContact O-N 3.16Å |
| 323 | D | 30.2 | Very low | 31 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | trans | -56.5 | 107.9 | 157.9 | -88.2 | -34.3 | 0 | 0 | 0 | 109 | V321 | V321-D323 PolarHBondContact O-N 2.79Š|
| 324 | I | 33.1 | Very low | 30.5 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -128.6 | 80 | 159.1 | -40.3 | 177.1 | 0 | 0 | 0 | 106.5 | H322 | H322-I324 PolarHBondContact O-N 3.18Å; H322-I324 VanDerWaalsContact O-N 3.16Å |
| 325 | N | 27.5 | Very low | 30.3 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | -75.4 | 151 | 159.6 | -75.7 | -57.3 | 0 | 0 | 0 | 108.9 | | |
| 326 | E | 30.4 | Very low | 29.9 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | 97.2 | 89.4 | 172.1 | -57.7 | -175 | 165 | 0 | 0 | 116.9 | | |
| 327 | E | 32.7 | Very low | 29.8 | Very low | 197 Ų | 197 | 147.4 Ų | 147.4 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | | -170.8 | 98.2 | 106 | -108.7 | -176.5 | 161 | 0 | 0 | 109.9 | | |
| 328 | V | 28.5 | Very low | 29.5 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | | | trans | -98.1 | 108.6 | 163.3 | 174 | 0 | 0 | 0 | 0 | 106.2 | | |
| 329 | G | 28.1 | Very low | 29.1 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | -168.4 | 78.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 330 | G | 26.4 | Very low | 29.1 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | | | trans | 67 | 109.4 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 331 | N | 29.4 | Very low | 29 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | | 165.6 | 90.2 | 110.8 | -82.4 | -20 | 0 | 0 | 0 | 109.7 | D333 | N331-D333 PolarHBondContact O-N 2.82Å; N331-D333 VanDerWaalsContact O-N 3.15Å |
| 332 | L | 27.2 | Very low | 29 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 96% | 0.963 | 80% | 0.799 | S | S | * | * | | | trans | -78.3 | 77.9 | 160.2 | -82.2 | 162 | 0 | 0 | 0 | 108 | | |
| 333 | D | 29.7 | Very low | 29 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 69% | 0.69 | 80% | 0.802 | S | S | * | * | | | trans | -105.8 | 105 | 168.1 | -101.9 | -25 | 0 | 0 | 0 | 109.9 | N331 | N331-D333 PolarHBondContact O-N 2.82Å; N331-D333 VanDerWaalsContact O-N 3.15Å |
| 334 | R | 25.7 | Very low | 28.9 | Very low | 238 Ų | 238 | 139.2 Ų | 139.2 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | | | trans | 26.5 | 98.3 | 142.9 | -72.7 | 175.8 | 164.5 | -159 | -3.8 | 116.2 | | |
| 335 | I | 28.9 | Very low | 28.6 | Very low | 171 Ų | 171 | 140 Ų | 140 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | | | trans | -105.5 | 108.6 | 148.4 | -58.3 | 179.2 | 0 | 0 | 0 | 107.2 | | |
| 336 | S | 25.7 | Very low | 28.8 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -55 | 126.4 | -179.3 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | G338 | S336-G338 PolarHBondContact O-N 2.94Å; S336-G338 VanDerWaalsContact O-N 3.12Å |
| 337 | T | 31.5 | Very low | 28.9 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | -59.4 | 109 | 162.2 | 41.9 | 0 | 0 | 0 | 0 | 109 | G339 | T337-G339 PolarHBondContact O-N 3.11Š|
| 338 | G | 26.7 | Very low | 28.9 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | trans | -71.2 | 110.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S336 V340 | S336-G338 PolarHBondContact O-N 2.94Å; S336-G338 VanDerWaalsContact O-N 3.12Å; G338-V340 PolarHBondContact O-N 2.78Å |
| 339 | G | 25.6 | Very low | 29.1 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | -67.3 | 119.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | T337 | T337-G339 PolarHBondContact O-N 3.11Š|
| 340 | V | 30 | Very low | 29.3 | Very low | 141 Ų | 141 | 141 Ų | 141 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | trans | -98.5 | 105.8 | 164.2 | 177.6 | 0 | 0 | 0 | 0 | 106.1 | G338 G342 | G338-V340 PolarHBondContact O-N 2.78Å; V340-G342 PolarHBondContact O-N 2.68Å |
| 341 | E | 30.5 | Very low | 29.7 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -62.7 | 94.8 | 171.5 | -67.6 | 174.5 | 157.7 | 0 | 0 | 109.2 | N343 | E341-N343 PolarHBondContact O-N 2.72Š|
| 342 | G | 28.8 | Very low | 29.7 | Very low | 64 Ų | 64 | 144.6 Ų | 144.6 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | trans | -81.8 | 103.3 | 168 | 0 | 0 | 0 | 0 | 0 | 109.4 | V340 I344 | V340-G342 PolarHBondContact O-N 2.68Å; G342-I344 PolarHBondContact O-N 2.71Å; G342-I344 VanDerWaalsContact O-N 3.14Å |
| 343 | N | 31.6 | Very low | 29.9 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | -54 | 116.6 | 174.1 | -72.9 | -23.2 | 0 | 0 | 0 | 110.5 | E341 Q345 | E341-N343 PolarHBondContact O-N 2.72Å; N343-Q345 PolarHBondContact O-N 2.92Å |
| 344 | I | 28.6 | Very low | 30 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | -65.7 | 98.1 | 172 | -59.6 | 170.9 | 0 | 0 | 0 | 107.1 | G342 T346 | G342-I344 PolarHBondContact O-N 2.71Å; G342-I344 VanDerWaalsContact O-N 3.14Å; I344-T346 PolarHBondContact O-N 2.79Å; I344-T346 VanDerWaalsContact O-N 3.08Å |
| 345 | Q | 28.1 | Very low | 30.2 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | -69.4 | 102.4 | 172.6 | -162.2 | 100.4 | 27.7 | 0 | 0 | 107.2 | N343 | N343-Q345 PolarHBondContact O-N 2.92Š|
| 346 | T | 31.1 | Very low | 30.3 | Very low | 112 Ų | 112 | 141 Ų | 141 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | trans | -59.1 | 135.9 | 174.7 | 21.4 | 0 | 0 | 0 | 0 | 109.7 | I344 L348 | I344-T346 PolarHBondContact O-N 2.79Å; I344-T346 VanDerWaalsContact O-N 3.08Å; T346-L348 PolarHBondContact O-N 3.35Å |
| 347 | P | 32.9 | Very low | 30.6 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | -58.4 | 123.8 | -179.1 | -19.4 | 29.4 | 0 | 0 | 0 | 109.8 | E349 | P347-E349 PolarHBondContact O-N 3.32Š|
| 348 | L | 32.3 | Very low | 30.6 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | -55.8 | 113.8 | 170.7 | -112.5 | 90.5 | 0 | 0 | 0 | 108.2 | T346 K350 | T346-L348 PolarHBondContact O-N 3.35Å; L348-K350 PolarHBondContact O-N 2.88Å |
| 349 | E | 31.7 | Very low | 30.9 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | -48.3 | 113.2 | 165.3 | -103.6 | 179.7 | 154.8 | 0 | 0 | 108.5 | P347 V351 | P347-E349 PolarHBondContact O-N 3.32Å; E349-V351 PolarHBondContact O-N 3.22Å |
| 350 | K | 33.1 | Very low | 31.2 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | | | trans | -65.6 | 98.9 | 172.7 | -75.7 | -179.5 | 179.1 | 175.5 | 0 | 107.7 | L348 E352 | L348-K350 PolarHBondContact O-N 2.88Å; K350-E352 VanDerWaalsContact C-N 3.32Å; K350-E352 PolarHBondContact O-N 3.36Å |
| 351 | V | 33.9 | Very low | 31.3 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -64.1 | 95.4 | 166.5 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | E349 T353 | E349-V351 PolarHBondContact O-N 3.22Å; V351-T353 VanDerWaalsContact C-N 3.34Å; V351-T353 PolarHBondContact O-N 3.39Å; V351-T353 PolarHBondContact O-OG1 2.87Å |
| 352 | E | 29.9 | Very low | 31.5 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -62 | 96.6 | 170.1 | -75.1 | -173.2 | 166.3 | 0 | 0 | 108.9 | K350 K354 | K350-E352 VanDerWaalsContact C-N 3.32Å; K350-E352 PolarHBondContact O-N 3.36Å; E352-K354 PolarHBondContact O-N 2.9Å |
| 353 | T | 32.2 | Very low | 31.7 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | | | trans | -74.2 | 98.1 | 174.5 | -10 | 0 | 0 | 0 | 0 | 107.5 | V351 F355 | V351-T353 VanDerWaalsContact C-N 3.34Å; V351-T353 PolarHBondContact O-N 3.39Å; V351-T353 PolarHBondContact O-OG1 2.87Å; T353-F355 WeakPolarHBondContact O-CD2 3.5Å; T353-F355 PolarHBondContact O-N 3.27Å |
| 354 | K | 30.4 | Very low | 31.8 | Very low | 192 Ų | 192 | 147 Ų | 147 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | | | trans | -64.7 | 101.7 | 170.5 | -71.8 | -178.6 | 179.4 | 177 | 0 | 108.8 | E352 E356 | E352-K354 PolarHBondContact O-N 2.9Å; K354-E356 PolarHBondContact O-N 3.42Å |
| 355 | F | 30.8 | Very low | 31.9 | Very low | 158 Ų | 158 | 147 Ų | 147 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | | | trans | -77.6 | 96.1 | 166.1 | -76.6 | -84.2 | 0 | 0 | 0 | 108.7 | T353 Y357 | T353-F355 WeakPolarHBondContact O-CD2 3.5Å; T353-F355 PolarHBondContact O-N 3.27Å; F355-Y357 HydrophobicContact CB-CD2 4.32Å; F355-Y357 HydrophobicContact CB-CE2 3.98Å; F355-Y357 PolarHBondContact O-N 3.44Å |
| 356 | E | 31.9 | Very low | 32.1 | Very low | 190 Ų | 190 | 144.6 Ų | 144.6 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | | | trans | -75.9 | 98.7 | 168.1 | -147.3 | 166.4 | -150.2 | 0 | 0 | 107.2 | K354 D358 | K354-E356 PolarHBondContact O-N 3.42Å; E356-D358 PolarHBondContact O-N 2.93Å |
| 357 | Y | 31.4 | Very low | 32.2 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | | | trans | -73.2 | 98.8 | 175.5 | -79.3 | -85.4 | 0 | 0 | 0 | 109.5 | F355 I359 | F355-Y357 HydrophobicContact CB-CD2 4.32Å; F355-Y357 HydrophobicContact CB-CE2 3.98Å; F355-Y357 PolarHBondContact O-N 3.44Å; Y357-I359 PolarHBondContact O-N 3.39Å |
| 358 | D | 32.3 | Very low | 32.1 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | | | trans | -78.9 | 75 | 169.7 | -142.2 | -5.2 | 0 | 0 | 0 | 108.6 | E356 S360 | E356-D358 PolarHBondContact O-N 2.93Å; D358-S360 PolarHBondContact O-N 2.95Å |
| 359 | I | 31.1 | Very low | 32 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 67% | 0.672 | 77% | 0.771 | S | S | * | * | | | trans | -78.8 | 69.1 | 174.7 | -48.6 | 179.8 | 0 | 0 | 0 | 108.1 | Y357 T361 | Y357-I359 PolarHBondContact O-N 3.39Å; I359-T361 WeakPolarHBondContact CG2-OG1 3.32Å; I359-T361 PolarHBondContact O-N 2.79Å |
| 360 | S | 33.8 | Very low | 31.9 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | -89.9 | 59.2 | 161.9 | -67.3 | 0 | 0 | 0 | 0 | 108.7 | D358 S362 | D358-S360 PolarHBondContact O-N 2.95Å; S360-S362 PolarHBondContact O-N 2.88Å |
| 361 | T | 32.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | | | trans | -76.3 | 96.5 | 168.8 | 18.2 | 0 | 0 | 0 | 0 | 109 | I359 V363 | I359-T361 WeakPolarHBondContact CG2-OG1 3.32Å; I359-T361 PolarHBondContact O-N 2.79Å; T361-V363 PolarHBondContact O-N 3.42Å; T361-V363 VanDerWaalsContact O-N 3.1Å |
| 362 | S | 33.4 | Very low | 31.7 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | -21.2 | 102.1 | 153.5 | 50.3 | 0 | 0 | 0 | 0 | 113.4 | S360 D364 | S360-S362 PolarHBondContact O-N 2.88Å; S362-D364 PolarHBondContact O-N 3.2Å |
| 363 | V | 33 | Very low | 31.7 | Very low | 129 Ų | 129 | 142 Ų | 142 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | | | trans | -81.9 | 105.6 | 159.4 | 174.8 | 0 | 0 | 0 | 0 | 106 | T361 Q365 | T361-V363 PolarHBondContact O-N 3.42Å; T361-V363 VanDerWaalsContact O-N 3.1Å; V363-Q365 PolarHBondContact O-N 3.02Å |
| 364 | D | 33.3 | Very low | 31.7 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | | | trans | -53.3 | 99.6 | 172.6 | -75 | -39.6 | 0 | 0 | 0 | 109.8 | S362 P366 | S362-D364 PolarHBondContact O-N 3.2Å; D364-P366 WeakPolarHBondContact O-CD 3.36Å |
| 365 | Q | 30.3 | Very low | 31.8 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | | | trans | -85.6 | 121 | 165.4 | -73.1 | -153.6 | -28.2 | 0 | 0 | 108.6 | V363 E367 | V363-Q365 PolarHBondContact O-N 3.02Å; Q365-E367 PolarHBondContact O-N 2.8Å |
| 366 | P | 33 | Very low | 31.8 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | -72.8 | 95.9 | 168.4 | 28.9 | -30.3 | 0 | 0 | 0 | 108.3 | D364 N368 | D364-P366 WeakPolarHBondContact O-CD 3.36Å; P366-N368 PolarHBondContact O-N 3.15Å |
| 367 | E | 32.5 | Very low | 31.6 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -71.5 | 122.6 | 166.9 | -81.7 | -161.5 | 159.1 | 0 | 0 | 110.1 | Q365 G369 | Q365-E367 PolarHBondContact O-N 2.8Å; E367-G369 PolarHBondContact O-N 3.07Å; E367-G369 VanDerWaalsContact O-N 3.1Å |
| 368 | N | 32.4 | Very low | 31.7 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -55.4 | 106.6 | 177.9 | -66.7 | -62.9 | 0 | 0 | 0 | 111.6 | P366 S370 | P366-N368 PolarHBondContact O-N 3.15Å; N368-S370 VanDerWaalsContact C-N 3.31Å; N368-S370 PolarHBondContact O-N 2.75Å |
| 369 | G | 29.1 | Very low | 31.4 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 92% | 0.918 | 79% | 0.788 | S | S | * | * | | | trans | -72 | 81.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E367 | E367-G369 PolarHBondContact O-N 3.07Å; E367-G369 VanDerWaalsContact O-N 3.1Å |
| 370 | S | 29.8 | Very low | 31.6 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -108.2 | 115.4 | 162.5 | 67.1 | 0 | 0 | 0 | 0 | 109.2 | N368 | N368-S370 VanDerWaalsContact C-N 3.31Å; N368-S370 PolarHBondContact O-N 2.75Å |
| 371 | G | 29 | Very low | 31.4 | Very low | 74 Ų | 74 | 142.3 Ų | 142.3 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | trans | 159 | 51.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 372 | K | 35 | Very low | 31.1 | Very low | 211 Ų | 211 | 146.1 Ų | 146.1 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | | | trans | -127.1 | 92.7 | 154.9 | -76 | -169.5 | 179.5 | 177.5 | 0 | 110.2 | L374 | K372-L374 PolarHBondContact O-N 2.64Š|
| 373 | Q | 29.3 | Very low | 31.1 | Very low | 187 Ų | 187 | 150.4 Ų | 150.4 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -31.8 | 117.1 | 149.8 | -97.6 | 169.9 | -18.2 | 0 | 0 | 111.2 | | |
| 374 | L | 32.7 | Very low | 30.9 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | | | trans | -125.1 | 121.1 | 145.2 | -93.1 | 166.1 | 0 | 0 | 0 | 107.7 | K372 | K372-L374 PolarHBondContact O-N 2.64Š|
| 375 | H | 30.6 | Very low | 30.4 | Very low | 156 Ų | 156 | 150.7 Ų | 150.7 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | trans | -99.3 | 102.8 | -168.9 | -164.4 | 73.1 | 0 | 0 | 0 | 106.4 | | |
| 376 | T | 31 | Very low | 30.5 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | | | trans | -140.4 | 95.7 | 164.5 | -43.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 377 | Q | 28 | Very low | 30.3 | Very low | 165 Ų | 165 | 152 Ų | 152 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | | | trans | -64 | 128.1 | 158.4 | -68.1 | 177.3 | -19.7 | 0 | 0 | 108.8 | | |
| 378 | V | 33.1 | Very low | 30.2 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | | | trans | -152.7 | 93.7 | 141 | -177.2 | 0 | 0 | 0 | 0 | 107.2 | Q380 | V378-Q380 HydrophobicContact CG1-CB 4.49Å; V378-Q380 HydrophobicContact CG1-CG 4.41Å |
| 379 | D | 27.3 | Very low | 30.1 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | | | trans | -81.6 | 108.4 | 156.4 | -79.8 | -41.7 | 0 | 0 | 0 | 107.4 | | |
| 380 | Q | 35.3 | Very low | 30.2 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | | | trans | -149.6 | 106.1 | 158.3 | -70.6 | -162.5 | -12.3 | 0 | 0 | 111 | V378 | V378-Q380 HydrophobicContact CG1-CB 4.49Å; V378-Q380 HydrophobicContact CG1-CG 4.41Å |
| 381 | N | 29.1 | Very low | 30.1 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | | 50.3 | 114.6 | 128.3 | -60.4 | -13.9 | 0 | 0 | 0 | 120.6 | | |
| 382 | E | 24.9 | Very low | 30.1 | Very low | 188 Ų | 188 | 154 Ų | 154 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | | 29.8 | 108.4 | 119.7 | -61.6 | -176.9 | 168.7 | 0 | 0 | 118.8 | | |
| 383 | E | 33.9 | Very low | 29.6 | Very low | 188 Ų | 188 | 152.3 Ų | 152.3 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -165.8 | 99.2 | 142.5 | -124.5 | 176.2 | 175.7 | 0 | 0 | 107.2 | | |
| 384 | E | 28.5 | Very low | 29.5 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | | | | 63.3 | 97.1 | 89.9 | -150.3 | 172.3 | -164.8 | 0 | 0 | 114.8 | | |
| 385 | I | 24.3 | Very low | 29.3 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | | | trans | 48.1 | 115.5 | 136.9 | -49.4 | 169.1 | 0 | 0 | 0 | 117.6 | | |
| 386 | H | 32.6 | Very low | 29.3 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | | -179.2 | 115.4 | 122.4 | -92.8 | -57.7 | 0 | 0 | 0 | 113.6 | | |
| 387 | N | 28.2 | Very low | 29.3 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | trans | 26.2 | 99.8 | 137.3 | -63.5 | -20.5 | 0 | 0 | 0 | 119.8 | | |
| 388 | V | 31.2 | Very low | 29.5 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | | | trans | -151.2 | 119.7 | 135 | -173.5 | 0 | 0 | 0 | 0 | 109 | S390 | V388-S390 WeakPolarHBondContact CG1-OG 3.43Š|
| 389 | P | 29.1 | Very low | 29.5 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | | | trans | -86.2 | 106.5 | 165.5 | 18.5 | -2.9 | 0 | 0 | 0 | 108.9 | | |
| 390 | S | 31.2 | Very low | 29.7 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | -112.7 | 120.4 | 171.5 | -54.3 | 0 | 0 | 0 | 0 | 109.2 | V388 | V388-S390 WeakPolarHBondContact CG1-OG 3.43Š|
| 391 | E | 27 | Very low | 29.6 | Very low | 190 Ų | 190 | 142.5 Ų | 142.5 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | -56.5 | 130 | 177.7 | -62.3 | 166.8 | 144.6 | 0 | 0 | 112.4 | | |
| 392 | S | 29.1 | Very low | 29.6 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | -173.7 | 107.6 | 144.2 | 36.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 393 | H | 25.3 | Very low | 30.1 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | | | trans | 28 | 109.7 | 131.1 | -65.2 | 72.5 | 0 | 0 | 0 | 118.5 | | |
| 394 | T | 28.1 | Very low | 30.1 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | | 164.3 | 127.6 | 109.7 | 35.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 395 | G | 27.9 | Very low | 30.5 | Very low | 82 Ų | 82 | 140.1 Ų | 140.1 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | trans | 69.2 | 96.3 | 140.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 396 | A | 31.4 | Very low | 31.1 | Very low | 90 Ų | 90 | 141 Ų | 141 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | | | trans | -166.4 | 110.8 | 134.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 397 | Y | 30.7 | Very low | 31.2 | Very low | 238 Ų | 238 | 139 Ų | 139 | 93% | 0.933 | 78% | 0.776 | S | S | * | * | | | trans | 39.2 | 91.1 | 144.2 | -77.2 | -95 | 0 | 0 | 0 | 118.3 | S399 | Y397-S399 PolarHBondContact O-N 2.88Š|
| 398 | I | 32.4 | Very low | 31.5 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | trans | -80 | 113.6 | 159.6 | -52.8 | 173.2 | 0 | 0 | 0 | 107.2 | F400 | I398-F400 WeakPolarHBondContact O-CD2 3.05Å; I398-F400 PolarHBondContact O-N 3.35Å; I398-F400 VanDerWaalsContact O-N 3.15Å |
| 399 | S | 31.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -49.3 | 106.3 | 164.8 | 157.9 | 0 | 0 | 0 | 0 | 110.8 | Y397 A401 | Y397-S399 PolarHBondContact O-N 2.88Å; S399-A401 PolarHBondContact O-N 3.16Å |
| 400 | F | 32.6 | Very low | 31.7 | Very low | 185 Ų | 185 | 143.4 Ų | 143.4 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -84.1 | 100.7 | 166.1 | -76.2 | -80.7 | 0 | 0 | 0 | 108.6 | I398 | I398-F400 WeakPolarHBondContact O-CD2 3.05Å; I398-F400 PolarHBondContact O-N 3.35Å; I398-F400 VanDerWaalsContact O-N 3.15Å |
| 401 | A | 31.6 | Very low | 31.8 | Very low | 64 Ų | 64 | 143.1 Ų | 143.1 | 53% | 0.529 | 78% | 0.784 | S | S | . | * | | | trans | -81 | 140.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S399 | S399-A401 PolarHBondContact O-N 3.16Š|
| 402 | D | 29.8 | Very low | 32.1 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | 55.2 | 88.1 | 146.9 | -54.2 | -23.1 | 0 | 0 | 0 | 119.2 | | |
| 403 | Y | 35.5 | Very low | 32.3 | Very low | 211 Ų | 211 | 143 Ų | 143 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | -120.1 | 80.9 | 142.2 | -72.2 | -78 | 0 | 0 | 0 | 109.1 | K405 | Y403-K405 PolarHBondContact O-N 3.25Š|
| 404 | S | 33.9 | Very low | 32.7 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | | | trans | -67.5 | 113.8 | 157.7 | -162.3 | 0 | 0 | 0 | 0 | 107.4 | D406 | S404-D406 PolarHBondContact OG-OD1 2.95Š|
| 405 | K | 37.4 | Very low | 32.9 | Very low | 182 Ų | 182 | 144.3 Ų | 144.3 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -106.8 | 96.5 | 162.1 | -80.3 | -174.4 | 179.4 | 179 | 0 | 106.4 | Y403 V407 | Y403-K405 PolarHBondContact O-N 3.25Å; K405-V407 PolarHBondContact O-N 3.31Å |
| 406 | D | 35.9 | Very low | 32.9 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | -61 | 110.4 | 169 | -54.8 | -43.8 | 0 | 0 | 0 | 107.8 | S404 | S404-D406 PolarHBondContact OG-OD1 2.95Š|
| 407 | V | 34.8 | Very low | 33 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | | | trans | -99.4 | 95.1 | 166.8 | 178.7 | 0 | 0 | 0 | 0 | 105.9 | K405 | K405-V407 PolarHBondContact O-N 3.31Š|
| 408 | E | 33.8 | Very low | 33.1 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | trans | -72 | 119.8 | -179 | -159.1 | 170 | -157.9 | 0 | 0 | 109.5 | | |
| 409 | F | 31.2 | Very low | 33 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | trans | -78.5 | 130.2 | 173.3 | -77.6 | -91.1 | 0 | 0 | 0 | 109.4 | A411 | F409-A411 PolarHBondContact O-N 3.4Š|
| 410 | P | 33.9 | Very low | 33 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -73 | 111.3 | 175.7 | 27.8 | -30.5 | 0 | 0 | 0 | 109.9 | V412 | P410-V412 PolarHBondContact O-N 3.1Š|
| 411 | A | 33.7 | Very low | 32.9 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | -70.7 | 112.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | F409 E413 | F409-A411 PolarHBondContact O-N 3.4Å; A411-E413 PolarHBondContact O-N 3.09Å |
| 412 | V | 32.9 | Very low | 32.9 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | -81.6 | 107.6 | 174.5 | 177.8 | 0 | 0 | 0 | 0 | 107.5 | P410 | P410-V412 PolarHBondContact O-N 3.1Š|
| 413 | E | 34.8 | Very low | 33 | Very low | 160 Ų | 160 | 152 Ų | 152 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -71.8 | 121.9 | 174 | -71 | -179.4 | 160.4 | 0 | 0 | 110.6 | A411 Q415 | A411-E413 PolarHBondContact O-N 3.09Å; E413-Q415 PolarHBondContact O-N 2.98Å |
| 414 | E | 32.2 | Very low | 33 | Very low | 182 Ų | 182 | 153.7 Ų | 153.7 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | trans | -69.1 | 103.7 | 169 | -69.1 | -179.2 | 158.7 | 0 | 0 | 109.6 | | |
| 415 | Q | 33.2 | Very low | 33 | Very low | 164 Ų | 164 | 159 Ų | 159 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | | | trans | -88.3 | 109 | 168.8 | -69.9 | -166.9 | 9.2 | 0 | 0 | 110.2 | E413 | E413-Q415 PolarHBondContact O-N 2.98Š|
| 416 | I | 28.3 | Very low | 32.9 | Very low | 155 Ų | 155 | 159 Ų | 159 | 80% | 0.795 | 80% | 0.796 | S | S | * | * | | | trans | -84.1 | 112.5 | 170.1 | -47.6 | 163.1 | 0 | 0 | 0 | 106.2 | | |
| 417 | T | 33.4 | Very low | 32.9 | Very low | 127 Ų | 127 | 161.7 Ų | 161.7 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | -113.2 | 124.1 | 168.8 | 45.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 418 | T | 32.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 162.8 Ų | 162.8 | 68% | 0.681 | 80% | 0.803 | S | S | * | * | | | trans | -78 | 146.7 | -176.6 | 34.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 419 | E | 30.6 | Very low | 32.8 | Very low | 177 Ų | 177 | 161.1 Ų | 161.1 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | trans | 59.7 | 107.4 | 140.2 | -64.3 | 169.6 | -164.8 | 0 | 0 | 118.8 | | |
| 420 | Y | 30.9 | Very low | 32.6 | Very low | 229 Ų | 229 | 156.8 Ų | 156.8 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | | | trans | -136.6 | 93.3 | 148.2 | -133.2 | -94.9 | 0 | 0 | 0 | 109.9 | | |
| 421 | E | 30.8 | Very low | 32.7 | Very low | 169 Ų | 169 | 158.1 Ų | 158.1 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -93.6 | 117.4 | 172.5 | -167.8 | 167.7 | -159.2 | 0 | 0 | 108.1 | | |
| 422 | S | 32 | Very low | 32.6 | Very low | 95 Ų | 95 | 160.7 Ų | 160.7 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | | | trans | -145.9 | 98.1 | 169.4 | 177 | 0 | 0 | 0 | 0 | 110.5 | R424 | S422-R424 PolarHBondContact O-N 3.12Š|
| 423 | H | 31.7 | Very low | 32.6 | Very low | 157 Ų | 157 | 161.9 Ų | 161.9 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -33.4 | 124.6 | 166.1 | -54.4 | -76.6 | 0 | 0 | 0 | 114.4 | | |
| 424 | R | 35.1 | Very low | 32.3 | Very low | 246 Ų | 246 | 161.4 Ų | 161.4 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | | | trans | -122.9 | 107.5 | 156.8 | -80.3 | -164.8 | 177.7 | -157.5 | 2.2 | 110.3 | S422 | S422-R424 PolarHBondContact O-N 3.12Š|
| 425 | K | 34.6 | Very low | 32.3 | Very low | 205 Ų | 205 | 159 Ų | 159 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | | | trans | -25.6 | 125.5 | 171.6 | -68.6 | 174.5 | 174.4 | -179.2 | 0 | 116.1 | | |
| 426 | E | 34.6 | Very low | 31.9 | Very low | 184 Ų | 184 | 158.8 Ų | 158.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -50.9 | 141.8 | 155.1 | -68.5 | 162.2 | 158.4 | 0 | 0 | 111.1 | | |
| 427 | K | 35.4 | Very low | 32.1 | Very low | 198 Ų | 198 | 156.9 Ų | 156.9 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -131.6 | 85.1 | 173.8 | -155.7 | 176.4 | -172.2 | -179.3 | 0 | 107 | | |
| 428 | D | 33.1 | Very low | 31.9 | Very low | 146 Ų | 146 | 156.7 Ų | 156.7 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | | | trans | -62.8 | 127.6 | 163.8 | -79.4 | -35.3 | 0 | 0 | 0 | 109.5 | | |
| 429 | N | 33.6 | Very low | 31.9 | Very low | 149 Ų | 149 | 160.2 Ų | 160.2 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -145.6 | 106.7 | 151 | -87.9 | -25.3 | 0 | 0 | 0 | 107 | | |
| 430 | S | 27.9 | Very low | 31.7 | Very low | 98 Ų | 98 | 158.5 Ų | 158.5 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | | | trans | -48.3 | 141.7 | 156.9 | 50 | 0 | 0 | 0 | 0 | 111.7 | | |
| 431 | D | 35.9 | Very low | 31.7 | Very low | 140 Ų | 140 | 155.2 Ų | 155.2 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | | -175.3 | 121.6 | 128.7 | -87.8 | -20.9 | 0 | 0 | 0 | 111.7 | | |
| 432 | L | 31.5 | Very low | 31.5 | Very low | 149 Ų | 149 | 154.6 Ų | 154.6 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | trans | 25.7 | 128.3 | 145.1 | -69.4 | 97.8 | 0 | 0 | 0 | 120.2 | | |
| 433 | I | 33.4 | Very low | 31.1 | Very low | 158 Ų | 158 | 156.6 Ų | 156.6 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | | -173.4 | 125.6 | 102.4 | -85.4 | 151.8 | 0 | 0 | 0 | 109.2 | | |
| 434 | N | 28.5 | Very low | 31.1 | Very low | 150 Ų | 150 | 155.4 Ų | 155.4 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | -71.4 | 135 | 168.1 | -70.9 | -40.9 | 0 | 0 | 0 | 110.9 | | |
| 435 | T | 31.4 | Very low | 30.9 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | | | trans | -145.9 | 106.1 | 145 | 44.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 436 | L | 26.2 | Very low | 30.8 | Very low | 159 Ų | 159 | 151.3 Ų | 151.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -79.2 | 130 | 157.5 | -88.1 | 104.7 | 0 | 0 | 0 | 108.2 | | |
| 437 | S | 31.1 | Very low | 30.5 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -150.5 | 114.8 | 150 | -84.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 438 | P | 28.6 | Very low | 30.4 | Very low | 123 Ų | 123 | 150 Ų | 150 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | trans | -94.5 | 117.5 | 171.5 | 31.4 | -22.6 | 0 | 0 | 0 | 110.1 | | |
| 439 | E | 32.4 | Very low | 30.4 | Very low | 184 Ų | 184 | 151.1 Ų | 151.1 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -126.3 | 115.3 | 164.5 | -76.3 | -169.9 | 167 | 0 | 0 | 110.1 | | |
| 440 | L | 26.5 | Very low | 30.3 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | -50.6 | 131.3 | 160.8 | -110.3 | 82.6 | 0 | 0 | 0 | 109.8 | | |
| 441 | N | 32.3 | Very low | 30.3 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | trans | -157.5 | 120.2 | 140.8 | -86.7 | -42 | 0 | 0 | 0 | 109.3 | | |
| 442 | H | 25.6 | Very low | 30.2 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | trans | -76.4 | 137.5 | 170.5 | -55.9 | -84.3 | 0 | 0 | 0 | 109.4 | | |
| 443 | T | 24.5 | Very low | 30.2 | Very low | 137 Ų | 137 | 151.3 Ų | 151.3 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | | 159.6 | 142.3 | 128.4 | 34.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 444 | T | 30.6 | Very low | 30.2 | Very low | 132 Ų | 132 | 152 Ų | 152 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | 105.5 | 108.9 | 156.1 | -38.6 | 0 | 0 | 0 | 0 | 116 | | |
| 445 | E | 30.9 | Very low | 30.2 | Very low | 190 Ų | 190 | 149.9 Ų | 149.9 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -61.5 | 132.8 | 173.8 | -61.3 | 175.8 | 156.1 | 0 | 0 | 111.9 | R447 | E445-R447 PolarHBondContact O-N 3.14Š|
| 446 | E | 32.5 | Very low | 30.1 | Very low | 175 Ų | 175 | 150.5 Ų | 150.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -78.9 | 103.1 | 176.3 | -68.7 | -179.5 | 155.9 | 0 | 0 | 110.3 | N448 | E446-N448 PolarHBondContact O-N 2.72Š|
| 447 | R | 28.9 | Very low | 30.5 | Very low | 202 Ų | 202 | 148.9 Ų | 148.9 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -75.7 | 106 | 158.4 | -92.7 | -174.3 | -176.7 | 164.2 | 3.8 | 108.8 | E445 Y449 | E445-R447 PolarHBondContact O-N 3.14Å; R447-Y449 HydrophobicContact CB-CD2 4.07Å; R447-Y449 HydrophobicContact CB-CE2 3.76Å; R447-Y449 HydrophobicContact CG-CE2 4.35Å; R447-Y449 PolarHBondContact NH1-OH 2.97Å; R447-Y449 PolarHBondContact O-N 3.5Å; R447-Y449 VanDerWaalsContact O-N 3.09Å |
| 448 | N | 32.7 | Very low | 30.5 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -71.8 | 95.9 | 168 | -74.6 | -32.1 | 0 | 0 | 0 | 110.2 | E446 | E446-N448 PolarHBondContact O-N 2.72Š|
| 449 | Y | 32.7 | Very low | 30.8 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 67% | 0.667 | 78% | 0.782 | S | S | * | * | | | trans | -88.9 | 106.3 | 160.4 | -69.9 | -82.9 | 0 | 0 | 0 | 108.1 | R447 | R447-Y449 HydrophobicContact CB-CD2 4.07Å; R447-Y449 HydrophobicContact CB-CE2 3.76Å; R447-Y449 HydrophobicContact CG-CE2 4.35Å; R447-Y449 PolarHBondContact NH1-OH 2.97Å; R447-Y449 PolarHBondContact O-N 3.5Å; R447-Y449 VanDerWaalsContact O-N 3.09Å |
| 450 | S | 31.5 | Very low | 30.9 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | -103.7 | 93.6 | 165.7 | -169.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 451 | T | 28.6 | Very low | 31.4 | Very low | 106 Ų | 106 | 150.5 Ų | 150.5 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | trans | -116.4 | 87.5 | 175.3 | -41.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 452 | D | 34.1 | Very low | 31.6 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | | | trans | -118.3 | 128.3 | 172.2 | -81.5 | -27.9 | 0 | 0 | 0 | 110.8 | | |
| 453 | F | 31.9 | Very low | 32.1 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | trans | -69.7 | 136.6 | -172.3 | -75 | -112.4 | 0 | 0 | 0 | 112.2 | | |
| 454 | I | 33.7 | Very low | 32.5 | Very low | 173 Ų | 173 | 153.3 Ų | 153.3 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | | | trans | -128.4 | 86.1 | 150.3 | -57.4 | -179 | 0 | 0 | 0 | 107.6 | | |
| 455 | T | 28.3 | Very low | 32.8 | Very low | 104 Ų | 104 | 154.5 Ų | 154.5 | 64% | 0.638 | 78% | 0.776 | S | S | * | * | | | trans | -94.8 | 118.4 | 155.1 | 34.4 | 0 | 0 | 0 | 0 | 107 | | |
| 456 | D | 28.7 | Very low | 32.9 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | trans | 173.1 | 149.4 | 140.8 | -90.1 | -20.4 | 0 | 0 | 0 | 112.2 | | |
| 457 | V | 34.9 | Very low | 33 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | 84 | 86.9 | 165.2 | -159.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 458 | L | 31.1 | Very low | 33.1 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | | 52.2 | 103.3 | 87.3 | -65.1 | 171.8 | 0 | 0 | 0 | 114 | | |
| 459 | N | 35.5 | Very low | 33.3 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | | | | -149.7 | 109.5 | 129 | -89.1 | -30.5 | 0 | 0 | 0 | 108.7 | | |
| 460 | K | 33.8 | Very low | 33.1 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | | | trans | -85.7 | 111.3 | 166.7 | -77.2 | -131.4 | 177 | -166.3 | 0 | 107.1 | | |
| 461 | D | 37.3 | Very low | 33.3 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -112.3 | 83 | 161.2 | -74.3 | -36.7 | 0 | 0 | 0 | 107.6 | Y463 | D461-Y463 PolarHBondContact O-N 2.74Š|
| 462 | D | 35.5 | Very low | 33.5 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | trans | -70.6 | 100.1 | 165.5 | -69.7 | -42 | 0 | 0 | 0 | 107.7 | | |
| 463 | Y | 37.1 | Very low | 33.3 | Very low | 224 Ų | 224 | 151.3 Ų | 151.3 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | | | trans | -94.9 | 102.2 | 162.5 | -93.7 | -84.8 | 0 | 0 | 0 | 109.2 | D461 | D461-Y463 PolarHBondContact O-N 2.74Š|
| 464 | D | 32.6 | Very low | 33.3 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -117.8 | 91.2 | 174.1 | -165.8 | 13.1 | 0 | 0 | 0 | 107.3 | | |
| 465 | D | 36 | Very low | 33.2 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -154.3 | 105 | 168.9 | -151.1 | 5.1 | 0 | 0 | 0 | 111.3 | | |
| 466 | G | 33.6 | Very low | 33.4 | Very low | 73 Ų | 73 | 153.2 Ų | 153.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | trans | 175.9 | 46.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N468 | G466-N468 PolarHBondContact O-N 3.01Š|
| 467 | K | 35.1 | Very low | 33.3 | Very low | 185 Ų | 185 | 153.4 Ų | 153.4 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -55.6 | 131.8 | -179.8 | -64.2 | -156 | 179.8 | -172.4 | 0 | 113.5 | | |
| 468 | N | 31.4 | Very low | 33.1 | Very low | 146 Ų | 146 | 152.7 Ų | 152.7 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | trans | 31.5 | 102.7 | 131.3 | -63.7 | 1.3 | 0 | 0 | 0 | 117.4 | G466 | G466-N468 PolarHBondContact O-N 3.01Š|
| 469 | K | 35.5 | Very low | 33 | Very low | 199 Ų | 199 | 154.1 Ų | 154.1 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | | | trans | -116.8 | 88 | 139.4 | -79.8 | -173.4 | 179.3 | 177.8 | 0 | 109.3 | F471 | K469-F471 PolarHBondContact O-N 2.83Š|
| 470 | L | 29.4 | Very low | 32.9 | Very low | 145 Ų | 145 | 154.8 Ų | 154.8 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | -61.3 | 114.5 | 160.7 | -169.1 | 82.7 | 0 | 0 | 0 | 108 | T472 | L470-T472 HydrophobicContact CD2-CG2 4.04Å; L470-T472 HydrophobicContact CG-CG2 4.25Å |
| 471 | F | 34.6 | Very low | 32.7 | Very low | 195 Ų | 195 | 155.1 Ų | 155.1 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | -106.9 | 107.8 | 154.6 | -90.8 | -78.6 | 0 | 0 | 0 | 107 | K469 | K469-F471 PolarHBondContact O-N 2.83Š|
| 472 | T | 33.6 | Very low | 32.5 | Very low | 98 Ų | 98 | 155.1 Ų | 155.1 | 60% | 0.601 | 78% | 0.782 | S | S | * | * | | | trans | -68.7 | 125.7 | 170.3 | 33 | 0 | 0 | 0 | 0 | 110.7 | L470 | L470-T472 HydrophobicContact CD2-CG2 4.04Å; L470-T472 HydrophobicContact CG-CG2 4.25Å |
| 473 | E | 29.6 | Very low | 32.1 | Very low | 153 Ų | 153 | 156.9 Ų | 156.9 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | | | | 50.7 | 93.1 | 117.1 | -146.7 | 169.2 | -145.3 | 0 | 0 | 117 | Q475 | E473-Q475 HydrophobicContact CG-CG 4.43Š|
| 474 | D | 33 | Very low | 31.7 | Very low | 170 Ų | 170 | 154.1 Ų | 154.1 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | | | trans | -114.4 | 101 | 149.3 | -82.3 | -34 | 0 | 0 | 0 | 107.6 | | |
| 475 | Q | 30.5 | Very low | 31.5 | Very low | 161 Ų | 161 | 155.2 Ų | 155.2 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | trans | -77 | 111.7 | 163.4 | -76.5 | 176.7 | -23.2 | 0 | 0 | 107.9 | E473 | E473-Q475 HydrophobicContact CG-CG 4.43Š|
| 476 | D | 32.9 | Very low | 30.8 | Very low | 156 Ų | 156 | 159.4 Ų | 159.4 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | trans | -133.6 | 97.2 | 154.7 | -91.9 | -33.4 | 0 | 0 | 0 | 108.7 | | |
| 477 | N | 27.1 | Very low | 30.5 | Very low | 150 Ų | 150 | 161.5 Ų | 161.5 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | -84.8 | 106.1 | 172.4 | -154.8 | 14.6 | 0 | 0 | 0 | 107 | | |
| 478 | V | 31 | Very low | 30 | Very low | 109 Ų | 109 | 158.9 Ų | 158.9 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | | | trans | -130.5 | 88.5 | 168.8 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | K480 | V478-K480 HydrophobicContact CG1-CD 4.47Å; V478-K480 HydrophobicContact CG1-CG 4.1Å; V478-K480 PolarHBondContact O-N 2.81Å |
| 479 | E | 28.5 | Very low | 30 | Very low | 173 Ų | 173 | 159.4 Ų | 159.4 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | | | trans | -56.9 | 118.1 | 156 | -76.2 | 172.5 | 151.3 | 0 | 0 | 108.8 | | |
| 480 | K | 33.5 | Very low | 29.6 | Very low | 171 Ų | 171 | 153 Ų | 153 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -132.9 | 87.5 | 157.2 | -80.2 | -172.1 | 179.4 | -178.8 | 0 | 108.4 | V478 D482 | V478-K480 HydrophobicContact CG1-CD 4.47Å; V478-K480 HydrophobicContact CG1-CG 4.1Å; V478-K480 PolarHBondContact O-N 2.81Å; K480-D482 PolarHBondContact O-N 3.34Å |
| 481 | E | 30 | Very low | 29.5 | Very low | 167 Ų | 167 | 153.8 Ų | 153.8 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | | | trans | -68.8 | 93.3 | 156.9 | -71.5 | -177.5 | 142.6 | 0 | 0 | 108.3 | | |
| 482 | D | 32.6 | Very low | 29.1 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | trans | -94 | 95.3 | 164.3 | -82.9 | -29.7 | 0 | 0 | 0 | 108.8 | K480 L484 | K480-D482 PolarHBondContact O-N 3.34Å; D482-L484 PolarHBondContact O-N 2.88Å |
| 483 | H | 27.7 | Very low | 28.9 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -58.6 | 108.8 | 162.4 | -69.6 | -63.3 | 0 | 0 | 0 | 110.2 | | |
| 484 | L | 27.4 | Very low | 28.8 | Very low | 167 Ų | 167 | 153.7 Ų | 153.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -118.3 | 91.9 | 162.3 | -87.4 | 159.1 | 0 | 0 | 0 | 109.6 | D482 | D482-L484 PolarHBondContact O-N 2.88Š|
| 485 | Q | 28.1 | Very low | 28.6 | Very low | 181 Ų | 181 | 153.5 Ų | 153.5 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -68.2 | 150.9 | 172 | -126.2 | 172.7 | 1 | 0 | 0 | 111.4 | | |
| 486 | W | 22.5 | Very low | 28.4 | Very low | 243 Ų | 243 | 152.8 Ų | 152.8 | 92% | 0.92 | 79% | 0.789 | S | S | * | * | | | trans | -46.9 | 134.7 | -176.2 | -58.5 | -31 | 0 | 0 | 0 | 115.8 | | |
| 487 | S | 27.3 | Very low | 28.1 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -101.9 | 104 | 160.2 | -66.8 | 0 | 0 | 0 | 0 | 109 | | |
| 488 | V | 24 | Very low | 28.1 | Very low | 129 Ų | 129 | 152.2 Ų | 152.2 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | | | trans | -93.6 | 105.2 | 163.9 | 176.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 489 | N | 32.3 | Very low | 28.1 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | trans | -146.1 | 118.2 | 162.4 | -74.4 | -39.4 | 0 | 0 | 0 | 103.2 | | |
| 490 | G | 25.5 | Very low | 28 | Very low | 64 Ų | 64 | 150.4 Ų | 150.4 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | | | | 114.1 | 100.7 | 53.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 491 | D | 27.8 | Very low | 27.9 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | trans | 67.2 | 109.5 | 149.8 | -54.3 | -24.4 | 0 | 0 | 0 | 121.6 | | |
| 492 | S | 25.9 | Very low | 27.7 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | | 54.2 | 105.6 | 121.1 | 177.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 493 | L | 29.3 | Very low | 27.6 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | -151.8 | 115.1 | 146.7 | -142.5 | 79.3 | 0 | 0 | 0 | 113.3 | | |
| 494 | Y | 28.4 | Very low | 27.6 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | | | trans | 61.5 | 89 | 143.5 | -90.6 | -117.5 | 0 | 0 | 0 | 119.4 | Q496 | Y494-Q496 HydrophobicContact CD1-CG 3.72Å; Y494-Q496 HydrophobicContact CE1-CG 3.92Å; Y494-Q496 VanDerWaalsContact CE1-NE2 3.33Å |
| 495 | I | 27.7 | Very low | 27.7 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -107.6 | 98.8 | 146 | -59.5 | 177 | 0 | 0 | 0 | 106.4 | Q497 | I495-Q497 PolarHBondContact O-N 3.31Š|
| 496 | Q | 27.3 | Very low | 27.7 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | -74 | 105.5 | 172.3 | -81.3 | -179.2 | -25.7 | 0 | 0 | 109.2 | Y494 T498 | Y494-Q496 HydrophobicContact CD1-CG 3.72Å; Y494-Q496 HydrophobicContact CE1-CG 3.92Å; Y494-Q496 VanDerWaalsContact CE1-NE2 3.33Å; Q496-T498 PolarHBondContact O-N 3.39Å |
| 497 | Q | 25.6 | Very low | 28.2 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | | | trans | -73.3 | 107.4 | 159.9 | -79.6 | 174.1 | -16 | 0 | 0 | 108.6 | I495 | I495-Q497 PolarHBondContact O-N 3.31Š|
| 498 | T | 28.9 | Very low | 28.3 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -88.6 | 105.2 | 165.9 | 52.1 | 0 | 0 | 0 | 0 | 108.7 | Q496 | Q496-T498 PolarHBondContact O-N 3.39Š|
| 499 | N | 30.9 | Very low | 28.6 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | -76.7 | 127.9 | 171.4 | -72 | -41.2 | 0 | 0 | 0 | 110.6 | | |
| 500 | S | 24.6 | Very low | 28.5 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | 27.9 | 134.2 | 147 | -43.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 501 | P | 32.5 | Very low | 28.6 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | | -126.6 | 116.9 | 123.4 | 13.1 | 7.1 | 0 | 0 | 0 | 110.6 | I503 | P501-I503 PolarHBondContact O-N 2.9Š|
| 502 | S | 26.2 | Very low | 28.9 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -69.3 | 114.3 | 165.6 | 60.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 503 | I | 30.1 | Very low | 29.2 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -107.3 | 93.1 | 165 | -66.5 | 172.5 | 0 | 0 | 0 | 105.5 | P501 | P501-I503 PolarHBondContact O-N 2.9Š|
| 504 | N | 26.8 | Very low | 29.2 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | -64 | 124.4 | 148.1 | -78.3 | -23.7 | 0 | 0 | 0 | 105.8 | | |
| 505 | D | 29.9 | Very low | 29.3 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | | 172.8 | 134.3 | 127.9 | -84.9 | -23.8 | 0 | 0 | 0 | 111.2 | | |
| 506 | E | 29.4 | Very low | 29.4 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | | | trans | 85.2 | 119.9 | 146.8 | -78.6 | -168.1 | 147.2 | 0 | 0 | 121.5 | | |
| 507 | K | 32.3 | Very low | 29.3 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 65% | 0.652 | 77% | 0.772 | S | S | * | * | | | trans | 96.3 | 84.5 | 138.2 | -70.3 | 162.9 | -178.3 | 144.4 | 0 | 116.9 | T509 | K507-T509 PolarHBondContact O-N 2.86Å; K507-T509 VanDerWaalsContact O-N 3.15Å |
| 508 | H | 29.7 | Very low | 29.6 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 91% | 0.912 | 77% | 0.768 | S | S | * | * | | | trans | -39.3 | 113.7 | 141.7 | -60.3 | -76.8 | 0 | 0 | 0 | 110.3 | | |
| 509 | T | 30.6 | Very low | 29.6 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -103.4 | 100.7 | 160.9 | 2.6 | 0 | 0 | 0 | 0 | 106 | K507 I511 | K507-T509 PolarHBondContact O-N 2.86Å; K507-T509 VanDerWaalsContact O-N 3.15Å; T509-I511 PolarHBondContact O-N 3.46Å |
| 510 | E | 28.6 | Very low | 29.5 | Very low | 185 Ų | 185 | 143.3 Ų | 143.3 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -53.2 | 113.2 | 165.7 | -171.6 | 173.8 | -170.9 | 0 | 0 | 108.1 | | |
| 511 | I | 28.9 | Very low | 29.7 | Very low | 160 Ų | 160 | 143 Ų | 143 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | | | trans | -98.1 | 117.7 | 172.7 | -64.2 | 176.6 | 0 | 0 | 0 | 106.6 | T509 | T509-I511 PolarHBondContact O-N 3.46Š|
| 512 | D | 33.1 | Very low | 29.5 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | trans | -45.1 | 127.1 | -173.2 | -63.9 | -57.4 | 0 | 0 | 0 | 114.4 | I514 | D512-I514 PolarHBondContact O-N 2.58Å; D512-I514 VanDerWaalsContact O-N 3.12Å |
| 513 | A | 32.1 | Very low | 29.7 | Very low | 85 Ų | 85 | 148.4 Ų | 148.4 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | trans | -60 | 111.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | N515 | A513-N515 PolarHBondContact O-N 2.94Š|
| 514 | I | 30 | Very low | 29.6 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | | | trans | -69.8 | 98.9 | 176.3 | -62.2 | 174.7 | 0 | 0 | 0 | 108.6 | D512 N516 | D512-I514 PolarHBondContact O-N 2.58Å; D512-I514 VanDerWaalsContact O-N 3.12Å; I514-N516 VanDerWaalsContact C-N 3.32Å; I514-N516 PolarHBondContact O-N 2.88Å |
| 515 | N | 29.7 | Very low | 29.9 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | -65.9 | 78.6 | 172 | -78.9 | -48.5 | 0 | 0 | 0 | 111.8 | A513 R517 | A513-N515 PolarHBondContact O-N 2.94Å; N515-R517 VanDerWaalsContact C-N 3.35Å; N515-R517 PolarHBondContact O-N 3.44Å |
| 516 | N | 30.2 | Very low | 29.7 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | -88 | 80.9 | 165.7 | -77.4 | -22.9 | 0 | 0 | 0 | 110.4 | I514 T518 | I514-N516 VanDerWaalsContact C-N 3.32Å; I514-N516 PolarHBondContact O-N 2.88Å; N516-T518 PolarHBondContact O-N 2.85Å; N516-T518 VanDerWaalsContact O-N 3.11Å |
| 517 | R | 25.4 | Very low | 29.5 | Very low | 232 Ų | 232 | 145 Ų | 145 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | | | trans | -53.2 | 108.1 | 156.6 | -83.1 | 176.6 | 169.2 | 178.6 | -3 | 109.2 | N515 | N515-R517 VanDerWaalsContact C-N 3.35Å; N515-R517 PolarHBondContact O-N 3.44Å |
| 518 | T | 31.4 | Very low | 29.3 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | | | trans | -130.5 | 86.2 | 150.6 | -46.3 | 0 | 0 | 0 | 0 | 107.7 | N516 L520 | N516-T518 PolarHBondContact O-N 2.85Å; N516-T518 VanDerWaalsContact O-N 3.11Å; T518-L520 HydrophobicContact CG2-CG 4.24Å; T518-L520 PolarHBondContact O-N 3.17Å |
| 519 | S | 28.3 | Very low | 29.5 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | -64.5 | 94.6 | 166.3 | -51.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 520 | L | 29.3 | Very low | 29.3 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | -89.3 | 117.4 | 163.9 | -80.9 | 165.2 | 0 | 0 | 0 | 107.7 | T518 | T518-L520 HydrophobicContact CG2-CG 4.24Å; T518-L520 PolarHBondContact O-N 3.17Å |
| 521 | S | 29.2 | Very low | 29.7 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | | | trans | -65.2 | 132 | -174 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | K523 | S521-K523 VanDerWaalsContact C-N 3.31Å; S521-K523 PolarHBondContact O-N 3.34Å |
| 522 | D | 28.7 | Very low | 30.1 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -64.9 | 85.7 | 165.7 | -67.9 | -45.2 | 0 | 0 | 0 | 111 | | |
| 523 | K | 29.6 | Very low | 30.2 | Very low | 179 Ų | 179 | 140 Ų | 140 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | | | trans | -162.2 | 127.8 | 161.3 | -107.8 | 155 | -175.6 | 170 | 0 | 106.9 | S521 | S521-K523 VanDerWaalsContact C-N 3.31Å; S521-K523 PolarHBondContact O-N 3.34Å |
| 524 | D | 29.2 | Very low | 30.9 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 105.5 | 38.9 | 170.5 | -51 | -20.4 | 0 | 0 | 0 | 117.8 | | |
| 525 | I | 31.6 | Very low | 31.3 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | | | trans | -135.2 | 61.1 | 148 | -44.3 | 176.2 | 0 | 0 | 0 | 110.3 | G527 | I525-G527 PolarHBondContact O-N 3.2Š|
| 526 | C | 25.5 | Very low | 31.8 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 97% | 0.973 | 77% | 0.769 | S | S | * | * | | | trans | -92 | 79.8 | 159.3 | -167.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 527 | G | 25.2 | Very low | 32.5 | Very low | 50 Ų | 50 | 134.4 Ų | 134.4 | 52% | 0.515 | 76% | 0.759 | S | S | . | * | | | trans | -145.9 | 66.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I525 N529 | I525-G527 PolarHBondContact O-N 3.2Å; G527-N529 PolarHBondContact O-N 2.98Å |
| 528 | K | 29.4 | Very low | 33.2 | Very low | 204 Ų | 204 | 131.3 Ų | 131.3 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | | | trans | 47.6 | 63.1 | 150.3 | -59.8 | -178.2 | 177.9 | 175.2 | 0 | 117.6 | | |
| 529 | N | 33.3 | Very low | 33.6 | Very low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | | | trans | -117.3 | 61.3 | 151.4 | -72.3 | -16.5 | 0 | 0 | 0 | 109.1 | G527 L531 | G527-N529 PolarHBondContact O-N 2.98Å; N529-L531 PolarHBondContact O-N 3.13Å |
| 530 | G | 27.2 | Very low | 34.5 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 81% | 0.814 | 72% | 0.72 | S | S | * | * | | | trans | -77.2 | 66.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | E532 | G530-E532 PolarHBondContact O-N 3.06Š|
| 531 | L | 36.6 | Very low | 35.2 | Very low | 150 Ų | 150 | 124 Ų | 124 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | | | trans | -86.7 | 96.7 | 163.6 | -84.1 | 165.2 | 0 | 0 | 0 | 105.5 | N529 S533 | N529-L531 PolarHBondContact O-N 3.13Å; L531-S533 PolarHBondContact O-N 3.25Å |
| 532 | E | 36.6 | Very low | 35.9 | Very low | 184 Ų | 184 | 123 Ų | 123 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | | | trans | -52.4 | 104.1 | 167.5 | -74.9 | 171.9 | 151.9 | 0 | 0 | 108.7 | G530 G534 | G530-E532 PolarHBondContact O-N 3.06Å; E532-G534 PolarHBondContact O-N 2.72Å |
| 533 | S | 35.6 | Very low | 36.8 | Very low | 81 Ų | 81 | 120 Ų | 120 | 57% | 0.566 | 68% | 0.675 | S | S | * | * | | | trans | -74.3 | 33 | 172.4 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | L531 | L531-S533 PolarHBondContact O-N 3.25Š|
| 534 | G | 47.4 | Very low | 37.7 | Very low | 53 Ų | 53 | 115.7 Ų | 115.7 | 55% | 0.546 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -72.8 | -45.9 | -170 | 0 | 0 | 0 | 0 | 0 | 115.3 | E532 | E532-G534 PolarHBondContact O-N 2.72Å |
| 535 | P | 38.8 | Very low | 38.5 | Very low | 108 Ų | 108 | 112.1 Ų | 112.1 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -88.1 | -30.1 | -173.2 | -12.7 | 29.2 | 0 | 0 | 0 | 114.4 | A539 | P535-A539 PolarHBondContact O-N 2.84Å |
| 536 | L | 39.5 | Very low | 39.3 | Very low | 136 Ų | 136 | 110 Ų | 110 | 71% | 0.712 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76 | -35.3 | -174.9 | -109.5 | 157.9 | 0 | 0 | 0 | 112.4 | Y538 T540 | L536-Y538 VanDerWaalsContact C-N 3.32Å; L536-Y538 PolarHBondContact O-N 3.14Å; L536-T540 PolarHBondContact O-N 2.9Å; L536-T540 PolarHBondContact O-OG1 3.37Å; L536-T540 VanDerWaalsContact O-OG1 3.12Å |
| 537 | L | 43.9 | Very low | 40.2 | Very low | 104 Ų | 104 | 108.5 Ų | 108.5 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.1 | -30.5 | 175.2 | -75.9 | 171.3 | 0 | 0 | 0 | 112.4 | T540 Q541 | L537-T540 WeakPolarHBondContact CA-OG1 3.42Å; L537-T540 PolarHBondContact O-OG1 3.36Å; L537-Q541 WeakPolarHBondContact O-CB 3.41Å; L537-Q541 PolarHBondContact O-N 2.95Å |
| 538 | Y | 41.1 | Very low | 41.2 | Very low | 166 Ų | 166 | 111.4 Ų | 111.4 | 65% | 0.651 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.4 | -39.7 | 178.8 | -157 | -96.4 | 0 | 0 | 0 | 112.1 | L536 Q541 N542 | L536-Y538 VanDerWaalsContact C-N 3.32Å; L536-Y538 PolarHBondContact O-N 3.14Å; Y538-Q541 PolarHBondContact O-N 3.07Å; Y538-N542 PolarHBondContact O-N 3Å; Y538-N542 VanDerWaalsContact O-N 3.16Å |
| 539 | A | 39.6 | Very low | 42 | Very low | 63 Ų | 63 | 106.1 Ų | 106.1 | 52% | 0.521 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.6 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P535 L543 | P535-A539 PolarHBondContact O-N 2.84Å; A539-L543 PolarHBondContact O-N 3.13Å |
| 540 | T | 47.1 | Very low | 42.6 | Very low | 64 Ų | 64 | 103.3 Ų | 103.3 | 39% | 0.393 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.1 | -34.9 | 176.5 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | L536 L537 L543 I544 | L536-T540 PolarHBondContact O-N 2.9Å; L536-T540 PolarHBondContact O-OG1 3.37Å; L536-T540 VanDerWaalsContact O-OG1 3.12Å; L537-T540 WeakPolarHBondContact CA-OG1 3.42Å; L537-T540 PolarHBondContact O-OG1 3.36Å; T540-L543 PolarHBondContact O-N 3.33Å; T540-I544 VanDerWaalsContact O-CG1 3.3Å; T540-I544 WeakPolarHBondContact O-CG1 3.24Å; T540-I544 PolarHBondContact O-N 3.41Å; T540-I544 VanDerWaalsContact O-N 3.08Å |
| 541 | Q | 44.6 | Very low | 43.4 | Very low | 102 Ų | 102 | 106.3 Ų | 106.3 | 48% | 0.477 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.3 | -39.2 | 178.6 | -159.7 | 73.5 | 48.4 | 0 | 0 | 111.8 | L537 Y538 I544 N545 | L537-Q541 WeakPolarHBondContact O-CB 3.41Å; L537-Q541 PolarHBondContact O-N 2.95Å; Y538-Q541 PolarHBondContact O-N 3.07Å; Q541-I544 PolarHBondContact O-N 3.4Å; Q541-N545 VanDerWaalsContact O-CG 3.3Å; Q541-N545 PolarHBondContact O-N 3.05Å |
| 542 | N | 44.4 | Very low | 43.7 | Very low | 78 Ų | 78 | 106.3 Ų | 106.3 | 42% | 0.417 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.4 | -41.2 | 174.6 | -89.7 | 11.3 | 0 | 0 | 0 | 112.1 | Y538 I544 N545 E546 | Y538-N542 PolarHBondContact O-N 3Å; Y538-N542 VanDerWaalsContact O-N 3.16Å; N542-I544 VanDerWaalsContact C-N 3.33Å; N542-I544 PolarHBondContact O-N 3.16Å; N542-N545 PolarHBondContact O-N 3.05Å; N542-E546 PolarHBondContact O-N 2.99Å |
| 543 | L | 46.9 | Very low | 43.8 | Very low | 103 Ų | 103 | 104.6 Ų | 104.6 | 54% | 0.539 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.9 | -39.2 | 177.6 | -163.6 | 84.5 | 0 | 0 | 0 | 111.8 | A539 T540 E546 L547 | A539-L543 PolarHBondContact O-N 3.13Å; T540-L543 PolarHBondContact O-N 3.33Å; L543-E546 PolarHBondContact O-N 3.41Å; L543-L547 HydrophobicContact CD2-CD1 4.49Å; L543-L547 HydrophobicContact CG-CD1 4.35Å; L543-L547 WeakPolarHBondContact O-CB 3.27Å; L543-L547 VanDerWaalsContact O-CG 3.32Å; L543-L547 WeakPolarHBondContact O-CG 3.42Å; L543-L547 PolarHBondContact O-N 3.28Å |
| 544 | I | 48.9 | Very low | 44.2 | Very low | 89 Ų | 89 | 105.4 Ų | 105.4 | 46% | 0.456 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.4 | -42.1 | 176.9 | -67.7 | 166.2 | 0 | 0 | 0 | 110.5 | T540 Q541 N542 L547 Q548 | T540-I544 VanDerWaalsContact O-CG1 3.3Å; T540-I544 WeakPolarHBondContact O-CG1 3.24Å; T540-I544 PolarHBondContact O-N 3.41Å; T540-I544 VanDerWaalsContact O-N 3.08Å; Q541-I544 PolarHBondContact O-N 3.4Å; N542-I544 VanDerWaalsContact C-N 3.33Å; N542-I544 PolarHBondContact O-N 3.16Å; I544-L547 PolarHBondContact O-N 2.84Å; I544-Q548 WeakPolarHBondContact O-CB 3.43Å; I544-Q548 PolarHBondContact O-N 3.35Å |
| 545 | N | 45.9 | Very low | 44.2 | Very low | 78 Ų | 78 | 110.6 Ų | 110.6 | 42% | 0.417 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.9 | -37.7 | 177.5 | -70.5 | -6.1 | 0 | 0 | 0 | 112.4 | Q541 N542 T549 | Q541-N545 VanDerWaalsContact O-CG 3.3Å; Q541-N545 PolarHBondContact O-N 3.05Å; N542-N545 PolarHBondContact O-N 3.05Å; N545-T549 PolarHBondContact O-N 2.93Å; N545-T549 VanDerWaalsContact O-N 3.1Å; N545-T549 PolarHBondContact O-OG1 2.85Å |
| 546 | E | 47.9 | Very low | 44.4 | Very low | 124 Ų | 124 | 113 Ų | 113 | 58% | 0.579 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67 | -41.7 | 174.2 | -80.6 | -178.1 | 178.5 | 0 | 0 | 111.8 | N542 L543 Q548 T549 V550 | N542-E546 PolarHBondContact O-N 2.99Å; L543-E546 PolarHBondContact O-N 3.41Å; E546-Q548 PolarHBondContact O-N 3.08Å; E546-T549 WeakPolarHBondContact CA-OG1 3.22Å; E546-T549 PolarHBondContact O-N 2.93Å; E546-T549 PolarHBondContact O-OG1 2.73Å; E546-V550 WeakPolarHBondContact O-CG2 3.07Å; E546-V550 PolarHBondContact O-N 3.24Å; E546-V550 VanDerWaalsContact O-N 3.17Å |
| 547 | L | 45.2 | Very low | 44.5 | Very low | 112 Ų | 112 | 117 Ų | 117 | 59% | 0.586 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.4 | -35.3 | 177.4 | -70.4 | 173.8 | 0 | 0 | 0 | 112.4 | L543 I544 T549 V550 E551 | L543-L547 HydrophobicContact CD2-CD1 4.49Å; L543-L547 HydrophobicContact CG-CD1 4.35Å; L543-L547 WeakPolarHBondContact O-CB 3.27Å; L543-L547 VanDerWaalsContact O-CG 3.32Å; L543-L547 WeakPolarHBondContact O-CG 3.42Å; L543-L547 PolarHBondContact O-N 3.28Å; I544-L547 PolarHBondContact O-N 2.84Å; L547-T549 VanDerWaalsContact C-N 3.31Å; L547-T549 PolarHBondContact O-N 3.45Å; L547-V550 PolarHBondContact O-N 2.9Å; L547-E551 PolarHBondContact O-N 3.26Å |
| 548 | Q | 45.8 | Very low | 44.3 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 52% | 0.523 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.1 | -24.7 | 177.6 | -154.6 | 172.9 | 1.7 | 0 | 0 | 112.5 | I544 E546 H552 | I544-Q548 WeakPolarHBondContact O-CB 3.43Å; I544-Q548 PolarHBondContact O-N 3.35Å; E546-Q548 PolarHBondContact O-N 3.08Å; Q548-H552 PolarHBondContact O-CD2 2.95Å; Q548-H552 VanDerWaalsContact O-CD2 3.26Å |
| 549 | T | 45.6 | Very low | 44.1 | Very low | 93 Ų | 93 | 118.1 Ų | 118.1 | 57% | 0.571 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -78.4 | -26.5 | 171.9 | 32.2 | 0 | 0 | 0 | 0 | 112.8 | N545 E546 L547 | N545-T549 PolarHBondContact O-N 2.93Å; N545-T549 VanDerWaalsContact O-N 3.1Å; N545-T549 PolarHBondContact O-OG1 2.85Å; E546-T549 WeakPolarHBondContact CA-OG1 3.22Å; E546-T549 PolarHBondContact O-N 2.93Å; E546-T549 PolarHBondContact O-OG1 2.73Å; L547-T549 VanDerWaalsContact C-N 3.31Å; L547-T549 PolarHBondContact O-N 3.45Å |
| 550 | V | 46.8 | Very low | 43.9 | Very low | 90 Ų | 90 | 120.7 Ų | 120.7 | 55% | 0.545 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -77 | -30.8 | 174.8 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | E546 L547 H552 L553 | E546-V550 WeakPolarHBondContact O-CG2 3.07Å; E546-V550 PolarHBondContact O-N 3.24Å; E546-V550 VanDerWaalsContact O-N 3.17Å; L547-V550 PolarHBondContact O-N 2.9Å; V550-H552 PolarHBondContact O-N 2.78Å; V550-L553 PolarHBondContact O-N 2.96Å |
| 551 | E | 43.8 | Very low | 43.2 | Very low | 142 Ų | 142 | 125 Ų | 125 | 66% | 0.664 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -67.5 | -20.5 | -179.9 | -163.1 | 169.6 | -161.5 | 0 | 0 | 113.4 | L547 T554 | L547-E551 PolarHBondContact O-N 3.26Å; E551-T554 PolarHBondContact O-OG1 2.91Å |
| 552 | H | 41.6 | Very low | 42.5 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 69% | 0.694 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -88.5 | 4.4 | 177.4 | -67.5 | -51 | 0 | 0 | 0 | 114.9 | Q548 V550 | Q548-H552 PolarHBondContact O-CD2 2.95Å; Q548-H552 VanDerWaalsContact O-CD2 3.26Å; V550-H552 PolarHBondContact O-N 2.78Å |
| 553 | L | 40.2 | Very low | 41.8 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 78% | 0.775 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -105.9 | 11.9 | 177.6 | -72.4 | 172.6 | 0 | 0 | 0 | 114.1 | V550 | V550-L553 PolarHBondContact O-N 2.96Š|
| 554 | T | 43.2 | Very low | 40.9 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 61% | 0.607 | 68% | 0.684 | S | S | * | * | | | trans | -113.1 | 17.4 | -173.4 | 57.8 | 0 | 0 | 0 | 0 | 116.6 | E551 | E551-T554 PolarHBondContact O-OG1 2.91Š|
| 555 | D | 46.7 | Very low | 40 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 86% | 0.861 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -88.1 | -13 | 171.8 | -86.8 | -12.2 | 0 | 0 | 0 | 114.1 | R557 | D555-R557 PolarHBondContact O-N 2.97Š|
| 556 | D | 43.3 | Very low | 39.3 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | | | trans | -83.7 | 65.9 | 168.9 | -75.9 | -22.9 | 0 | 0 | 0 | 110.2 | P558 | D556-P558 WeakPolarHBondContact O-CD 3.43Š|
| 557 | R | 41.5 | Very low | 38.5 | Very low | 222 Ų | 222 | 135 Ų | 135 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | | | trans | -72.7 | 110.2 | 166.7 | -172.1 | 175.2 | -173.6 | 171.6 | 3.2 | 107.3 | D555 E559 | D555-R557 PolarHBondContact O-N 2.97Å; R557-E559 PolarHBondContact O-N 3.04Å; R557-E559 VanDerWaalsContact O-N 3.14Å |
| 558 | P | 40.1 | Very low | 37.9 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | | | trans | -60.9 | 123 | 179.6 | 24.1 | -32.2 | 0 | 0 | 0 | 109 | D556 | D556-P558 WeakPolarHBondContact O-CD 3.43Š|
| 559 | E | 36.4 | Very low | 37.1 | Very low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | | | trans | -56 | 135.7 | 171.7 | -72.8 | -171.7 | 157 | 0 | 0 | 108.9 | R557 L561 | R557-E559 PolarHBondContact O-N 3.04Å; R557-E559 VanDerWaalsContact O-N 3.14Å; E559-L561 PolarHBondContact O-N 3.1Å |
| 560 | P | 35 | Very low | 36.6 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | | | trans | -62.7 | 110.3 | 179.1 | 24 | -31.2 | 0 | 0 | 0 | 109.3 | N562 | P560-N562 PolarHBondContact O-N 3.39Š|
| 561 | L | 32.4 | Very low | 35.8 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | | | trans | -56.8 | 101.8 | 172.4 | -111.9 | 114 | 0 | 0 | 0 | 109 | E559 I563 | E559-L561 PolarHBondContact O-N 3.1Å; L561-I563 VanDerWaalsContact C-N 3.26Å; L561-I563 HydrophobicContact CB-CG1 4.22Å; L561-I563 HydrophobicContact CD2-CD1 4.33Å; L561-I563 HydrophobicContact CD2-CG1 3.98Å; L561-I563 PolarHBondContact O-N 3.05Å |
| 562 | N | 30.6 | Very low | 35.3 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | -72.5 | 84.1 | 168.8 | -96.8 | -34.5 | 0 | 0 | 0 | 108.3 | P560 S564 | P560-N562 PolarHBondContact O-N 3.39Å; N562-S564 PolarHBondContact O-N 3.43Å; N562-S564 VanDerWaalsContact O-N 3.16Å |
| 563 | I | 29.2 | Very low | 34.7 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | | | trans | -80.2 | 95.1 | 171 | -49.3 | 172 | 0 | 0 | 0 | 107 | L561 V565 | L561-I563 VanDerWaalsContact C-N 3.26Å; L561-I563 HydrophobicContact CB-CG1 4.22Å; L561-I563 HydrophobicContact CD2-CD1 4.33Å; L561-I563 HydrophobicContact CD2-CG1 3.98Å; L561-I563 PolarHBondContact O-N 3.05Å; I563-V565 HydrophobicContact CG2-CG2 3.82Å; I563-V565 PolarHBondContact O-N 2.78Å |
| 564 | S | 28.8 | Very low | 34.1 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -74.3 | 99.9 | 164.2 | 52.8 | 0 | 0 | 0 | 0 | 108.2 | N562 D566 | N562-S564 PolarHBondContact O-N 3.43Å; N562-S564 VanDerWaalsContact O-N 3.16Å; S564-D566 PolarHBondContact O-N 3.27Å |
| 565 | V | 30.9 | Very low | 33.4 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 66% | 0.655 | 79% | 0.787 | S | S | * | * | | | trans | -82 | 107.9 | 170.6 | -178.7 | 0 | 0 | 0 | 0 | 107.5 | I563 I567 | I563-V565 HydrophobicContact CG2-CG2 3.82Å; I563-V565 PolarHBondContact O-N 2.78Å; V565-I567 VanDerWaalsContact C-N 3.34Å; V565-I567 HydrophobicContact CG1-CG1 4.25Å; V565-I567 PolarHBondContact O-N 3.17Å |
| 566 | D | 29.5 | Very low | 32.6 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -66.9 | 94 | 167.9 | -82.7 | -28.7 | 0 | 0 | 0 | 108.5 | S564 Q568 | S564-D566 PolarHBondContact O-N 3.27Å; D566-Q568 VanDerWaalsContact C-N 3.34Å; D566-Q568 PolarHBondContact O-N 2.77Å |
| 567 | I | 32.5 | Very low | 32.1 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | | | trans | -72.1 | 94.2 | 171.5 | -56 | 173.3 | 0 | 0 | 0 | 106.7 | V565 G569 | V565-I567 VanDerWaalsContact C-N 3.34Å; V565-I567 HydrophobicContact CG1-CG1 4.25Å; V565-I567 PolarHBondContact O-N 3.17Å; I567-G569 PolarHBondContact O-N 2.9Å; I567-G569 VanDerWaalsContact O-N 3.08Å |
| 568 | Q | 31.2 | Very low | 31.6 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | trans | -61.5 | 109.3 | 165.5 | -79.5 | 179.7 | -15.6 | 0 | 0 | 108.1 | D566 D570 | D566-Q568 VanDerWaalsContact C-N 3.34Å; D566-Q568 PolarHBondContact O-N 2.77Å; Q568-D570 VanDerWaalsContact C-N 3.26Å; Q568-D570 PolarHBondContact O-N 2.79Å |
| 569 | G | 29.5 | Very low | 31.6 | Very low | 63 Ų | 63 | 143.1 Ų | 143.1 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 24.3 | -160.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | I567 | I567-G569 PolarHBondContact O-N 2.9Å; I567-G569 VanDerWaalsContact O-N 3.08Å |
| 570 | D | 35.3 | Very low | 31.5 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | -2.3 | -167.7 | -76.5 | -9.7 | 0 | 0 | 0 | 116.5 | Q568 | Q568-D570 VanDerWaalsContact C-N 3.26Å; Q568-D570 PolarHBondContact O-N 2.79Å |
| 571 | E | 30.7 | Very low | 31.3 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -110.6 | -0.7 | -176.5 | -65 | -166.1 | 171.9 | 0 | 0 | 116.6 | C573 | E571-C573 VanDerWaalsContact C-N 3.31Å; E571-C573 PolarHBondContact O-N 2.86Å |
| 572 | L | 33.3 | Very low | 31.1 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -83.3 | 3.1 | -178.4 | -72.4 | 178.7 | 0 | 0 | 0 | 115.8 | | |
| 573 | C | 29.2 | Very low | 31 | Very low | 112 Ų | 112 | 141 Ų | 141 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -115.4 | 83.9 | 176.7 | -73.9 | 0 | 0 | 0 | 0 | 109.4 | E571 | E571-C573 VanDerWaalsContact C-N 3.31Å; E571-C573 PolarHBondContact O-N 2.86Å |
| 574 | N | 27.7 | Very low | 31 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | trans | 168.9 | 10.6 | 148.6 | -81.5 | -20.6 | 0 | 0 | 0 | 115.2 | E576 | N574-E576 PolarHBondContact O-N 3.42Š|
| 575 | A | 27.1 | Very low | 30.8 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | | | trans | -73.8 | 71.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I577 | A575-I577 VanDerWaalsContact C-N 3.34Å; A575-I577 PolarHBondContact O-N 3.45Å |
| 576 | E | 31 | Very low | 30.7 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | | | trans | -66 | 97.9 | 169.3 | -161.3 | 169.1 | -150.5 | 0 | 0 | 106.8 | N574 H578 | N574-E576 PolarHBondContact O-N 3.42Å; E576-H578 PolarHBondContact O-N 2.95Å |
| 577 | I | 33.1 | Very low | 30.7 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | -52.8 | 102.7 | 179.8 | -58.8 | 169.5 | 0 | 0 | 0 | 107.3 | A575 K579 | A575-I577 VanDerWaalsContact C-N 3.34Å; A575-I577 PolarHBondContact O-N 3.45Å; I577-K579 PolarHBondContact O-N 3.21Å |
| 578 | H | 31 | Very low | 30.6 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | -62.9 | 91.4 | 172.5 | -78.1 | -26.6 | 0 | 0 | 0 | 108.2 | E576 R580 | E576-H578 PolarHBondContact O-N 2.95Å; H578-R580 PolarHBondContact O-N 3.33Å; H578-R580 VanDerWaalsContact O-N 3.14Å |
| 579 | K | 39.1 | Very low | 30.7 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -55.3 | 117.5 | 165.6 | -68.6 | 179 | 178.9 | 179.1 | 0 | 106.5 | I577 | I577-K579 PolarHBondContact O-N 3.21Š|
| 580 | R | 34.4 | Very low | 30.9 | Very low | 236 Ų | 236 | 144.5 Ų | 144.5 | 89% | 0.891 | 75% | 0.753 | S | S | * | * | | | trans | 87.8 | 67.1 | 174.8 | -49.4 | 167.1 | 175.9 | -171.7 | -2.9 | 115.3 | H578 | H578-R580 PolarHBondContact O-N 3.33Å; H578-R580 VanDerWaalsContact O-N 3.14Å |
| 581 | S | 30.8 | Very low | 31 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | | | trans | -92.5 | 95.7 | 146.6 | -169.3 | 0 | 0 | 0 | 0 | 107.6 | V583 | S581-V583 PolarHBondContact O-N 2.64Š|
| 582 | T | 27.6 | Very low | 31.3 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | | | trans | -74.7 | 106.6 | 167.2 | 33.5 | 0 | 0 | 0 | 0 | 107.5 | E584 | T582-E584 PolarHBondContact O-N 3.47Š|
| 583 | V | 29.1 | Very low | 31.4 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | | | trans | -80.7 | 106.1 | 173 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | S581 C585 | S581-V583 PolarHBondContact O-N 2.64Å; V583-C585 PolarHBondContact O-N 2.71Å |
| 584 | E | 28.7 | Very low | 32 | Very low | 136 Ų | 136 | 142 Ų | 142 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | trans | -82.4 | 104.4 | 171.4 | -65.8 | -173.1 | 170.5 | 0 | 0 | 108.8 | T582 Y586 | T582-E584 PolarHBondContact O-N 3.47Å; E584-Y586 HydrophobicContact CB-CD2 4.42Å; E584-Y586 HydrophobicContact CB-CE2 3.68Å; E584-Y586 PolarHBondContact OE2-OH 3.17Å |
| 585 | C | 25.6 | Very low | 32.5 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | | | trans | -88.6 | 116 | 175.2 | -63.9 | 0 | 0 | 0 | 0 | 109.8 | V583 | V583-C585 PolarHBondContact O-N 2.71Š|
| 586 | Y | 27.5 | Very low | 33.2 | Very low | 176 Ų | 176 | 144 Ų | 144 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | | | trans | -100.9 | 110.8 | 171.4 | -63.3 | -88.4 | 0 | 0 | 0 | 108.6 | E584 | E584-Y586 HydrophobicContact CB-CD2 4.42Å; E584-Y586 HydrophobicContact CB-CE2 3.68Å; E584-Y586 PolarHBondContact OE2-OH 3.17Å |
| 587 | V | 30 | Very low | 33.6 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | | | trans | -85.5 | 113.6 | 172.6 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 588 | T | 30.3 | Very low | 34 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 63% | 0.632 | 74% | 0.741 | S | S | * | * | | | trans | -103.4 | 103.3 | 178.3 | -45.8 | 0 | 0 | 0 | 0 | 108 | H590 | T588-H590 PolarHBondContact O-N 3.14Š|
| 589 | E | 32.8 | Very low | 34.4 | Very low | 119 Ų | 119 | 146 Ų | 146 | 56% | 0.556 | 75% | 0.748 | S | S | * | * | | | trans | -76.2 | 103.2 | 175.2 | -68.3 | -177.1 | -177.6 | 0 | 0 | 109.7 | Y591 | E589-Y591 HydrophobicContact CB-CD2 4.3Å; E589-Y591 HydrophobicContact CB-CE2 3.68Å; E589-Y591 PolarHBondContact O-N 3Å; E589-Y591 WeakPolarHBondContact OE2-CE2 3.34Å; E589-Y591 PolarHBondContact OE2-OH 3.08Å |
| 590 | H | 34.8 | Very low | 34.3 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | | | trans | -80.4 | 100.8 | 173.1 | -82.6 | -93.6 | 0 | 0 | 0 | 109.7 | T588 | T588-H590 PolarHBondContact O-N 3.14Š|
| 591 | Y | 37 | Very low | 34.5 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 59% | 0.592 | 74% | 0.74 | S | S | * | * | | | trans | -83.4 | 120.4 | 165.3 | -65.5 | -85.3 | 0 | 0 | 0 | 108.6 | E589 N593 | E589-Y591 HydrophobicContact CB-CD2 4.3Å; E589-Y591 HydrophobicContact CB-CE2 3.68Å; E589-Y591 PolarHBondContact O-N 3Å; E589-Y591 WeakPolarHBondContact OE2-CE2 3.34Å; E589-Y591 PolarHBondContact OE2-OH 3.08Å; Y591-N593 PolarHBondContact O-N 3.4Å |
| 592 | S | 36.3 | Very low | 34.7 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | | | trans | -61.2 | 128.4 | 178.6 | 52.8 | 0 | 0 | 0 | 0 | 111 | D594 | S592-D594 PolarHBondContact O-N 3.02Š|
| 593 | N | 35.7 | Very low | 35 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | | | trans | -69.8 | 102.6 | 174.6 | -88.7 | -24.6 | 0 | 0 | 0 | 110.2 | Y591 | Y591-N593 PolarHBondContact O-N 3.4Š|
| 594 | D | 42.1 | Very low | 35.3 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | | | trans | -119.7 | 101.7 | 148.9 | -78.2 | -42.6 | 0 | 0 | 0 | 107.1 | S592 | S592-D594 PolarHBondContact O-N 3.02Š|
| 595 | N | 38.5 | Very low | 35.6 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 36.7 | 91.5 | 158.5 | -63.2 | -40.2 | 0 | 0 | 0 | 116.9 | | |
| 596 | D | 41.4 | Very low | 36 | Very low | 150 Ų | 150 | 150 Ų | 150 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | | | trans | -168.4 | 127.3 | 138.4 | -95.9 | -27.2 | 0 | 0 | 0 | 110.1 | N598 | D596-N598 PolarHBondContact O-N 3.11Š|
| 597 | D | 39.8 | Very low | 36.3 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | | | trans | -64.4 | 40.8 | -172.9 | -82.7 | -40.7 | 0 | 0 | 0 | 115.9 | | |
| 598 | N | 40.9 | Very low | 36.6 | Very low | 134 Ų | 134 | 149.6 Ų | 149.6 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | -103.4 | 104 | 179.4 | -79.1 | -31.6 | 0 | 0 | 0 | 111.6 | D596 R600 | D596-N598 PolarHBondContact O-N 3.11Å; N598-R600 PolarHBondContact O-N 2.91Å |
| 599 | K | 40.7 | Very low | 37.1 | Very low | 208 Ų | 208 | 151.9 Ų | 151.9 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | | | trans | -33.1 | 90.6 | 165.2 | -63 | 172.7 | -179.5 | 174.3 | 0 | 112.3 | S601 | K599-S601 PolarHBondContact O-N 3.41Š|
| 600 | R | 36.6 | Very low | 37 | Very low | 193 Ų | 193 | 154.1 Ų | 154.1 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | | | trans | -83.2 | 113.3 | 174.3 | -78.3 | -174.1 | 178.8 | -158.4 | 2.4 | 109.6 | N598 | N598-R600 PolarHBondContact O-N 2.91Š|
| 601 | S | 37.7 | Very low | 37.1 | Very low | 116 Ų | 116 | 149.4 Ų | 149.4 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | -74.7 | 120.9 | 172.3 | -57.2 | 0 | 0 | 0 | 0 | 109.8 | K599 S603 | K599-S601 PolarHBondContact O-N 3.41Å; S601-S603 PolarHBondContact O-N 3.06Å |
| 602 | I | 35.8 | Very low | 37.3 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | -67.5 | 112.1 | 175.2 | -60.4 | 162.7 | 0 | 0 | 0 | 108.2 | N604 | I602-N604 WeakPolarHBondContact CG2-OD1 3.44Å; I602-N604 PolarHBondContact O-N 2.94Å |
| 603 | S | 33.5 | Very low | 37.5 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | trans | -92.2 | 97 | 173.8 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | S601 Y605 | S601-S603 PolarHBondContact O-N 3.06Å; S603-Y605 PolarHBondContact O-N 3.03Å |
| 604 | N | 36.7 | Very low | 37.4 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | -79 | 108.7 | 169.5 | -65.1 | -26.4 | 0 | 0 | 0 | 108.7 | I602 | I602-N604 WeakPolarHBondContact CG2-OD1 3.44Å; I602-N604 PolarHBondContact O-N 2.94Å |
| 605 | Y | 33.7 | Very low | 37 | Very low | 179 Ų | 179 | 154.3 Ų | 154.3 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | | | trans | -99.7 | 130.3 | 167.9 | 55.6 | -89.2 | 0 | 0 | 0 | 110.3 | S603 V607 | S603-Y605 PolarHBondContact O-N 3.03Å; Y605-V607 HydrophobicContact CD2-CG2 4.37Å; Y605-V607 HydrophobicContact CE2-CG2 4.48Å |
| 606 | K | 33.8 | Very low | 37 | Very low | 199 Ų | 199 | 154.7 Ų | 154.7 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | | | trans | -90.2 | 112.4 | -179.3 | -169.3 | 179.8 | -175.2 | -179 | 0 | 107.9 | E608 | K606-E608 PolarHBondContact O-N 3.01Š|
| 607 | V | 34.9 | Very low | 36.8 | Very low | 115 Ų | 115 | 155.8 Ų | 155.8 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 121.4 | 173.5 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | Y605 N609 | Y605-V607 HydrophobicContact CD2-CG2 4.37Å; Y605-V607 HydrophobicContact CE2-CG2 4.48Å; V607-N609 PolarHBondContact O-N 3.09Å |
| 608 | E | 36.2 | Very low | 36.5 | Very low | 179 Ų | 179 | 156.1 Ų | 156.1 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 127.4 | 179 | -76.2 | -177.1 | 154.8 | 0 | 0 | 110.6 | K606 I610 | K606-E608 PolarHBondContact O-N 3.01Å; E608-I610 PolarHBondContact O-N 3.02Å |
| 609 | N | 39.8 | Very low | 36.3 | Very low | 150 Ų | 150 | 157.5 Ų | 157.5 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 120.5 | 179.1 | -75.2 | -26.5 | 0 | 0 | 0 | 110.7 | V607 S611 | V607-N609 PolarHBondContact O-N 3.09Å; N609-S611 PolarHBondContact O-N 2.89Å; N609-S611 VanDerWaalsContact O-N 3.08Å |
| 610 | I | 32 | Very low | 35.9 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | | | trans | -67 | 108.2 | 167 | -51.7 | 171.3 | 0 | 0 | 0 | 106.7 | E608 | E608-I610 PolarHBondContact O-N 3.02Š|
| 611 | S | 36.8 | Very low | 35.7 | Very low | 72 Ų | 72 | 152.5 Ų | 152.5 | 50% | 0.503 | 78% | 0.775 | S | S | . | * | | | trans | -57.6 | 131.4 | 175.2 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | N609 E613 | N609-S611 PolarHBondContact O-N 2.89Å; N609-S611 VanDerWaalsContact O-N 3.08Å; S611-E613 PolarHBondContact O-N 2.87Å |
| 612 | P | 41.2 | Very low | 35.5 | Very low | 107 Ų | 107 | 157.9 Ų | 157.9 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -69.1 | 13.5 | 178.3 | -16.5 | 30.2 | 0 | 0 | 0 | 115.1 | Y614 F615 | P612-Y614 PolarHBondContact O-N 3.27Å; P612-F615 PolarHBondContact O-N 2.8Å; P612-F615 VanDerWaalsContact O-N 3.12Å |
| 613 | E | 39.8 | Very low | 35.2 | Very low | 152 Ų | 152 | 158.7 Ų | 158.7 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -61.1 | -10.4 | 179 | -126.9 | 170.9 | -170.8 | 0 | 0 | 113.2 | S611 F615 | S611-E613 PolarHBondContact O-N 2.87Å; E613-F615 PolarHBondContact O-N 2.75Å |
| 614 | Y | 33.3 | Very low | 35 | Very low | 229 Ų | 229 | 156.7 Ų | 156.7 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -76.4 | -0.4 | 173.4 | -124.3 | -89.9 | 0 | 0 | 0 | 115 | P612 | P612-Y614 PolarHBondContact O-N 3.27Š|
| 615 | F | 34.3 | Very low | 34.7 | Very low | 181 Ų | 181 | 157.7 Ų | 157.7 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -108.2 | 13.2 | -178.5 | -91.8 | -82.1 | 0 | 0 | 0 | 115.5 | P612 E613 E617 | P612-F615 PolarHBondContact O-N 2.8Å; P612-F615 VanDerWaalsContact O-N 3.12Å; E613-F615 PolarHBondContact O-N 2.75Å; F615-E617 PolarHBondContact O-N 2.82Å |
| 616 | E | 38.7 | Very low | 34.5 | Very low | 155 Ų | 155 | 159.1 Ų | 159.1 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -82.8 | -2.7 | -176.1 | -102.7 | -175.6 | 177.4 | 0 | 0 | 116.5 | H618 | E616-H618 PolarHBondContact O-N 3.09Š|
| 617 | E | 36.5 | Very low | 34.3 | Very low | 173 Ų | 173 | 158 Ų | 158 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -81.8 | -5.2 | -173.3 | -158.1 | 167.9 | -176.3 | 0 | 0 | 115.7 | F615 | F615-E617 PolarHBondContact O-N 2.82Š|
| 618 | H | 34.1 | Very low | 34.2 | Very low | 177 Ų | 177 | 159.5 Ų | 159.5 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -122.8 | 10.1 | -175.9 | -67.1 | -42 | 0 | 0 | 0 | 117.2 | E616 | E616-H618 PolarHBondContact O-N 3.09Š|
| 619 | Q | 36 | Very low | 33.9 | Very low | 163 Ų | 163 | 160.4 Ų | 160.4 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -89.7 | 0.1 | 176.2 | -76.6 | -154.3 | 44.5 | 0 | 0 | 116 | L621 | Q619-L621 PolarHBondContact O-N 2.96Š|
| 620 | S | 32.8 | Very low | 33.3 | Very low | 118 Ų | 118 | 158.5 Ų | 158.5 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 10.9 | -173.6 | -63.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 621 | L | 32.9 | Very low | 33.3 | Very low | 178 Ų | 178 | 155.4 Ų | 155.4 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 4 | 178.4 | -88.1 | 162.6 | 0 | 0 | 0 | 115.3 | Q619 | Q619-L621 PolarHBondContact O-N 2.96Š|
| 622 | R | 33 | Very low | 32.9 | Very low | 229 Ų | 229 | 158.4 Ų | 158.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -107.1 | 1.7 | -176.8 | -125.1 | -179.7 | -171.9 | -137.5 | 2.4 | 116.9 | | |
| 623 | N | 30.1 | Very low | 32.7 | Very low | 164 Ų | 164 | 161.7 Ų | 161.7 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -114.6 | 66.9 | -179.8 | -71 | -20.6 | 0 | 0 | 0 | 111.8 | | |
| 624 | G | 27.5 | Very low | 32.5 | Very low | 59 Ų | 59 | 160.4 Ų | 160.4 | 61% | 0.608 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -162.6 | 83.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 625 | N | 31.9 | Very low | 32.4 | Very low | 166 Ų | 166 | 157.1 Ų | 157.1 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | trans | 148.2 | 61.4 | 160.1 | -70.8 | -13.6 | 0 | 0 | 0 | 109.7 | | |
| 626 | K | 28.4 | Very low | 32.2 | Very low | 208 Ų | 208 | 154.6 Ų | 154.6 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | | | trans | -96.9 | 78.7 | 152.1 | -78.2 | -176 | 178.9 | 177.2 | 0 | 106.8 | | |
| 627 | E | 30.6 | Very low | 32 | Very low | 175 Ų | 175 | 154.8 Ų | 154.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -158.2 | 135.5 | 162 | -115.6 | 165.7 | -160.7 | 0 | 0 | 109.1 | | |
| 628 | N | 33 | Very low | 31.8 | Very low | 147 Ų | 147 | 155.2 Ų | 155.2 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | | | trans | 86.5 | 64.3 | 178.8 | -47.2 | -29.9 | 0 | 0 | 0 | 115.7 | S630 | N628-S630 PolarHBondContact O-N 2.8Š|
| 629 | Q | 28.4 | Very low | 31.7 | Very low | 199 Ų | 199 | 154 Ų | 154 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | | | trans | -56.9 | 85.6 | 143.7 | -69.9 | 178.7 | 7.1 | 0 | 0 | 109 | T631 | Q629-T631 PolarHBondContact O-N 2.75Š|
| 630 | S | 28.9 | Very low | 31.6 | Very low | 109 Ų | 109 | 154.9 Ų | 154.9 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | | | trans | -82.6 | 102.6 | 164.7 | 163 | 0 | 0 | 0 | 0 | 107.3 | N628 | N628-S630 PolarHBondContact O-N 2.8Š|
| 631 | T | 30.3 | Very low | 31.5 | Very low | 103 Ų | 103 | 154.4 Ų | 154.4 | 63% | 0.632 | 81% | 0.814 | S | S | * | * | | | trans | -47.7 | 133.1 | 177 | 42.2 | 0 | 0 | 0 | 0 | 112.9 | Q629 E633 | Q629-T631 PolarHBondContact O-N 2.75Å; T631-E633 VanDerWaalsContact C-N 3.3Å; T631-E633 PolarHBondContact O-N 2.78Å |
| 632 | P | 28.6 | Very low | 31.5 | Very low | 134 Ų | 134 | 154.7 Ų | 154.7 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -82.5 | 71.3 | -178.7 | 35 | -34 | 0 | 0 | 0 | 110.5 | | |
| 633 | E | 36.8 | Very low | 31.4 | Very low | 176 Ų | 176 | 150 Ų | 150 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | -127.2 | 1.6 | 176.4 | -104 | -174.2 | 175.3 | 0 | 0 | 114.8 | T631 | T631-E633 VanDerWaalsContact C-N 3.3Å; T631-E633 PolarHBondContact O-N 2.78Å |
| 634 | T | 36.3 | Very low | 31.4 | Very low | 125 Ų | 125 | 150 Ų | 150 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -120.8 | 1.8 | -173.6 | -32.6 | 0 | 0 | 0 | 0 | 116 | | |
| 635 | L | 31.7 | Very low | 31.7 | Very low | 160 Ų | 160 | 154.2 Ų | 154.2 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -111.7 | 15.3 | 177.6 | -65.8 | -177.4 | 0 | 0 | 0 | 115.2 | N637 | L635-N637 VanDerWaalsContact C-N 3.3Å; L635-N637 PolarHBondContact O-N 2.71Å |
| 636 | N | 30.3 | Very low | 32 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 69% | 0.69 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 13 | 178.3 | -144.6 | 5.3 | 0 | 0 | 0 | 114.7 | | |
| 637 | N | 33.7 | Very low | 32.4 | Very low | 158 Ų | 158 | 152.1 Ų | 152.1 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | 23.1 | -177.6 | -72.5 | -21.9 | 0 | 0 | 0 | 114.3 | L635 | L635-N637 VanDerWaalsContact C-N 3.3Å; L635-N637 PolarHBondContact O-N 2.71Å |
| 638 | Q | 32 | Very low | 32.7 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -127 | 25.7 | 171.8 | -68.5 | -162.7 | 17.6 | 0 | 0 | 114.1 | E640 | Q638-E640 VanDerWaalsContact C-N 3.29Š|
| 639 | L | 33.3 | Very low | 33 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | trans | -89.5 | 19.8 | 171.4 | -80.1 | 167.9 | 0 | 0 | 0 | 113.7 | S641 | L639-S641 PolarHBondContact O-N 2.66Å; L639-S641 VanDerWaalsContact O-N 3.15Å |
| 640 | E | 32.2 | Very low | 33.4 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -83.6 | 86.7 | 167.1 | -88.2 | -174.1 | 159.7 | 0 | 0 | 110.8 | Q638 | Q638-E640 VanDerWaalsContact C-N 3.29Š|
| 641 | S | 32.2 | Very low | 34.1 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | 33 | 94.5 | 140 | 62.5 | 0 | 0 | 0 | 0 | 117.6 | L639 | L639-S641 PolarHBondContact O-N 2.66Å; L639-S641 VanDerWaalsContact O-N 3.15Å |
| 642 | K | 32.7 | Very low | 34.5 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | -132.6 | 125.3 | 143.8 | -88.5 | -177.2 | 178 | 173.2 | 0 | 109.1 | L644 | K642-L644 PolarHBondContact O-N 2.67Š|
| 643 | P | 31.3 | Very low | 34.9 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | | | trans | -72.8 | 102.3 | 177.8 | 30.1 | -30.1 | 0 | 0 | 0 | 107.4 | | |
| 644 | L | 29.5 | Very low | 34.9 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | | | trans | -98.9 | 106.1 | 179.7 | -134.8 | 130.3 | 0 | 0 | 0 | 108.2 | K642 | K642-L644 PolarHBondContact O-N 2.67Š|
| 645 | N | 34 | Very low | 35.2 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | trans | -30.7 | 138.8 | 174.8 | -75.7 | -36.6 | 0 | 0 | 0 | 114.4 | M647 | N645-M647 PolarHBondContact O-N 3.42Š|
| 646 | D | 37.2 | Very low | 35.7 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -56.6 | 27.7 | 177.5 | -92.6 | -44 | 0 | 0 | 0 | 117.1 | N648 | D646-N648 PolarHBondContact O-N 2.95Š|
| 647 | M | 36.9 | Very low | 36.2 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 85% | 0.852 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 59.6 | -173.7 | -149.6 | 178.3 | 75.7 | 0 | 0 | 111.9 | N645 | N645-M647 PolarHBondContact O-N 3.42Š|
| 648 | N | 36.9 | Very low | 36.9 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 60% | 0.599 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.8 | 3.3 | 164.3 | -155.5 | 11.8 | 0 | 0 | 0 | 116.9 | D646 N650 T651 | D646-N648 PolarHBondContact O-N 2.95Å; N648-N650 PolarHBondContact O-N 2.89Å; N648-T651 PolarHBondContact O-N 3.48Å; N648-T651 VanDerWaalsContact OD1-CB 3.26Å; N648-T651 WeakPolarHBondContact OD1-CB 3.27Å; N648-T651 PolarHBondContact OD1-OG1 3.46Å |
| 649 | K | 40.7 | Very low | 37.3 | Very low | 172 Ų | 172 | 144 Ų | 144 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -70.1 | -19.9 | 173.5 | -67.5 | -175.8 | -178.3 | 175.8 | 0 | 112.9 | | |
| 650 | N | 35.4 | Very low | 37.8 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -82.4 | -11.6 | 179.5 | -73 | -18.8 | 0 | 0 | 0 | 115.1 | N648 R654 | N648-N650 PolarHBondContact O-N 2.89Å; N650-R654 PolarHBondContact O-N 3.43Å |
| 651 | T | 43.6 | Very low | 38.5 | Very low | 66 Ų | 66 | 139.1 Ų | 139.1 | 41% | 0.405 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -83.4 | -32.3 | 179.4 | -41.1 | 0 | 0 | 0 | 0 | 112.1 | N648 R654 R655 | N648-T651 PolarHBondContact O-N 3.48Å; N648-T651 VanDerWaalsContact OD1-CB 3.26Å; N648-T651 WeakPolarHBondContact OD1-CB 3.27Å; N648-T651 PolarHBondContact OD1-OG1 3.46Å; T651-R654 PolarHBondContact O-N 2.97Å; T651-R655 PolarHBondContact O-N 3.46Å |
| 652 | A | 38.7 | Very low | 39 | Very low | 65 Ų | 65 | 142.2 Ų | 142.2 | 54% | 0.537 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -68.1 | -41.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R654 R655 | A652-R654 VanDerWaalsContact C-N 3.33Å; A652-R654 PolarHBondContact O-N 3.48Å; A652-R655 PolarHBondContact O-N 3.48Å |
| 653 | L | 37.4 | Very low | 39.5 | Very low | 120 Ų | 120 | 140 Ų | 140 | 63% | 0.628 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -71 | -27.2 | 175.6 | -69.8 | 176.7 | 0 | 0 | 0 | 113.1 | I656 R657 | L653-I656 PolarHBondContact O-N 2.98Å; L653-R657 PolarHBondContact O-N 2.96Å |
| 654 | R | 37.6 | Very low | 40.1 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.1 | -34.9 | 175.3 | -124.8 | 178.9 | -173.5 | 176.5 | 2.2 | 112.9 | N650 T651 A652 I656 R657 D658 | N650-R654 PolarHBondContact O-N 3.43Å; T651-R654 PolarHBondContact O-N 2.97Å; A652-R654 VanDerWaalsContact C-N 3.33Å; A652-R654 PolarHBondContact O-N 3.48Å; R654-I656 VanDerWaalsContact C-N 3.33Å; R654-I656 PolarHBondContact O-N 3.41Å; R654-R657 PolarHBondContact O-N 3.12Å; R654-D658 PolarHBondContact O-N 3.31Å |
| 655 | R | 41.1 | Very low | 41 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 74% | 0.736 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -72.9 | -24.7 | 177.4 | -68.9 | -171.2 | -171.1 | 173.3 | 3.3 | 113.8 | T651 A652 | T651-R655 PolarHBondContact O-N 3.46Å; A652-R655 PolarHBondContact O-N 3.48Å |
| 656 | I | 43.1 | Very low | 41.8 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 60% | 0.595 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -80.3 | -28.9 | 175.3 | -58.6 | 172.7 | 0 | 0 | 0 | 110.4 | L653 R654 D658 N659 | L653-I656 PolarHBondContact O-N 2.98Å; R654-I656 VanDerWaalsContact C-N 3.33Å; R654-I656 PolarHBondContact O-N 3.41Å; I656-D658 VanDerWaalsContact C-N 3.35Å; I656-D658 PolarHBondContact O-N 3.23Å; I656-N659 PolarHBondContact O-N 2.77Å |
| 657 | R | 41.5 | Very low | 42.5 | Very low | 208 Ų | 208 | 131 Ų | 131 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.3 | -28.5 | 179.4 | -150.4 | 172.5 | -168.3 | 173.9 | 2.5 | 113.7 | L653 R654 | L653-R657 PolarHBondContact O-N 2.96Å; R654-R657 PolarHBondContact O-N 3.12Å |
| 658 | D | 47.3 | Very low | 43.4 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 67% | 0.668 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -4.1 | -179.7 | -61.1 | -15.3 | 0 | 0 | 0 | 113.4 | R654 I656 | R654-D658 PolarHBondContact O-N 3.31Å; I656-D658 VanDerWaalsContact C-N 3.35Å; I656-D658 PolarHBondContact O-N 3.23Å |
| 659 | N | 40.7 | Very low | 44.3 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 68% | 0.684 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 8.7 | 176.4 | -94.4 | 32.2 | 0 | 0 | 0 | 113.3 | I656 D661 | I656-N659 PolarHBondContact O-N 2.77Å; N659-D661 PolarHBondContact O-N 3.06Å |
| 660 | V | 44.8 | Very low | 45.3 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 62% | 0.624 | 64% | 0.64 | S | S | * | * | | | trans | -75.8 | 69.8 | 151.9 | -171.2 | 0 | 0 | 0 | 0 | 105 | E662 | V660-E662 PolarHBondContact O-N 3.07Š|
| 661 | D | 45.1 | Very low | 46.8 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 68% | 0.684 | 63% | 0.633 | S | S | * | * | | | trans | -43.3 | 115.6 | 155.4 | -80.5 | -41.2 | 0 | 0 | 0 | 103.8 | N659 I663 | N659-D661 PolarHBondContact O-N 3.06Å; D661-I663 PolarHBondContact O-N 3.2Å |
| 662 | E | 44 | Very low | 48.2 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 81% | 0.808 | 64% | 0.644 | S | S | * | * | | | trans | -42.9 | 101.8 | 166.2 | -69.4 | 175.3 | 171.2 | 0 | 0 | 104.9 | V660 S664 | V660-E662 PolarHBondContact O-N 3.07Å; E662-S664 WeakPolarHBondContact O-CA 3.47Å; E662-S664 PolarHBondContact O-N 3.18Å; E662-S664 PolarHBondContact O-OG 3.34Å |
| 663 | I | 43.3 | Very low | 50 | Low | 138 Ų | 138 | 129.9 Ų | 129.9 | 71% | 0.708 | 64% | 0.642 | S | S | * | * | | | trans | -54.6 | 96.3 | 167.9 | 4.8 | 171.6 | 0 | 0 | 0 | 101.2 | D661 L665 | D661-I663 PolarHBondContact O-N 3.2Å; I663-L665 VanDerWaalsContact C-N 3.35Å; I663-L665 PolarHBondContact O-N 2.95Å |
| 664 | S | 44.2 | Very low | 52 | Low | 72 Ų | 72 | 128.9 Ų | 128.9 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | | | trans | -57.2 | 110.2 | -170.8 | -81.2 | 0 | 0 | 0 | 0 | 103.7 | E662 N666 S667 | E662-S664 WeakPolarHBondContact O-CA 3.47Å; E662-S664 PolarHBondContact O-N 3.18Å; E662-S664 PolarHBondContact O-OG 3.34Å; S664-N666 PolarHBondContact O-N 3.23Å; S664-S667 PolarHBondContact O-N 3.36Å; S664-S667 PolarHBondContact O-OG 3.45Å |
| 665 | L | 47.5 | Very low | 54.2 | Low | 142 Ų | 142 | 126.8 Ų | 126.8 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -58.6 | 0.5 | 177 | -75.3 | 164.9 | 0 | 0 | 0 | 111.7 | I663 S667 | I663-L665 VanDerWaalsContact C-N 3.35Å; I663-L665 PolarHBondContact O-N 2.95Å; L665-S667 VanDerWaalsContact C-N 3.35Å |
| 666 | N | 50.7 | Low | 56.3 | Low | 156 Ų | 156 | 122.4 Ų | 122.4 | 83% | 0.834 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -80.1 | -7.4 | 169.3 | -57.8 | -29.3 | 0 | 0 | 0 | 113.9 | S664 E668 | S664-N666 PolarHBondContact O-N 3.23Å; N666-E668 VanDerWaalsContact C-N 3.34Å |
| 667 | S | 52.2 | Low | 58.2 | Low | 38 Ų | 38 | 123.3 Ų | 123.3 | 27% | 0.266 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -89.5 | 3.4 | 173 | 72.1 | 0 | 0 | 0 | 0 | 113.8 | S664 L665 G669 E670 Q671 | S664-S667 PolarHBondContact O-N 3.36Å; S664-S667 PolarHBondContact O-OG 3.45Å; L665-S667 VanDerWaalsContact C-N 3.35Å; S667-G669 PolarHBondContact O-N 3.22Å; S667-E670 PolarHBondContact O-N 3.38Å; S667-Q671 PolarHBondContact O-N 3.37Å; S667-Q671 VanDerWaalsContact O-N 3.08Å |
| 668 | E | 54.6 | Low | 60.2 | Low | 136 Ų | 136 | 121.4 Ų | 121.4 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -51.9 | -28 | 175.1 | -122.2 | -179.2 | -171.7 | 0 | 0 | 112.2 | N666 R672 | N666-E668 VanDerWaalsContact C-N 3.34Å; E668-R672 WeakPolarHBondContact O-CB 3.42Å; E668-R672 PolarHBondContact O-N 3.16Å |
| 669 | G | 56.2 | Low | 62.1 | Low | 47 Ų | 47 | 121.8 Ų | 121.8 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62 | -51.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S667 T673 | S667-G669 PolarHBondContact O-N 3.22Å; G669-T673 WeakPolarHBondContact O-CB 3.47Å; G669-T673 PolarHBondContact O-N 3.5Å; G669-T673 PolarHBondContact O-OG1 3.15Å |
| 670 | E | 63.1 | Low | 64.1 | Low | 147 Ų | 147 | 118.5 Ų | 118.5 | 69% | 0.687 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73.8 | -43.9 | -176.7 | -80.5 | 175.8 | 166.3 | 0 | 0 | 111.7 | S667 R672 T673 E674 | S667-E670 PolarHBondContact O-N 3.38Å; E670-R672 VanDerWaalsContact C-N 3.33Å; E670-R672 PolarHBondContact O-N 3.33Å; E670-T673 PolarHBondContact O-N 3.33Å; E670-T673 VanDerWaalsContact O-N 3.16Å; E670-E674 PolarHBondContact O-N 3.26Å |
| 671 | Q | 66.9 | Low | 66 | Low | 121 Ų | 121 | 119.1 Ų | 119.1 | 57% | 0.565 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.6 | -38.2 | 178.5 | -67.4 | -167.4 | 4.8 | 0 | 0 | 112.2 | S667 E674 F675 | S667-Q671 PolarHBondContact O-N 3.37Å; S667-Q671 VanDerWaalsContact O-N 3.08Å; Q671-E674 PolarHBondContact O-N 3.04Å; Q671-F675 WeakPolarHBondContact O-CB 3.24Å; Q671-F675 PolarHBondContact O-N 2.99Å |
| 672 | R | 71.3 | Confident | 67.8 | Low | 168 Ų | 168 | 117 Ų | 117 | 63% | 0.634 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.9 | -37.3 | 174.5 | -172.2 | 175.8 | 178.1 | 169.3 | 7.8 | 111.8 | E668 E670 F675 E676 | E668-R672 WeakPolarHBondContact O-CB 3.42Å; E668-R672 PolarHBondContact O-N 3.16Å; E670-R672 VanDerWaalsContact C-N 3.33Å; E670-R672 PolarHBondContact O-N 3.33Å; R672-F675 PolarHBondContact O-N 2.76Å; R672-E676 IonicContact NE-OE1 2.66Å; R672-E676 PolarHBondContact NE-OE1 3.02Å; R672-E676 WeakPolarHBondContact O-CB 3.23Å; R672-E676 WeakPolarHBondContact O-CG 3.37Å; R672-E676 PolarHBondContact O-N 3.07Å |
| 673 | T | 76.6 | Confident | 69.7 | Low | 81 Ų | 81 | 111.7 Ų | 111.7 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.7 | -42.7 | 175.8 | -49 | 0 | 0 | 0 | 0 | 110.9 | G669 E670 E676 Q677 | G669-T673 WeakPolarHBondContact O-CB 3.47Å; G669-T673 PolarHBondContact O-N 3.5Å; G669-T673 PolarHBondContact O-OG1 3.15Å; E670-T673 PolarHBondContact O-N 3.33Å; E670-T673 VanDerWaalsContact O-N 3.16Å; T673-E676 PolarHBondContact O-N 2.88Å; T673-Q677 VanDerWaalsContact O-CB 3.27Å; T673-Q677 WeakPolarHBondContact O-CB 3.41Å; T673-Q677 PolarHBondContact O-N 3.04Å |
| 674 | E | 79.9 | Confident | 71.4 | Confident | 98 Ų | 98 | 107.5 Ų | 107.5 | 46% | 0.458 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 174.3 | -76.6 | -169.9 | -154.6 | 0 | 0 | 112.2 | E670 Q671 Q677 R678 | E670-E674 PolarHBondContact O-N 3.26Å; Q671-E674 PolarHBondContact O-N 3.04Å; E674-Q677 PolarHBondContact O-N 2.88Å; E674-R678 WeakPolarHBondContact O-CB 3.48Å; E674-R678 WeakPolarHBondContact O-CG 3.32Å; E674-R678 PolarHBondContact O-N 3.12Å; E674-R678 IonicContact OE2-NH2 3.94Å; E674-R678 PolarHBondContact OE2-NH2 3.25Å |
| 675 | F | 84.5 | Confident | 73 | Confident | 142 Ų | 142 | 111.3 Ų | 111.3 | 62% | 0.623 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.5 | -47.8 | 176.4 | 177.8 | -93.4 | 0 | 0 | 0 | 111.3 | Q671 R672 Q677 R678 Y679 | Q671-F675 WeakPolarHBondContact O-CB 3.24Å; Q671-F675 PolarHBondContact O-N 2.99Å; R672-F675 PolarHBondContact O-N 2.76Å; F675-Q677 VanDerWaalsContact C-N 3.28Å; F675-Q677 PolarHBondContact O-N 3.37Å; F675-R678 PolarHBondContact O-N 3.16Å; F675-Y679 VanDerWaalsContact O-CB 3.23Å; F675-Y679 WeakPolarHBondContact O-CB 3.1Å; F675-Y679 PolarHBondContact O-N 2.98Å |
| 676 | E | 84.3 | Confident | 74.4 | Confident | 104 Ų | 104 | 113.1 Ų | 113.1 | 49% | 0.486 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.7 | -36.9 | 176.7 | -81.5 | 173 | -171.1 | 0 | 0 | 111.7 | R672 T673 A680 | R672-E676 IonicContact NE-OE1 2.66Å; R672-E676 PolarHBondContact NE-OE1 3.02Å; R672-E676 WeakPolarHBondContact O-CB 3.23Å; R672-E676 WeakPolarHBondContact O-CG 3.37Å; R672-E676 PolarHBondContact O-N 3.07Å; T673-E676 PolarHBondContact O-N 2.88Å; E676-A680 VanDerWaalsContact O-CB 3.22Å; E676-A680 WeakPolarHBondContact O-CB 3.46Å; E676-A680 PolarHBondContact O-N 2.97Å |
| 677 | Q | 82.8 | Confident | 75.6 | Confident | 134 Ų | 134 | 110.8 Ų | 110.8 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70 | -43.7 | 177.7 | -163.2 | 169.4 | 13.7 | 0 | 0 | 112 | T673 E674 F675 A680 E681 | T673-Q677 VanDerWaalsContact O-CB 3.27Å; T673-Q677 WeakPolarHBondContact O-CB 3.41Å; T673-Q677 PolarHBondContact O-N 3.04Å; E674-Q677 PolarHBondContact O-N 2.88Å; F675-Q677 VanDerWaalsContact C-N 3.28Å; F675-Q677 PolarHBondContact O-N 3.37Å; Q677-A680 PolarHBondContact O-N 2.7Å; Q677-E681 WeakPolarHBondContact O-CB 2.94Å; Q677-E681 PolarHBondContact O-N 3.32Å |
| 678 | R | 84.4 | Confident | 76.2 | Confident | 169 Ų | 169 | 114.4 Ų | 114.4 | 64% | 0.638 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.3 | -39.6 | 174.3 | -69.8 | -177.1 | -157.1 | -158.4 | 9.6 | 111.6 | E674 F675 E681 L682 | E674-R678 WeakPolarHBondContact O-CB 3.48Å; E674-R678 WeakPolarHBondContact O-CG 3.32Å; E674-R678 PolarHBondContact O-N 3.12Å; E674-R678 IonicContact OE2-NH2 3.94Å; E674-R678 PolarHBondContact OE2-NH2 3.25Å; F675-R678 PolarHBondContact O-N 3.16Å; R678-E681 PolarHBondContact O-N 3.01Å; R678-L682 WeakPolarHBondContact O-CB 3.36Å; R678-L682 PolarHBondContact O-N 3.24Å |
| 679 | Y | 87.5 | Confident | 76.4 | Confident | 133 Ų | 133 | 112 Ų | 112 | 52% | 0.522 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.2 | -44.7 | 175.6 | -175.3 | -99.7 | 0 | 0 | 0 | 111.2 | F675 E681 L682 I683 | F675-Y679 VanDerWaalsContact O-CB 3.23Å; F675-Y679 WeakPolarHBondContact O-CB 3.1Å; F675-Y679 PolarHBondContact O-N 2.98Å; Y679-E681 VanDerWaalsContact C-N 3.33Å; Y679-E681 PolarHBondContact O-N 2.9Å; Y679-L682 WeakPolarHBondContact O-CB 3.27Å; Y679-L682 PolarHBondContact O-N 3.06Å; Y679-I683 HydrophobicContact CD1-CG1 4.02Å; Y679-I683 HydrophobicContact CE1-CD1 4.23Å; Y679-I683 HydrophobicContact CE1-CG1 3.64Å; Y679-I683 HydrophobicContact CE2-CD1 4.26Å; Y679-I683 HydrophobicContact CE2-CG1 4.2Å; Y679-I683 HydrophobicContact CG-CG1 4.44Å; Y679-I683 WeakPolarHBondContact O-CB 3.19Å; Y679-I683 VanDerWaalsContact O-CG1 3.24Å; Y679-I683 WeakPolarHBondContact O-CG1 3.26Å; Y679-I683 PolarHBondContact O-N 3.41Å |
| 680 | A | 82.7 | Confident | 76.4 | Confident | 58 Ų | 58 | 117.7 Ų | 117.7 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.4 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E676 Q677 A684 | E676-A680 VanDerWaalsContact O-CB 3.22Å; E676-A680 WeakPolarHBondContact O-CB 3.46Å; E676-A680 PolarHBondContact O-N 2.97Å; Q677-A680 PolarHBondContact O-N 2.7Å; A680-A684 VanDerWaalsContact O-CB 3.24Å; A680-A684 WeakPolarHBondContact O-CB 3.47Å; A680-A684 PolarHBondContact O-N 2.74Å |
| 681 | E | 84.3 | Confident | 75.8 | Confident | 116 Ų | 116 | 120.6 Ų | 120.6 | 54% | 0.542 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.8 | -42.4 | 175 | -168.3 | -175.6 | 159.4 | 0 | 0 | 111.9 | Q677 R678 Y679 A684 K685 | Q677-E681 WeakPolarHBondContact O-CB 2.94Å; Q677-E681 PolarHBondContact O-N 3.32Å; R678-E681 PolarHBondContact O-N 3.01Å; Y679-E681 VanDerWaalsContact C-N 3.33Å; Y679-E681 PolarHBondContact O-N 2.9Å; E681-A684 PolarHBondContact O-N 3.06Å; E681-K685 PolarHBondContact O-N 2.91Å; E681-K685 VanDerWaalsContact O-N 3.14Å; E681-K685 IonicContact OE1-NZ 3.66Å |
| 682 | L | 83.7 | Confident | 75 | Confident | 84 Ų | 84 | 121.5 Ų | 121.5 | 44% | 0.44 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.7 | -52.3 | 174.6 | -172.3 | 78 | 0 | 0 | 0 | 110.3 | R678 Y679 A684 K685 Y686 | R678-L682 WeakPolarHBondContact O-CB 3.36Å; R678-L682 PolarHBondContact O-N 3.24Å; Y679-L682 WeakPolarHBondContact O-CB 3.27Å; Y679-L682 PolarHBondContact O-N 3.06Å; L682-A684 VanDerWaalsContact C-N 3.29Å; L682-A684 PolarHBondContact O-N 3.16Å; L682-K685 WeakPolarHBondContact O-CB 3.41Å; L682-K685 PolarHBondContact O-N 2.86Å; L682-K685 VanDerWaalsContact O-N 3.07Å; L682-Y686 HydrophobicContact CD1-CE2 3.71Å; L682-Y686 HydrophobicContact CG-CD2 4.22Å; L682-Y686 HydrophobicContact CG-CE2 3.8Å; L682-Y686 WeakPolarHBondContact O-CD2 3.26Å; L682-Y686 PolarHBondContact O-N 3.23Å |
| 683 | I | 84 | Confident | 73.8 | Confident | 61 Ų | 61 | 118.1 Ų | 118.1 | 31% | 0.313 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62 | -36.8 | 179.2 | -67 | -63.2 | 0 | 0 | 0 | 111.2 | Y679 K685 Y686 L687 | Y679-I683 HydrophobicContact CD1-CG1 4.02Å; Y679-I683 HydrophobicContact CE1-CD1 4.23Å; Y679-I683 HydrophobicContact CE1-CG1 3.64Å; Y679-I683 HydrophobicContact CE2-CD1 4.26Å; Y679-I683 HydrophobicContact CE2-CG1 4.2Å; Y679-I683 HydrophobicContact CG-CG1 4.44Å; Y679-I683 WeakPolarHBondContact O-CB 3.19Å; Y679-I683 VanDerWaalsContact O-CG1 3.24Å; Y679-I683 WeakPolarHBondContact O-CG1 3.26Å; Y679-I683 PolarHBondContact O-N 3.41Å; I683-K685 VanDerWaalsContact C-N 3.27Å; I683-K685 PolarHBondContact O-N 2.95Å; I683-Y686 PolarHBondContact O-N 3.48Å; I683-L687 HydrophobicContact CG2-CD1 3.3Å; I683-L687 WeakPolarHBondContact O-CB 3.43Å; I683-L687 PolarHBondContact O-N 3.15Å |
| 684 | A | 78.5 | Confident | 72.4 | Confident | 51 Ų | 51 | 122.4 Ų | 122.4 | 42% | 0.421 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.6 | -22.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | A680 E681 L682 V689 | A680-A684 VanDerWaalsContact O-CB 3.24Å; A680-A684 WeakPolarHBondContact O-CB 3.47Å; A680-A684 PolarHBondContact O-N 2.74Å; E681-A684 PolarHBondContact O-N 3.06Å; L682-A684 VanDerWaalsContact C-N 3.29Å; L682-A684 PolarHBondContact O-N 3.16Å; A684-V689 WeakPolarHBondContact O-CG2 3.4Å |
| 685 | K | 78.3 | Confident | 70.9 | Confident | 152 Ų | 152 | 126.8 Ų | 126.8 | 66% | 0.661 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.9 | -36.4 | 171.7 | -72.1 | 176.4 | -177.3 | 174.8 | 0 | 112.1 | E681 L682 I683 | E681-K685 PolarHBondContact O-N 2.91Å; E681-K685 VanDerWaalsContact O-N 3.14Å; E681-K685 IonicContact OE1-NZ 3.66Å; L682-K685 WeakPolarHBondContact O-CB 3.41Å; L682-K685 PolarHBondContact O-N 2.86Å; L682-K685 VanDerWaalsContact O-N 3.07Å; I683-K685 VanDerWaalsContact C-N 3.27Å; I683-K685 PolarHBondContact O-N 2.95Å |
| 686 | Y | 75.9 | Confident | 69.2 | Low | 179 Ų | 179 | 126.9 Ų | 126.9 | 70% | 0.702 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -91.7 | -24.7 | -177.3 | -62.4 | -70.3 | 0 | 0 | 0 | 113.6 | L682 I683 | L682-Y686 HydrophobicContact CD1-CE2 3.71Å; L682-Y686 HydrophobicContact CG-CD2 4.22Å; L682-Y686 HydrophobicContact CG-CE2 3.8Å; L682-Y686 WeakPolarHBondContact O-CD2 3.26Å; L682-Y686 PolarHBondContact O-N 3.23Å; I683-Y686 PolarHBondContact O-N 3.48Å |
| 687 | L | 75.5 | Confident | 67.5 | Low | 107 Ų | 107 | 128.8 Ų | 128.8 | 56% | 0.56 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -74.6 | 131.5 | 170.5 | -105.2 | 107 | 0 | 0 | 0 | 109.6 | I683 V689 | I683-L687 HydrophobicContact CG2-CD1 3.3Å; I683-L687 WeakPolarHBondContact O-CB 3.43Å; I683-L687 PolarHBondContact O-N 3.15Å; L687-V689 VanDerWaalsContact C-N 3.32Å; L687-V689 PolarHBondContact O-N 3.36Å |
| 688 | P | 65 | Low | 65.8 | Low | 115 Ų | 115 | 134.5 Ų | 134.5 | 75% | 0.747 | 64% | 0.643 | S | S | * | * | | | trans | -58.3 | 98.9 | 165.6 | -19.1 | 30.8 | 0 | 0 | 0 | 108.6 | E690 | P688-E690 PolarHBondContact O-N 2.94Š|
| 689 | V | 58.9 | Low | 64.1 | Low | 84 Ų | 84 | 130.6 Ų | 130.6 | 51% | 0.509 | 64% | 0.641 | S | S | . | * | | | trans | -74.6 | 84.8 | 170.2 | -168.9 | 0 | 0 | 0 | 0 | 105.8 | A684 L687 R691 | A684-V689 WeakPolarHBondContact O-CG2 3.4Å; L687-V689 VanDerWaalsContact C-N 3.32Å; L687-V689 PolarHBondContact O-N 3.36Å; V689-R691 HydrophobicContact CB-CG 4.22Å; V689-R691 HydrophobicContact CG1-CG 3.41Å; V689-R691 VanDerWaalsContact CG1-CG 3.41Å; V689-R691 PolarHBondContact O-N 3.04Å |
| 690 | E | 55.6 | Low | 62.1 | Low | 168 Ų | 168 | 134.2 Ų | 134.2 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | | | trans | -61 | 84.3 | 159.6 | -74.6 | -178.1 | 172.8 | 0 | 0 | 107.1 | P688 Q692 | P688-E690 PolarHBondContact O-N 2.94Å; E690-Q692 PolarHBondContact O-N 3.45Å |
| 691 | R | 51.4 | Low | 60.4 | Low | 207 Ų | 207 | 143.6 Ų | 143.6 | 78% | 0.781 | 68% | 0.677 | S | S | * | * | | | trans | -70.1 | 52.2 | 168.4 | -63.6 | -173.4 | -175.9 | 179.1 | 1.7 | 109 | V689 S693 | V689-R691 HydrophobicContact CB-CG 4.22Å; V689-R691 HydrophobicContact CG1-CG 3.41Å; V689-R691 VanDerWaalsContact CG1-CG 3.41Å; V689-R691 PolarHBondContact O-N 3.04Å; R691-S693 PolarHBondContact O-N 3.38Å |
| 692 | Q | 49.3 | Very low | 58.8 | Low | 140 Ų | 140 | 143.2 Ų | 143.2 | 65% | 0.654 | 68% | 0.683 | S | S | * | * | | | trans | -79.3 | 67.7 | 159.3 | -62 | -61.7 | -36.1 | 0 | 0 | 106.6 | E690 K694 | E690-Q692 PolarHBondContact O-N 3.45Å; Q692-K694 PolarHBondContact O-N 2.97Å |
| 693 | S | 46 | Very low | 57.2 | Low | 97 Ų | 97 | 147.6 Ų | 147.6 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | | | trans | -71.5 | 57.5 | 167.9 | 57.5 | 0 | 0 | 0 | 0 | 109.6 | R691 K695 | R691-S693 PolarHBondContact O-N 3.38Å; S693-K695 PolarHBondContact O-N 2.98Å |
| 694 | K | 47 | Very low | 55.5 | Low | 172 Ų | 172 | 150.9 Ų | 150.9 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | trans | -71.9 | 80.2 | 159.8 | -71.1 | -175.4 | -178.8 | 176.9 | 0 | 106.9 | Q692 N696 | Q692-K694 PolarHBondContact O-N 2.97Å; K694-N696 PolarHBondContact O-N 3.39Å |
| 695 | K | 48.8 | Very low | 54.2 | Low | 189 Ų | 189 | 156.7 Ų | 156.7 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | | | trans | -61.1 | 85.5 | 157.4 | -68.7 | 176.9 | -179.3 | 175.7 | 0 | 106.4 | S693 | S693-K695 PolarHBondContact O-N 2.98Š|
| 696 | N | 48.7 | Very low | 52.7 | Low | 145 Ų | 145 | 155 Ų | 155 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | | | trans | 167.9 | 80.9 | 160.4 | -83.3 | -17.2 | 0 | 0 | 0 | 106.3 | K694 | K694-N696 PolarHBondContact O-N 3.39Š|
| 697 | D | 49.3 | Very low | 51.5 | Low | 143 Ų | 143 | 157.5 Ų | 157.5 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | | | trans | -178 | 60.7 | 139.5 | -87 | -24 | 0 | 0 | 0 | 108.6 | S699 | D697-S699 PolarHBondContact O-N 3.43Š|
| 698 | R | 46.2 | Very low | 50.3 | Low | 254 Ų | 254 | 160.8 Ų | 160.8 | 96% | 0.958 | 76% | 0.761 | S | S | * | * | | | trans | -71.1 | 42.1 | 144.8 | -127.7 | 176.6 | -173 | 171.8 | 1.7 | 108.7 | R700 | R698-R700 PolarHBondContact O-N 3.16Å; R698-R700 VanDerWaalsContact O-N 3.09Å |
| 699 | S | 49.9 | Very low | 49.3 | Very low | 87 Ų | 87 | 160.1 Ų | 160.1 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | | | trans | -66.4 | 108.3 | 166.3 | -179.3 | 0 | 0 | 0 | 0 | 104.8 | D697 R701 | D697-S699 PolarHBondContact O-N 3.43Å; S699-R701 PolarHBondContact O-N 3.49Å; S699-R701 VanDerWaalsContact O-N 3.13Å |
| 700 | R | 44.9 | Very low | 48.7 | Very low | 209 Ų | 209 | 163.8 Ų | 163.8 | 79% | 0.789 | 77% | 0.768 | S | S | * | * | | | trans | -35.3 | 121.3 | 174.2 | -76 | 171.3 | 157.9 | -156.8 | -4.6 | 109.4 | R698 T702 | R698-R700 PolarHBondContact O-N 3.16Å; R698-R700 VanDerWaalsContact O-N 3.09Å; R700-T702 HydrophobicContact CB-CG2 4.41Å; R700-T702 PolarHBondContact O-N 3.03Å |
| 701 | R | 48.1 | Very low | 48.1 | Very low | 256 Ų | 256 | 159.8 Ų | 159.8 | 97% | 0.966 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -63.6 | 42.2 | 173.2 | -67.4 | 171.7 | 79.5 | 132.8 | -2.1 | 112.5 | S699 | S699-R701 PolarHBondContact O-N 3.49Å; S699-R701 VanDerWaalsContact O-N 3.13Å |
| 702 | T | 50 | Low | 48 | Very low | 107 Ų | 107 | 159.2 Ų | 159.2 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | | | trans | -116.2 | 28.3 | -177.2 | 62.5 | 0 | 0 | 0 | 0 | 112.2 | R700 | R700-T702 HydrophobicContact CB-CG2 4.41Å; R700-T702 PolarHBondContact O-N 3.03Å |
| 703 | K | 50.3 | Low | 47.8 | Very low | 177 Ų | 177 | 162 Ų | 162 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -137.2 | 112.8 | 164.1 | -68.8 | -172.1 | 177 | 179.4 | 0 | 107.9 | L705 | K703-L705 PolarHBondContact O-N 3.12Š|
| 704 | T | 47.5 | Very low | 47.7 | Very low | 129 Ų | 129 | 163.3 Ų | 163.3 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -33.7 | 130 | 160.3 | 37.2 | 0 | 0 | 0 | 0 | 109.6 | D706 | T704-D706 PolarHBondContact O-N 3.26Š|
| 705 | L | 50.9 | Low | 47.6 | Very low | 174 Ų | 174 | 160.9 Ų | 160.9 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | | | trans | -35.6 | 108.9 | 173.4 | -90.3 | 144.2 | 0 | 0 | 0 | 109.9 | K703 R707 | K703-L705 PolarHBondContact O-N 3.12Å; L705-R707 PolarHBondContact O-N 3.02Å |
| 706 | D | 48 | Very low | 47.4 | Very low | 117 Ų | 117 | 158.9 Ų | 158.9 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | | | trans | -60.5 | 110.8 | 168.6 | -86.4 | -36.1 | 0 | 0 | 0 | 106.1 | T704 F708 S709 | T704-D706 PolarHBondContact O-N 3.26Å; D706-F708 PolarHBondContact O-N 3.25Å; D706-S709 PolarHBondContact O-N 3.42Å |
| 707 | R | 51.4 | Low | 47.2 | Very low | 230 Ų | 230 | 162.5 Ų | 162.5 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -3.1 | -177.9 | -155 | 177.8 | -160 | -176.5 | 5.1 | 113.3 | L705 | L705-R707 PolarHBondContact O-N 3.02Š|
| 708 | F | 48.5 | Very low | 46.9 | Very low | 177 Ų | 177 | 165.5 Ų | 165.5 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.5 | 19.4 | -173.2 | -64.3 | -74.3 | 0 | 0 | 0 | 114.4 | D706 K710 | D706-F708 PolarHBondContact O-N 3.25Å; F708-K710 PolarHBondContact O-N 2.93Å |
| 709 | S | 44.5 | Very low | 46.7 | Very low | 101 Ų | 101 | 157.2 Ų | 157.2 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | trans | -74.4 | 69.6 | 161.3 | -72.6 | 0 | 0 | 0 | 0 | 109.8 | D706 S711 | D706-S709 PolarHBondContact O-N 3.42Å; S709-S711 PolarHBondContact O-N 3.29Å |
| 710 | K | 45.5 | Very low | 46.2 | Very low | 161 Ų | 161 | 163.8 Ų | 163.8 | 70% | 0.7 | 76% | 0.76 | S | S | * | * | | | trans | -61.8 | 89.2 | 155.6 | -76.5 | -173.9 | 168.9 | -160.5 | 0 | 106.1 | F708 K712 E715 | F708-K710 PolarHBondContact O-N 2.93Å; K710-K712 PolarHBondContact O-N 3.02Å; K710-E715 IonicContact NZ-OE1 3.01Å |
| 711 | S | 44.3 | Very low | 46.3 | Very low | 84 Ų | 84 | 160.1 Ų | 160.1 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | | | trans | -60.3 | 125.4 | 167.2 | 76.7 | 0 | 0 | 0 | 0 | 106 | S709 F713 | S709-S711 PolarHBondContact O-N 3.29Å; S711-F713 PolarHBondContact O-N 3.45Å |
| 712 | K | 48.6 | Very low | 46 | Very low | 195 Ų | 195 | 154.7 Ų | 154.7 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 12.8 | -179.8 | -66.6 | -174.6 | 174.5 | -176.8 | 0 | 113.6 | K710 | K710-K712 PolarHBondContact O-N 3.02Š|
| 713 | F | 45.6 | Very low | 46 | Very low | 199 Ų | 199 | 155.5 Ų | 155.5 | 87% | 0.873 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | -2.5 | -173.9 | -102.6 | -84.9 | 0 | 0 | 0 | 114.2 | S711 | S711-F713 PolarHBondContact O-N 3.45Š|
| 714 | N | 44.3 | Very low | 45.7 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -122.4 | 16.2 | 178.3 | -150.5 | 7.9 | 0 | 0 | 0 | 114.9 | | |
| 715 | E | 44.9 | Very low | 45.6 | Very low | 120 Ų | 120 | 151.9 Ų | 151.9 | 56% | 0.561 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -87.1 | 1.5 | -176.4 | -142.8 | 155.5 | -147.3 | 0 | 0 | 113.9 | K710 | K710-E715 IonicContact NZ-OE1 3.01Š|
| 716 | N | 44.2 | Very low | 45.5 | Very low | 147 Ų | 147 | 150.4 Ų | 150.4 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -122.8 | 16.1 | -171.1 | -81.3 | 6 | 0 | 0 | 0 | 117.6 | | |
| 717 | R | 45.2 | Very low | 45.4 | Very low | 222 Ų | 222 | 153.9 Ų | 153.9 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -110.1 | -14.2 | 169.3 | -71 | -165.7 | -160.9 | -176.3 | 6.2 | 115.7 | | |
| 718 | Y | 42.8 | Very low | 45.2 | Very low | 205 Ų | 205 | 152.7 Ų | 152.7 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -130.9 | 20.7 | -177.6 | -67.7 | -76.2 | 0 | 0 | 0 | 113.9 | Y720 | Y718-Y720 PolarHBondContact O-N 3.4Š|
| 719 | S | 40.4 | Very low | 45 | Very low | 81 Ų | 81 | 155.3 Ų | 155.3 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 5.2 | 175.5 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | I721 | S719-I721 PolarHBondContact O-N 3.08Š|
| 720 | Y | 41.1 | Very low | 45.1 | Very low | 225 Ų | 225 | 154.5 Ų | 154.5 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 4.7 | 177.4 | -120.7 | -84.5 | 0 | 0 | 0 | 115 | Y718 D722 | Y718-Y720 PolarHBondContact O-N 3.4Å; Y720-D722 PolarHBondContact O-N 2.75Å |
| 721 | I | 45.4 | Very low | 45.1 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 68% | 0.677 | 76% | 0.755 | S | S | * | * | | | trans | -95.4 | 81.4 | 165.7 | -41.9 | 179.2 | 0 | 0 | 0 | 107 | S719 T723 | S719-I721 PolarHBondContact O-N 3.08Å; I721-T723 HydrophobicContact CB-CG2 4.32Å; I721-T723 HydrophobicContact CG2-CG2 3.47Å; I721-T723 VanDerWaalsContact CG2-CG2 3.47Å; I721-T723 PolarHBondContact O-N 2.97Å |
| 722 | D | 42.1 | Very low | 45.3 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | trans | -53.1 | 84.5 | 156.3 | -102.1 | -32 | 0 | 0 | 0 | 107.7 | Y720 S724 | Y720-D722 PolarHBondContact O-N 2.75Å; D722-S724 PolarHBondContact O-N 3.36Å |
| 723 | T | 50.3 | Low | 45.3 | Very low | 124 Ų | 124 | 152 Ų | 152 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | | | trans | -83.2 | 48.5 | 169.8 | 50.4 | 0 | 0 | 0 | 0 | 109 | I721 | I721-T723 HydrophobicContact CB-CG2 4.32Å; I721-T723 HydrophobicContact CG2-CG2 3.47Å; I721-T723 VanDerWaalsContact CG2-CG2 3.47Å; I721-T723 PolarHBondContact O-N 2.97Å |
| 724 | S | 45.1 | Very low | 45.2 | Very low | 78 Ų | 78 | 150.1 Ų | 150.1 | 55% | 0.545 | 75% | 0.751 | S | S | . | * | | | trans | -77.7 | 123.2 | 159.8 | 51.3 | 0 | 0 | 0 | 0 | 107.9 | D722 V726 | D722-S724 PolarHBondContact O-N 3.36Å; S724-V726 PolarHBondContact O-N 3.46Å |
| 725 | D | 44.1 | Very low | 45.4 | Very low | 151 Ų | 151 | 154.9 Ų | 154.9 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 73.1 | 8.7 | 157.3 | -61.3 | -14.5 | 0 | 0 | 0 | 122.8 | K727 | D725-K727 VanDerWaalsContact C-N 3.3Å; D725-K727 PolarHBondContact O-N 2.97Å |
| 726 | V | 49.5 | Very low | 45.4 | Very low | 143 Ų | 143 | 156.1 Ų | 156.1 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | -81.2 | 84.8 | 166.6 | -163.5 | 0 | 0 | 0 | 0 | 110.6 | S724 K728 | S724-V726 PolarHBondContact O-N 3.46Å; V726-K728 PolarHBondContact O-N 2.93Å |
| 727 | K | 45.4 | Very low | 45.7 | Very low | 190 Ų | 190 | 156.7 Ų | 156.7 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | | | trans | -43.3 | 108.8 | 170 | -71.8 | 172.2 | 178.4 | 170.7 | 0 | 111.1 | D725 R729 | D725-K727 VanDerWaalsContact C-N 3.3Å; D725-K727 PolarHBondContact O-N 2.97Å; K727-R729 PolarHBondContact O-N 2.92Å |
| 728 | K | 47.6 | Very low | 46 | Very low | 206 Ų | 206 | 154.6 Ų | 154.6 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | | | trans | -7.4 | 83.3 | 148.7 | -57.1 | 175.1 | -176.5 | 177.7 | 0 | 114.2 | V726 | V726-K728 PolarHBondContact O-N 2.93Š|
| 729 | R | 44.9 | Very low | 46.4 | Very low | 231 Ų | 231 | 155.4 Ų | 155.4 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | | | trans | -105.4 | 81.3 | 146.3 | -88.9 | -175.5 | -178.2 | 159.7 | 1 | 106 | K727 V731 | K727-R729 PolarHBondContact O-N 2.92Å; R729-V731 VanDerWaalsContact C-N 3.26Å; R729-V731 PolarHBondContact O-N 3.17Å |
| 730 | A | 46.4 | Very low | 47 | Very low | 84 Ų | 84 | 163.1 Ų | 163.1 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | | | trans | -62.2 | 103.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 105.1 | T732 | A730-T732 PolarHBondContact O-N 3.31Š|
| 731 | V | 45.7 | Very low | 47.9 | Very low | 122 Ų | 122 | 160.9 Ų | 160.9 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | | | trans | -68.3 | 79.8 | 165.1 | 179.7 | 0 | 0 | 0 | 0 | 104.8 | R729 L733 | R729-V731 VanDerWaalsContact C-N 3.26Å; R729-V731 PolarHBondContact O-N 3.17Å; V731-L733 PolarHBondContact O-N 3.33Å |
| 732 | T | 47.1 | Very low | 48.5 | Very low | 104 Ų | 104 | 165.4 Ų | 165.4 | 64% | 0.638 | 79% | 0.787 | S | S | * | * | | | trans | -63.6 | 101.9 | 158.5 | 48 | 0 | 0 | 0 | 0 | 104.2 | A730 E734 | A730-T732 PolarHBondContact O-N 3.31Å; T732-E734 PolarHBondContact O-N 3.48Å |
| 733 | L | 48.5 | Very low | 49.5 | Very low | 162 Ų | 162 | 170 Ų | 170 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -52.2 | 93.8 | 152.9 | -113.2 | 115.9 | 0 | 0 | 0 | 104.5 | V731 R735 | V731-L733 PolarHBondContact O-N 3.33Å; L733-R735 PolarHBondContact O-N 3.19Å |
| 734 | E | 43.9 | Very low | 49.9 | Very low | 160 Ų | 160 | 172 Ų | 172 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -53.6 | 122.3 | 175.7 | -72.5 | -174.2 | 162.9 | 0 | 0 | 105.7 | T732 N736 | T732-E734 PolarHBondContact O-N 3.48Å; E734-N736 VanDerWaalsContact C-N 3.32Å; E734-N736 PolarHBondContact O-N 3.03Å |
| 735 | R | 48.7 | Very low | 50.7 | Low | 223 Ų | 223 | 176.3 Ų | 176.3 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | | | trans | -54.3 | 103.2 | 173.3 | -89.5 | 178.5 | 156.2 | 93 | -1.3 | 106.2 | L733 E737 | L733-R735 PolarHBondContact O-N 3.19Å; R735-E737 HydrophobicContact CB-CG 4.49Å; R735-E737 PolarHBondContact O-N 3.49Å |
| 736 | N | 46 | Very low | 51.7 | Low | 146 Ų | 146 | 174.9 Ų | 174.9 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | | | trans | -62.6 | 87.8 | 167.1 | -90.8 | -33.6 | 0 | 0 | 0 | 107.6 | E734 F738 | E734-N736 VanDerWaalsContact C-N 3.32Å; E734-N736 PolarHBondContact O-N 3.03Å; N736-F738 PolarHBondContact O-N 2.91Å |
| 737 | E | 49.6 | Very low | 52.1 | Low | 159 Ų | 159 | 176.9 Ų | 176.9 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | | | trans | -67.9 | -11.6 | 172.5 | -69.1 | -171.2 | 161 | 0 | 0 | 111.5 | R735 R739 | R735-E737 HydrophobicContact CB-CG 4.49Å; R735-E737 PolarHBondContact O-N 3.49Å; E737-R739 PolarHBondContact O-N 3.25Å |
| 738 | F | 51.3 | Low | 52.7 | Low | 178 Ų | 178 | 172.9 Ų | 172.9 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -93.9 | 72.6 | 178 | -55.8 | -73.1 | 0 | 0 | 0 | 111.8 | N736 | N736-F738 PolarHBondContact O-N 2.91Š|
| 739 | R | 50.6 | Low | 53.1 | Low | 222 Ų | 222 | 167.4 Ų | 167.4 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | 165.3 | 77.7 | 146.4 | -89.3 | 158.4 | -170.3 | -169.4 | 4.8 | 106.8 | E737 K741 | E737-R739 PolarHBondContact O-N 3.25Å; R739-K741 PolarHBondContact O-N 3.25Å |
| 740 | R | 54.7 | Low | 53.9 | Low | 244 Ų | 244 | 162.9 Ų | 162.9 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | trans | -61.4 | 82.1 | 149.6 | -77 | -177.6 | -179.2 | 161.6 | 2.1 | 106.6 | R742 | R740-R742 PolarHBondContact O-N 2.97Š|
| 741 | K | 59.2 | Low | 54.4 | Low | 178 Ų | 178 | 163.9 Ų | 163.9 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | trans | -52.3 | 117.2 | 156.8 | -72.4 | -169.5 | 176.7 | -176.9 | 0 | 103.7 | R739 R743 | R739-K741 PolarHBondContact O-N 3.25Å; K741-R743 PolarHBondContact O-N 3.14Å |
| 742 | R | 58.6 | Low | 54.9 | Low | 226 Ų | 226 | 161.3 Ų | 161.3 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | trans | -48 | 122.4 | 171.4 | -72.9 | -177.8 | 177.8 | 172.5 | -0 | 104.7 | R740 L744 | R740-R742 PolarHBondContact O-N 2.97Å; R742-L744 VanDerWaalsContact C-N 3.31Å; R742-L744 PolarHBondContact O-N 2.93Å |
| 743 | R | 62 | Low | 55.5 | Low | 240 Ų | 240 | 162.1 Ų | 162.1 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | | | trans | -52.1 | 106.3 | 176.8 | -62.3 | 176.1 | 93.2 | 133.3 | 1.7 | 104.4 | K741 Q745 | K741-R743 PolarHBondContact O-N 3.14Å; R743-Q745 PolarHBondContact O-N 2.99Å |
| 744 | L | 60 | Low | 55.9 | Low | 164 Ų | 164 | 163 Ų | 163 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | | | trans | -62.5 | 110.4 | 175.3 | -69.5 | 171.5 | 0 | 0 | 0 | 102.8 | R742 | R742-L744 VanDerWaalsContact C-N 3.31Å; R742-L744 PolarHBondContact O-N 2.93Å |
| 745 | Q | 61.8 | Low | 56.7 | Low | 170 Ų | 170 | 161.3 Ų | 161.3 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 129.3 | 165.8 | -71.7 | -163.7 | -16.3 | 0 | 0 | 105.3 | R743 K747 | R743-Q745 PolarHBondContact O-N 2.99Å; Q745-K747 PolarHBondContact O-N 3.12Å |
| 746 | P | 64 | Low | 57 | Low | 121 Ų | 121 | 159.1 Ų | 159.1 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -53 | 121.8 | 176.9 | 22 | -30.8 | 0 | 0 | 0 | 106.6 | | |
| 747 | K | 58.4 | Low | 57.4 | Low | 185 Ų | 185 | 156.2 Ų | 156.2 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 129.3 | 168 | -70.9 | -178.4 | 177.7 | 179.6 | 0 | 105 | Q745 T749 | Q745-K747 PolarHBondContact O-N 3.12Å; K747-T749 PolarHBondContact O-N 3.19Å |
| 748 | P | 58.5 | Low | 57.8 | Low | 106 Ų | 106 | 154.3 Ų | 154.3 | 69% | 0.688 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 117.9 | 168.4 | 22.1 | -29.8 | 0 | 0 | 0 | 106.2 | D752 | P748-D752 WeakPolarHBondContact CA-OD2 3.25Å; P748-D752 WeakPolarHBondContact CB-OD2 3.44Å |
| 749 | T | 55.8 | Low | 57.9 | Low | 91 Ų | 91 | 150 Ų | 150 | 56% | 0.558 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -66 | 142.9 | 175.5 | 31.7 | 0 | 0 | 0 | 0 | 106.9 | K747 N751 D752 | K747-T749 PolarHBondContact O-N 3.19Å; T749-N751 PolarHBondContact O-N 2.81Å; T749-D752 PolarHBondContact O-N 3.1Å; T749-D752 PolarHBondContact OG1-OD1 3.45Å |
| 750 | V | 61.8 | Low | 58 | Low | 136 Ų | 136 | 144 Ų | 144 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -13.9 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 751 | N | 56 | Low | 57.8 | Low | 105 Ų | 105 | 135.3 Ų | 135.3 | 56% | 0.561 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 4.8 | 176.5 | -116.9 | 42.9 | 0 | 0 | 0 | 115.5 | T749 D753 Y754 | T749-N751 PolarHBondContact O-N 2.81Å; N751-D753 PolarHBondContact O-N 2.8Å; N751-Y754 HydrophobicContact CB-CD2 4.3Å; N751-Y754 WeakPolarHBondContact ND2-CD2 3.47Å; N751-Y754 WeakPolarHBondContact O-CD2 3.48Å; N751-Y754 PolarHBondContact O-N 3.28Å; N751-Y754 WeakPolarHBondContact OD1-CE2 3.46Å |
| 752 | D | 56.4 | Low | 57.8 | Low | 67 Ų | 67 | 132.2 Ų | 132.2 | 36% | 0.358 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -67.3 | -12.1 | 176.9 | -74.3 | -2.5 | 0 | 0 | 0 | 112.4 | P748 T749 Y754 L755 Y756 | P748-D752 WeakPolarHBondContact CA-OD2 3.25Å; P748-D752 WeakPolarHBondContact CB-OD2 3.44Å; T749-D752 PolarHBondContact O-N 3.1Å; T749-D752 PolarHBondContact OG1-OD1 3.45Å; D752-Y754 PolarHBondContact O-N 2.73Å; D752-Y754 VanDerWaalsContact O-N 3.15Å; D752-L755 PolarHBondContact O-N 2.89Å; D752-Y756 PolarHBondContact O-N 3.26Å |
| 753 | D | 60.9 | Low | 57.8 | Low | 121 Ų | 121 | 126.3 Ų | 126.3 | 65% | 0.647 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -57.9 | -22.1 | 171.1 | -65.7 | -8.6 | 0 | 0 | 0 | 112.5 | N751 Y756 P757 | N751-D753 PolarHBondContact O-N 2.8Å; D753-Y756 CarbonylContact O-C 3.32Å; D753-P757 WeakPolarHBondContact O-CA 3.19Å |
| 754 | Y | 56 | Low | 57.5 | Low | 182 Ų | 182 | 121.4 Ų | 121.4 | 71% | 0.714 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -84.8 | -20.4 | 173.7 | -63.1 | -70 | 0 | 0 | 0 | 113.8 | N751 D752 | N751-Y754 HydrophobicContact CB-CD2 4.3Å; N751-Y754 WeakPolarHBondContact ND2-CD2 3.47Å; N751-Y754 WeakPolarHBondContact O-CD2 3.48Å; N751-Y754 PolarHBondContact O-N 3.28Å; N751-Y754 WeakPolarHBondContact OD1-CE2 3.46Å; D752-Y754 PolarHBondContact O-N 2.73Å; D752-Y754 VanDerWaalsContact O-N 3.15Å |
| 755 | L | 60.9 | Low | 57.4 | Low | 124 Ų | 124 | 116.2 Ų | 116.2 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -28.3 | 178 | -153.2 | 74.7 | 0 | 0 | 0 | 111.3 | D752 | D752-L755 PolarHBondContact O-N 2.89Š|
| 756 | Y | 54.6 | Low | 57.2 | Low | 177 Ų | 177 | 113.3 Ų | 113.3 | 69% | 0.694 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -132.5 | 84.4 | 170.7 | -56.7 | -76.9 | 0 | 0 | 0 | 107.4 | D752 D753 D758 | D752-Y756 PolarHBondContact O-N 3.26Å; D753-Y756 CarbonylContact O-C 3.32Å; Y756-D758 PolarHBondContact O-N 3.02Å |
| 757 | P | 54.5 | Low | 57 | Low | 84 Ų | 84 | 116.3 Ų | 116.3 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | | | trans | -52.5 | 112 | 168.4 | 22.4 | -31.8 | 0 | 0 | 0 | 106.3 | D753 S759 | D753-P757 WeakPolarHBondContact O-CA 3.19Å; P757-S759 WeakPolarHBondContact O-CA 3.26Å; P757-S759 PolarHBondContact O-N 3.39Å |
| 758 | D | 58.2 | Low | 56.9 | Low | 120 Ų | 120 | 111.8 Ų | 111.8 | 64% | 0.642 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -29.1 | 97.4 | -170.3 | -153.6 | 36.9 | 0 | 0 | 0 | 109.8 | Y756 V760 K764 | Y756-D758 PolarHBondContact O-N 3.02Å; D758-V760 PolarHBondContact O-N 3.48Å; D758-K764 IonicContact OD2-NZ 3.41Å; D758-K764 PolarHBondContact OD2-NZ 3.21Å |
| 759 | S | 53.2 | Low | 56.8 | Low | 86 Ų | 86 | 111.4 Ų | 111.4 | 60% | 0.601 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -7.5 | 95.7 | -165.8 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | P757 T761 | P757-S759 WeakPolarHBondContact O-CA 3.26Å; P757-S759 PolarHBondContact O-N 3.39Å; S759-T761 PolarHBondContact O-N 3.26Å |
| 760 | V | 52.3 | Low | 56.7 | Low | 97 Ų | 97 | 111.3 Ų | 111.3 | 59% | 0.588 | 61% | 0.605 | S | S | * | * | | | trans | -67.2 | 77.3 | 175.2 | -177 | 0 | 0 | 0 | 0 | 106.4 | D758 V765 | D758-V760 PolarHBondContact O-N 3.48Å; V760-V765 HydrophobicContact CG1-CG2 3.72Å |
| 761 | T | 51.7 | Low | 56.1 | Low | 61 Ų | 61 | 108.8 Ų | 108.8 | 37% | 0.374 | 59% | 0.59 | S | S | . | * | | | trans | -63.9 | 133.6 | 166.2 | 49.5 | 0 | 0 | 0 | 0 | 104.7 | S759 S763 K764 | S759-T761 PolarHBondContact O-N 3.26Å; T761-S763 PolarHBondContact O-N 3.25Å; T761-S763 PolarHBondContact OG1-OG 3.08Å; T761-K764 PolarHBondContact O-N 2.92Å |
| 762 | P | 57.7 | Low | 55.8 | Low | 114 Ų | 114 | 113 Ų | 113 | 74% | 0.74 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | -11.7 | -179.1 | -27.3 | 32.3 | 0 | 0 | 0 | 115.1 | | |
| 763 | S | 58.7 | Low | 55.7 | Low | 102 Ų | 102 | 115.3 Ų | 115.3 | 71% | 0.713 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -24 | 174.1 | 59.5 | 0 | 0 | 0 | 0 | 115.5 | T761 | T761-S763 PolarHBondContact O-N 3.25Å; T761-S763 PolarHBondContact OG1-OG 3.08Å |
| 764 | K | 57 | Low | 55.4 | Low | 137 Ų | 137 | 114.9 Ų | 114.9 | 60% | 0.596 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -90.2 | -11.1 | 175.4 | -72.2 | -170.6 | -176.7 | 176.3 | 0 | 112.7 | D758 T761 D766 | D758-K764 IonicContact OD2-NZ 3.41Å; D758-K764 PolarHBondContact OD2-NZ 3.21Å; T761-K764 PolarHBondContact O-N 2.92Å; K764-D766 PolarHBondContact O-N 3.41Å |
| 765 | V | 58.1 | Low | 55.3 | Low | 55 Ų | 55 | 114.7 Ų | 114.7 | 33% | 0.333 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -79.1 | 116.2 | 170.3 | -177.6 | 0 | 0 | 0 | 0 | 106.2 | V760 K767 | V760-V765 HydrophobicContact CG1-CG2 3.72Å; V765-K767 PolarHBondContact O-N 3.1Å; V765-K767 VanDerWaalsContact O-N 3.13Å |
| 766 | D | 56.4 | Low | 55.1 | Low | 108 Ų | 108 | 118.4 Ų | 118.4 | 58% | 0.578 | 64% | 0.636 | S | S | * | * | | | trans | -51.9 | 123.7 | 174.2 | -75.9 | -36.7 | 0 | 0 | 0 | 109 | K764 S768 I769 S770 | K764-D766 PolarHBondContact O-N 3.41Å; D766-S768 PolarHBondContact O-N 2.89Å; D766-I769 HydrophobicContact CB-CD1 4Å; D766-I769 HydrophobicContact CB-CG1 4.03Å; D766-I769 PolarHBondContact O-N 2.99Å; D766-S770 PolarHBondContact O-N 3.18Å |
| 767 | K | 60.6 | Low | 55.2 | Low | 185 Ų | 185 | 113.4 Ų | 113.4 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -57.1 | -21.4 | -178 | -76.3 | 171.6 | 176.6 | 179.3 | 0 | 112.6 | V765 I769 V771 | V765-K767 PolarHBondContact O-N 3.1Å; V765-K767 VanDerWaalsContact O-N 3.13Å; K767-I769 VanDerWaalsContact C-N 3.32Å; K767-V771 PolarHBondContact O-N 2.83Å |
| 768 | S | 56.4 | Low | 55.2 | Low | 90 Ų | 90 | 114.6 Ų | 114.6 | 63% | 0.629 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.1 | -23.8 | 174.2 | 53.3 | 0 | 0 | 0 | 0 | 114 | D766 | D766-S768 PolarHBondContact O-N 2.89Å |
| 769 | I | 55.7 | Low | 55.1 | Low | 98 Ų | 98 | 113.7 Ų | 113.7 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -90.8 | -31.3 | 175.5 | -37.8 | 167.9 | 0 | 0 | 0 | 110.1 | D766 K767 V771 | D766-I769 HydrophobicContact CB-CD1 4Å; D766-I769 HydrophobicContact CB-CG1 4.03Å; D766-I769 PolarHBondContact O-N 2.99Å; K767-I769 VanDerWaalsContact C-N 3.32Å; I769-V771 PolarHBondContact O-N 2.62Å |
| 770 | S | 53.1 | Low | 55.4 | Low | 88 Ų | 88 | 118 Ų | 118 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.9 | -26.3 | 176.7 | -175.4 | 0 | 0 | 0 | 0 | 112.7 | D766 | D766-S770 PolarHBondContact O-N 3.18Å |
| 771 | V | 50.5 | Low | 55.7 | Low | 84 Ų | 84 | 116.2 Ų | 116.2 | 51% | 0.509 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -131.8 | 82.5 | 173.3 | -171.8 | 0 | 0 | 0 | 0 | 105.3 | K767 I769 S773 | K767-V771 PolarHBondContact O-N 2.83Å; I769-V771 PolarHBondContact O-N 2.62Å; V771-S773 PolarHBondContact O-N 2.88Å |
| 772 | R | 49.3 | Very low | 55.9 | Low | 194 Ų | 194 | 116.4 Ų | 116.4 | 73% | 0.732 | 66% | 0.66 | S | S | * | * | | | trans | -48.9 | 117.4 | 152.6 | -74.1 | -172.4 | 167.2 | 104.9 | -0.6 | 104.2 | L774 | R772-L774 PolarHBondContact O-N 3.43Š|
| 773 | S | 53.1 | Low | 56 | Low | 115 Ų | 115 | 120.6 Ų | 120.6 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | | | trans | -59 | 83.7 | 175.8 | -48.2 | 0 | 0 | 0 | 0 | 106.2 | V771 E775 | V771-S773 PolarHBondContact O-N 2.88Å; S773-E775 PolarHBondContact O-N 2.94Å |
| 774 | L | 54.6 | Low | 56.3 | Low | 111 Ų | 111 | 123.1 Ų | 123.1 | 58% | 0.581 | 67% | 0.667 | S | S | * | * | | | trans | -64.2 | 113.3 | 173.1 | -77.8 | 172.8 | 0 | 0 | 0 | 103.6 | R772 E776 | R772-L774 PolarHBondContact O-N 3.43Å; L774-E776 PolarHBondContact O-N 3.14Å |
| 775 | E | 54.6 | Low | 56.6 | Low | 178 Ų | 178 | 121.1 Ų | 121.1 | 83% | 0.832 | 67% | 0.667 | S | S | * | * | | | trans | -28.1 | 118.6 | 165 | -160.5 | 152.6 | -178.4 | 0 | 0 | 109.4 | S773 G777 | S773-E775 PolarHBondContact O-N 2.94Å; E775-G777 PolarHBondContact O-N 3.08Å |
| 776 | E | 57.2 | Low | 57.2 | Low | 203 Ų | 203 | 123.2 Ų | 123.2 | 95% | 0.949 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.3 | 96.4 | -173.2 | -172.6 | 160.6 | -168.1 | 0 | 0 | 110.3 | L774 | L774-E776 PolarHBondContact O-N 3.14Š|
| 777 | G | 56.7 | Low | 57.7 | Low | 72 Ų | 72 | 128.8 Ų | 128.8 | 74% | 0.742 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 155 | -22.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | E775 P779 | E775-G777 PolarHBondContact O-N 3.08Å; G777-P779 WeakPolarHBondContact O-CD 3.32Å |
| 778 | I | 54.3 | Low | 58.2 | Low | 109 Ų | 109 | 124.5 Ų | 124.5 | 56% | 0.559 | 68% | 0.681 | S | S | * | * | | | trans | -102.5 | 111.2 | -180 | -52.5 | 176.2 | 0 | 0 | 0 | 109.4 | E780 A782 | I778-E780 PolarHBondContact O-N 3.42Å; I778-A782 HydrophobicContact CG2-CB 3.7Å |
| 779 | P | 57 | Low | 59 | Low | 100 Ų | 100 | 125.5 Ų | 125.5 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | | | trans | -60.3 | 136.6 | 178.4 | 23.8 | -31.4 | 0 | 0 | 0 | 110.4 | G777 G781 A782 | G777-P779 WeakPolarHBondContact O-CD 3.32Å; P779-G781 PolarHBondContact O-N 3.07Å; P779-A782 PolarHBondContact O-N 3.07Å |
| 780 | E | 59.1 | Low | 59.8 | Low | 177 Ų | 177 | 128.3 Ų | 128.3 | 83% | 0.827 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.2 | 101.5 | 171.3 | -63.5 | 179.8 | 170.5 | 0 | 0 | 109.5 | I778 | I778-E780 PolarHBondContact O-N 3.42Š|
| 781 | G | 58.4 | Low | 60.9 | Low | 60 Ų | 60 | 125.6 Ų | 125.6 | 62% | 0.619 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 136.9 | -12.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P779 Y783 | P779-G781 PolarHBondContact O-N 3.07Å; G781-Y783 PolarHBondContact O-N 3.18Å |
| 782 | A | 54.7 | Low | 62 | Low | 65 Ų | 65 | 123.3 Ų | 123.3 | 54% | 0.537 | 66% | 0.663 | S | S | . | * | | | trans | -77.5 | 64.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | I778 P779 D784 | I778-A782 HydrophobicContact CG2-CB 3.7Å; P779-A782 PolarHBondContact O-N 3.07Å; A782-D784 PolarHBondContact O-N 3.46Å |
| 783 | Y | 60.4 | Low | 63.2 | Low | 201 Ų | 201 | 122.3 Ų | 122.3 | 79% | 0.788 | 67% | 0.665 | S | S | * | * | | | trans | -64.2 | 121.3 | 152.4 | -67.2 | -80.1 | 0 | 0 | 0 | 105.1 | G781 V785 | G781-Y783 PolarHBondContact O-N 3.18Å; Y783-V785 PolarHBondContact O-N 3.03Å |
| 784 | D | 65.3 | Low | 64.3 | Low | 155 Ų | 155 | 120.4 Ų | 120.4 | 83% | 0.829 | 65% | 0.645 | S | S | * | * | | | trans | -67.8 | 75 | 168.1 | -155.4 | 14.1 | 0 | 0 | 0 | 106.2 | A782 P786 | A782-D784 PolarHBondContact O-N 3.46Å; D784-P786 WeakPolarHBondContact O-CD 3.15Å |
| 785 | V | 63.7 | Low | 65.4 | Low | 96 Ų | 96 | 119.1 Ų | 119.1 | 58% | 0.582 | 64% | 0.643 | S | S | * | * | | | trans | -67.6 | 113 | 173.2 | 178.9 | 0 | 0 | 0 | 0 | 103.3 | Y783 Y787 | Y783-V785 PolarHBondContact O-N 3.03Å; V785-Y787 PolarHBondContact O-N 3Å; V785-Y787 VanDerWaalsContact O-N 3.12Å |
| 786 | P | 69.4 | Low | 66.5 | Low | 98 Ų | 98 | 119.3 Ų | 119.3 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | | | trans | -51.3 | 129.5 | 173.6 | -20.2 | 31.8 | 0 | 0 | 0 | 106.4 | D784 I788 | D784-P786 WeakPolarHBondContact O-CD 3.15Å; P786-I788 PolarHBondContact O-N 3.43Å |
| 787 | Y | 67.5 | Low | 67.4 | Low | 226 Ų | 226 | 117.9 Ų | 117.9 | 89% | 0.886 | 62% | 0.622 | S | S | * | * | | | trans | -55.2 | 96.3 | 173.6 | -66.5 | -86.5 | 0 | 0 | 0 | 107.2 | V785 | V785-Y787 PolarHBondContact O-N 3Å; V785-Y787 VanDerWaalsContact O-N 3.12Å |
| 788 | I | 70.4 | Confident | 68.3 | Low | 95 Ų | 95 | 120 Ų | 120 | 49% | 0.487 | 62% | 0.616 | S | S | . | * | | | trans | -77.8 | 121.9 | 170.2 | -67.7 | 167 | 0 | 0 | 0 | 103.4 | P786 D790 A792 F793 | P786-I788 PolarHBondContact O-N 3.43Å; I788-D790 PolarHBondContact O-N 2.97Å; I788-A792 HydrophobicContact CG2-CB 3.31Å; I788-F793 HydrophobicContact CG2-CE2 4.32Å |
| 789 | D | 73.4 | Confident | 69.5 | Low | 111 Ų | 111 | 119.6 Ų | 119.6 | 59% | 0.594 | 61% | 0.607 | S | S | * | * | | | trans | -51.9 | 135.3 | 174.4 | -75.1 | -35.3 | 0 | 0 | 0 | 109.5 | D791 A792 | D789-D791 VanDerWaalsContact CB-OD1 3.25Å; D789-D791 WeakPolarHBondContact CB-OD1 3.49Å; D789-D791 PolarHBondContact O-N 3.03Å; D789-A792 WeakPolarHBondContact O-CB 3.38Å; D789-A792 PolarHBondContact O-N 2.74Å |
| 790 | D | 73 | Confident | 70.2 | Confident | 157 Ų | 157 | 121 Ų | 121 | 84% | 0.84 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -54.9 | -24.7 | -178.3 | -72.4 | -27.1 | 0 | 0 | 0 | 112 | I788 | I788-D790 PolarHBondContact O-N 2.97Š|
| 791 | D | 75.8 | Confident | 70.5 | Confident | 31 Ų | 31 | 120 Ų | 120 | 17% | 0.166 | 61% | 0.605 | C | S | . | * | G | 310 helix | trans | -83.7 | -5.2 | 177.6 | 76.8 | -9.4 | 0 | 0 | 0 | 114.4 | D789 F793 L794 R799 E800 | D789-D791 VanDerWaalsContact CB-OD1 3.25Å; D789-D791 WeakPolarHBondContact CB-OD1 3.49Å; D789-D791 PolarHBondContact O-N 3.03Å; D791-F793 PolarHBondContact O-N 3.43Å; D791-F793 VanDerWaalsContact O-N 3.09Å; D791-L794 HydrophobicContact CB-CB 4.48Å; D791-L794 HydrophobicContact CB-CD1 3.86Å; D791-L794 HydrophobicContact CB-CG 4.24Å; D791-L794 WeakPolarHBondContact O-CA 3.38Å; D791-L794 VanDerWaalsContact O-CB 3.26Å; D791-L794 WeakPolarHBondContact O-CB 3.49Å; D791-L794 PolarHBondContact O-N 3.13Å; D791-R799 HydrophobicContact CB-CG 4.4Å; D791-R799 WeakPolarHBondContact O-CD 3.3Å; D791-R799 VanDerWaalsContact O-CG 3.26Å; D791-R799 WeakPolarHBondContact O-CG 3.36Å; D791-R799 PolarHBondContact O-NE 2.99Å; D791-R799 WeakPolarHBondContact OD2-CA 3.41Å; D791-E800 PolarHBondContact OD2-N 3.37Å |
| 792 | A | 73.6 | Confident | 70.7 | Confident | 35 Ų | 35 | 124 Ų | 124 | 29% | 0.289 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -59.8 | -25.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I788 D789 R799 | I788-A792 HydrophobicContact CG2-CB 3.31Å; D789-A792 WeakPolarHBondContact O-CB 3.38Å; D789-A792 PolarHBondContact O-N 2.74Å; A792-R799 VanDerWaalsContact O-CZ 3.27Å; A792-R799 PolarHBondContact O-NH2 3.02Å |
| 793 | F | 74.5 | Confident | 70.7 | Confident | 173 Ų | 173 | 124.3 Ų | 124.3 | 76% | 0.759 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -83.3 | -14.2 | 173.8 | -58.6 | -78.8 | 0 | 0 | 0 | 113.3 | I788 D791 | I788-F793 HydrophobicContact CG2-CE2 4.32Å; D791-F793 PolarHBondContact O-N 3.43Å; D791-F793 VanDerWaalsContact O-N 3.09Å |
| 794 | L | 77.7 | Confident | 70.4 | Confident | 76 Ų | 76 | 122.4 Ų | 122.4 | 40% | 0.398 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -73.4 | 145.8 | 172.8 | -61.7 | -178.2 | 0 | 0 | 0 | 109.9 | D791 L798 R799 | D791-L794 HydrophobicContact CB-CB 4.48Å; D791-L794 HydrophobicContact CB-CD1 3.86Å; D791-L794 HydrophobicContact CB-CG 4.24Å; D791-L794 WeakPolarHBondContact O-CA 3.38Å; D791-L794 VanDerWaalsContact O-CB 3.26Å; D791-L794 WeakPolarHBondContact O-CB 3.49Å; D791-L794 PolarHBondContact O-N 3.13Å; L794-L798 HydrophobicContact CB-CB 4.12Å; L794-L798 HydrophobicContact CD1-CB 4.37Å; L794-R799 HydrophobicContact CB-CG 4.19Å; L794-R799 PolarHBondContact O-NE 3.11Å; L794-R799 PolarHBondContact O-NH2 3.19Å; L794-R799 VanDerWaalsContact O-NH2 3.17Å |
| 795 | P | 77.5 | Confident | 69.8 | Low | 83 Ų | 83 | 122.9 Ų | 122.9 | 54% | 0.539 | 62% | 0.616 | S | S | . | * | | | trans | -51.5 | 143.4 | 165.6 | -24.5 | 33 | 0 | 0 | 0 | 110.3 | R797 L798 R799 | P795-R797 PolarHBondContact O-N 2.96Å; P795-L798 HydrophobicContact CG-CD1 4.42Å; P795-L798 WeakPolarHBondContact O-CA 3.41Å; P795-L798 PolarHBondContact O-N 3.3Å; P795-R799 PolarHBondContact O-N 3.32Å |
| 796 | R | 76.6 | Confident | 69 | Low | 182 Ų | 182 | 124.5 Ų | 124.5 | 69% | 0.687 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -49.9 | -32 | -175.2 | -159.3 | 175.7 | -173 | 168 | 1.2 | 114 | L798 R799 | R796-L798 VanDerWaalsContact C-N 3.29Å; R796-L798 PolarHBondContact O-N 3.12Å; R796-R799 PolarHBondContact O-N 2.94Å |
| 797 | R | 76.3 | Confident | 67.7 | Low | 174 Ų | 174 | 123.7 Ų | 123.7 | 66% | 0.657 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -70.5 | -19.9 | 177.5 | -64.3 | -179 | 174.4 | -173.3 | -3.1 | 114.6 | P795 E817 | P795-R797 PolarHBondContact O-N 2.96Å; R797-E817 IonicContact CZ-OE2 3.17Å; R797-E817 VanDerWaalsContact NH2-CB 3.32Å; R797-E817 IonicContact NH2-OE2 3.36Å; R797-E817 PolarHBondContact NH2-OE2 3.26Å |
| 798 | L | 75.1 | Confident | 66.6 | Low | 116 Ų | 116 | 117.3 Ų | 117.3 | 61% | 0.607 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -106.2 | -5.1 | 179.1 | -63.5 | -177.4 | 0 | 0 | 0 | 112.6 | L794 P795 R796 | L794-L798 HydrophobicContact CB-CB 4.12Å; L794-L798 HydrophobicContact CD1-CB 4.37Å; P795-L798 HydrophobicContact CG-CD1 4.42Å; P795-L798 WeakPolarHBondContact O-CA 3.41Å; P795-L798 PolarHBondContact O-N 3.3Å; R796-L798 VanDerWaalsContact C-N 3.29Å; R796-L798 PolarHBondContact O-N 3.12Å |
| 799 | R | 79.3 | Confident | 65.5 | Low | 100 Ų | 100 | 120.1 Ų | 120.1 | 38% | 0.377 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -70.2 | 140.3 | 171.2 | -60.3 | -168.1 | -168 | 165.5 | 1.7 | 108.7 | D791 A792 L794 P795 R796 N801 | D791-R799 HydrophobicContact CB-CG 4.4Å; D791-R799 WeakPolarHBondContact O-CD 3.3Å; D791-R799 VanDerWaalsContact O-CG 3.26Å; D791-R799 WeakPolarHBondContact O-CG 3.36Å; D791-R799 PolarHBondContact O-NE 2.99Å; D791-R799 WeakPolarHBondContact OD2-CA 3.41Å; A792-R799 VanDerWaalsContact O-CZ 3.27Å; A792-R799 PolarHBondContact O-NH2 3.02Å; L794-R799 HydrophobicContact CB-CG 4.19Å; L794-R799 PolarHBondContact O-NE 3.11Å; L794-R799 PolarHBondContact O-NH2 3.19Å; L794-R799 VanDerWaalsContact O-NH2 3.17Å; P795-R799 PolarHBondContact O-N 3.32Å; R796-R799 PolarHBondContact O-N 2.94Å; R799-N801 PolarHBondContact O-N 2.65Å |
| 800 | E | 72.2 | Confident | 64.1 | Low | 131 Ų | 131 | 123.1 Ų | 123.1 | 61% | 0.612 | 65% | 0.646 | S | S | * | * | | | trans | -71.7 | 117.7 | 173.3 | -67.5 | -173.5 | 180 | 0 | 0 | 106.8 | D791 K802 | D791-E800 PolarHBondContact OD2-N 3.37Å; E800-K802 HydrophobicContact CB-CD 4.45Å; E800-K802 PolarHBondContact O-N 3.3Å; E800-K802 WeakPolarHBondContact OE2-CE 3.35Å; E800-K802 IonicContact OE2-NZ 3.9Å; E800-K802 PolarHBondContact OE2-NZ 3.12Å |
| 801 | N | 66.1 | Low | 62.7 | Low | 154 Ų | 154 | 117.3 Ų | 117.3 | 82% | 0.824 | 62% | 0.623 | S | S | * | * | | | trans | -66.1 | 82.9 | 169.4 | -66.2 | -23.4 | 0 | 0 | 0 | 107.6 | R799 G803 | R799-N801 PolarHBondContact O-N 2.65Å; N801-G803 PolarHBondContact O-N 3.39Å; N801-G803 VanDerWaalsContact O-N 3.14Å |
| 802 | K | 63 | Low | 61 | Low | 146 Ų | 146 | 120.2 Ų | 120.2 | 64% | 0.635 | 65% | 0.645 | S | S | * | * | | | trans | -60.8 | 116.2 | 164.6 | -60 | -57.5 | -170.1 | -169 | 0 | 105.2 | E800 E804 | E800-K802 HydrophobicContact CB-CD 4.45Å; E800-K802 PolarHBondContact O-N 3.3Å; E800-K802 WeakPolarHBondContact OE2-CE 3.35Å; E800-K802 IonicContact OE2-NZ 3.9Å; E800-K802 PolarHBondContact OE2-NZ 3.12Å; K802-E804 VanDerWaalsContact C-N 3.28Å; K802-E804 PolarHBondContact O-N 3.21Å |
| 803 | G | 53.3 | Low | 59.4 | Low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | | | trans | -70.7 | 77.1 | -161.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N801 D805 | N801-G803 PolarHBondContact O-N 3.39Å; N801-G803 VanDerWaalsContact O-N 3.14Å; G803-D805 PolarHBondContact O-N 3.48Å |
| 804 | E | 55 | Low | 57.9 | Low | 162 Ų | 162 | 121.2 Ų | 121.2 | 76% | 0.757 | 66% | 0.662 | S | S | * | * | | | trans | -84.4 | 100.3 | 156.4 | -77.4 | 173.1 | 178 | 0 | 0 | 107 | K802 N806 | K802-E804 VanDerWaalsContact C-N 3.28Å; K802-E804 PolarHBondContact O-N 3.21Å; E804-N806 PolarHBondContact O-N 3.18Å |
| 805 | D | 51.7 | Low | 56.4 | Low | 164 Ų | 164 | 123.1 Ų | 123.1 | 88% | 0.877 | 68% | 0.682 | S | S | * | * | | | trans | -60.6 | 31.2 | 172.2 | -77.4 | -36.3 | 0 | 0 | 0 | 113.3 | G803 G807 | G803-D805 PolarHBondContact O-N 3.48Å; D805-G807 PolarHBondContact O-N 3.16Å; D805-G807 VanDerWaalsContact O-N 3.17Å |
| 806 | N | 48.6 | Very low | 54.9 | Low | 130 Ų | 130 | 124.2 Ų | 124.2 | 70% | 0.695 | 68% | 0.683 | S | S | * | * | | | trans | -85.3 | 90.4 | 171.5 | -66.9 | -34.5 | 0 | 0 | 0 | 107.3 | E804 S808 | E804-N806 PolarHBondContact O-N 3.18Å; N806-S808 PolarHBondContact O-N 3.06Å |
| 807 | G | 42.3 | Very low | 53.6 | Low | 82 Ų | 82 | 120.1 Ų | 120.1 | 85% | 0.845 | 67% | 0.671 | S | S | * | * | | | trans | -61.2 | 59.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D805 D809 | D805-G807 PolarHBondContact O-N 3.16Å; D805-G807 VanDerWaalsContact O-N 3.17Å; G807-D809 PolarHBondContact O-N 3.29Å |
| 808 | S | 43.3 | Very low | 52.2 | Low | 91 Ų | 91 | 119.1 Ų | 119.1 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | | | trans | -92.9 | 86.7 | 164.1 | -170.3 | 0 | 0 | 0 | 0 | 108.1 | N806 E810 | N806-S808 PolarHBondContact O-N 3.06Å; S808-E810 PolarHBondContact O-N 2.96Å |
| 809 | D | 47.2 | Very low | 51.1 | Low | 154 Ų | 154 | 118.7 Ų | 118.7 | 82% | 0.824 | 67% | 0.673 | S | S | * | * | | | trans | -67.5 | 44.5 | 170.8 | -161.3 | 14.1 | 0 | 0 | 0 | 111.5 | G807 | G807-D809 PolarHBondContact O-N 3.29Š|
| 810 | E | 44.8 | Very low | 49.6 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | | | trans | -110.8 | 32.1 | 173.5 | -63.4 | -156.7 | -171.7 | 0 | 0 | 111.1 | S808 S812 | S808-E810 PolarHBondContact O-N 2.96Å; E810-S812 VanDerWaalsContact C-N 3.27Å; E810-S812 PolarHBondContact O-N 3.19Å |
| 811 | G | 42.4 | Very low | 48.4 | Very low | 34 Ų | 34 | 127.4 Ų | 127.4 | 35% | 0.351 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -89.7 | 71.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | S813 | G811-S813 PolarHBondContact O-N 2.87Š|
| 812 | S | 39.8 | Very low | 47.5 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | | | trans | -31.3 | 108.6 | 177 | -161.2 | 0 | 0 | 0 | 0 | 110.3 | E810 L814 | E810-S812 VanDerWaalsContact C-N 3.27Å; E810-S812 PolarHBondContact O-N 3.19Å; S812-L814 PolarHBondContact O-N 2.99Å |
| 813 | S | 41.5 | Very low | 46.9 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | | | trans | -71.4 | 59.8 | 175.1 | 16.3 | 0 | 0 | 0 | 0 | 108.1 | G811 S815 | G811-S813 PolarHBondContact O-N 2.87Å; S813-S815 VanDerWaalsContact C-N 3.28Å; S813-S815 PolarHBondContact O-N 3.35Å |
| 814 | L | 42.8 | Very low | 46.8 | Very low | 115 Ų | 115 | 126 Ų | 126 | 60% | 0.602 | 67% | 0.671 | S | S | * | * | | | trans | -69.4 | 97.9 | 165.1 | -73.1 | 177.3 | 0 | 0 | 0 | 105.7 | S812 L816 | S812-L814 PolarHBondContact O-N 2.99Å; L814-L816 PolarHBondContact O-N 2.96Å |
| 815 | S | 45.8 | Very low | 46.9 | Very low | 117 Ų | 117 | 121.7 Ų | 121.7 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | | | trans | -52.3 | 67.4 | 168.2 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | S813 | S813-S815 VanDerWaalsContact C-N 3.28Å; S813-S815 PolarHBondContact O-N 3.35Å |
| 816 | L | 45.7 | Very low | 47.2 | Very low | 106 Ų | 106 | 118.8 Ų | 118.8 | 56% | 0.555 | 64% | 0.642 | S | S | * | * | | | trans | -119.9 | -2.8 | -175.9 | -140 | 157.9 | 0 | 0 | 0 | 112.4 | L814 E818 | L814-L816 PolarHBondContact O-N 2.96Å; L816-E818 PolarHBondContact O-N 3.04Å |
| 817 | E | 48.9 | Very low | 47.5 | Very low | 95 Ų | 95 | 118.5 Ų | 118.5 | 44% | 0.444 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | -10.6 | -172.7 | -75.7 | 76.3 | -147.9 | 0 | 0 | 117 | R797 | R797-E817 IonicContact CZ-OE2 3.17Å; R797-E817 VanDerWaalsContact NH2-CB 3.32Å; R797-E817 IonicContact NH2-OE2 3.36Å; R797-E817 PolarHBondContact NH2-OE2 3.26Å |
| 818 | E | 48.4 | Very low | 47.9 | Very low | 154 Ų | 154 | 121.2 Ų | 121.2 | 72% | 0.72 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -27.2 | 177.5 | -79.2 | 115.6 | -140.3 | 0 | 0 | 113.8 | L816 | L816-E818 PolarHBondContact O-N 3.04Š|
| 819 | D | 50.7 | Low | 48.5 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 57% | 0.572 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -23.9 | -174.3 | -91.1 | -15.4 | 0 | 0 | 0 | 113.7 | R827 | D819-R827 PolarHBondContact O-NH1 3.28Å; D819-R827 PolarHBondContact O-NH2 3.03Å |
| 820 | Y | 48.7 | Very low | 48.9 | Very low | 187 Ų | 187 | 126.3 Ų | 126.3 | 73% | 0.733 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -27.8 | -175.9 | -137.4 | -95.5 | 0 | 0 | 0 | 113.3 | | |
| 821 | W | 46 | Very low | 49.3 | Very low | 227 Ų | 227 | 122 Ų | 122 | 86% | 0.86 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -12.3 | -179.1 | -66.1 | 104.7 | 0 | 0 | 0 | 114.7 | W823 | W821-W823 PolarHBondContact O-N 2.82Š|
| 822 | S | 47.9 | Very low | 50 | Low | 48 Ų | 48 | 126.3 Ų | 126.3 | 34% | 0.336 | 62% | 0.615 | S | S | . | * | | | trans | -69.2 | 101.3 | 168.5 | 108.6 | 0 | 0 | 0 | 0 | 107.1 | N824 R827 | S822-N824 PolarHBondContact O-N 3.17Å; S822-R827 PolarHBondContact O-NH2 3.28Å |
| 823 | W | 50.2 | Low | 51.1 | Low | 226 Ų | 226 | 125.7 Ų | 125.7 | 86% | 0.856 | 62% | 0.615 | S | S | * | * | | | trans | -67.8 | 78.9 | 170.1 | -166.8 | 69.8 | 0 | 0 | 0 | 106.5 | W821 P825 | W821-W823 PolarHBondContact O-N 2.82Å; W823-P825 WeakPolarHBondContact O-CD 3.34Å |
| 824 | N | 51.1 | Low | 52.2 | Low | 65 Ų | 65 | 126.9 Ų | 126.9 | 35% | 0.348 | 61% | 0.612 | S | S | . | * | | | trans | -87.9 | 100.8 | -178.1 | -162.7 | -11.2 | 0 | 0 | 0 | 107.1 | S822 D826 R827 | S822-N824 PolarHBondContact O-N 3.17Å; N824-D826 PolarHBondContact O-N 3.15Å; N824-D826 WeakPolarHBondContact OD1-CB 3.48Å; N824-D826 PolarHBondContact OD1-N 3.31Å; N824-R827 HydrophobicContact CB-CG 4.34Å; N824-R827 PolarHBondContact O-N 3.23Å; N824-R827 VanDerWaalsContact O-N 3.1Å |
| 825 | P | 56.3 | Low | 52.8 | Low | 73 Ų | 73 | 127.5 Ų | 127.5 | 47% | 0.474 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -59.6 | -19 | 179.2 | 26.2 | -35.1 | 0 | 0 | 0 | 111.8 | W823 R827 F828 | W823-P825 WeakPolarHBondContact O-CD 3.34Å; P825-R827 PolarHBondContact O-N 3.15Å; P825-F828 PolarHBondContact O-N 2.96Å |
| 826 | D | 59.6 | Low | 53.6 | Low | 102 Ų | 102 | 127 Ų | 127 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -71.3 | -16.7 | 179.5 | -66.4 | -10.9 | 0 | 0 | 0 | 113.3 | N824 F828 I829 | N824-D826 PolarHBondContact O-N 3.15Å; N824-D826 WeakPolarHBondContact OD1-CB 3.48Å; N824-D826 PolarHBondContact OD1-N 3.31Å; D826-F828 PolarHBondContact O-N 3.15Å; D826-I829 HydrophobicContact CB-CD1 3.67Å; D826-I829 HydrophobicContact CB-CG1 4.4Å; D826-I829 VanDerWaalsContact O-CB 3.27Å; D826-I829 WeakPolarHBondContact O-CB 3.37Å; D826-I829 VanDerWaalsContact O-CG1 3.32Å; D826-I829 WeakPolarHBondContact O-CG1 3.2Å; D826-I829 PolarHBondContact O-N 3.38Å; D826-I829 WeakPolarHBondContact OD1-CD1 3.43Å |
| 827 | R | 53.3 | Low | 54.2 | Low | 125 Ų | 125 | 125.9 Ų | 125.9 | 47% | 0.472 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -64.3 | -22 | 172.3 | -72.5 | -164.9 | -82.4 | -132.8 | 12.6 | 112.7 | D819 S822 N824 P825 I829 | D819-R827 PolarHBondContact O-NH1 3.28Å; D819-R827 PolarHBondContact O-NH2 3.03Å; S822-R827 PolarHBondContact O-NH2 3.28Å; N824-R827 HydrophobicContact CB-CG 4.34Å; N824-R827 PolarHBondContact O-N 3.23Å; N824-R827 VanDerWaalsContact O-N 3.1Å; P825-R827 PolarHBondContact O-N 3.15Å; R827-I829 VanDerWaalsContact C-N 3.27Å; R827-I829 PolarHBondContact O-N 3.26Å |
| 828 | F | 52.1 | Low | 54.7 | Low | 138 Ų | 138 | 126 Ų | 126 | 61% | 0.605 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -79.7 | -4.1 | 173.6 | -66.5 | -78.2 | 0 | 0 | 0 | 113.7 | P825 D826 R830 L831 | P825-F828 PolarHBondContact O-N 2.96Å; D826-F828 PolarHBondContact O-N 3.15Å; F828-R830 PolarHBondContact O-N 3.37Å; F828-R830 VanDerWaalsContact O-N 3.12Å; F828-L831 HydrophobicContact CD1-CD1 3.85Å; F828-L831 HydrophobicContact CE1-CD1 4.26Å |
| 829 | I | 55.6 | Low | 55.4 | Low | 124 Ų | 124 | 124 Ų | 124 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -69.3 | -11.1 | -177.4 | -63.2 | 172.8 | 0 | 0 | 0 | 112.3 | D826 R827 | D826-I829 HydrophobicContact CB-CD1 3.67Å; D826-I829 HydrophobicContact CB-CG1 4.4Å; D826-I829 VanDerWaalsContact O-CB 3.27Å; D826-I829 WeakPolarHBondContact O-CB 3.37Å; D826-I829 VanDerWaalsContact O-CG1 3.32Å; D826-I829 WeakPolarHBondContact O-CG1 3.2Å; D826-I829 PolarHBondContact O-N 3.38Å; D826-I829 WeakPolarHBondContact OD1-CD1 3.43Å; R827-I829 VanDerWaalsContact C-N 3.27Å; R827-I829 PolarHBondContact O-N 3.26Å |
| 830 | R | 54.4 | Low | 55.8 | Low | 228 Ų | 228 | 125.6 Ų | 125.6 | 86% | 0.86 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -129.1 | 18.1 | -179.7 | -73 | -171.9 | 169.6 | -165.2 | -1.2 | 116.2 | F828 E832 | F828-R830 PolarHBondContact O-N 3.37Å; F828-R830 VanDerWaalsContact O-N 3.12Å; R830-E832 VanDerWaalsContact C-N 3.25Å; R830-E832 PolarHBondContact O-N 3.27Å |
| 831 | L | 53.8 | Low | 56.2 | Low | 84 Ų | 84 | 123.9 Ų | 123.9 | 44% | 0.44 | 61% | 0.614 | S | S | . | * | | | trans | -66.8 | 101.5 | 157.9 | -75.4 | 175.9 | 0 | 0 | 0 | 106.4 | F828 A833 H835 | F828-L831 HydrophobicContact CD1-CD1 3.85Å; F828-L831 HydrophobicContact CE1-CD1 4.26Å; L831-A833 PolarHBondContact O-N 3.38Å; L831-H835 HydrophobicContact CB-CB 4.34Å; L831-H835 HydrophobicContact CD2-CB 3.95Å |
| 832 | E | 57.9 | Low | 56.4 | Low | 126 Ų | 126 | 118.1 Ų | 118.1 | 59% | 0.589 | 61% | 0.607 | S | S | * | * | | | trans | -44.7 | 139.5 | 168.6 | -65.4 | -172.2 | 172.3 | 0 | 0 | 108 | R830 N834 H835 | R830-E832 VanDerWaalsContact C-N 3.25Å; R830-E832 PolarHBondContact O-N 3.27Å; E832-N834 PolarHBondContact O-N 3.49Å; E832-N834 PolarHBondContact OE2-ND2 3.19Å; E832-H835 PolarHBondContact O-N 3.07Å |
| 833 | A | 61.7 | Low | 56.5 | Low | 79 Ų | 79 | 119.7 Ų | 119.7 | 65% | 0.653 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -52.7 | -17 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L831 H835 I836 | L831-A833 PolarHBondContact O-N 3.38Å; A833-H835 VanDerWaalsContact C-N 3.3Å; A833-H835 PolarHBondContact O-N 3.14Å; A833-I836 PolarHBondContact O-N 3.17Å |
| 834 | N | 64.6 | Low | 56.6 | Low | 138 Ų | 138 | 114.7 Ų | 114.7 | 74% | 0.738 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -66.1 | -23.5 | 173.3 | -54.7 | -28.1 | 0 | 0 | 0 | 114.4 | E832 | E832-N834 PolarHBondContact O-N 3.49Å; E832-N834 PolarHBondContact OE2-ND2 3.19Å |
| 835 | H | 56.9 | Low | 56.4 | Low | 129 Ų | 129 | 117.4 Ų | 117.4 | 60% | 0.597 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -89.7 | -13.8 | 175.8 | -61.9 | -67.5 | 0 | 0 | 0 | 112.9 | L831 E832 A833 A837 | L831-H835 HydrophobicContact CB-CB 4.34Å; L831-H835 HydrophobicContact CD2-CB 3.95Å; E832-H835 PolarHBondContact O-N 3.07Å; A833-H835 VanDerWaalsContact C-N 3.3Å; A833-H835 PolarHBondContact O-N 3.14Å; H835-A837 PolarHBondContact O-N 3.26Å |
| 836 | I | 61.2 | Low | 56 | Low | 107 Ų | 107 | 119 Ų | 119 | 55% | 0.549 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -81.8 | 111.9 | 174.9 | -55.9 | 175.8 | 0 | 0 | 0 | 105.8 | A833 D838 | A833-I836 PolarHBondContact O-N 3.17Å; I836-D838 PolarHBondContact O-N 3.05Å; I836-D838 VanDerWaalsContact O-N 3.09Å |
| 837 | A | 58.8 | Low | 55.3 | Low | 82 Ų | 82 | 122.3 Ų | 122.3 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | | | trans | -51.3 | 123 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | H835 T839 | H835-A837 PolarHBondContact O-N 3.26Å; A837-T839 VanDerWaalsContact C-N 3.33Å; A837-T839 PolarHBondContact O-N 2.99Å |
| 838 | D | 60.2 | Low | 54.8 | Low | 97 Ų | 97 | 123.6 Ų | 123.6 | 52% | 0.519 | 68% | 0.678 | S | S | . | * | | | trans | -66.4 | 94.5 | -174.8 | -149.1 | -11.6 | 0 | 0 | 0 | 107.9 | I836 N840 E841 | I836-D838 PolarHBondContact O-N 3.05Å; I836-D838 VanDerWaalsContact O-N 3.09Å; D838-N840 PolarHBondContact O-N 3.3Å; D838-E841 HydrophobicContact CB-CG 3.98Å; D838-E841 WeakPolarHBondContact O-CB 3.4Å; D838-E841 PolarHBondContact O-N 3.35Å |
| 839 | T | 62.2 | Low | 54 | Low | 111 Ų | 111 | 124.7 Ų | 124.7 | 68% | 0.681 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -62.3 | -12.9 | -173.7 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | A837 E841 | A837-T839 VanDerWaalsContact C-N 3.33Å; A837-T839 PolarHBondContact O-N 2.99Å; T839-E841 VanDerWaalsContact C-N 3.32Å |
| 840 | N | 59.2 | Low | 53.3 | Low | 141 Ų | 141 | 124.3 Ų | 124.3 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -81.5 | -10.4 | 174.4 | -56 | -50.5 | 0 | 0 | 0 | 113.1 | D838 C842 | D838-N840 PolarHBondContact O-N 3.3Å; N840-C842 VanDerWaalsContact C-N 3.28Å |
| 841 | E | 56.3 | Low | 52.6 | Low | 151 Ų | 151 | 123 Ų | 123 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -86.7 | 8.2 | 174.2 | -67 | -169.2 | -162.1 | 0 | 0 | 113.6 | D838 T839 A843 | D838-E841 HydrophobicContact CB-CG 3.98Å; D838-E841 WeakPolarHBondContact O-CB 3.4Å; D838-E841 PolarHBondContact O-N 3.35Å; T839-E841 VanDerWaalsContact C-N 3.32Å; E841-A843 PolarHBondContact O-N 3.04Å |
| 842 | C | 51.4 | Low | 51.8 | Low | 107 Ų | 107 | 124 Ų | 124 | 72% | 0.723 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -59.5 | 88.2 | 159.4 | -81.5 | 0 | 0 | 0 | 0 | 108.2 | N840 P844 | N840-C842 VanDerWaalsContact C-N 3.28Å; C842-P844 WeakPolarHBondContact O-CD 3.46Å; C842-P844 VanDerWaalsContact O-N 3.09Å |
| 843 | A | 49.5 | Very low | 50.8 | Low | 80 Ų | 80 | 129 Ų | 129 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 120.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | E841 T845 | E841-A843 PolarHBondContact O-N 3.04Å; A843-T845 PolarHBondContact O-N 3.26Å |
| 844 | P | 52.1 | Low | 49.3 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 117.2 | 178.7 | 17.4 | -27.7 | 0 | 0 | 0 | 107.7 | C842 | C842-P844 WeakPolarHBondContact O-CD 3.46Å; C842-P844 VanDerWaalsContact O-N 3.09Å |
| 845 | T | 47.1 | Very low | 47.9 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 124.8 | 176.7 | -33.6 | 0 | 0 | 0 | 0 | 107 | A843 E847 | A843-T845 PolarHBondContact O-N 3.26Å; T845-E847 PolarHBondContact O-N 3.35Å |
| 846 | P | 47.6 | Very low | 46.7 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 69% | 0.688 | 73% | 0.725 | S | S | * | * | | | trans | -56.9 | 108.9 | -174.2 | 18.8 | -30.5 | 0 | 0 | 0 | 109.1 | N848 | P846-N848 PolarHBondContact O-N 3.3Š|
| 847 | E | 44.7 | Very low | 45.3 | Very low | 171 Ų | 171 | 130 Ų | 130 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | | | trans | -57.1 | 107.5 | 167.4 | -87.1 | -171.4 | 153.9 | 0 | 0 | 106.4 | T845 Q849 | T845-E847 PolarHBondContact O-N 3.35Å; E847-Q849 PolarHBondContact O-N 3.31Å |
| 848 | N | 42.5 | Very low | 44.2 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | -61.7 | 85 | 172.2 | -77.1 | -51.4 | 0 | 0 | 0 | 107.9 | P846 P850 | P846-N848 PolarHBondContact O-N 3.3Å; N848-P850 WeakPolarHBondContact O-CD 3.39Å |
| 849 | Q | 36.7 | Very low | 42.8 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | | | trans | -54.7 | 108.9 | 167 | -74.6 | -98.6 | -33.9 | 0 | 0 | 106.8 | E847 K851 | E847-Q849 PolarHBondContact O-N 3.31Å; Q849-K851 PolarHBondContact O-N 3.41Å |
| 850 | P | 40.6 | Very low | 41.3 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | | | trans | -68.3 | 104.4 | 178.8 | 27 | -28.9 | 0 | 0 | 0 | 106.6 | N848 S852 | N848-P850 WeakPolarHBondContact O-CD 3.39Å; P850-S852 PolarHBondContact O-N 2.99Å |
| 851 | K | 39 | Very low | 40.1 | Very low | 201 Ų | 201 | 137.1 Ų | 137.1 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | trans | -62 | 92.6 | 168 | -73.7 | 175.9 | -179.3 | 173.3 | 0 | 107.1 | Q849 R853 | Q849-K851 PolarHBondContact O-N 3.41Å; K851-R853 VanDerWaalsContact C-N 3.28Å; K851-R853 PolarHBondContact O-N 2.82Å |
| 852 | S | 36.4 | Very low | 38.8 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -60.4 | 94 | 168 | 46.3 | 0 | 0 | 0 | 0 | 107.6 | P850 T854 | P850-S852 PolarHBondContact O-N 2.99Å; S852-T854 VanDerWaalsContact C-N 3.28Å; S852-T854 PolarHBondContact O-N 2.9Å |
| 853 | R | 37.3 | Very low | 38 | Very low | 231 Ų | 231 | 144.2 Ų | 144.2 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | | | trans | -66.5 | 95.4 | 163.5 | -93 | 179.1 | 159.4 | 176.7 | -4.9 | 106.8 | K851 I855 | K851-R853 VanDerWaalsContact C-N 3.28Å; K851-R853 PolarHBondContact O-N 2.82Å; R853-I855 VanDerWaalsContact C-N 3.34Å; R853-I855 PolarHBondContact O-N 2.95Å |
| 854 | T | 30.8 | Very low | 37.1 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | | | trans | -60 | 98.6 | 164.1 | -52.8 | 0 | 0 | 0 | 0 | 107.8 | S852 T856 | S852-T854 VanDerWaalsContact C-N 3.28Å; S852-T854 PolarHBondContact O-N 2.9Å; T854-T856 VanDerWaalsContact C-N 3.31Å; T854-T856 HydrophobicContact CG2-CG2 4.45Å; T854-T856 PolarHBondContact O-N 3.45Å |
| 855 | I | 35.1 | Very low | 36.1 | Very low | 155 Ų | 155 | 149.6 Ų | 149.6 | 80% | 0.795 | 77% | 0.769 | S | S | * | * | | | trans | -75 | 92.6 | 168.3 | -60.8 | 174.7 | 0 | 0 | 0 | 105.5 | R853 S857 | R853-I855 VanDerWaalsContact C-N 3.34Å; R853-I855 PolarHBondContact O-N 2.95Å; I855-S857 PolarHBondContact O-N 3.18Å; I855-S857 VanDerWaalsContact O-N 3.11Å |
| 856 | T | 32.7 | Very low | 35.4 | Very low | 102 Ų | 102 | 152.8 Ų | 152.8 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | | | trans | -59.2 | 112.8 | 167.7 | 38.4 | 0 | 0 | 0 | 0 | 108.7 | T854 I858 | T854-T856 VanDerWaalsContact C-N 3.31Å; T854-T856 HydrophobicContact CG2-CG2 4.45Å; T854-T856 PolarHBondContact O-N 3.45Å; T856-I858 PolarHBondContact O-N 3.06Å |
| 857 | S | 31.7 | Very low | 34.6 | Very low | 99 Ų | 99 | 152.4 Ų | 152.4 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | trans | -63.1 | 96.1 | 169.5 | 48.2 | 0 | 0 | 0 | 0 | 109.6 | I855 L859 | I855-S857 PolarHBondContact O-N 3.18Å; I855-S857 VanDerWaalsContact O-N 3.11Å; S857-L859 PolarHBondContact O-N 2.83Å |
| 858 | I | 34.2 | Very low | 33.9 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | -78.9 | 73.5 | 168.7 | -54.5 | 175.9 | 0 | 0 | 0 | 107.5 | T856 S860 | T856-I858 PolarHBondContact O-N 3.06Å; I858-S860 VanDerWaalsContact C-N 3.33Å; I858-S860 PolarHBondContact O-N 2.86Å |
| 859 | L | 30.6 | Very low | 33.6 | Very low | 161 Ų | 161 | 154.7 Ų | 154.7 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | -78 | 85.2 | 159.2 | -103.9 | 105.7 | 0 | 0 | 0 | 107.7 | S857 | S857-L859 PolarHBondContact O-N 2.83Š|
| 860 | S | 30.9 | Very low | 33.3 | Very low | 84 Ų | 84 | 154.3 Ų | 154.3 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | | | trans | -172.2 | 116.9 | 148.8 | 53.4 | 0 | 0 | 0 | 0 | 110.5 | I858 | I858-S860 VanDerWaalsContact C-N 3.33Å; I858-S860 PolarHBondContact O-N 2.86Å |
| 861 | K | 35.1 | Very low | 32.9 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | | 172 | 101 | 123.2 | -90.4 | 163.7 | -173 | -179.4 | 0 | 109.1 | K863 | K861-K863 PolarHBondContact O-N 3.26Š|
| 862 | K | 28.6 | Very low | 32.5 | Very low | 215 Ų | 215 | 152.5 Ų | 152.5 | 94% | 0.935 | 77% | 0.768 | S | S | * | * | | | trans | -52.9 | 115.9 | 160.8 | -69.7 | 175.7 | 173.2 | 177.6 | 0 | 109.4 | | |
| 863 | K | 34.2 | Very low | 32.5 | Very low | 192 Ų | 192 | 152.9 Ų | 152.9 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | | | trans | -140.2 | 92.5 | 156.2 | -72.6 | -168.3 | 175.5 | -175.1 | 0 | 105.9 | K861 | K861-K863 PolarHBondContact O-N 3.26Š|
| 864 | K | 31.5 | Very low | 32.3 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | | 45.4 | 103 | 96.9 | -98 | -167.3 | 170.2 | -178.4 | 0 | 113.8 | | |
| 865 | D | 30.3 | Very low | 32.4 | Very low | 127 Ų | 127 | 150 Ų | 150 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | | | trans | 52.8 | 98.5 | 133.5 | -51.3 | -29.1 | 0 | 0 | 0 | 118.9 | | |
| 866 | Q | 33.9 | Very low | 32.3 | Very low | 189 Ų | 189 | 151.9 Ų | 151.9 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | | | trans | -153 | 116 | 132.6 | -78.4 | -53.9 | -36.8 | 0 | 0 | 109.1 | | |
| 867 | P | 29.9 | Very low | 32.3 | Very low | 98 Ų | 98 | 151.5 Ų | 151.5 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | trans | -92.2 | 157.3 | 168.8 | 35.7 | -28.8 | 0 | 0 | 0 | 110.5 | | |
| 868 | K | 30 | Very low | 32.5 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | 88.1 | 103.4 | 168.6 | -51 | 170 | -178.1 | 179.5 | 0 | 115.3 | | |
| 869 | Q | 36.4 | Very low | 32.4 | Very low | 180 Ų | 180 | 151.5 Ų | 151.5 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | | -160.8 | 111 | 113.5 | -102.4 | 171.1 | 41.4 | 0 | 0 | 108.6 | L871 | Q869-L871 PolarHBondContact O-N 3.11Š|
| 870 | I | 30.3 | Very low | 32.6 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -74.7 | 95.8 | 169.6 | -65.2 | 163.6 | 0 | 0 | 0 | 105 | I872 | I870-I872 HydrophobicContact CG2-CD1 3.91Å; I870-I872 HydrophobicContact CG2-CG1 3.74Å |
| 871 | L | 32.9 | Very low | 32.5 | Very low | 136 Ų | 136 | 156.2 Ų | 156.2 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | | | trans | -101.5 | 92.8 | 166.6 | -140.4 | 87.6 | 0 | 0 | 0 | 107.4 | Q869 V873 | Q869-L871 PolarHBondContact O-N 3.11Å; L871-V873 VanDerWaalsContact C-N 3.3Å; L871-V873 HydrophobicContact CD2-CG2 3.65Å; L871-V873 HydrophobicContact CG-CG2 4.09Å; L871-V873 PolarHBondContact O-N 3.45Å |
| 872 | I | 30.3 | Very low | 32.6 | Very low | 143 Ų | 143 | 152 Ų | 152 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | trans | -70.6 | 92.8 | 168 | -62.8 | 161.7 | 0 | 0 | 0 | 105.8 | I870 | I870-I872 HydrophobicContact CG2-CD1 3.91Å; I870-I872 HydrophobicContact CG2-CG1 3.74Å |
| 873 | V | 35.5 | Very low | 32.8 | Very low | 111 Ų | 111 | 151 Ų | 151 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | | | trans | -107.9 | 107.4 | 164.6 | -179.7 | 0 | 0 | 0 | 0 | 106 | L871 | L871-V873 VanDerWaalsContact C-N 3.3Å; L871-V873 HydrophobicContact CD2-CG2 3.65Å; L871-V873 HydrophobicContact CG-CG2 4.09Å; L871-V873 PolarHBondContact O-N 3.45Å |
| 874 | Q | 33.5 | Very low | 32.8 | Very low | 166 Ų | 166 | 149 Ų | 149 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60 | 131.4 | 177.4 | -67.2 | -159.9 | -3.9 | 0 | 0 | 110 | K876 | Q874-K876 PolarHBondContact O-N 3.43Š|
| 875 | P | 33.9 | Very low | 33 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 118.5 | -179.3 | 26.9 | -31.1 | 0 | 0 | 0 | 109.7 | A877 | P875-A877 PolarHBondContact O-N 3.21Š|
| 876 | K | 32.8 | Very low | 33 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 118.7 | 164.7 | -79.1 | -174.1 | 175.2 | -178.7 | 0 | 108.4 | Q874 N878 | Q874-K876 PolarHBondContact O-N 3.43Å; K876-N878 VanDerWaalsContact C-N 3.34Å; K876-N878 PolarHBondContact O-N 3.01Å |
| 877 | A | 31.2 | Very low | 33.1 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | | | trans | -70 | 84.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P875 | P875-A877 PolarHBondContact O-N 3.21Š|
| 878 | N | 36.2 | Very low | 33.6 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | -96.3 | 88.5 | 163.6 | -70 | 5.3 | 0 | 0 | 0 | 107.5 | K876 N880 | K876-N878 VanDerWaalsContact C-N 3.34Å; K876-N878 PolarHBondContact O-N 3.01Å; N878-N880 VanDerWaalsContact C-N 3.29Å; N878-N880 PolarHBondContact O-N 3.11Å |
| 879 | S | 31.5 | Very low | 34.1 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | -76.1 | 70.3 | -178.3 | 58 | 0 | 0 | 0 | 0 | 112 | K881 | S879-K881 PolarHBondContact O-N 3.25Š|
| 880 | N | 34.9 | Very low | 34.4 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | -95.9 | 81.5 | 162.6 | -71.9 | -10.3 | 0 | 0 | 0 | 108.1 | N878 S882 | N878-N880 VanDerWaalsContact C-N 3.29Å; N878-N880 PolarHBondContact O-N 3.11Å; N880-S882 PolarHBondContact O-N 3.07Å |
| 881 | K | 30.4 | Very low | 34.6 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -67.6 | 84.9 | 167.8 | -85.5 | 176.6 | 175.9 | 167.7 | 0 | 108.3 | S879 K883 | S879-K881 PolarHBondContact O-N 3.25Å; K881-K883 PolarHBondContact O-N 2.94Å; K881-K883 VanDerWaalsContact O-N 3.1Å |
| 882 | S | 36.5 | Very low | 34.7 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | trans | -67.4 | 103.9 | 159.2 | 55.6 | 0 | 0 | 0 | 0 | 107.7 | N880 N884 | N880-S882 PolarHBondContact O-N 3.07Å; S882-N884 PolarHBondContact O-N 3.22Å |
| 883 | K | 33 | Very low | 35.1 | Very low | 193 Ų | 193 | 135.4 Ų | 135.4 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | trans | -73.6 | 81.5 | 170.3 | -74.4 | 179.8 | -179.4 | 171.8 | 0 | 108.3 | K881 K885 | K881-K883 PolarHBondContact O-N 2.94Å; K881-K883 VanDerWaalsContact O-N 3.1Å; K883-K885 PolarHBondContact O-N 3.49Å; K883-K885 VanDerWaalsContact O-N 3.12Å |
| 884 | N | 34.5 | Very low | 35.2 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | | | trans | -68.5 | 99.9 | 155.7 | -83.9 | -11.4 | 0 | 0 | 0 | 108.1 | S882 | S882-N884 PolarHBondContact O-N 3.22Š|
| 885 | K | 34.6 | Very low | 35.6 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | | | trans | -135.1 | 70.9 | 157.8 | -77.7 | -171.7 | 179.7 | 172.8 | 0 | 109.2 | K883 K887 | K883-K885 PolarHBondContact O-N 3.49Å; K883-K885 VanDerWaalsContact O-N 3.12Å; K885-K887 PolarHBondContact O-N 3.23Å; K885-K887 VanDerWaalsContact O-N 3.16Å |
| 886 | G | 30 | Very low | 35.7 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -63.8 | 103.2 | 146.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 887 | K | 37.8 | Very low | 36.1 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | | | trans | -120.9 | 86.4 | 161.1 | -77.5 | -173.3 | 176.2 | -171.9 | 0 | 106.6 | K885 L889 | K885-K887 PolarHBondContact O-N 3.23Å; K885-K887 VanDerWaalsContact O-N 3.16Å; K887-L889 VanDerWaalsContact C-N 3.32Å; K887-L889 PolarHBondContact O-N 3.23Å; K887-L889 VanDerWaalsContact O-N 3.07Å |
| 888 | S | 38.5 | Very low | 36.7 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -62.4 | 100.7 | 152.9 | 56 | 0 | 0 | 0 | 0 | 106.4 | I890 | S888-I890 PolarHBondContact O-N 2.81Å; S888-I890 VanDerWaalsContact O-N 3.12Å |
| 889 | L | 41.2 | Very low | 36.9 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | trans | -72.2 | 105.5 | 169.9 | -82.1 | 163.3 | 0 | 0 | 0 | 107.3 | K887 C891 | K887-L889 VanDerWaalsContact C-N 3.32Å; K887-L889 PolarHBondContact O-N 3.23Å; K887-L889 VanDerWaalsContact O-N 3.07Å; L889-C891 PolarHBondContact O-N 2.99Å |
| 890 | I | 41.8 | Very low | 37 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -50 | 120.6 | 170.3 | -68.8 | 155.9 | 0 | 0 | 0 | 108.4 | S888 G892 | S888-I890 PolarHBondContact O-N 2.81Å; S888-I890 VanDerWaalsContact O-N 3.12Å; I890-G892 PolarHBondContact O-N 3.02Å |
| 891 | C | 36.5 | Very low | 37.1 | Very low | 106 Ų | 106 | 153.4 Ų | 153.4 | 72% | 0.716 | 81% | 0.81 | S | S | * | * | | | trans | -51.8 | 109.6 | 167.4 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | L889 C893 | L889-C891 PolarHBondContact O-N 2.99Å; C891-C893 PolarHBondContact O-N 2.89Å; C891-C893 VanDerWaalsContact O-N 3.09Å |
| 892 | G | 33.7 | Very low | 37.5 | Very low | 64 Ų | 64 | 151.5 Ų | 151.5 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | | | trans | -79.4 | 81.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I890 V894 | I890-G892 PolarHBondContact O-N 3.02Å; G892-V894 PolarHBondContact O-N 2.97Å |
| 893 | C | 38.2 | Very low | 37.5 | Very low | 107 Ų | 107 | 154.2 Ų | 154.2 | 72% | 0.723 | 81% | 0.814 | S | S | * | * | | | trans | -69.8 | 86.2 | 161.9 | -61.8 | 0 | 0 | 0 | 0 | 108.2 | C891 S895 | C891-C893 PolarHBondContact O-N 2.89Å; C891-C893 VanDerWaalsContact O-N 3.09Å; C893-S895 PolarHBondContact O-N 3.47Å |
| 894 | V | 38.7 | Very low | 37.8 | Very low | 129 Ų | 129 | 152.1 Ų | 152.1 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | | | trans | -65.2 | 100.1 | 171.2 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | G892 R896 | G892-V894 PolarHBondContact O-N 2.97Å; V894-R896 PolarHBondContact O-N 3.16Å |
| 895 | S | 40.9 | Very low | 37.9 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | trans | -58.2 | 108.5 | 169 | -61.8 | 0 | 0 | 0 | 0 | 108.6 | C893 K897 | C893-S895 PolarHBondContact O-N 3.47Å; S895-K897 PolarHBondContact O-N 3.01Å |
| 896 | R | 36.2 | Very low | 38.2 | Very low | 244 Ų | 244 | 150.8 Ų | 150.8 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | trans | -62.2 | 104.1 | 171.1 | -68.5 | -177.1 | -172.1 | -170.2 | 2.6 | 107.6 | V894 S898 | V894-R896 PolarHBondContact O-N 3.16Å; R896-S898 PolarHBondContact O-N 3.21Å; R896-S898 VanDerWaalsContact O-N 3.14Å |
| 897 | K | 42.3 | Very low | 38.7 | Very low | 199 Ų | 199 | 155.3 Ų | 155.3 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | | | trans | -62.4 | 111.7 | 165.6 | -78.4 | -176.3 | 174.3 | -179.8 | 0 | 107.5 | S895 K899 | S895-K897 PolarHBondContact O-N 3.01Å; K897-K899 PolarHBondContact O-N 3.42Å; K897-K899 VanDerWaalsContact O-N 3.07Å |
| 898 | S | 42.7 | Very low | 38.8 | Very low | 110 Ų | 110 | 154.9 Ų | 154.9 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | | | trans | -56.7 | 110.3 | 164.7 | 52.1 | 0 | 0 | 0 | 0 | 108.4 | R896 N900 | R896-S898 PolarHBondContact O-N 3.21Å; R896-S898 VanDerWaalsContact O-N 3.14Å; S898-N900 PolarHBondContact O-N 3.18Å; S898-N900 VanDerWaalsContact O-N 3.16Å |
| 899 | K | 41.6 | Very low | 38.8 | Very low | 200 Ų | 200 | 158.3 Ų | 158.3 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | | | trans | -70.7 | 105.7 | 167.2 | -82.1 | 179.2 | 176.1 | 173.8 | 0 | 107 | K897 R901 | K897-K899 PolarHBondContact O-N 3.42Å; K897-K899 VanDerWaalsContact O-N 3.07Å; K899-R901 PolarHBondContact O-N 3.06Å |
| 900 | N | 33.6 | Very low | 38.6 | Very low | 164 Ų | 164 | 158 Ų | 158 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | | | trans | -64.8 | 108.5 | 152.7 | -86.6 | -19 | 0 | 0 | 0 | 107.1 | S898 | S898-N900 PolarHBondContact O-N 3.18Å; S898-N900 VanDerWaalsContact O-N 3.16Å |
| 901 | R | 36.7 | Very low | 38.3 | Very low | 314 Ų | 314 | 158.5 Ų | 158.5 | 100% | 1.185 | 83% | 0.829 | S | S | * | * | | | trans | -157 | 0 | 147.4 | -144.9 | 177.6 | -169.6 | -177.6 | 1.6 | 110.3 | K899 | K899-R901 PolarHBondContact O-N 3.06Š|