| 1 | M | 45.2 | Very low | 49.6 | Very low | 221 Ų | 221 | 151.3 Ų | 151.3 | 100% | 1.089 | 84% | 0.835 | S | S | * | * | | | | 0 | 70.8 | 0 | -56.8 | 173.6 | -174.7 | 0 | 0 | 106.4 | | |
| 2 | E | 44.4 | Very low | 49.6 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | | | | 68.2 | 132 | 69.9 | -65 | 167.9 | 116.5 | 0 | 0 | 111.3 | | |
| 3 | T | 53.6 | Low | 49.8 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | | | cis | -136.9 | 171.8 | 10.2 | 36.9 | 0 | 0 | 0 | 0 | 113 | | |
| 4 | N | 43.6 | Very low | 50 | Low | 155 Ų | 155 | 147.1 Ų | 147.1 | 83% | 0.829 | 83% | 0.827 | S | S | * | * | | | trans | -101.7 | -165.6 | -177.1 | -154.5 | -27.3 | 0 | 0 | 0 | 111.1 | | |
| 5 | V | 53.3 | Low | 50.2 | Low | 142 Ų | 142 | 143.5 Ų | 143.5 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | | | trans | 84.8 | 129.4 | 176.2 | -168.8 | 0 | 0 | 0 | 0 | 114 | | |
| 6 | G | 48.1 | Very low | 50.7 | Low | 63 Ų | 63 | 139.4 Ų | 139.4 | 65% | 0.649 | 82% | 0.823 | S | S | * | * | | | cis | 150.6 | 128.3 | -1.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 7 | P | 53.2 | Low | 50.8 | Low | 132 Ų | 132 | 139.8 Ų | 139.8 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | | | trans | -94.2 | 153.8 | -168.1 | 36.1 | -35.6 | 0 | 0 | 0 | 114.7 | | |
| 8 | R | 48.8 | Very low | 51.5 | Low | 251 Ų | 251 | 142.8 Ų | 142.8 | 95% | 0.947 | 83% | 0.825 | S | S | * | * | | | trans | -146.1 | 124 | 164.2 | -76.8 | -170.8 | 173 | -173.2 | -3.2 | 112.3 | | |
| 9 | T | 48.6 | Very low | 51.5 | Low | 132 Ų | 132 | 145.3 Ų | 145.3 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | | | trans | -94.4 | -174.7 | 147.7 | 53.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 10 | P | 55.9 | Low | 52.1 | Low | 100 Ų | 100 | 144.8 Ų | 144.8 | 65% | 0.649 | 83% | 0.827 | S | S | * | * | | | cis | -126.7 | -169.2 | -5.2 | 41.7 | -24.6 | 0 | 0 | 0 | 112.8 | | |
| 11 | N | 51.4 | Low | 52.5 | Low | 153 Ų | 153 | 146.3 Ų | 146.3 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | | -172.5 | 148.3 | 126.9 | -90.9 | -8.6 | 0 | 0 | 0 | 110.6 | | |
| 12 | D | 49.7 | Very low | 52.9 | Low | 133 Ų | 133 | 143.3 Ų | 143.3 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | | | trans | -79.8 | 164.8 | -177.2 | -51.1 | -94.8 | 0 | 0 | 0 | 112.5 | | |
| 13 | D | 51.3 | Low | 53.7 | Low | 164 Ų | 164 | 138.4 Ų | 138.4 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | | 165.8 | 157.5 | 112.1 | -93.5 | -40.5 | 0 | 0 | 0 | 115.4 | | |
| 14 | A | 53.3 | Low | 53.6 | Low | 98 Ų | 98 | 139 Ų | 139 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | 75.7 | 105.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 15 | A | 52.7 | Low | 54.6 | Low | 94 Ų | 94 | 138.7 Ų | 138.7 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | | | trans | -51.7 | 167.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 16 | G | 58.2 | Low | 54.6 | Low | 78 Ų | 78 | 139.3 Ų | 139.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -167 | 86.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 17 | D | 53.4 | Low | 55.1 | Low | 146 Ų | 146 | 142.6 Ų | 142.6 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | | | trans | -81.6 | 138.3 | 174.5 | -50.7 | -74.1 | 0 | 0 | 0 | 110.4 | | |
| 18 | E | 62.3 | Low | 54.8 | Low | 194 Ų | 194 | 140.9 Ų | 140.9 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | | | trans | -142.7 | 127.4 | 147.6 | -76.5 | -155.7 | 166 | 0 | 0 | 110 | | |
| 19 | E | 50.9 | Low | 55.1 | Low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | | | trans | -93.7 | 138.4 | 176.4 | -58.6 | 177.6 | 132.7 | 0 | 0 | 109.6 | | |
| 20 | V | 63.6 | Low | 55 | Low | 134 Ų | 134 | 138.5 Ų | 138.5 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -138.3 | 98.3 | 161.7 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 21 | E | 61.7 | Low | 54.6 | Low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | | | trans | 24.6 | 121.1 | 146.3 | -57.9 | -169.9 | 146.7 | 0 | 0 | 121.9 | | |
| 22 | D | 52.2 | Low | 54.1 | Low | 159 Ų | 159 | 139.1 Ų | 139.1 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | | | trans | -7.1 | 147.4 | 141.9 | -54.6 | -49.7 | 0 | 0 | 0 | 120.6 | | |
| 23 | G | 61.6 | Low | 53.8 | Low | 75 Ų | 75 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -160.4 | 72.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 24 | D | 52.9 | Low | 53.3 | Low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | -76.1 | 131.4 | 171.5 | -70.8 | -45 | 0 | 0 | 0 | 111 | | |
| 25 | D | 64.8 | Low | 52.4 | Low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -142 | 78.2 | 167.8 | -99.2 | -44.8 | 0 | 0 | 0 | 110.9 | I27 | D25-I27 PolarHBondContact O-N 2.71Š|
| 26 | D | 53.3 | Low | 51.5 | Low | 154 Ų | 154 | 142.2 Ų | 142.2 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -75.3 | 92.4 | 167.6 | -93.4 | -38 | 0 | 0 | 0 | 110.7 | S28 | D26-S28 PolarHBondContact O-N 2.84Š|
| 27 | I | 58 | Low | 50.5 | Low | 132 Ų | 132 | 150.5 Ų | 150.5 | 68% | 0.677 | 80% | 0.797 | S | S | * | * | | | trans | -88.8 | 85.2 | 168.9 | -61.6 | -177.8 | 0 | 0 | 0 | 110.3 | D25 D29 | D25-I27 PolarHBondContact O-N 2.71Å; I27-D29 HydrophobicContact CG2-CB 4.37Å; I27-D29 PolarHBondContact O-N 2.77Å |
| 28 | S | 46.2 | Very low | 49.6 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | trans | -85.8 | 80.3 | 165.6 | -68.6 | 0 | 0 | 0 | 0 | 110.6 | D26 K30 | D26-S28 PolarHBondContact O-N 2.84Å; S28-K30 PolarHBondContact O-N 2.83Å; S28-K30 VanDerWaalsContact O-N 3.16Å |
| 29 | D | 55.3 | Low | 48.4 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | -74.2 | 110.3 | -178.6 | -102.8 | -20.8 | 0 | 0 | 0 | 112.8 | I27 | I27-D29 HydrophobicContact CG2-CB 4.37Å; I27-D29 PolarHBondContact O-N 2.77Å |
| 30 | K | 47.1 | Very low | 47.7 | Very low | 181 Ų | 181 | 146.9 Ų | 146.9 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | | | trans | -78.2 | 119 | 176.5 | -60.5 | 169 | -177.1 | 173.4 | 0 | 109.5 | S28 | S28-K30 PolarHBondContact O-N 2.83Å; S28-K30 VanDerWaalsContact O-N 3.16Å |
| 31 | L | 46.1 | Very low | 47 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | | | trans | -112.7 | 76.5 | 154.8 | -78.3 | 173.8 | 0 | 0 | 0 | 110.2 | | |
| 32 | V | 41.3 | Very low | 45.7 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 66% | 0.655 | 79% | 0.788 | S | S | * | * | | | trans | -69.2 | 118.2 | 149.5 | 176.5 | 0 | 0 | 0 | 0 | 106.1 | | |
| 33 | I | 43.6 | Very low | 44.9 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | | | trans | -112.5 | 112.9 | 164.3 | -64.7 | -179.2 | 0 | 0 | 0 | 106.3 | | |
| 34 | D | 41.7 | Very low | 43.6 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | | | trans | -66 | 158 | -174.4 | -71.8 | -60.5 | 0 | 0 | 0 | 113.5 | | |
| 35 | C | 33.7 | Very low | 42.9 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | | | trans | -71.8 | 177.5 | 172.1 | -66.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 36 | D | 34.7 | Very low | 41.7 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | | | trans | 71.4 | 84.5 | 161 | -57.7 | -28.4 | 0 | 0 | 0 | 118.7 | | |
| 37 | R | 36.3 | Very low | 40.8 | Very low | 251 Ų | 251 | 144.6 Ų | 144.6 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | | | | -143.6 | 118.8 | 129.5 | -152.2 | 153.3 | -174.7 | 139 | -1.5 | 114.8 | | |
| 38 | A | 34.4 | Very low | 39.8 | Very low | 89 Ų | 89 | 144.4 Ų | 144.4 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -72 | 148 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 39 | R | 36.9 | Very low | 39.3 | Very low | 237 Ų | 237 | 146.7 Ų | 146.7 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | | | | -174.4 | 126.5 | 112.4 | -104.6 | 174.8 | 173.6 | 177 | -2.9 | 112.5 | | |
| 40 | T | 36.8 | Very low | 38.2 | Very low | 129 Ų | 129 | 145 Ų | 145 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -67.3 | 155.9 | 156.8 | 45.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 41 | P | 48.1 | Very low | 37.7 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | | -123.6 | 130.9 | 125.3 | 33.8 | -29 | 0 | 0 | 0 | 111.4 | | |
| 42 | E | 34.7 | Very low | 37.4 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -60.6 | 161.9 | 155.5 | -54.3 | 179.4 | 117.3 | 0 | 0 | 109.7 | | |
| 43 | T | 34.7 | Very low | 36.9 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | | | | 164.6 | 104.5 | 127 | -73 | 0 | 0 | 0 | 0 | 112.2 | | |
| 44 | V | 35.3 | Very low | 36.5 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | | | trans | 63.1 | 119.3 | 133.5 | -179.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 45 | L | 37.5 | Very low | 36.1 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | trans | -59.6 | 149.5 | 158.7 | -62.8 | 164.1 | 0 | 0 | 0 | 112.2 | | |
| 46 | P | 40.5 | Very low | 36.4 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | -124.7 | 113.2 | 143.7 | 33.1 | -22.6 | 0 | 0 | 0 | 111.9 | | |
| 47 | S | 33.2 | Very low | 36.4 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -79.7 | 117.2 | 154.1 | 55 | 0 | 0 | 0 | 0 | 109.1 | | |
| 48 | T | 38.9 | Very low | 36.5 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -132.4 | 113.9 | 161.9 | 40.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 49 | V | 35.4 | Very low | 37 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | | | trans | -63.4 | 142.8 | 158.5 | -75.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 50 | S | 32.2 | Very low | 37 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | | -161.1 | 126.9 | 127.5 | -129.9 | 0 | 0 | 0 | 0 | 111 | | |
| 51 | S | 36.1 | Very low | 37.1 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | trans | -62 | 142 | 158.4 | 45.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 52 | D | 39.2 | Very low | 36.6 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | | | | -159 | 152.6 | 122.7 | -112 | -36.1 | 0 | 0 | 0 | 115.9 | | |
| 53 | C | 31.5 | Very low | 36.8 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | trans | -66.8 | 141.8 | -171.9 | -45.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 54 | N | 34.5 | Very low | 37 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | | -156.5 | 148 | 120.3 | -146.6 | -11.9 | 0 | 0 | 0 | 114.3 | | |
| 55 | V | 33.3 | Very low | 37.1 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | | | trans | -99.6 | 133.5 | 176.7 | 169.6 | 0 | 0 | 0 | 0 | 109.6 | K57 | V55-K57 HydrophobicContact CG1-CB 4.45Š|
| 56 | Q | 39.9 | Very low | 37.3 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | trans | -168.6 | 103.1 | 139.5 | -104.7 | 157.8 | 56.9 | 0 | 0 | 108.5 | | |
| 57 | K | 34.8 | Very low | 37.1 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | | 82.3 | 137.1 | 60.7 | -172.1 | 179.2 | -175.7 | -179.6 | 0 | 112.1 | V55 | V55-K57 HydrophobicContact CG1-CB 4.45Š|
| 58 | S | 38.9 | Very low | 37.2 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | trans | 92.9 | 135.2 | 168.2 | 86.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 59 | T | 44.7 | Very low | 37.5 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | cis | -161.8 | 141.9 | -12.6 | 6.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 60 | K | 37.6 | Very low | 37.8 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | | | | 54.2 | 109.7 | 127.5 | -159.7 | 176.5 | -174.8 | -176 | 0 | 118 | | |
| 61 | A | 37.3 | Very low | 38 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | cis | 76.8 | 112.5 | 46.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 62 | E | 38.8 | Very low | 38.3 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | -156.1 | 160.2 | 147.8 | -89.3 | -149 | 108.6 | 0 | 0 | 108.8 | | |
| 63 | K | 38.3 | Very low | 38.2 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | | | cis | 179.8 | 174.5 | -28.9 | -167 | 171.4 | 177.9 | -178.3 | 0 | 107.6 | | |
| 64 | A | 39.7 | Very low | 38.3 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | trans | 78.8 | 144.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 65 | S | 37.4 | Very low | 38.5 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | cis | -169.7 | 175 | -14.8 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 66 | A | 40.8 | Very low | 38.3 | Very low | 79 Ų | 79 | 141.2 Ų | 141.2 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | | | trans | 76.4 | 111.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 67 | R | 37.6 | Very low | 38.1 | Very low | 241 Ų | 241 | 139.3 Ų | 139.3 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | | 73.2 | 140.6 | 66.2 | -71.5 | 178.6 | 177.2 | -173 | 0.2 | 111.5 | | |
| 68 | C | 35.1 | Very low | 38.2 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | | | cis | -154.9 | 151.2 | 12.3 | -148.4 | 0 | 0 | 0 | 0 | 111 | | |
| 69 | N | 44.4 | Very low | 38.2 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | | | | -174.1 | 148.5 | 111.3 | -89.2 | -23.4 | 0 | 0 | 0 | 111.6 | | |
| 70 | K | 40.9 | Very low | 37.7 | Very low | 206 Ų | 206 | 136.3 Ų | 136.3 | 90% | 0.896 | 75% | 0.749 | S | S | * | * | | | trans | -119.8 | 155.8 | -178.2 | -72.5 | 179.4 | 175.2 | 179.3 | 0 | 110.2 | | |
| 71 | G | 37.7 | Very low | 37.8 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | | | trans | 151.6 | 92.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 72 | L | 42.3 | Very low | 37.8 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | | | | 59.1 | 129.2 | 77.5 | -60.6 | 179.6 | 0 | 0 | 0 | 112.2 | | |
| 73 | K | 36.9 | Very low | 37.8 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | cis | -170.1 | 163.1 | -11.2 | -138.9 | -175.6 | -166.9 | -178.5 | 0 | 107.9 | | |
| 74 | A | 33.7 | Very low | 37.6 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 63% | 0.628 | 75% | 0.748 | S | S | * | * | | | trans | 71.4 | 116.1 | 138.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 75 | L | 37.8 | Very low | 37.5 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | | | | 102.6 | 132 | 117.8 | -75.8 | 171.8 | 0 | 0 | 0 | 122 | | |
| 76 | E | 29.6 | Very low | 37.8 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | trans | 76.4 | 125 | 141.6 | -60.5 | -101.3 | 105.5 | 0 | 0 | 121.2 | | |
| 77 | L | 35.9 | Very low | 37.5 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | 52 | 150.9 | 136.7 | -83.2 | 85 | 0 | 0 | 0 | 120.6 | | |
| 78 | S | 37.3 | Very low | 37.7 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 54% | 0.538 | 74% | 0.737 | S | S | . | * | | | cis | -163 | 177.2 | -2.7 | 47.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 79 | E | 37.6 | Very low | 37.8 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | 66.3 | 103.2 | 144.8 | -75.3 | 158.3 | 121.2 | 0 | 0 | 122.4 | | |
| 80 | S | 35.1 | Very low | 37.7 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | | | | 43.4 | 105.5 | 101 | -51.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 81 | K | 38.7 | Very low | 37.5 | Very low | 197 Ų | 197 | 128 Ų | 128 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | | | trans | 162.3 | 113.6 | 130.2 | -89.6 | 155.6 | -176.1 | 166.3 | 0 | 108.8 | | |
| 82 | S | 38.3 | Very low | 37.5 | Very low | 93 Ų | 93 | 129.7 Ų | 129.7 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | | 84.5 | 132.6 | 63.7 | 81 | 0 | 0 | 0 | 0 | 115.2 | | |
| 83 | K | 39.3 | Very low | 37.2 | Very low | 185 Ų | 185 | 127.6 Ų | 127.6 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | 88.5 | 145.9 | 149.8 | -74.7 | -179.8 | 175.4 | 178.5 | 0 | 120.9 | | |
| 84 | T | 34.5 | Very low | 37 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | trans | 72.6 | 142.5 | 143.7 | 44.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 85 | S | 37.3 | Very low | 37.2 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | | | cis | -178.9 | -178.3 | -14.5 | 43.4 | 0 | 0 | 0 | 0 | 110 | | |
| 86 | L | 42.6 | Very low | 37 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | | | trans | 78 | 136.4 | 167.7 | -40.4 | 176.8 | 0 | 0 | 0 | 113 | | |
| 87 | G | 34 | Very low | 37.2 | Very low | 70 Ų | 70 | 125.9 Ų | 125.9 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | | | cis | 112.4 | 145.9 | 19.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 88 | S | 41.7 | Very low | 37.1 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | | | cis | -167.9 | 157.2 | 4.9 | -48.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 89 | K | 39 | Very low | 37.3 | Very low | 197 Ų | 197 | 126.3 Ų | 126.3 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | | | trans | 66 | 158.8 | 150.5 | -60.4 | 157.3 | -176.2 | -178.3 | 0 | 116.9 | | |
| 90 | S | 41.4 | Very low | 36.9 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | cis | -151.4 | 141.9 | 13.4 | -20.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 91 | S | 36.3 | Very low | 37 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | | 48.3 | 142.2 | 106.9 | 73.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 92 | S | 38.6 | Very low | 36.6 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | | | cis | -173.9 | 125.7 | 29.7 | 27.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 93 | S | 34.9 | Very low | 36.1 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | | 83 | 138.5 | 77.8 | 76.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 94 | S | 34.5 | Very low | 35.7 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | 77.2 | 146.2 | 156.9 | -130.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 95 | S | 37 | Very low | 35.3 | Very low | 84 Ų | 84 | 128.5 Ų | 128.5 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | | | cis | -167.8 | 145 | -4.4 | 14.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 96 | Q | 33 | Very low | 35 | Very low | 176 Ų | 176 | 128.5 Ų | 128.5 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | 65.4 | 161.7 | 136.1 | -63.8 | 178 | -25.6 | 0 | 0 | 123.1 | | |
| 97 | L | 35 | Very low | 34.4 | Very low | 153 Ų | 153 | 126 Ų | 126 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | | | trans | 83.5 | 91.9 | 160.4 | -49.9 | -173.5 | 0 | 0 | 0 | 118.1 | | |
| 98 | S | 33.5 | Very low | 34.1 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | -70.4 | 157.1 | 140 | 50.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 99 | P | 40.8 | Very low | 33.6 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | | | trans | -128.2 | 136 | 134.1 | 34.7 | -26.9 | 0 | 0 | 0 | 111.9 | | |
| 100 | S | 29.6 | Very low | 33.1 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -61.3 | 133.7 | 158.7 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 101 | M | 36.8 | Very low | 32.5 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -135.3 | 132.6 | 152.9 | -80 | -145.5 | 70.3 | 0 | 0 | 111.6 | | |
| 102 | S | 30.8 | Very low | 32.1 | Very low | 82 Ų | 82 | 132.4 Ų | 132.4 | 57% | 0.573 | 77% | 0.767 | S | S | * | * | | | trans | -89.5 | 156.6 | -171.2 | 13.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 103 | F | 27.8 | Very low | 31.8 | Very low | 196 Ų | 196 | 133 Ų | 133 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | trans | 12.2 | 135 | 152.5 | -24 | -66.7 | 0 | 0 | 0 | 119.3 | | |
| 104 | S | 30.9 | Very low | 31.6 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | | | | -160.6 | 158.1 | 121 | -87.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 105 | F | 26.6 | Very low | 31.3 | Very low | 213 Ų | 213 | 135.6 Ų | 135.6 | 93% | 0.934 | 77% | 0.773 | S | S | * | * | | | trans | -82.3 | -172.6 | -172 | -127.8 | -111.3 | 0 | 0 | 0 | 113.2 | | |
| 106 | A | 29.7 | Very low | 31 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | 89.8 | 140.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 107 | S | 30.6 | Very low | 30.9 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | cis | -160.1 | 167.9 | -4.7 | 35.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 108 | E | 28.1 | Very low | 30.8 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -60.2 | 155 | -179.7 | -59.1 | 149.3 | 101.1 | 0 | 0 | 114.9 | | |
| 109 | A | 30.8 | Very low | 30.6 | Very low | 103 Ų | 103 | 135 Ų | 135 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -155.1 | 104.5 | 139.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 110 | K | 27.9 | Very low | 30.2 | Very low | 180 Ų | 180 | 136 Ų | 136 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | -82.4 | 151.6 | 155.3 | -73.1 | 178.8 | 175.4 | 179.5 | 0 | 108.3 | | |
| 111 | F | 29.7 | Very low | 30.3 | Very low | 190 Ų | 190 | 137.6 Ų | 137.6 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | | | trans | -142.1 | 138.6 | 154.6 | -128.5 | -82.6 | 0 | 0 | 0 | 110.7 | | |
| 112 | S | 28.4 | Very low | 29.9 | Very low | 45 Ų | 45 | 136 Ų | 136 | 32% | 0.315 | 77% | 0.772 | S | S | . | * | | | trans | -141.5 | 143 | -178.5 | 41.8 | 0 | 0 | 0 | 0 | 112 | D687 | S112-D687 WeakPolarHBondContact CB-OD1 3.45Å; S112-D687 WeakPolarHBondContact CB-OD2 3.17Å; S112-D687 PolarHBondContact OG-OD2 3.39Å |
| 113 | S | 32.2 | Very low | 30 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | -175.6 | 126.2 | 159.4 | -76.2 | 0 | 0 | 0 | 0 | 105.1 | | |
| 114 | A | 29.5 | Very low | 30.1 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | | | cis | 106.6 | 127.3 | 35.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 115 | E | 29.5 | Very low | 30.3 | Very low | 191 Ų | 191 | 134.8 Ų | 134.8 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | | | trans | 64.7 | 149.9 | 168.4 | -50.4 | -172.5 | 141.1 | 0 | 0 | 115.9 | | |
| 116 | E | 30.2 | Very low | 30.5 | Very low | 191 Ų | 191 | 129.9 Ų | 129.9 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | | | cis | -124.5 | 157.5 | -4.3 | -64.2 | 175.5 | 106.1 | 0 | 0 | 107.1 | | |
| 117 | G | 30.9 | Very low | 30.6 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | | | cis | 94.9 | 79.5 | 48.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 118 | N | 33.2 | Very low | 30.8 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | | | trans | -167.2 | 141.9 | 139.4 | -116.8 | -40.4 | 0 | 0 | 0 | 114.5 | | |
| 119 | A | 28.3 | Very low | 31.1 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -115.4 | 127.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 120 | V | 33.9 | Very low | 31.3 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | | | trans | -147.9 | 88 | 165.5 | 179.5 | 0 | 0 | 0 | 0 | 104.3 | | |
| 121 | Q | 30.8 | Very low | 31.8 | Very low | 149 Ų | 149 | 130 Ų | 130 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | | | | 48.4 | 110.5 | 75.7 | -163.7 | 169 | 3.4 | 0 | 0 | 113.8 | | |
| 122 | E | 28 | Very low | 32.4 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | trans | 59.6 | 121.9 | 157.5 | -70.2 | 164.9 | -138.8 | 0 | 0 | 119.2 | | |
| 123 | N | 32.7 | Very low | 32.8 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | | | | -153.4 | 106.3 | 104.6 | -93 | -55.3 | 0 | 0 | 0 | 110 | | |
| 124 | A | 30.2 | Very low | 33.4 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | | | trans | -76.5 | 127 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 125 | S | 34.4 | Very low | 34 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | -127.9 | 85.3 | 165.6 | 64.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 126 | S | 31.6 | Very low | 34.6 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -60.2 | 140.3 | 162.2 | 51.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 127 | F | 32 | Very low | 35.4 | Very low | 212 Ų | 212 | 125.9 Ų | 125.9 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | | | trans | -134.7 | 121 | 151.6 | -133.4 | -88 | 0 | 0 | 0 | 109.7 | | |
| 128 | D | 34.5 | Very low | 35.6 | Very low | 146 Ų | 146 | 126.5 Ų | 126.5 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | trans | -99.9 | -178 | 178 | -175.5 | 22 | 0 | 0 | 0 | 109.3 | | |
| 129 | A | 35 | Very low | 36.1 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | | | trans | 93.9 | 142.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 130 | T | 34.9 | Very low | 37 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 61% | 0.607 | 77% | 0.773 | S | S | * | * | | | cis | -161.8 | 151.6 | -21.8 | -77.8 | 0 | 0 | 0 | 0 | 108 | | |
| 131 | E | 38.9 | Very low | 37.7 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | | | trans | -27.5 | 156.6 | 155.5 | -86.2 | -83.4 | 149.6 | 0 | 0 | 117.1 | S133 | E131-S133 PolarHBondContact OE2-N 2.82Š|
| 132 | P | 40.6 | Very low | 38.7 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | | | | -152.1 | 117.4 | 100.6 | 35.7 | -15.9 | 0 | 0 | 0 | 118.3 | | |
| 133 | S | 37 | Very low | 40 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 52% | 0.517 | 78% | 0.784 | S | S | . | * | | | | 74 | 137.2 | 112 | 92.3 | 0 | 0 | 0 | 0 | 123.1 | E131 | E131-S133 PolarHBondContact OE2-N 2.82Š|
| 134 | K | 45.2 | Very low | 41 | Very low | 201 Ų | 201 | 139 Ų | 139 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | 67 | 135.1 | 150 | -64.9 | 166.2 | -177.7 | 172.5 | 0 | 116.5 | | |
| 135 | A | 41.7 | Very low | 42 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | | | cis | -156.9 | 173 | 20 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 136 | G | 41.8 | Very low | 42.6 | Very low | 67 Ų | 67 | 146 Ų | 146 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | 135.7 | 80.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 137 | N | 47.5 | Very low | 43.5 | Very low | 169 Ų | 169 | 150.6 Ų | 150.6 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | | | trans | 47.2 | 103.3 | 147.9 | -58.6 | -4.1 | 0 | 0 | 0 | 119.5 | | |
| 138 | G | 35.8 | Very low | 44 | Very low | 79 Ų | 79 | 148.8 Ų | 148.8 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | | | trans | -87.4 | 144 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 139 | L | 43.9 | Very low | 44.5 | Very low | 178 Ų | 178 | 146 Ų | 146 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | | | trans | -100.6 | 102.9 | 162.9 | -80.4 | 159.8 | 0 | 0 | 0 | 109.3 | M141 | L139-M141 PolarHBondContact O-N 2.76Š|
| 140 | R | 46.3 | Very low | 45.2 | Very low | 224 Ų | 224 | 149.1 Ų | 149.1 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -90.4 | 91.3 | 173.1 | -76.9 | 179 | 71.6 | -170.7 | 7.5 | 110.9 | K142 | R140-K142 PolarHBondContact O-N 3.28Š|
| 141 | M | 49.4 | Very low | 45.9 | Very low | 178 Ų | 178 | 155 Ų | 155 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | | | trans | -69.4 | 121.1 | 162.2 | -86.6 | -175 | 162.8 | 0 | 0 | 110.3 | L139 | L139-M141 PolarHBondContact O-N 2.76Š|
| 142 | K | 51.6 | Low | 46.2 | Very low | 186 Ų | 186 | 157.3 Ų | 157.3 | 81% | 0.809 | 82% | 0.82 | S | S | * | * | | | trans | -93.4 | 95.1 | 170.4 | -75.5 | -179.8 | 175.9 | 175.4 | 0 | 109.7 | R140 K144 | R140-K142 PolarHBondContact O-N 3.28Å; K142-K144 PolarHBondContact O-N 2.57Å |
| 143 | I | 54.8 | Low | 46.4 | Very low | 142 Ų | 142 | 157 Ų | 157 | 73% | 0.728 | 82% | 0.82 | S | S | * | * | | | trans | -84.2 | 105.4 | 167.9 | -59.3 | 177.6 | 0 | 0 | 0 | 108.3 | M145 | I143-M145 HydrophobicContact CG2-CG 4.44Å; I143-M145 PolarHBondContact O-N 2.97Å |
| 144 | K | 53.1 | Low | 46.4 | Very low | 201 Ų | 201 | 158.3 Ų | 158.3 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | | | trans | -84.3 | 93.9 | 174.5 | -175.8 | 177.6 | -179.5 | 179.4 | 0 | 109 | K142 K146 | K142-K144 PolarHBondContact O-N 2.57Å; K144-K146 PolarHBondContact O-N 3.39Å |
| 145 | M | 51.8 | Low | 46.3 | Very low | 174 Ų | 174 | 153.6 Ų | 153.6 | 86% | 0.857 | 83% | 0.834 | S | S | * | * | | | trans | -64.5 | 119.9 | 172.5 | -65.7 | -168.8 | -174.9 | 0 | 0 | 110.1 | I143 | I143-M145 HydrophobicContact CG2-CG 4.44Å; I143-M145 PolarHBondContact O-N 2.97Å |
| 146 | K | 47.7 | Very low | 46.4 | Very low | 193 Ų | 193 | 159.6 Ų | 159.6 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | | | trans | -83 | 114.2 | 174.4 | -165.2 | 176.7 | -177.1 | -176.9 | 0 | 107.8 | K144 M148 | K144-K146 PolarHBondContact O-N 3.39Å; K146-M148 PolarHBondContact O-N 2.82Å |
| 147 | K | 50 | Low | 46.5 | Very low | 205 Ų | 205 | 165 Ų | 165 | 89% | 0.891 | 84% | 0.841 | S | S | * | * | | | trans | -62.2 | 103.4 | 178.7 | -178.6 | 176.4 | -178.8 | 174.9 | 0 | 109.8 | | |
| 148 | M | 43.4 | Very low | 46.3 | Very low | 174 Ų | 174 | 165 Ų | 165 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | | | trans | -84.6 | 133.4 | 167.5 | -67.6 | -142.4 | -81 | 0 | 0 | 109.5 | K146 | K146-M148 PolarHBondContact O-N 2.82Š|
| 149 | A | 43.9 | Very low | 46.7 | Very low | 88 Ų | 88 | 167.6 Ų | 167.6 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | | | trans | -87.3 | 123.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R151 | A149-R151 PolarHBondContact O-N 3.47Å; A149-R151 VanDerWaalsContact O-N 3.09Å |
| 150 | T | 49.4 | Very low | 47 | Very low | 136 Ų | 136 | 165.1 Ų | 165.1 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | | | trans | -66.5 | 106.1 | 171.5 | -47.7 | 0 | 0 | 0 | 0 | 109.5 | Q152 | T150-Q152 PolarHBondContact O-N 2.7Š|
| 151 | R | 50 | Low | 46.5 | Very low | 224 Ų | 224 | 158.6 Ų | 158.6 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | | | trans | -71.8 | 108.6 | 168.3 | -70.8 | 175.4 | 71.3 | -171.8 | 3.2 | 108.4 | A149 S153 | A149-R151 PolarHBondContact O-N 3.47Å; A149-R151 VanDerWaalsContact O-N 3.09Å; R151-S153 PolarHBondContact O-N 3.37Å |
| 152 | Q | 46.2 | Very low | 46.3 | Very low | 193 Ų | 193 | 157.3 Ų | 157.3 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -70 | 122.3 | 161.6 | -77.4 | -179.6 | -24 | 0 | 0 | 108.6 | T150 | T150-Q152 PolarHBondContact O-N 2.7Š|
| 153 | S | 44.1 | Very low | 45.6 | Very low | 104 Ų | 104 | 155 Ų | 155 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -116.6 | 90.9 | 170.3 | -65.9 | 0 | 0 | 0 | 0 | 108.4 | R151 A155 | R151-S153 PolarHBondContact O-N 3.37Å; S153-A155 PolarHBondContact O-N 3.12Å |
| 154 | A | 37.6 | Very low | 45.4 | Very low | 102 Ų | 102 | 154.7 Ų | 154.7 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | | | trans | -79.4 | 108.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 155 | A | 41.4 | Very low | 44.9 | Very low | 102 Ų | 102 | 152 Ų | 152 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -91.1 | 109 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | S153 | S153-A155 PolarHBondContact O-N 3.12Š|
| 156 | R | 44.8 | Very low | 44.3 | Very low | 233 Ų | 233 | 148.7 Ų | 148.7 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | | | trans | -93 | 137.4 | 164.8 | -77.3 | 175.7 | 152.1 | -177 | -8.3 | 108.4 | | |
| 157 | H | 43.5 | Very low | 43.9 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | trans | -134.9 | 150.5 | 154.7 | -99.9 | -79.1 | 0 | 0 | 0 | 110.1 | | |
| 158 | E | 43.1 | Very low | 43.4 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | | | trans | -72.4 | 149.9 | -164.4 | -64.9 | 156.9 | 108.7 | 0 | 0 | 113.7 | | |
| 159 | V | 43.9 | Very low | 43.4 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | -108.9 | 110.2 | 152.9 | 178.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 160 | V | 50.6 | Low | 43.1 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | | | trans | -70 | 138.5 | 171.8 | 179 | 0 | 0 | 0 | 0 | 108.6 | | |
| 161 | S | 36 | Very low | 42.6 | Very low | 86 Ų | 86 | 141.4 Ų | 141.4 | 60% | 0.601 | 81% | 0.807 | S | S | * | * | | | trans | -134.7 | 174.1 | 176.8 | -68 | 0 | 0 | 0 | 0 | 110.1 | | |
| 162 | L | 44.8 | Very low | 42 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | 76.7 | 146.4 | 173.8 | -36.8 | -178 | 0 | 0 | 0 | 114.7 | | |
| 163 | D | 38.2 | Very low | 41.8 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | | | cis | -174.8 | 135.7 | -23.5 | -95.8 | -27 | 0 | 0 | 0 | 106 | | |
| 164 | V | 50.5 | Low | 41.7 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | trans | -150.7 | 104.4 | 160.3 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 165 | D | 42.9 | Very low | 42.1 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | | | trans | 41.4 | 117.1 | 139.8 | -58.6 | -53.3 | 0 | 0 | 0 | 124.9 | | |
| 166 | A | 37.9 | Very low | 42.2 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | | 10.7 | 134.1 | 127.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 167 | G | 40.9 | Very low | 42.3 | Very low | 82 Ų | 82 | 142.8 Ų | 142.8 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | -175.1 | 108.2 | 164 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 168 | T | 38.7 | Very low | 42.3 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | | | trans | -73.2 | 150.8 | 179.5 | 47.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 169 | S | 42.8 | Very low | 42.4 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | | | | 133.5 | 116 | 123.2 | -174.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 170 | R | 38.9 | Very low | 42.6 | Very low | 245 Ų | 245 | 138.1 Ų | 138.1 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | trans | 47.8 | 136.7 | 136.3 | -62 | 175.8 | 159.9 | 178.9 | -5.5 | 123.4 | | |
| 171 | G | 37.9 | Very low | 42.3 | Very low | 79 Ų | 79 | 138.6 Ų | 138.6 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | | | trans | 132.6 | 123 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 172 | G | 38.1 | Very low | 42.5 | Very low | 86 Ų | 86 | 143.9 Ų | 143.9 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | | | cis | 84.9 | 119.8 | 49.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 173 | E | 42.4 | Very low | 42.4 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | | | cis | -163.7 | 164.6 | 42.1 | -178.4 | 172.5 | 122.8 | 0 | 0 | 112.6 | R175 | E173-R175 IonicContact OE1-CZ 2.82Å; E173-R175 IonicContact OE1-NH1 3.7Å; E173-R175 PolarHBondContact OE1-NH1 3.08Å |
| 174 | K | 40.4 | Very low | 42.4 | Very low | 191 Ų | 191 | 143 Ų | 143 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | | | trans | -87.1 | 155.3 | 175.9 | -66.1 | 173.3 | 174.7 | 171.8 | 0 | 113.8 | | |
| 175 | R | 47.6 | Very low | 41.8 | Very low | 217 Ų | 217 | 142.9 Ų | 142.9 | 82% | 0.819 | 79% | 0.788 | S | S | * | * | | | trans | 179.7 | 134.8 | 138.5 | -97.6 | 142.3 | 168.7 | 158 | -8.2 | 109.9 | E173 | E173-R175 IonicContact OE1-CZ 2.82Å; E173-R175 IonicContact OE1-NH1 3.7Å; E173-R175 PolarHBondContact OE1-NH1 3.08Å |
| 176 | K | 42.7 | Very low | 41.6 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | cis | 109.9 | 144.8 | 14.7 | -166.3 | 174.9 | -175.5 | 178.1 | 0 | 113.4 | | |
| 177 | T | 47.7 | Very low | 41.8 | Very low | 141 Ų | 141 | 147.4 Ų | 147.4 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | | | trans | 83 | 145.8 | 177.8 | 77.1 | 0 | 0 | 0 | 0 | 115 | | |
| 178 | G | 43.5 | Very low | 42 | Very low | 77 Ų | 77 | 148.8 Ų | 148.8 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | cis | -175.9 | -167.6 | -3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 179 | S | 43.8 | Very low | 41.9 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | cis | -171 | 127.5 | -7.6 | -160.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 180 | R | 48.3 | Very low | 41.8 | Very low | 202 Ų | 202 | 146 Ų | 146 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | 67.1 | 131.9 | 141 | -76.5 | 177.4 | 170.3 | 178.6 | -0.1 | 124.8 | | |
| 181 | K | 43.7 | Very low | 42.2 | Very low | 137 Ų | 137 | 141 Ų | 141 | 60% | 0.596 | 78% | 0.777 | S | S | * | * | | | trans | 76.2 | 155.7 | 130.2 | -69.3 | -177.9 | 175.5 | 179.8 | 0 | 118.5 | | |
| 182 | R | 42.1 | Very low | 42.2 | Very low | 197 Ų | 197 | 142.6 Ų | 142.6 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | cis | -166.6 | 157 | -1.7 | -120.6 | 179.4 | -174.2 | 166.9 | -3.3 | 112.7 | | |
| 183 | V | 41.1 | Very low | 42 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | 75.7 | 135.2 | 139.2 | 166.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 184 | M | 39.3 | Very low | 42 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | trans | -76 | 157.4 | 173.4 | -45.4 | 82.2 | 163.6 | 0 | 0 | 113.7 | | |
| 185 | N | 36.4 | Very low | 42 | Very low | 133 Ų | 133 | 139 Ų | 139 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | | 165.8 | 146.2 | 105.7 | -95.4 | -40.7 | 0 | 0 | 0 | 115.4 | | |
| 186 | R | 39.6 | Very low | 41.2 | Very low | 228 Ų | 228 | 133.4 Ų | 133.4 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | 68.5 | 120.1 | 148.8 | -65.8 | 163.6 | -172.7 | -139.3 | -0.6 | 120.1 | | |
| 187 | S | 41.2 | Very low | 40.8 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | trans | -66.3 | 164.5 | 158.9 | -36.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 188 | P | 46.2 | Very low | 40.1 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | | -152.8 | 167.6 | 79.1 | 40.8 | -21.8 | 0 | 0 | 0 | 118.2 | | |
| 189 | S | 36.2 | Very low | 39.7 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | 48.7 | 126.1 | 144.6 | 62.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 190 | G | 41.4 | Very low | 39.7 | Very low | 61 Ų | 61 | 138.6 Ų | 138.6 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | | | trans | 149.9 | 95 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 191 | T | 46.3 | Very low | 39.1 | Very low | 140 Ų | 140 | 136 Ų | 136 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | | | | 49.8 | 127.7 | 82.4 | 68.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 192 | S | 37.9 | Very low | 39 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | cis | -167.6 | -178.9 | 10.3 | 58.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 193 | F | 33.4 | Very low | 38.7 | Very low | 204 Ų | 204 | 132.3 Ų | 132.3 | 90% | 0.895 | 74% | 0.741 | S | S | * | * | | | trans | 72.2 | 131.6 | 161.1 | -169.4 | -93.2 | 0 | 0 | 0 | 115.6 | | |
| 194 | A | 43.3 | Very low | 38.8 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 60% | 0.595 | 74% | 0.739 | S | S | * | * | | | cis | -155.1 | 168 | 6.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 195 | A | 40.2 | Very low | 39.1 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | | | cis | -157.2 | 157.2 | -11.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 196 | C | 31.1 | Very low | 39.8 | Very low | 101 Ų | 101 | 131 Ų | 131 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | | | trans | 34.1 | 109.3 | 145 | -88.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 197 | E | 34.4 | Very low | 40 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | | | | 90.6 | 113.7 | 84.3 | -84.2 | -177.7 | 166.9 | 0 | 0 | 112 | | |
| 198 | R | 33.1 | Very low | 39.8 | Very low | 225 Ų | 225 | 128.4 Ų | 128.4 | 85% | 0.849 | 71% | 0.707 | S | S | * | * | | | | 68.9 | 139.5 | 86.4 | -96.9 | -173 | 174.8 | -128.1 | -0.4 | 113.5 | | |
| 199 | S | 35.3 | Very low | 39.6 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | | | trans | 78.1 | 140.9 | 178.2 | -41 | 0 | 0 | 0 | 0 | 113 | | |
| 200 | T | 42.8 | Very low | 39.8 | Very low | 120 Ų | 120 | 132 Ų | 132 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | | | cis | -164.1 | 150 | -4.2 | 8.3 | 0 | 0 | 0 | 0 | 109 | | |
| 201 | L | 36.3 | Very low | 39.6 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | | | trans | 22.3 | 114.2 | 145.2 | -60.7 | 168.3 | 0 | 0 | 0 | 118.9 | | |
| 202 | Q | 42.4 | Very low | 39 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 60% | 0.598 | 71% | 0.707 | S | S | * | * | | | | 169.6 | 114.3 | 128.1 | -91.1 | 150.7 | 110.3 | 0 | 0 | 109 | | |
| 203 | R | 34.2 | Very low | 38.9 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 48% | 0.479 | 71% | 0.71 | S | S | . | * | | | | 59.4 | 82.8 | 94.1 | -63.3 | 177 | 91.8 | 179.9 | 0.2 | 113.2 | E755 K757 | R203-E755 HydrophobicContact CB-CG 4.34Å; R203-E755 WeakPolarHBondContact CB-OE1 3.47Å; R203-E755 WeakPolarHBondContact CG-OE1 3.41Å; R203-E755 IonicContact CZ-OE1 2.78Å; R203-E755 IonicContact NE-OE1 2.71Å; R203-E755 PolarHBondContact NE-OE1 3.14Å; R203-E755 IonicContact NH2-OE1 3.19Å; R203-E755 PolarHBondContact NH2-OE1 3.09Å; R203-E755 IonicContact NH2-OE2 3.87Å; R203-K757 VanDerWaalsContact CZ-CA 3.46Å; R203-K757 VanDerWaalsContact CZ-OXT 3.23Å; R203-K757 VanDerWaalsContact NH1-CA 3.29Å; R203-K757 PolarHBondContact NH1-O 3.21Å; R203-K757 PolarHBondContact NH2-O 3.37Å; R203-K757 PolarHBondContact NH2-OXT 2.9Å |
| 204 | L | 43.8 | Very low | 39.3 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 70% | 0.696 | 70% | 0.696 | S | S | * | * | | | trans | -177.5 | 62.9 | 165 | -112.7 | 124.4 | 0 | 0 | 0 | 106.4 | E755 | L204-E755 WeakPolarHBondContact CD1-O 3.49Å; L204-E755 WeakPolarHBondContact CG-O 3.5Å |
| 205 | K | 46.5 | Very low | 39 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 40% | 0.4 | 71% | 0.706 | S | S | . | * | | | | 74.9 | 121.6 | 70 | -121.7 | -107.6 | -128.6 | 93.1 | 0 | 107.4 | A753 E754 E755 | K205-A753 WeakPolarHBondContact CE-O 2.82Å; K205-A753 PolarHBondContact NZ-O 3.19Å; K205-E754 VanDerWaalsContact C-CD 3.45Å; K205-E754 WeakPolarHBondContact CA-OE1 3.19Å; K205-E754 HydrophobicContact CB-CB 3.68Å; K205-E754 HydrophobicContact CB-CG 4.25Å; K205-E754 WeakPolarHBondContact CB-OE1 3.08Å; K205-E754 HydrophobicContact CD-CB 3.85Å; K205-E754 HydrophobicContact CD-CG 3.78Å; K205-E754 WeakPolarHBondContact CD-OE1 3.38Å; K205-E754 HydrophobicContact CG-CB 4.28Å; K205-E754 HydrophobicContact CG-CG 4.49Å; K205-E754 WeakPolarHBondContact CG-OE1 3.25Å; K205-E755 HydrophobicContact CB-CB 3.57Å; K205-E755 HydrophobicContact CD-CB 3.78Å; K205-E755 WeakPolarHBondContact CE-OE2 3.45Å; K205-E755 HydrophobicContact CG-CB 3.47Å; K205-E755 VanDerWaalsContact CG-CB 3.47Å; K205-E755 HydrophobicContact CG-CG 4.33Å; K205-E755 IonicContact NZ-OE2 2.59Å; K205-E755 PolarHBondContact NZ-OE2 3.24Å |
| 206 | K | 50.2 | Low | 39 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 67% | 0.665 | 71% | 0.711 | S | S | * | * | | | trans | -62 | 157 | -154.7 | -37.3 | 154.7 | -169.7 | 155.3 | 0 | 118.6 | E752 E754 | K206-E752 WeakPolarHBondContact O-CG 3.45Å; K206-E754 WeakPolarHBondContact CB-OE2 3.33Å; K206-E754 WeakPolarHBondContact CD-OE2 3.36Å; K206-E754 PolarHBondContact N-OE1 3.02Å; K206-E754 WeakPolarHBondContact O-CG 3.34Å |
| 207 | P | 43 | Very low | 39.5 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | | | trans | -97.7 | 129.3 | 167.9 | 35.6 | -31.9 | 0 | 0 | 0 | 116.7 | R209 E752 | P207-R209 PolarHBondContact O-N 2.77Å; P207-E752 WeakPolarHBondContact CA-OE1 3.48Å; P207-E752 WeakPolarHBondContact CB-OE1 3.19Å |
| 208 | R | 36.8 | Very low | 39.9 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 68% | 0.679 | 72% | 0.724 | S | S | * | * | | | trans | -85.3 | 103.7 | 167.7 | -74 | 175.6 | 90.9 | 173.1 | -5.1 | 110.5 | S210 G751 | R208-S210 PolarHBondContact O-N 2.88Å; R208-S210 VanDerWaalsContact O-N 3.14Å; R208-G751 WeakPolarHBondContact CB-O 3.35Å; R208-G751 WeakPolarHBondContact CD-O 3.5Å; R208-G751 VanDerWaalsContact CG-O 3.23Å; R208-G751 WeakPolarHBondContact CG-O 3.44Å |
| 209 | R | 43.9 | Very low | 40.3 | Very low | 249 Ų | 249 | 140.8 Ų | 140.8 | 94% | 0.94 | 72% | 0.718 | S | S | * | * | | | trans | -71.3 | 107.2 | 174 | -127.8 | 178.1 | -159 | 170.2 | 7.3 | 111 | P207 | P207-R209 PolarHBondContact O-N 2.77Š|
| 210 | S | 39.5 | Very low | 40.6 | Very low | 58 Ų | 58 | 140 Ų | 140 | 41% | 0.406 | 72% | 0.717 | S | S | . | * | | | trans | -73.5 | 135.9 | 174.7 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | R208 R212 V749 | R208-S210 PolarHBondContact O-N 2.88Å; R208-S210 VanDerWaalsContact O-N 3.14Å; S210-R212 PolarHBondContact O-N 3.18Å; S210-V749 WeakPolarHBondContact OG-CG2 2.81Å |
| 211 | T | 37.7 | Very low | 41 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | | | trans | -67.4 | 107.9 | 171.9 | 45.3 | 0 | 0 | 0 | 0 | 111 | | |
| 212 | R | 32.5 | Very low | 41.4 | Very low | 228 Ų | 228 | 139.5 Ų | 139.5 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | | | trans | -135 | 84 | 161.2 | -176 | -173 | -85.8 | -161.7 | -3.9 | 107.3 | S210 | S210-R212 PolarHBondContact O-N 3.18Š|
| 213 | C | 37.3 | Very low | 41.4 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 118.1 | 174.3 | -74.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 214 | S | 41.1 | Very low | 42.2 | Very low | 86 Ų | 86 | 138.8 Ų | 138.8 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 140 | 172 | 50 | 0 | 0 | 0 | 0 | 111.3 | | |
| 215 | N | 36.1 | Very low | 42.1 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -52 | 150.9 | 159 | -54 | -10.6 | 0 | 0 | 0 | 109.2 | | |
| 216 | N | 42.1 | Very low | 41.8 | Very low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | | | trans | 71.9 | 64.8 | -167.9 | -61.7 | 8.6 | 0 | 0 | 0 | 115.6 | | |
| 217 | R | 39.9 | Very low | 41.5 | Very low | 215 Ų | 215 | 140.3 Ų | 140.3 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | -135.1 | 110.2 | 141.4 | -71.6 | -165.8 | 175.4 | -179.9 | -2.4 | 110.1 | S219 | R217-S219 PolarHBondContact O-N 3.07Å; R217-S219 VanDerWaalsContact O-N 3.12Å |
| 218 | V | 42.7 | Very low | 41.3 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | | | trans | -57.2 | 114.7 | 162.5 | 175.6 | 0 | 0 | 0 | 0 | 106.4 | A220 | V218-A220 PolarHBondContact O-N 3.17Š|
| 219 | S | 42.5 | Very low | 41.7 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | trans | -83.1 | 105.4 | 178 | -59.8 | 0 | 0 | 0 | 0 | 106.9 | R217 I221 | R217-S219 PolarHBondContact O-N 3.07Å; R217-S219 VanDerWaalsContact O-N 3.12Å; S219-I221 PolarHBondContact O-N 3.19Å; S219-I221 VanDerWaalsContact O-N 3.12Å |
| 220 | A | 41.3 | Very low | 42 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | -53.9 | 121.4 | 172 | 0 | 0 | 0 | 0 | 0 | 108.6 | V218 S222 | V218-A220 PolarHBondContact O-N 3.17Å; A220-S222 VanDerWaalsContact C-N 3.26Å; A220-S222 PolarHBondContact O-N 3.37Å |
| 221 | I | 50.9 | Low | 42.5 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | | | trans | -70.6 | 91.6 | 173.7 | -60.4 | 174.4 | 0 | 0 | 0 | 106.1 | S219 V223 | S219-I221 PolarHBondContact O-N 3.19Å; S219-I221 VanDerWaalsContact O-N 3.12Å; I221-V223 PolarHBondContact O-N 3.47Å; I221-V223 VanDerWaalsContact O-N 3.07Å |
| 222 | S | 44.1 | Very low | 43.6 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | trans | -62.9 | 111.5 | 168.1 | 58.3 | 0 | 0 | 0 | 0 | 107.4 | A220 P224 | A220-S222 VanDerWaalsContact C-N 3.26Å; A220-S222 PolarHBondContact O-N 3.37Å; S222-P224 WeakPolarHBondContact O-CD 3.48Å |
| 223 | V | 43.9 | Very low | 45.1 | Very low | 131 Ų | 131 | 124 Ų | 124 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | | | trans | -48.5 | 111.2 | 172.4 | -179.6 | 0 | 0 | 0 | 0 | 108 | I221 | I221-V223 PolarHBondContact O-N 3.47Å; I221-V223 VanDerWaalsContact O-N 3.07Å |
| 224 | P | 50.1 | Low | 46.8 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | | | trans | -72.5 | 134.6 | 168.7 | 31.3 | -29.3 | 0 | 0 | 0 | 106.7 | S222 | S222-P224 WeakPolarHBondContact O-CD 3.48Š|
| 225 | A | 41.9 | Very low | 48.5 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | | | trans | -52.6 | 153.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 226 | E | 39.4 | Very low | 50.7 | Low | 168 Ų | 168 | 124.4 Ų | 124.4 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -38.6 | 150.2 | 162.1 | 64.2 | -143.1 | 165 | 0 | 0 | 112.9 | | |
| 227 | N | 43.8 | Very low | 52.4 | Low | 159 Ų | 159 | 120.5 Ų | 120.5 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | | | trans | 83.4 | 71.3 | 179 | -40.1 | -41.8 | 0 | 0 | 0 | 115.5 | | |
| 228 | G | 40.6 | Very low | 54.4 | Low | 62 Ų | 62 | 115 Ų | 115 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | | | trans | -160.8 | 85.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C230 | G228-C230 PolarHBondContact O-N 2.81Š|
| 229 | Q | 44.1 | Very low | 56.4 | Low | 194 Ų | 194 | 111 Ų | 111 | 91% | 0.907 | 71% | 0.711 | S | S | * | * | | | trans | -67.1 | 73.7 | 161.6 | -92.9 | 80.3 | -7.1 | 0 | 0 | 110.7 | | |
| 230 | C | 49.8 | Very low | 58.5 | Low | 105 Ų | 105 | 113 Ų | 113 | 71% | 0.709 | 72% | 0.719 | S | S | * | * | | | trans | -165.1 | 130.5 | 166.3 | -113.4 | 0 | 0 | 0 | 0 | 107.8 | G228 | G228-C230 PolarHBondContact O-N 2.81Š|
| 231 | N | 50.8 | Low | 60.9 | Low | 111 Ų | 111 | 111.9 Ų | 111.9 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | | | cis | -151.1 | 138.7 | 1.4 | 25.9 | -89.4 | 0 | 0 | 0 | 106.4 | S233 R261 | N231-S233 PolarHBondContact O-N 3.49Å; N231-S233 VanDerWaalsContact O-N 3.12Å; N231-R261 PolarHBondContact O-NH2 3.24Å; N231-R261 VanDerWaalsContact O-NH2 3.08Å |
| 232 | A | 59.9 | Low | 62.7 | Low | 102 Ų | 102 | 113 Ų | 113 | 84% | 0.843 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 121.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | E234 | A232-E234 PolarHBondContact O-N 3.2Š|
| 233 | S | 65.5 | Low | 64.9 | Low | 43 Ų | 43 | 109.8 Ų | 109.8 | 30% | 0.301 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 131.3 | 178.1 | -61.3 | 0 | 0 | 0 | 0 | 108.2 | N231 R261 | N231-S233 PolarHBondContact O-N 3.49Å; N231-S233 VanDerWaalsContact O-N 3.12Å; S233-R261 PolarHBondContact OG-NH1 3.09Å |
| 234 | E | 71.8 | Confident | 67.1 | Low | 155 Ų | 155 | 107.9 Ų | 107.9 | 72% | 0.724 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 130.3 | -178.5 | -170.7 | 174.2 | 179.9 | 0 | 0 | 109.5 | A232 G236 T237 | A232-E234 PolarHBondContact O-N 3.2Å; E234-G236 PolarHBondContact O-N 3.22Å; E234-T237 WeakPolarHBondContact O-CB 3.48Å; E234-T237 PolarHBondContact O-N 2.84Å; E234-T237 PolarHBondContact O-OG1 3.17Å |
| 235 | P | 77.4 | Confident | 69.1 | Low | 130 Ų | 130 | 106.7 Ų | 106.7 | 84% | 0.844 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | 124.1 | 178.6 | -26.9 | 35.2 | 0 | 0 | 0 | 110.8 | | |
| 236 | G | 81.7 | Confident | 71.5 | Confident | 85 Ų | 85 | 106.7 Ų | 106.7 | 88% | 0.876 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.3 | -7.2 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | E234 A238 | E234-G236 PolarHBondContact O-N 3.22Å; G236-A238 PolarHBondContact O-N 3.44Å |
| 237 | T | 79.1 | Confident | 73.9 | Confident | 77 Ų | 77 | 102 Ų | 102 | 47% | 0.472 | 62% | 0.62 | S | S | . | * | | | trans | -63.4 | 115.8 | 166.5 | -54.7 | 0 | 0 | 0 | 0 | 109.5 | E234 V239 | E234-T237 WeakPolarHBondContact O-CB 3.48Å; E234-T237 PolarHBondContact O-N 2.84Å; E234-T237 PolarHBondContact O-OG1 3.17Å; T237-V239 PolarHBondContact O-N 3.28Å |
| 238 | A | 81.9 | Confident | 76.1 | Confident | 100 Ų | 100 | 101.1 Ų | 101.1 | 83% | 0.826 | 61% | 0.61 | S | S | * | * | | | trans | -67.4 | 120.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | G236 | G236-A238 PolarHBondContact O-N 3.44Š|
| 239 | V | 83.9 | Confident | 78.3 | Confident | 64 Ų | 64 | 99.9 Ų | 99.9 | 39% | 0.388 | 59% | 0.59 | S | S | . | * | | | trans | -114.2 | 125.4 | 176.7 | -168.9 | 0 | 0 | 0 | 0 | 108.6 | T237 L241 W260 | T237-V239 PolarHBondContact O-N 3.28Å; V239-L241 HydrophobicContact CB-CG 4.36Å; V239-L241 HydrophobicContact CG1-CD1 4.45Å; V239-L241 HydrophobicContact CG1-CD2 3.54Å; V239-L241 HydrophobicContact CG1-CG 3.83Å; V239-W260 HydrophobicContact CG2-CZ2 4.16Å |
| 240 | V | 87.6 | Confident | 80.3 | Confident | 145 Ų | 145 | 96.2 Ų | 96.2 | 88% | 0.879 | 59% | 0.587 | S | S | * | * | | | trans | -84.5 | 120 | 169.4 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 241 | L | 89.8 | Confident | 81.8 | Confident | 68 Ų | 68 | 96.2 Ų | 96.2 | 36% | 0.356 | 58% | 0.579 | S | S | . | * | | | trans | -122.5 | 138.6 | -179 | -61.4 | 173.4 | 0 | 0 | 0 | 109.5 | V239 V258 W260 | V239-L241 HydrophobicContact CB-CG 4.36Å; V239-L241 HydrophobicContact CG1-CD1 4.45Å; V239-L241 HydrophobicContact CG1-CD2 3.54Å; V239-L241 HydrophobicContact CG1-CG 3.83Å; L241-V258 HydrophobicContact CB-CG1 3.47Å; L241-V258 VanDerWaalsContact CB-CG1 3.47Å; L241-V258 HydrophobicContact CD1-CG1 3.57Å; L241-V258 HydrophobicContact CG-CG1 4.09Å; L241-W260 HydrophobicContact CD1-CB 4.08Å; L241-W260 HydrophobicContact CD1-CG 4.14Å; L241-W260 HydrophobicContact CD2-CB 4.02Å; L241-W260 HydrophobicContact CD2-CG 3.79Å |
| 242 | E | 89.1 | Confident | 83.4 | Confident | 179 Ų | 179 | 91.9 Ų | 91.9 | 84% | 0.836 | 56% | 0.561 | S | S | * | * | | | trans | -80.5 | 138.4 | 168.3 | -168.9 | 170.4 | 177.7 | 0 | 0 | 108.8 | | |
| 243 | G | 90.3 | Very high | 84.7 | Confident | 35 Ų | 35 | 89 Ų | 89 | 36% | 0.361 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 138.1 | -179 | 0 | 0 | 0 | 0 | 0 | 110.6 | N257 | G243-N257 CarbonylContact C-O 3.59Å; G243-N257 VanDerWaalsContact CA-O 3.25Å; G243-N257 WeakPolarHBondContact CA-O 2.96Å |
| 244 | V | 90.9 | Very high | 85.9 | Confident | 90 Ų | 90 | 89.4 Ų | 89.4 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 120.6 | 175.2 | -172.2 | 0 | 0 | 0 | 0 | 108.2 | W246 V256 N257 | V244-W246 PolarHBondContact O-N 3Å; V244-V256 WeakPolarHBondContact O-CA 2.88Å; V244-N257 PolarHBondContact N-O 3.26Å; V244-N257 PolarHBondContact O-N 2.86Å |
| 245 | L | 92.3 | Very high | 86.8 | Confident | 84 Ų | 84 | 83.3 Ų | 83.3 | 44% | 0.44 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 123.3 | 170.2 | -179.3 | 65.3 | 0 | 0 | 0 | 109.2 | E248 L254 V256 | L245-E248 HydrophobicContact CD2-CB 4.43Å; L245-L254 HydrophobicContact CD1-CB 3.7Å; L245-L254 HydrophobicContact CD1-CD2 3.75Å; L245-L254 HydrophobicContact CD1-CG 4.23Å; L245-L254 HydrophobicContact CD2-CD2 4.17Å; L245-V256 HydrophobicContact CD1-CG2 4.09Å |
| 246 | W | 91.7 | Very high | 87.6 | Confident | 84 Ų | 84 | 77.7 Ų | 77.7 | 32% | 0.318 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -39.7 | -177.3 | -76.4 | 11.7 | 0 | 0 | 0 | 113.1 | V244 V255 N257 V266 L469 V473 | V244-W246 PolarHBondContact O-N 3Å; W246-V255 HydrophobicContact CB-CB 4.49Å; W246-V255 HydrophobicContact CB-CG1 4.31Å; W246-V255 PolarHBondContact N-O 3.36Å; W246-N257 HydrophobicContact CD2-CB 4.01Å; W246-N257 HydrophobicContact CG-CB 4.47Å; W246-N257 HydrophobicContact CH2-CB 4.14Å; W246-N257 HydrophobicContact CZ2-CB 3.46Å; W246-N257 VanDerWaalsContact CZ2-CB 3.46Å; W246-N257 WeakPolarHBondContact CZ2-ND2 2.68Å; W246-V266 HydrophobicContact CE3-CG1 4.42Å; W246-V266 HydrophobicContact CE3-CG2 4.42Å; W246-V266 HydrophobicContact CH2-CG2 3.79Å; W246-V266 HydrophobicContact CZ3-CG1 4.38Å; W246-V266 HydrophobicContact CZ3-CG2 3.73Å; W246-L469 HydrophobicContact CE3-CD2 3.82Å; W246-L469 HydrophobicContact CZ3-CD2 4.07Å; W246-L469 HydrophobicContact CZ3-CG 4.28Å; W246-V473 HydrophobicContact CH2-CB 4.45Å; W246-V473 HydrophobicContact CH2-CG1 4.22Å; W246-V473 HydrophobicContact CH2-CG2 3.46Å; W246-V473 VanDerWaalsContact CH2-CG2 3.46Å; W246-V473 HydrophobicContact CZ2-CG2 4.4Å; W246-V473 HydrophobicContact CZ3-CG2 4.02Å |
| 247 | K | 89.8 | Confident | 88.2 | Confident | 71 Ų | 71 | 74.4 Ų | 74.4 | 31% | 0.309 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 125.9 | 174.9 | -173.6 | 172.3 | -176.7 | 175 | 0 | 109.4 | V255 E462 | K247-V255 HydrophobicContact CB-CB 4.19Å; K247-V255 HydrophobicContact CB-CG2 4.1Å; K247-V255 PolarHBondContact O-N 3.32Å; K247-E462 IonicContact NZ-OE1 2.76Å; K247-E462 PolarHBondContact NZ-OE1 3.23Å |
| 248 | E | 90.7 | Very high | 88.8 | Confident | 139 Ų | 139 | 71 Ų | 71 | 65% | 0.65 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127.1 | 159.4 | 178.9 | 166.6 | -158.8 | 0 | 0 | 107.4 | L245 L254 | L245-E248 HydrophobicContact CD2-CB 4.43Å; E248-L254 HydrophobicContact CB-CD2 3.84Å; E248-L254 HydrophobicContact CG-CD2 3.68Å |
| 249 | T | 85.4 | Confident | 89.3 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 22% | 0.221 | 39% | 0.393 | C | S | . | . | | | trans | -97.7 | 143.7 | 178.4 | -50.4 | 0 | 0 | 0 | 0 | 108.5 | D251 G252 I253 | T249-D251 HydrophobicContact CG2-CB 4.38Å; T249-D251 PolarHBondContact O-N 3.28Å; T249-G252 PolarHBondContact O-N 3.3Å; T249-I253 PolarHBondContact N-O 3.12Å; T249-I253 PolarHBondContact OG1-O 2.88Å |
| 250 | S | 86.4 | Confident | 89.7 | Confident | 118 Ų | 118 | 71.2 Ų | 71.2 | 83% | 0.825 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | -29.8 | 177.3 | 48.8 | 0 | 0 | 0 | 0 | 114.3 | G252 | S250-G252 VanDerWaalsContact C-N 3.32Š|
| 251 | D | 82.1 | Confident | 89.8 | Confident | 104 Ų | 104 | 71.2 Ų | 71.2 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.7 | -174.5 | -57 | 0 | 0 | 0 | 0 | 112.2 | T249 Y275 | T249-D251 HydrophobicContact CG2-CB 4.38Å; T249-D251 PolarHBondContact O-N 3.28Å; D251-Y275 VanDerWaalsContact O-CZ 3.27Å; D251-Y275 PolarHBondContact O-OH 2.99Å |
| 252 | G | 84.7 | Confident | 89.8 | Confident | 21 Ų | 21 | 72 Ų | 72 | 22% | 0.216 | 40% | 0.399 | C | S | . | . | S | Bend | trans | 105.6 | 10.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | T249 S250 Y275 | T249-G252 PolarHBondContact O-N 3.3Å; S250-G252 VanDerWaalsContact C-N 3.32Å; G252-Y275 VanDerWaalsContact CA-OH 3.25Å; G252-Y275 WeakPolarHBondContact CA-OH 3.38Å; G252-Y275 PolarHBondContact N-OH 3.31Å |
| 253 | I | 86.8 | Confident | 89.8 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 124.6 | 177.2 | -48.5 | -172.8 | 0 | 0 | 0 | 109.8 | T249 T268 L270 Y275 | T249-I253 PolarHBondContact N-O 3.12Å; T249-I253 PolarHBondContact OG1-O 2.88Å; I253-T268 HydrophobicContact CG2-CG2 4.02Å; I253-L270 HydrophobicContact CB-CD2 4.22Å; I253-L270 HydrophobicContact CD1-CD2 4.16Å; I253-L270 HydrophobicContact CG1-CD2 3.76Å; I253-L270 HydrophobicContact CG2-CD2 3.91Å; I253-Y275 HydrophobicContact CG1-CE2 4.28Å; I253-Y275 WeakPolarHBondContact CG1-OH 3.06Å; I253-Y275 PolarHBondContact N-OH 2.93Å |
| 254 | L | 91.6 | Very high | 89.8 | Confident | 51 Ų | 51 | 69.8 Ų | 69.8 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 113.3 | 177.3 | -61.1 | 177.9 | 0 | 0 | 0 | 110 | L245 E248 V256 T268 L269 | L245-L254 HydrophobicContact CD1-CB 3.7Å; L245-L254 HydrophobicContact CD1-CD2 3.75Å; L245-L254 HydrophobicContact CD1-CG 4.23Å; L245-L254 HydrophobicContact CD2-CD2 4.17Å; E248-L254 HydrophobicContact CB-CD2 3.84Å; E248-L254 HydrophobicContact CG-CD2 3.68Å; L254-V256 HydrophobicContact CB-CG2 4.36Å; L254-T268 CarbonylContact O-C 3.5Å; L254-T268 WeakPolarHBondContact O-CA 2.91Å; L254-L269 HydrophobicContact CB-CB 4.04Å; L254-L269 PolarHBondContact N-O 3.41Å; L254-L269 PolarHBondContact O-N 2.86Å |
| 255 | V | 90.8 | Very high | 89.8 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 16% | 0.158 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 115.4 | 172.1 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | W246 K247 V266 T268 | W246-V255 HydrophobicContact CB-CB 4.49Å; W246-V255 HydrophobicContact CB-CG1 4.31Å; W246-V255 PolarHBondContact N-O 3.36Å; K247-V255 HydrophobicContact CB-CB 4.19Å; K247-V255 HydrophobicContact CB-CG2 4.1Å; K247-V255 PolarHBondContact O-N 3.32Å; V255-V266 HydrophobicContact CG1-CG1 3.9Å; V255-T268 HydrophobicContact CG2-CG2 4.33Å |
| 256 | V | 93.6 | Very high | 89.8 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.8 | -174.9 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | V244 L245 L254 V258 V266 G267 L269 M565 | V244-V256 WeakPolarHBondContact O-CA 2.88Å; L245-V256 HydrophobicContact CD1-CG2 4.09Å; L254-V256 HydrophobicContact CB-CG2 4.36Å; V256-V258 HydrophobicContact CG1-CG2 3.93Å; V256-V266 WeakPolarHBondContact O-CA 2.97Å; V256-G267 PolarHBondContact N-O 3.45Å; V256-G267 PolarHBondContact O-N 3.33Å; V256-L269 HydrophobicContact CG2-CD1 3.9Å; V256-L269 HydrophobicContact CG2-CG 4.19Å; V256-M565 HydrophobicContact CB-CE 4.34Å; V256-M565 HydrophobicContact CG1-CE 4.21Å |
| 257 | N | 93.1 | Very high | 89.8 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 9% | 0.086 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121.3 | 166.9 | 179.4 | 35.2 | 0 | 0 | 0 | 110.3 | G243 V244 W246 S264 Y265 V266 | G243-N257 CarbonylContact C-O 3.59Å; G243-N257 VanDerWaalsContact CA-O 3.25Å; G243-N257 WeakPolarHBondContact CA-O 2.96Å; V244-N257 PolarHBondContact N-O 3.26Å; V244-N257 PolarHBondContact O-N 2.86Å; W246-N257 HydrophobicContact CD2-CB 4.01Å; W246-N257 HydrophobicContact CG-CB 4.47Å; W246-N257 HydrophobicContact CH2-CB 4.14Å; W246-N257 HydrophobicContact CZ2-CB 3.46Å; W246-N257 VanDerWaalsContact CZ2-CB 3.46Å; W246-N257 WeakPolarHBondContact CZ2-ND2 2.68Å; N257-S264 WeakPolarHBondContact OD1-CB 3.07Å; N257-Y265 PolarHBondContact OD1-N 3.18Å; N257-V266 HydrophobicContact CB-CG2 4.19Å |
| 258 | V | 93.2 | Very high | 89.8 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.3 | -180 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | L241 V256 Y265 M565 | L241-V258 HydrophobicContact CB-CG1 3.47Å; L241-V258 VanDerWaalsContact CB-CG1 3.47Å; L241-V258 HydrophobicContact CD1-CG1 3.57Å; L241-V258 HydrophobicContact CG-CG1 4.09Å; V256-V258 HydrophobicContact CG1-CG2 3.93Å; V258-Y265 PolarHBondContact N-O 2.82Å; V258-Y265 PolarHBondContact O-N 2.85Å; V258-M565 HydrophobicContact CG2-CE 3.7Å; V258-M565 HydrophobicContact CG2-SD 4.03Å |
| 259 | T | 92 | Very high | 89.8 | Confident | 86 Ų | 86 | 54.4 Ų | 54.4 | 53% | 0.528 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 121.4 | 177.5 | 54.2 | 0 | 0 | 0 | 0 | 110.7 | K263 | T259-K263 WeakPolarHBondContact CA-O 3.11Å |
| 260 | W | 91.3 | Very high | 89.8 | Confident | 82 Ų | 82 | 53.4 Ų | 53.4 | 31% | 0.311 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 124.9 | 178.4 | -172.8 | 51.7 | 0 | 0 | 0 | 111.7 | V239 L241 G262 K263 Y265 | V239-W260 HydrophobicContact CG2-CZ2 4.16Å; L241-W260 HydrophobicContact CD1-CB 4.08Å; L241-W260 HydrophobicContact CD1-CG 4.14Å; L241-W260 HydrophobicContact CD2-CB 4.02Å; L241-W260 HydrophobicContact CD2-CG 3.79Å; W260-G262 VanDerWaalsContact C-N 3.29Å; W260-G262 PolarHBondContact O-N 2.73Å; W260-K263 PolarHBondContact N-O 3.43Å; W260-K263 PolarHBondContact O-N 2.97Å; W260-Y265 HydrophobicContact CB-CD2 4.49Å; W260-Y265 HydrophobicContact CB-CE2 4.21Å; W260-Y265 HydrophobicContact CE3-CE2 4.48Å |
| 261 | R | 89.5 | Confident | 89.4 | Confident | 145 Ų | 145 | 50.1 Ų | 50.1 | 55% | 0.547 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 46 | 179.3 | -69.1 | 178.4 | 157.2 | 142.2 | -11.6 | 113.4 | N231 S233 K263 | N231-R261 PolarHBondContact O-NH2 3.24Å; N231-R261 VanDerWaalsContact O-NH2 3.08Å; S233-R261 PolarHBondContact OG-NH1 3.09Å; R261-K263 PolarHBondContact O-N 3.4Å |
| 262 | G | 89.6 | Confident | 88.8 | Confident | 85 Ų | 85 | 47.3 Ų | 47.3 | 88% | 0.876 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 2.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | W260 | W260-G262 VanDerWaalsContact C-N 3.29Å; W260-G262 PolarHBondContact O-N 2.73Å |
| 263 | K | 89.6 | Confident | 88.1 | Confident | 125 Ų | 125 | 51 Ų | 51 | 54% | 0.543 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135.4 | 173.6 | -65 | -177.2 | 176 | -171.9 | 0 | 110.1 | T259 W260 R261 Y265 | T259-K263 WeakPolarHBondContact CA-O 3.11Å; W260-K263 PolarHBondContact N-O 3.43Å; W260-K263 PolarHBondContact O-N 2.97Å; R261-K263 PolarHBondContact O-N 3.4Å; K263-Y265 HydrophobicContact CB-CD2 4.31Å; K263-Y265 HydrophobicContact CB-CE2 3.55Å; K263-Y265 WeakPolarHBondContact CD-OH 3.23Å |
| 264 | S | 90.1 | Very high | 87.2 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127.2 | 174 | -59.5 | 0 | 0 | 0 | 0 | 109.3 | N257 | N257-S264 WeakPolarHBondContact OD1-CB 3.07Å |
| 265 | Y | 91.5 | Very high | 86.1 | Confident | 44 Ų | 44 | 54 Ų | 54 | 17% | 0.173 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 107.4 | -178 | -61.8 | -87.2 | 0 | 0 | 0 | 109.6 | N257 V258 W260 K263 F567 H569 | N257-Y265 PolarHBondContact OD1-N 3.18Å; V258-Y265 PolarHBondContact N-O 2.82Å; V258-Y265 PolarHBondContact O-N 2.85Å; W260-Y265 HydrophobicContact CB-CD2 4.49Å; W260-Y265 HydrophobicContact CB-CE2 4.21Å; W260-Y265 HydrophobicContact CE3-CE2 4.48Å; K263-Y265 HydrophobicContact CB-CD2 4.31Å; K263-Y265 HydrophobicContact CB-CE2 3.55Å; K263-Y265 WeakPolarHBondContact CD-OH 3.23Å; Y265-F567 VanDerWaalsContact CB-CE1 3.48Å; Y265-F567 HydrophobicContact CD1-CD1 4.45Å; Y265-F567 HydrophobicContact CG-CD1 4.35Å; Y265-F567 HydrophobicContact CG-CE1 4.34Å; Y265-H569 AromaticContact CE1-CE1 3.84Å; Y265-H569 AromaticContact CE1-NE2 3.57Å |
| 266 | V | 91.6 | Very high | 84.6 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 16% | 0.164 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.2 | 172.9 | -173 | 0 | 0 | 0 | 0 | 108.7 | W246 V255 V256 N257 F470 | W246-V266 HydrophobicContact CE3-CG1 4.42Å; W246-V266 HydrophobicContact CE3-CG2 4.42Å; W246-V266 HydrophobicContact CH2-CG2 3.79Å; W246-V266 HydrophobicContact CZ3-CG1 4.38Å; W246-V266 HydrophobicContact CZ3-CG2 3.73Å; V255-V266 HydrophobicContact CG1-CG1 3.9Å; V256-V266 WeakPolarHBondContact O-CA 2.97Å; N257-V266 HydrophobicContact CB-CG2 4.19Å; V266-F470 HydrophobicContact CG1-CE1 4.2Å |
| 267 | G | 91.8 | Very high | 83.3 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 5% | 0.052 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 163.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V256 N566 | V256-G267 PolarHBondContact N-O 3.45Å; V256-G267 PolarHBondContact O-N 3.33Å; G267-N566 VanDerWaalsContact CA-O 3.28Å; G267-N566 WeakPolarHBondContact CA-O 3.26Å |
| 268 | T | 90.5 | Very high | 81.6 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 136.4 | 173 | 50.6 | 0 | 0 | 0 | 0 | 110.7 | I253 L254 V255 | I253-T268 HydrophobicContact CG2-CG2 4.02Å; L254-T268 CarbonylContact O-C 3.5Å; L254-T268 WeakPolarHBondContact O-CA 2.91Å; V255-T268 HydrophobicContact CG2-CG2 4.33Å |
| 269 | L | 90.1 | Very high | 79.9 | Confident | 23 Ų | 23 | 73.3 Ų | 73.3 | 12% | 0.12 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 137.5 | 165 | -73.9 | -175.9 | 0 | 0 | 0 | 109.1 | L254 V256 L563 M565 | L254-L269 HydrophobicContact CB-CB 4.04Å; L254-L269 PolarHBondContact N-O 3.41Å; L254-L269 PolarHBondContact O-N 2.86Å; V256-L269 HydrophobicContact CG2-CD1 3.9Å; V256-L269 HydrophobicContact CG2-CG 4.19Å; L269-L563 HydrophobicContact CB-CD2 4.5Å; L269-L563 HydrophobicContact CD1-CD1 4.44Å; L269-L563 HydrophobicContact CD2-CB 3.99Å; L269-M565 HydrophobicContact CD1-CE 3.84Å; L269-M565 HydrophobicContact CD2-CB 4.4Å; L269-M565 HydrophobicContact CD2-CE 3.86Å; L269-M565 HydrophobicContact CD2-CG 3.32Å; L269-M565 HydrophobicContact CD2-SD 4.46Å; L269-M565 HydrophobicContact CG-CE 3.84Å; L269-M565 HydrophobicContact CG-CG 4.12Å |
| 270 | L | 85.7 | Confident | 78.6 | Confident | 16 Ų | 16 | 75.2 Ų | 75.2 | 8% | 0.084 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130 | -174.7 | -65.4 | 170.2 | 0 | 0 | 0 | 109.3 | I253 L272 Y275 W277 | I253-L270 HydrophobicContact CB-CD2 4.22Å; I253-L270 HydrophobicContact CD1-CD2 4.16Å; I253-L270 HydrophobicContact CG1-CD2 3.76Å; I253-L270 HydrophobicContact CG2-CD2 3.91Å; L270-L272 PolarHBondContact O-N 2.82Å; L270-L272 VanDerWaalsContact O-N 3.15Å; L270-Y275 HydrophobicContact CB-CD2 3.72Å; L270-Y275 HydrophobicContact CB-CE2 4.14Å; L270-Y275 HydrophobicContact CD2-CD2 3.86Å; L270-Y275 HydrophobicContact CD2-CE2 3.66Å; L270-Y275 HydrophobicContact CG-CD2 4.36Å; L270-W277 HydrophobicContact CD1-CE3 4.49Å; L270-W277 HydrophobicContact CD1-CH2 3.34Å; L270-W277 HydrophobicContact CD1-CZ2 3.56Å; L270-W277 HydrophobicContact CD1-CZ3 3.84Å; L270-W277 HydrophobicContact CD2-CH2 3.97Å; L270-W277 HydrophobicContact CD2-CZ2 3.59Å; L270-W277 HydrophobicContact CG-CH2 4.3Å; L270-W277 HydrophobicContact CG-CZ2 4.23Å |
| 271 | D | 78 | Confident | 77.2 | Confident | 49 Ų | 49 | 77.7 Ų | 77.7 | 26% | 0.262 | 41% | 0.414 | S | S | . | . | | | trans | -69.6 | 105.4 | 170.3 | -178 | -2 | 0 | 0 | 0 | 110.8 | T273 Q274 Y275 | D271-T273 PolarHBondContact O-N 3.06Å; D271-T273 WeakPolarHBondContact OD1-CB 3.46Å; D271-T273 PolarHBondContact OD1-N 3.18Å; D271-T273 PolarHBondContact OD1-OG1 2.85Å; D271-T273 PolarHBondContact OD2-OG1 3.38Å; D271-T273 VanDerWaalsContact OD2-OG1 3.06Å; D271-Q274 PolarHBondContact O-N 3.12Å; D271-Q274 VanDerWaalsContact O-N 3.08Å; D271-Q274 PolarHBondContact OD2-NE2 3.29Å; D271-Y275 WeakPolarHBondContact O-CD2 3.37Å; D271-Y275 PolarHBondContact O-N 2.9Å |
| 272 | L | 70 | Confident | 75.2 | Confident | 44 Ų | 44 | 80.5 Ų | 80.5 | 23% | 0.23 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -22.6 | 178.1 | -61.4 | 179 | 0 | 0 | 0 | 114 | L270 Q274 S278 G562 | L270-L272 PolarHBondContact O-N 2.82Å; L270-L272 VanDerWaalsContact O-N 3.15Å; L272-Q274 VanDerWaalsContact C-N 3.32Å; L272-S278 VanDerWaalsContact CD2-OG 3.28Å; L272-S278 WeakPolarHBondContact CD2-OG 2.94Å; L272-G562 WeakPolarHBondContact CD1-O 3.19Å; L272-G562 WeakPolarHBondContact CG-O 3.35Å |
| 273 | T | 70.4 | Confident | 73.3 | Confident | 98 Ų | 98 | 81.2 Ų | 81.2 | 60% | 0.601 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -21 | -179.1 | 70.9 | 0 | 0 | 0 | 0 | 112.7 | D271 | D271-T273 PolarHBondContact O-N 3.06Å; D271-T273 WeakPolarHBondContact OD1-CB 3.46Å; D271-T273 PolarHBondContact OD1-N 3.18Å; D271-T273 PolarHBondContact OD1-OG1 2.85Å; D271-T273 PolarHBondContact OD2-OG1 3.38Å; D271-T273 VanDerWaalsContact OD2-OG1 3.06Å |
| 274 | Q | 67.5 | Low | 71.2 | Confident | 131 Ų | 131 | 83.6 Ų | 83.6 | 61% | 0.612 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -21.4 | -179.7 | -60.6 | -174.9 | 63.5 | 0 | 0 | 112.3 | D271 L272 | D271-Q274 PolarHBondContact O-N 3.12Å; D271-Q274 VanDerWaalsContact O-N 3.08Å; D271-Q274 PolarHBondContact OD2-NE2 3.29Å; L272-Q274 VanDerWaalsContact C-N 3.32Å |
| 275 | Y | 68 | Low | 68.8 | Low | 25 Ų | 25 | 86 Ų | 86 | 10% | 0.098 | 46% | 0.455 | C | S | . | . | | | trans | -106.7 | 93.8 | -174.3 | -66.1 | -52.8 | 0 | 0 | 0 | 115.2 | D251 G252 I253 L270 D271 W277 S278 | D251-Y275 VanDerWaalsContact O-CZ 3.27Å; D251-Y275 PolarHBondContact O-OH 2.99Å; G252-Y275 VanDerWaalsContact CA-OH 3.25Å; G252-Y275 WeakPolarHBondContact CA-OH 3.38Å; G252-Y275 PolarHBondContact N-OH 3.31Å; I253-Y275 HydrophobicContact CG1-CE2 4.28Å; I253-Y275 WeakPolarHBondContact CG1-OH 3.06Å; I253-Y275 PolarHBondContact N-OH 2.93Å; L270-Y275 HydrophobicContact CB-CD2 3.72Å; L270-Y275 HydrophobicContact CB-CE2 4.14Å; L270-Y275 HydrophobicContact CD2-CD2 3.86Å; L270-Y275 HydrophobicContact CD2-CE2 3.66Å; L270-Y275 HydrophobicContact CG-CD2 4.36Å; D271-Y275 WeakPolarHBondContact O-CD2 3.37Å; D271-Y275 PolarHBondContact O-N 2.9Å; Y275-W277 AromaticContact CD1-CD1 3.86Å; Y275-W277 AromaticContact CD1-NE1 3.13Å; Y275-W277 AromaticContact CE1-NE1 3.92Å; Y275-W277 AromaticContact CG-NE1 3.47Å; Y275-W277 PolarHBondContact O-N 3.44Å; Y275-S278 PolarHBondContact O-N 3.35Å; Y275-S278 PolarHBondContact O-OG 3.49Å |
| 276 | N | 59.7 | Low | 66.7 | Low | 167 Ų | 167 | 88.4 Ų | 88.4 | 89% | 0.893 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -0.8 | 177.3 | -135.7 | 4.2 | 0 | 0 | 0 | 114.8 | | |
| 277 | W | 65.4 | Low | 64.4 | Low | 155 Ų | 155 | 93.8 Ų | 93.8 | 59% | 0.587 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 6.3 | 176 | 57.9 | -79.7 | 0 | 0 | 0 | 113.5 | L270 Y275 | L270-W277 HydrophobicContact CD1-CE3 4.49Å; L270-W277 HydrophobicContact CD1-CH2 3.34Å; L270-W277 HydrophobicContact CD1-CZ2 3.56Å; L270-W277 HydrophobicContact CD1-CZ3 3.84Å; L270-W277 HydrophobicContact CD2-CH2 3.97Å; L270-W277 HydrophobicContact CD2-CZ2 3.59Å; L270-W277 HydrophobicContact CG-CH2 4.3Å; L270-W277 HydrophobicContact CG-CZ2 4.23Å; Y275-W277 AromaticContact CD1-CD1 3.86Å; Y275-W277 AromaticContact CD1-NE1 3.13Å; Y275-W277 AromaticContact CE1-NE1 3.92Å; Y275-W277 AromaticContact CG-NE1 3.47Å; Y275-W277 PolarHBondContact O-N 3.44Å |
| 278 | S | 58.1 | Low | 62.3 | Low | 36 Ų | 36 | 99 Ų | 99 | 25% | 0.252 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -57.8 | 126.1 | 167.5 | -61 | 0 | 0 | 0 | 0 | 110.1 | L272 Y275 | L272-S278 VanDerWaalsContact CD2-OG 3.28Å; L272-S278 WeakPolarHBondContact CD2-OG 2.94Å; Y275-S278 PolarHBondContact O-N 3.35Å; Y275-S278 PolarHBondContact O-OG 3.49Å |
| 279 | P | 58.7 | Low | 60.2 | Low | 109 Ų | 109 | 105 Ų | 105 | 71% | 0.708 | 56% | 0.564 | S | S | * | * | | | trans | -52 | 136.7 | 179.2 | -29.2 | 35.6 | 0 | 0 | 0 | 111.9 | R281 | P279-R281 PolarHBondContact O-N 2.85Š|
| 280 | P | 64.3 | Low | 58.3 | Low | 126 Ų | 126 | 113.3 Ų | 113.3 | 82% | 0.818 | 60% | 0.602 | S | S | * | * | | | trans | -51.4 | 115.1 | -175.9 | -29.6 | 35.5 | 0 | 0 | 0 | 111.5 | Q282 | P280-Q282 PolarHBondContact O-N 2.9Š|
| 281 | R | 60.9 | Low | 56 | Low | 133 Ų | 133 | 120.2 Ų | 120.2 | 50% | 0.502 | 64% | 0.639 | S | S | . | * | | | trans | -65.3 | 120.5 | -178.2 | -66.8 | 179.7 | 173.4 | -78 | -20.7 | 108 | P279 S283 E284 | P279-R281 PolarHBondContact O-N 2.85Å; R281-S283 PolarHBondContact O-N 2.85Å; R281-E284 PolarHBondContact O-N 2.92Å; R281-E284 VanDerWaalsContact O-N 3.09Å |
| 282 | Q | 48.4 | Very low | 54.3 | Low | 205 Ų | 205 | 121.2 Ų | 121.2 | 96% | 0.958 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 18.2 | 173.1 | -65.1 | -174.9 | -20 | 0 | 0 | 113.6 | P280 | P280-Q282 PolarHBondContact O-N 2.9Š|
| 283 | S | 48.9 | Very low | 53.4 | Low | 99 Ų | 99 | 123.6 Ų | 123.6 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -5 | 171.1 | 60.5 | 0 | 0 | 0 | 0 | 113.5 | R281 S285 | R281-S283 PolarHBondContact O-N 2.85Å; S283-S285 PolarHBondContact O-N 3.28Å; S283-S285 VanDerWaalsContact O-N 3.1Å |
| 284 | E | 45.9 | Very low | 52.2 | Low | 175 Ų | 175 | 130.2 Ų | 130.2 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | | | trans | -82.7 | 53 | 164.9 | -158.6 | 92.7 | -128.8 | 0 | 0 | 109.8 | R281 P286 | R281-E284 PolarHBondContact O-N 2.92Å; R281-E284 VanDerWaalsContact O-N 3.09Å; E284-P286 WeakPolarHBondContact O-CD 3.38Å |
| 285 | S | 39.8 | Very low | 50.9 | Low | 93 Ų | 93 | 127.2 Ų | 127.2 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | | | trans | -65.7 | 124.4 | 159.2 | 179.8 | 0 | 0 | 0 | 0 | 105.8 | S283 V287 | S283-S285 PolarHBondContact O-N 3.28Å; S283-S285 VanDerWaalsContact O-N 3.1Å; S285-V287 PolarHBondContact O-N 2.78Å |
| 286 | P | 47.8 | Very low | 50 | Low | 94 Ų | 94 | 133.6 Ų | 133.6 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | | | trans | -55 | 139.2 | 164.4 | 24.8 | -31.5 | 0 | 0 | 0 | 107.3 | E284 V288 | E284-P286 WeakPolarHBondContact O-CD 3.38Å; P286-V288 HydrophobicContact CG-CG2 4.18Å; P286-V288 PolarHBondContact O-N 3.09Å |
| 287 | V | 43.3 | Very low | 49.1 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | | | trans | -67.7 | 85 | 162.4 | 176 | 0 | 0 | 0 | 0 | 105.9 | S285 E289 | S285-V287 PolarHBondContact O-N 2.78Å; V287-E289 PolarHBondContact O-N 2.84Å; V287-E289 VanDerWaalsContact O-N 3.1Å |
| 288 | V | 47.5 | Very low | 47.7 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | | | trans | -61.2 | 111.3 | 164.2 | 175 | 0 | 0 | 0 | 0 | 105.4 | P286 Q290 | P286-V288 HydrophobicContact CG-CG2 4.18Å; P286-V288 PolarHBondContact O-N 3.09Å; V288-Q290 PolarHBondContact O-N 3.01Å |
| 289 | E | 45.8 | Very low | 46.7 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | trans | -52.5 | 135.5 | 177.9 | -64.5 | -163.1 | 146.2 | 0 | 0 | 110 | V287 N291 | V287-E289 PolarHBondContact O-N 2.84Å; V287-E289 VanDerWaalsContact O-N 3.1Å; E289-N291 PolarHBondContact O-N 3.39Å |
| 290 | Q | 50.9 | Low | 45.6 | Very low | 199 Ų | 199 | 126.2 Ų | 126.2 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | | | trans | -69.7 | 97.3 | -177.2 | -75.2 | -175.2 | -1.6 | 0 | 0 | 111.2 | V288 | V288-Q290 PolarHBondContact O-N 3.01Š|
| 291 | N | 36.3 | Very low | 44.3 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -26 | 134.3 | 156.9 | -177.1 | 9.7 | 0 | 0 | 0 | 114.3 | E289 | E289-N291 PolarHBondContact O-N 3.39Š|
| 292 | G | 42.1 | Very low | 43.1 | Very low | 70 Ų | 70 | 121.9 Ų | 121.9 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | trans | -145.9 | 8 | -162.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 293 | S | 51.1 | Low | 42.4 | Very low | 94 Ų | 94 | 115.9 Ų | 115.9 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | | | trans | 79.2 | 139.7 | 163.5 | -147.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 294 | R | 46.4 | Very low | 41.7 | Very low | 237 Ų | 237 | 115 Ų | 115 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | | | trans | 72.5 | 112.6 | 165.5 | -47.1 | 176.1 | -167 | 178.5 | 1.7 | 116.4 | | |
| 295 | G | 39.2 | Very low | 41.1 | Very low | 69 Ų | 69 | 110.6 Ų | 110.6 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | cis | 101.1 | 123.7 | 4.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 296 | V | 50.3 | Low | 40.8 | Very low | 158 Ų | 158 | 109.6 Ų | 109.6 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | | | trans | 77.8 | 123 | 166.9 | -171 | 0 | 0 | 0 | 0 | 118.4 | | |
| 297 | G | 40.7 | Very low | 40.5 | Very low | 69 Ų | 69 | 117.4 Ų | 117.4 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | | | trans | 112.3 | 105.3 | 132.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 298 | G | 35.8 | Very low | 40.2 | Very low | 84 Ų | 84 | 114.6 Ų | 114.6 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | | | trans | -73.6 | 179.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 299 | G | 36.2 | Very low | 39.7 | Very low | 83 Ų | 83 | 112.8 Ų | 112.8 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | | | trans | 84 | 129.4 | -175 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 300 | G | 36.2 | Very low | 39.5 | Very low | 77 Ų | 77 | 115.5 Ų | 115.5 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | | | cis | 143 | 141.5 | 8.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 301 | G | 36.9 | Very low | 38.8 | Very low | 83 Ų | 83 | 111.7 Ų | 111.7 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | | | trans | 82.7 | 108.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 302 | G | 35.4 | Very low | 39 | Very low | 84 Ų | 84 | 109.6 Ų | 109.6 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | | | | 87.1 | 119 | 119.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 303 | G | 33.6 | Very low | 38.8 | Very low | 80 Ų | 80 | 118 Ų | 118 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | | | | 102.7 | 77.5 | 118.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 304 | G | 35.6 | Very low | 38.1 | Very low | 81 Ų | 81 | 124.7 Ų | 124.7 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | | | | 77.4 | 172.9 | 125.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 305 | G | 32.6 | Very low | 37.5 | Very low | 81 Ų | 81 | 117 Ų | 117 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | | | trans | 82.5 | 97.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 306 | G | 34 | Very low | 37.5 | Very low | 73 Ų | 73 | 118.9 Ų | 118.9 | 75% | 0.753 | 84% | 0.843 | S | S | * | * | | | trans | -69.8 | 173.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 307 | R | 41.2 | Very low | 36.9 | Very low | 258 Ų | 258 | 117.6 Ų | 117.6 | 97% | 0.974 | 84% | 0.836 | S | S | * | * | | | trans | 84.5 | 99.3 | 175.1 | -51.1 | 178.3 | 178.7 | -140.4 | -1 | 116.9 | | |
| 308 | G | 36.9 | Very low | 37 | Very low | 81 Ų | 81 | 120.3 Ų | 120.3 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | | | | 118 | 116.7 | 121.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 309 | G | 37.4 | Very low | 37.3 | Very low | 76 Ų | 76 | 124.6 Ų | 124.6 | 78% | 0.784 | 84% | 0.837 | S | S | * | * | | | trans | 87.2 | 156.2 | 157 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 310 | R | 40.6 | Very low | 37.4 | Very low | 229 Ų | 229 | 132.2 Ų | 132.2 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | | | cis | -161.7 | 139.5 | -3.5 | -162.9 | -173.9 | -79.6 | -165.9 | -3.2 | 110.2 | | |
| 311 | C | 36.3 | Very low | 37.5 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 80% | 0.797 | 84% | 0.838 | S | S | * | * | | | trans | 55.9 | 154.5 | 157.4 | 64.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 312 | S | 40.9 | Very low | 37.6 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 81% | 0.811 | 84% | 0.836 | S | S | * | * | | | cis | -150.5 | 148.2 | 6.8 | -161.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 313 | R | 36.8 | Very low | 37.9 | Very low | 247 Ų | 247 | 141.3 Ų | 141.3 | 93% | 0.932 | 83% | 0.834 | S | S | * | * | | | trans | -142.9 | 105.4 | 168 | -172.8 | -169.5 | -84 | -150.9 | 0.2 | 110 | | |
| 314 | R | 37.5 | Very low | 38.2 | Very low | 235 Ų | 235 | 143.6 Ų | 143.6 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | | | trans | -166.9 | 153.1 | 168 | -105.1 | 177.3 | -158.2 | -116.3 | -3.3 | 108.7 | | |
| 315 | G | 34.2 | Very low | 38.5 | Very low | 76 Ų | 76 | 147.9 Ų | 147.9 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | | | cis | -167 | -177.9 | 2.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 316 | A | 37.7 | Very low | 38.8 | Very low | 108 Ų | 108 | 155.4 Ų | 155.4 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | | | trans | -115.9 | 170.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 317 | T | 38.3 | Very low | 39.1 | Very low | 131 Ų | 131 | 156 Ų | 156 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | | | trans | -142.1 | 133.6 | 161.4 | -162.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 318 | T | 42.8 | Very low | 39.4 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 77% | 0.767 | 82% | 0.821 | S | S | * | * | | | | -174.4 | 142 | 125.9 | -70.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 319 | Q | 42.7 | Very low | 39.7 | Very low | 175 Ų | 175 | 153.3 Ų | 153.3 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -22.2 | 133.9 | 177.1 | -62.6 | 171 | -20 | 0 | 0 | 117.9 | | |
| 320 | R | 37.1 | Very low | 39.7 | Very low | 243 Ų | 243 | 153.2 Ų | 153.2 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | | | | 73.5 | 103.3 | 59.8 | -172.6 | -163.6 | -94.7 | -138.6 | 1.4 | 114.4 | | |
| 321 | S | 39.6 | Very low | 39.5 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | | | trans | -157.1 | 144.3 | 135.3 | -164.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 322 | M | 38.3 | Very low | 39.5 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | trans | -117 | 151.3 | 171 | -61.4 | -178.9 | -175.9 | 0 | 0 | 108.7 | | |
| 323 | I | 42.5 | Very low | 39.3 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | trans | -139.2 | 127.5 | 148.3 | -86.2 | 125.7 | 0 | 0 | 0 | 107.8 | | |
| 324 | N | 39.1 | Very low | 39.2 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | | | trans | -79.9 | 162.3 | 170.3 | -66.9 | -47 | 0 | 0 | 0 | 110.2 | | |
| 325 | N | 42.5 | Very low | 39.1 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | trans | -148.5 | 142.8 | 132.9 | -104.6 | -14.9 | 0 | 0 | 0 | 111.5 | | |
| 326 | R | 37.5 | Very low | 39 | Very low | 239 Ų | 239 | 139.8 Ų | 139.8 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -107 | 149 | -177.3 | -67.7 | 171.7 | 169.7 | 166.3 | -6.3 | 110.3 | | |
| 327 | A | 40.8 | Very low | 38.7 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | -155 | 117.8 | 148.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 328 | N | 47.2 | Very low | 38.4 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | | | | 71.7 | 133.5 | 101.7 | -77.5 | 53.3 | 0 | 0 | 0 | 112.9 | | |
| 329 | D | 43.2 | Very low | 37.9 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | cis | -152.2 | 161.5 | -10.8 | -75.6 | -49.2 | 0 | 0 | 0 | 104.1 | | |
| 330 | G | 38.9 | Very low | 37.7 | Very low | 74 Ų | 74 | 139.9 Ų | 139.9 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | cis | 150 | 139 | 16.4 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 331 | G | 36.1 | Very low | 37.1 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | 87.4 | 135.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 332 | T | 36 | Very low | 36.6 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | cis | 158 | 126.3 | -31.3 | 39.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 333 | V | 37.4 | Very low | 36.2 | Very low | 137 Ų | 137 | 134 Ų | 134 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | | | trans | 58.1 | 157.3 | 148 | -49.3 | 0 | 0 | 0 | 0 | 119 | | |
| 334 | S | 33.9 | Very low | 35.8 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | cis | -167 | 159.3 | -9.5 | -118 | 0 | 0 | 0 | 0 | 112 | | |
| 335 | L | 35.1 | Very low | 35.4 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | | | trans | 63.3 | 120 | 144.3 | -62.9 | 167.1 | 0 | 0 | 0 | 123.3 | | |
| 336 | N | 32.5 | Very low | 35.5 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | trans | 9 | 125.5 | 143 | -57.5 | -2.1 | 0 | 0 | 0 | 120.9 | | |
| 337 | G | 32 | Very low | 35.6 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | trans | 158.6 | 83.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 338 | K | 31.1 | Very low | 35.3 | Very low | 193 Ų | 193 | 127.8 Ų | 127.8 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | trans | 38.1 | 106.8 | 136.3 | -162.3 | 173.8 | -175.6 | -178.2 | 0 | 121 | | |
| 339 | L | 33.6 | Very low | 35 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | 68.3 | 164 | 157.6 | -60.5 | 168.6 | 0 | 0 | 0 | 117.2 | | |
| 340 | P | 36.5 | Very low | 35 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | cis | -132 | 175 | -16.1 | 39.8 | -22.6 | 0 | 0 | 0 | 116.1 | | |
| 341 | W | 26.1 | Very low | 34.9 | Very low | 227 Ų | 227 | 134.8 Ų | 134.8 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | 53.4 | 115.1 | 137.1 | -177.5 | -90.4 | 0 | 0 | 0 | 123.9 | | |
| 342 | S | 27.8 | Very low | 35.3 | Very low | 86 Ų | 86 | 136.5 Ų | 136.5 | 60% | 0.601 | 76% | 0.758 | S | S | * | * | | | trans | 64.3 | 163.1 | 142.5 | 101.8 | 0 | 0 | 0 | 0 | 120 | | |
| 343 | S | 31.5 | Very low | 35.6 | Very low | 80 Ų | 80 | 139 Ų | 139 | 56% | 0.559 | 76% | 0.761 | S | S | * | * | | | cis | -160.7 | 173.8 | -9.5 | 39.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 344 | E | 32.6 | Very low | 35.5 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | 68.7 | 143.4 | 162.6 | -75.8 | 143.2 | 103.7 | 0 | 0 | 117.9 | | |
| 345 | S | 32.2 | Very low | 35.4 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | cis | -162 | 143.9 | -10.4 | -158.9 | 0 | 0 | 0 | 0 | 105.6 | | |
| 346 | T | 42.7 | Very low | 35.4 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 63% | 0.632 | 76% | 0.763 | S | S | * | * | | | | -175.6 | 142 | 60.2 | 33.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 347 | K | 39.8 | Very low | 35.3 | Very low | 206 Ų | 206 | 133.5 Ų | 133.5 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | | | trans | 45.9 | 127.4 | 141.4 | -54.7 | 169 | -177.6 | 174.5 | 0 | 119.9 | | |
| 348 | G | 36.2 | Very low | 35.7 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | | | cis | 156 | 166.3 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 349 | R | 39.4 | Very low | 36.1 | Very low | 238 Ų | 238 | 134.5 Ų | 134.5 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | | | trans | 69 | 144.5 | 172.1 | -76.3 | -173.2 | 92.4 | 156.9 | 7.6 | 118.4 | | |
| 350 | T | 43.1 | Very low | 36.6 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 56% | 0.558 | 75% | 0.754 | S | S | * | * | | | cis | -164.3 | 153.9 | -23.5 | 7.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 351 | E | 36.8 | Very low | 36.6 | Very low | 175 Ų | 175 | 135 Ų | 135 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | 24.4 | 151.3 | 138.4 | -69.4 | 159.9 | 156.4 | 0 | 0 | 121.9 | | |
| 352 | S | 44.4 | Very low | 37.3 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | | | cis | -164.7 | 151.8 | 14.4 | 29.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 353 | Q | 42.7 | Very low | 37.6 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | 10.3 | 133.5 | 143.7 | -57.8 | 172.8 | -21.7 | 0 | 0 | 123.6 | | |
| 354 | N | 35.4 | Very low | 38.6 | Very low | 155 Ų | 155 | 142 Ų | 142 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | | 153.1 | 163.4 | 121.3 | -83.9 | -22.5 | 0 | 0 | 0 | 112.4 | | |
| 355 | A | 31.7 | Very low | 39 | Very low | 84 Ų | 84 | 140.3 Ų | 140.3 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | | | cis | -179.6 | 153.9 | -44 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 356 | A | 34.3 | Very low | 39.8 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | trans | 67.7 | 117.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 357 | A | 31.3 | Very low | 39.9 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | | 83.7 | 140.1 | 76 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 358 | I | 40.6 | Very low | 40 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | | | | -154 | 152.4 | 53.8 | -77.5 | 162.7 | 0 | 0 | 0 | 111.7 | | |
| 359 | T | 38.7 | Very low | 40.7 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -102.5 | 179.3 | 177.8 | 20.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 360 | P | 44.8 | Very low | 40.8 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -95 | -147.5 | -152.5 | 42.5 | -40.8 | 0 | 0 | 0 | 115.3 | | |
| 361 | E | 37.6 | Very low | 40.8 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | 102.2 | 143.7 | -178.2 | -59.4 | 178.6 | -143.3 | 0 | 0 | 113.6 | | |
| 362 | K | 40.4 | Very low | 40.8 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | | | cis | -153.8 | 158.9 | 24.5 | -156.6 | 161.3 | -175.3 | 157.4 | 0 | 114.9 | | |
| 363 | E | 33.8 | Very low | 40.5 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | -97 | 142.9 | -179.6 | 165.5 | -171.7 | -116.2 | 0 | 0 | 111.9 | | |
| 364 | I | 52.5 | Low | 40.2 | Very low | 180 Ų | 180 | 132 Ų | 132 | 92% | 0.923 | 77% | 0.768 | S | S | * | * | | | trans | -153.8 | 157.5 | 152.2 | 7.8 | 173.8 | 0 | 0 | 0 | 111.2 | | |
| 365 | D | 39.8 | Very low | 40.6 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | trans | -137.4 | -174.3 | -145.1 | -171.8 | 15.5 | 0 | 0 | 0 | 112 | | |
| 366 | V | 49.2 | Very low | 40.9 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | | | trans | 95.9 | 104.9 | 159.9 | -169.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 367 | D | 45.3 | Very low | 41 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | 34.6 | 141 | 132.1 | -51.4 | -58.8 | 0 | 0 | 0 | 120.3 | | |
| 368 | D | 43.1 | Very low | 41.5 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 67% | 0.674 | 78% | 0.777 | S | S | * | * | | | | -169.9 | 160.9 | 70.3 | -152.2 | 15.2 | 0 | 0 | 0 | 118.1 | | |
| 369 | H | 49.1 | Very low | 41.6 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | trans | 17.5 | 116.7 | 158.9 | -66.6 | -10.1 | 0 | 0 | 0 | 126.1 | | |
| 370 | S | 43.4 | Very low | 41.6 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | | 95.3 | 152.2 | 110.3 | 78.9 | 0 | 0 | 0 | 0 | 125 | | |
| 371 | V | 42.8 | Very low | 41.2 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | 61.7 | 97.1 | 157.2 | -71.9 | 0 | 0 | 0 | 0 | 123.9 | | |
| 372 | T | 36.6 | Very low | 41.4 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | | 45.8 | 131.6 | 117.7 | 62.4 | 0 | 0 | 0 | 0 | 123.5 | | |
| 373 | A | 37.9 | Very low | 41.4 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | | | | 112.5 | 126.3 | 128.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 374 | S | 37.2 | Very low | 41.7 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | | | trans | 65.2 | 155.5 | 153.7 | -55.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 375 | A | 42.3 | Very low | 41.2 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 65% | 0.645 | 75% | 0.754 | S | S | * | * | | | cis | -164 | 159.3 | -27.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 376 | D | 38.4 | Very low | 41.3 | Very low | 170 Ų | 170 | 120.8 Ų | 120.8 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | | | trans | 47 | 115.9 | 158.2 | -52.5 | -35.4 | 0 | 0 | 0 | 120.7 | | |
| 377 | G | 36.4 | Very low | 41.1 | Very low | 83 Ų | 83 | 123.1 Ų | 123.1 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | | | trans | 174.6 | 74 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 378 | L | 41.7 | Very low | 41 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | -80.9 | 165.1 | 159.7 | -76.4 | 165.5 | 0 | 0 | 0 | 110 | | |
| 379 | P | 43.6 | Very low | 40.8 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | | | cis | -138 | -172.8 | -33 | 37.9 | -20.4 | 0 | 0 | 0 | 113.4 | | |
| 380 | S | 37.7 | Very low | 40.4 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | | | trans | 109.1 | 121.3 | 143.5 | -150.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 381 | A | 36.6 | Very low | 40 | Very low | 79 Ų | 79 | 127 Ų | 127 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | | | trans | 47.3 | 119.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 382 | H | 41.1 | Very low | 39.7 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | | -176.5 | 156.6 | 100.8 | -114 | -94 | 0 | 0 | 0 | 114.5 | | |
| 383 | N | 41.6 | Very low | 39.8 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | 66.6 | 112.9 | 160.2 | -51.9 | -23 | 0 | 0 | 0 | 117.4 | | |
| 384 | S | 38.9 | Very low | 39.5 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | cis | 93 | 140 | 28 | -161.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 385 | L | 42.6 | Very low | 39.4 | Very low | 161 Ų | 161 | 129.9 Ų | 129.9 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | trans | 70.7 | 138.9 | -179.4 | -58.1 | 116.9 | 0 | 0 | 0 | 116.1 | | |
| 386 | S | 41.1 | Very low | 39 | Very low | 84 Ų | 84 | 133.6 Ų | 133.6 | 59% | 0.587 | 78% | 0.775 | S | S | * | * | | | cis | -167.2 | 143.7 | -12 | 46.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 387 | D | 45.1 | Very low | 39 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | | -164.5 | 154 | 117 | -100.9 | -28 | 0 | 0 | 0 | 113.1 | | |
| 388 | K | 44.1 | Very low | 38.8 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | | | trans | -105.8 | 142 | -161.9 | -58.6 | 159.8 | -177.9 | 168 | 0 | 110.3 | | |
| 389 | S | 39.5 | Very low | 38.2 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | | 143.7 | 147.2 | 94.4 | 52.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 390 | N | 39.7 | Very low | 37.8 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | cis | -136.7 | 137.6 | -13.5 | -74.7 | -37.8 | 0 | 0 | 0 | 105.8 | | |
| 391 | Q | 36 | Very low | 37.9 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | | 38.6 | 127.3 | 95.1 | -54.1 | -169.8 | 25.1 | 0 | 0 | 113.5 | | |
| 392 | V | 35.9 | Very low | 37.9 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | | | cis | -159.3 | 150.5 | 44.7 | 168.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 393 | A | 38.7 | Very low | 37.5 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | trans | 53 | 120.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 394 | D | 32.1 | Very low | 37.3 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | cis | 60.1 | 116.4 | 29.1 | -113.9 | -4.7 | 0 | 0 | 0 | 115.6 | | |
| 395 | I | 34.2 | Very low | 36.7 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | | | trans | 66.7 | 93.1 | 170.1 | -45.9 | 166.7 | 0 | 0 | 0 | 115.8 | | |
| 396 | N | 34.7 | Very low | 36.4 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -178.2 | 67.3 | 143.3 | -93.5 | -17.3 | 0 | 0 | 0 | 111.6 | | |
| 397 | A | 37.4 | Very low | 35.9 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | | | trans | -107.4 | 43 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 398 | L | 31.7 | Very low | 35.5 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -146.9 | 137.1 | 172.8 | -112.1 | 104.5 | 0 | 0 | 0 | 108.4 | | |
| 399 | A | 30.5 | Very low | 35.2 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | 76.9 | 154.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 400 | E | 35.5 | Very low | 35.1 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | 65.9 | 125 | -170.8 | -54.7 | -179.4 | 172.8 | 0 | 0 | 113.5 | | |
| 401 | V | 38.9 | Very low | 35.1 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | cis | -128.1 | 120.8 | 27.2 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 402 | K | 36.4 | Very low | 35.7 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | | | trans | -85.9 | 149.5 | 152.2 | -83.3 | -178.5 | 173.8 | 179.6 | 0 | 108.5 | | |
| 403 | N | 32.7 | Very low | 35.9 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | | | trans | 54.5 | 105.3 | 159.9 | -62.4 | 2.1 | 0 | 0 | 0 | 118.6 | | |
| 404 | S | 37.2 | Very low | 36.2 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -149.2 | 71.8 | 142.2 | 69.3 | 0 | 0 | 0 | 0 | 111.3 | V406 | S404-V406 PolarHBondContact O-N 2.78Š|
| 405 | Y | 27.1 | Very low | 36.6 | Very low | 229 Ų | 229 | 149.8 Ų | 149.8 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -78.7 | 101.4 | 155.3 | -175.2 | -90.5 | 0 | 0 | 0 | 106.1 | | |
| 406 | V | 36.2 | Very low | 36.6 | Very low | 117 Ų | 117 | 148.3 Ų | 148.3 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | | | trans | -127 | 118.1 | 176.6 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | S404 | S404-V406 PolarHBondContact O-N 2.78Š|
| 407 | E | 30.7 | Very low | 36.4 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 61% | 0.607 | 79% | 0.792 | S | S | * | * | | | trans | -67 | 123.2 | 173.9 | -176.1 | -177 | 165.6 | 0 | 0 | 110.9 | K409 | E407-K409 HydrophobicContact CG-CG 4.44Å; E407-K409 WeakPolarHBondContact OE1-CE 3.37Å; E407-K409 IonicContact OE1-NZ 2.61Å; E407-K409 PolarHBondContact OE1-NZ 3.31Å |
| 408 | C | 35.5 | Very low | 36.4 | Very low | 125 Ų | 125 | 146 Ų | 146 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -119.1 | 99.7 | 165.4 | -73.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 409 | K | 37.9 | Very low | 36.8 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | | | trans | -67.1 | 157.6 | 170.3 | -70.3 | -177.4 | 167.8 | 77 | 0 | 111.4 | E407 | E407-K409 HydrophobicContact CG-CG 4.44Å; E407-K409 WeakPolarHBondContact OE1-CE 3.37Å; E407-K409 IonicContact OE1-NZ 2.61Å; E407-K409 PolarHBondContact OE1-NZ 3.31Å |
| 410 | K | 37.6 | Very low | 37.1 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 70% | 0.704 | 79% | 0.789 | S | S | * | * | | | trans | 88 | 137.3 | 142.4 | -93.5 | 179.4 | 134.7 | -84.1 | 0 | 120.7 | | |
| 411 | D | 40.8 | Very low | 36.9 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 60% | 0.604 | 78% | 0.783 | S | S | * | * | | | trans | 63.6 | 113.4 | 153.2 | -43.9 | -24.4 | 0 | 0 | 0 | 115 | | |
| 412 | D | 47.1 | Very low | 36.9 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | | | cis | -154.2 | 154.6 | 47.1 | -86.9 | -50.6 | 0 | 0 | 0 | 114.6 | | |
| 413 | D | 41.1 | Very low | 37.2 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | trans | -78.9 | 130.5 | 177.3 | -66.7 | -69.4 | 0 | 0 | 0 | 113.2 | | |
| 414 | Q | 44.5 | Very low | 38.1 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | | 176.8 | 145.2 | 111.3 | -95.6 | 168.7 | 26.3 | 0 | 0 | 114.2 | | |
| 415 | Q | 41.5 | Very low | 38.4 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | 115.8 | 99.4 | 142.6 | -149.8 | 160.7 | 20 | 0 | 0 | 118.6 | | |
| 416 | C | 34.4 | Very low | 40.4 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 72.3 | 101.1 | 147.4 | -66.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 417 | A | 30.5 | Very low | 42.2 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | trans | -66 | 134 | 170 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 418 | S | 36.7 | Very low | 44.1 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -173.7 | 143.9 | 141.2 | -90.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 419 | Q | 40.6 | Very low | 46.1 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | trans | 69.5 | 74 | 162.4 | -61.8 | -174.1 | 13.1 | 0 | 0 | 119.1 | | |
| 420 | E | 35.8 | Very low | 47.7 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | | | | 28.4 | 106 | 103.7 | -157 | 169 | -151.8 | 0 | 0 | 118 | | |
| 421 | G | 30.9 | Very low | 49.5 | Very low | 74 Ų | 74 | 136.3 Ų | 136.3 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | | | | 78.3 | 38.9 | 124.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | A423 | G421-A423 PolarHBondContact O-N 3.1Š|
| 422 | H | 40.4 | Very low | 51 | Low | 175 Ų | 175 | 133.1 Ų | 133.1 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | | | trans | -77.7 | 85.8 | 168.4 | -95.4 | 67.7 | 0 | 0 | 0 | 113.3 | R424 | H422-R424 PolarHBondContact O-N 3.49Š|
| 423 | A | 42.5 | Very low | 52 | Low | 94 Ų | 94 | 132.6 Ų | 132.6 | 78% | 0.777 | 71% | 0.713 | S | S | * | * | | | trans | -57.9 | 117.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G421 R425 | G421-A423 PolarHBondContact O-N 3.1Å; A423-R425 PolarHBondContact O-N 2.59Å; A423-R425 VanDerWaalsContact O-N 3.1Å |
| 424 | R | 50.3 | Low | 53.3 | Low | 243 Ų | 243 | 127.9 Ų | 127.9 | 92% | 0.917 | 70% | 0.695 | S | S | * | * | | | trans | -69 | 108.6 | -177 | -68.2 | -175.7 | 177.9 | -169.2 | 0.5 | 110.4 | H422 V426 | H422-R424 PolarHBondContact O-N 3.49Å; R424-V426 PolarHBondContact O-N 2.78Å |
| 425 | R | 44.6 | Very low | 54.4 | Low | 238 Ų | 238 | 121.3 Ų | 121.3 | 90% | 0.898 | 67% | 0.673 | S | S | * | * | | | trans | -63.7 | 105.4 | 171.8 | -80.2 | 178.7 | 156 | 154.9 | -6.2 | 110.6 | A423 T427 | A423-R425 PolarHBondContact O-N 2.59Å; A423-R425 VanDerWaalsContact O-N 3.1Å; R425-T427 PolarHBondContact O-N 3.1Å |
| 426 | V | 68.5 | Low | 55.6 | Low | 106 Ų | 106 | 118.3 Ų | 118.3 | 64% | 0.642 | 66% | 0.661 | S | S | * | * | | | trans | -57.4 | 129.6 | 169.4 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | R424 D430 L431 | R424-V426 PolarHBondContact O-N 2.78Å; V426-D430 HydrophobicContact CG1-CB 3.87Å; V426-L431 HydrophobicContact CG1-CD1 4.31Å |
| 427 | T | 74.1 | Confident | 57.1 | Low | 72 Ų | 72 | 115.7 Ų | 115.7 | 44% | 0.442 | 64% | 0.644 | S | S | . | * | | | trans | -91 | 160.1 | 178.8 | 73.5 | 0 | 0 | 0 | 0 | 111.5 | R425 A429 D430 L431 | R425-T427 PolarHBondContact O-N 3.1Å; T427-A429 PolarHBondContact O-N 2.93Å; T427-A429 VanDerWaalsContact O-N 3.11Å; T427-A429 PolarHBondContact OG1-N 3.21Å; T427-D430 WeakPolarHBondContact CB-OD2 3.2Å; T427-D430 PolarHBondContact N-OD2 3.32Å; T427-D430 WeakPolarHBondContact O-CB 3.42Å; T427-D430 PolarHBondContact O-N 2.89Å; T427-D430 PolarHBondContact OG1-N 3.4Å; T427-D430 PolarHBondContact OG1-OD2 3.15Å; T427-L431 PolarHBondContact O-N 3.18Å; T427-L431 VanDerWaalsContact O-N 3.08Å |
| 428 | L | 71.7 | Confident | 58.4 | Low | 153 Ų | 153 | 117 Ų | 117 | 80% | 0.801 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -53.2 | -32.4 | 172.9 | -166.6 | 77.1 | 0 | 0 | 0 | 112.1 | L431 A432 | L428-L431 PolarHBondContact O-N 3.42Å; L428-A432 WeakPolarHBondContact O-CB 3.45Å; L428-A432 PolarHBondContact O-N 3.07Å |
| 429 | A | 75.9 | Confident | 59.2 | Low | 53 Ų | 53 | 117.3 Ų | 117.3 | 44% | 0.438 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -74.4 | -23.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T427 R433 | T427-A429 PolarHBondContact O-N 2.93Å; T427-A429 VanDerWaalsContact O-N 3.11Å; T427-A429 PolarHBondContact OG1-N 3.21Å; A429-R433 PolarHBondContact O-N 2.91Å; A429-R433 PolarHBondContact O-NE 2.8Å; A429-R433 PolarHBondContact O-NH2 2.92Å |
| 430 | D | 71.3 | Confident | 59.8 | Low | 56 Ų | 56 | 112.5 Ų | 112.5 | 30% | 0.299 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -80.2 | -39.6 | 172.5 | -55.4 | -55.8 | 0 | 0 | 0 | 110.1 | V426 T427 R433 A434 | V426-D430 HydrophobicContact CG1-CB 3.87Å; T427-D430 WeakPolarHBondContact CB-OD2 3.2Å; T427-D430 PolarHBondContact N-OD2 3.32Å; T427-D430 WeakPolarHBondContact O-CB 3.42Å; T427-D430 PolarHBondContact O-N 2.89Å; T427-D430 PolarHBondContact OG1-N 3.4Å; T427-D430 PolarHBondContact OG1-OD2 3.15Å; D430-R433 PolarHBondContact O-N 2.97Å; D430-R433 IonicContact OD1-CZ 3.41Å; D430-R433 IonicContact OD1-NH1 2.94Å; D430-R433 PolarHBondContact OD1-NH1 3.44Å; D430-R433 IonicContact OD1-NH2 3.28Å; D430-R433 PolarHBondContact OD1-NH2 2.83Å; D430-A434 PolarHBondContact O-N 2.79Å |
| 431 | L | 76 | Confident | 60.6 | Low | 115 Ų | 115 | 109 Ų | 109 | 60% | 0.602 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.7 | -44 | 172.4 | -141.3 | 93.6 | 0 | 0 | 0 | 111.6 | V426 T427 L428 R433 A434 A435 | V426-L431 HydrophobicContact CG1-CD1 4.31Å; T427-L431 PolarHBondContact O-N 3.18Å; T427-L431 VanDerWaalsContact O-N 3.08Å; L428-L431 PolarHBondContact O-N 3.42Å; L431-R433 PolarHBondContact O-N 3.04Å; L431-A434 WeakPolarHBondContact O-CB 3.36Å; L431-A434 PolarHBondContact O-N 3.27Å; L431-A435 PolarHBondContact O-N 3.46Å |
| 432 | A | 73.5 | Confident | 61.5 | Low | 47 Ų | 47 | 108.7 Ų | 108.7 | 39% | 0.388 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.6 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L428 A435 I436 | L428-A432 WeakPolarHBondContact O-CB 3.45Å; L428-A432 PolarHBondContact O-N 3.07Å; A432-A435 PolarHBondContact O-N 3.15Å; A432-I436 WeakPolarHBondContact O-CG1 3.32Å; A432-I436 PolarHBondContact O-N 3.18Å; A432-I436 VanDerWaalsContact O-N 3.09Å |
| 433 | R | 68.1 | Low | 62 | Low | 151 Ų | 151 | 108.7 Ų | 108.7 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.8 | -35.7 | 174.1 | -87.8 | 177.4 | -86 | 126 | 2.9 | 112.3 | A429 D430 L431 S437 | A429-R433 PolarHBondContact O-N 2.91Å; A429-R433 PolarHBondContact O-NE 2.8Å; A429-R433 PolarHBondContact O-NH2 2.92Å; D430-R433 PolarHBondContact O-N 2.97Å; D430-R433 IonicContact OD1-CZ 3.41Å; D430-R433 IonicContact OD1-NH1 2.94Å; D430-R433 PolarHBondContact OD1-NH1 3.44Å; D430-R433 IonicContact OD1-NH2 3.28Å; D430-R433 PolarHBondContact OD1-NH2 2.83Å; L431-R433 PolarHBondContact O-N 3.04Å; R433-S437 WeakPolarHBondContact O-CB 3.46Å; R433-S437 PolarHBondContact O-N 2.95Å |
| 434 | A | 67.9 | Low | 62.3 | Low | 53 Ų | 53 | 113.1 Ų | 113.1 | 44% | 0.438 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.2 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D430 L431 S437 L438 | D430-A434 PolarHBondContact O-N 2.79Å; L431-A434 WeakPolarHBondContact O-CB 3.36Å; L431-A434 PolarHBondContact O-N 3.27Å; A434-S437 WeakPolarHBondContact O-CB 3.47Å; A434-S437 PolarHBondContact O-N 3.32Å; A434-L438 PolarHBondContact O-N 3.11Å |
| 435 | A | 67.4 | Low | 61.8 | Low | 51 Ų | 51 | 105.3 Ų | 105.3 | 42% | 0.421 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61 | -48.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L431 A432 S437 L438 E439 | L431-A435 PolarHBondContact O-N 3.46Å; A432-A435 PolarHBondContact O-N 3.15Å; A435-S437 VanDerWaalsContact C-N 3.27Å; A435-S437 PolarHBondContact O-N 3.42Å; A435-L438 WeakPolarHBondContact O-CB 3.41Å; A435-L438 PolarHBondContact O-N 3.43Å; A435-L438 VanDerWaalsContact O-N 3.16Å; A435-E439 PolarHBondContact O-N 3.23Å |
| 436 | I | 66 | Low | 61.4 | Low | 112 Ų | 112 | 102.1 Ų | 102.1 | 57% | 0.574 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.4 | -35.8 | 177.9 | -64.9 | 164.6 | 0 | 0 | 0 | 111.3 | A432 S440 | A432-I436 WeakPolarHBondContact O-CG1 3.32Å; A432-I436 PolarHBondContact O-N 3.18Å; A432-I436 VanDerWaalsContact O-N 3.09Å; I436-S440 PolarHBondContact O-N 3.08Å; I436-S440 VanDerWaalsContact O-N 3.1Å |
| 437 | S | 66.5 | Low | 60 | Low | 64 Ų | 64 | 102.6 Ų | 102.6 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.4 | -42.5 | 175.3 | -167 | 0 | 0 | 0 | 0 | 112 | R433 A434 A435 S440 N441 | R433-S437 WeakPolarHBondContact O-CB 3.46Å; R433-S437 PolarHBondContact O-N 2.95Å; A434-S437 WeakPolarHBondContact O-CB 3.47Å; A434-S437 PolarHBondContact O-N 3.32Å; A435-S437 VanDerWaalsContact C-N 3.27Å; A435-S437 PolarHBondContact O-N 3.42Å; S437-S440 PolarHBondContact O-N 3.1Å; S437-S440 PolarHBondContact O-OG 2.89Å; S437-N441 PolarHBondContact O-N 3.32Å |
| 438 | L | 57.5 | Low | 58.1 | Low | 129 Ų | 129 | 109.4 Ų | 109.4 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.6 | -44.8 | 174.9 | -84.2 | 155.7 | 0 | 0 | 0 | 112.5 | A434 A435 S440 N441 A442 | A434-L438 PolarHBondContact O-N 3.11Å; A435-L438 WeakPolarHBondContact O-CB 3.41Å; A435-L438 PolarHBondContact O-N 3.43Å; A435-L438 VanDerWaalsContact O-N 3.16Å; L438-S440 VanDerWaalsContact C-N 3.25Å; L438-S440 PolarHBondContact O-N 2.95Å; L438-N441 PolarHBondContact O-N 3.48Å; L438-A442 PolarHBondContact O-N 3.09Å |
| 439 | E | 52.8 | Low | 56.3 | Low | 119 Ų | 119 | 107.5 Ų | 107.5 | 56% | 0.556 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.3 | -31 | 174.8 | -75.4 | -170.9 | 106.7 | 0 | 0 | 113.2 | A435 N441 | A435-E439 PolarHBondContact O-N 3.23Å; E439-N441 VanDerWaalsContact C-N 3.35Å |
| 440 | S | 53.5 | Low | 54.3 | Low | 70 Ų | 70 | 112.3 Ų | 112.3 | 49% | 0.49 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.1 | -29.1 | 177.9 | 79.6 | 0 | 0 | 0 | 0 | 113.2 | I436 S437 L438 | I436-S440 PolarHBondContact O-N 3.08Å; I436-S440 VanDerWaalsContact O-N 3.1Å; S437-S440 PolarHBondContact O-N 3.1Å; S437-S440 PolarHBondContact O-OG 2.89Å; L438-S440 VanDerWaalsContact C-N 3.25Å; L438-S440 PolarHBondContact O-N 2.95Å |
| 441 | N | 52.6 | Low | 52.4 | Low | 114 Ų | 114 | 114.3 Ų | 114.3 | 61% | 0.61 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -87.2 | -30.4 | 176.1 | -86 | -32.3 | 0 | 0 | 0 | 113.2 | S437 L438 E439 K443 K444 | S437-N441 PolarHBondContact O-N 3.32Å; L438-N441 PolarHBondContact O-N 3.48Å; E439-N441 VanDerWaalsContact C-N 3.35Å; N441-K443 PolarHBondContact O-N 3.47Å; N441-K444 PolarHBondContact O-N 3.04Å |
| 442 | A | 50.3 | Low | 50.4 | Low | 67 Ų | 67 | 113.7 Ų | 113.7 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -58.6 | -30.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L438 K444 A445 | L438-A442 PolarHBondContact O-N 3.09Å; A442-K444 PolarHBondContact O-N 3.2Å; A442-K444 VanDerWaalsContact O-N 3.16Å; A442-A445 PolarHBondContact O-N 2.6Å |
| 443 | K | 51.7 | Low | 48.9 | Very low | 175 Ų | 175 | 119.9 Ų | 119.9 | 76% | 0.761 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 6.2 | -178.7 | -67 | 175.3 | -176.5 | 174.8 | 0 | 115.1 | N441 | N441-K443 PolarHBondContact O-N 3.47Š|
| 444 | K | 48.4 | Very low | 47.5 | Very low | 188 Ų | 188 | 118.6 Ų | 118.6 | 82% | 0.817 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 0.7 | 173.2 | -76.9 | -176.9 | 176.1 | 177.6 | 0 | 114.5 | N441 A442 | N441-K444 PolarHBondContact O-N 3.04Å; A442-K444 PolarHBondContact O-N 3.2Å; A442-K444 VanDerWaalsContact O-N 3.16Å |
| 445 | A | 39.3 | Very low | 46.1 | Very low | 79 Ų | 79 | 125.9 Ų | 125.9 | 65% | 0.653 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -88.3 | 128.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | A442 | A442-A445 PolarHBondContact O-N 2.6Š|
| 446 | Q | 35.9 | Very low | 44.9 | Very low | 171 Ų | 171 | 127 Ų | 127 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 138.7 | 175.1 | -77.9 | -78.7 | -34.2 | 0 | 0 | 111 | W448 | Q446-W448 PolarHBondContact O-N 3.25Š|
| 447 | P | 39.5 | Very low | 44 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -73 | 117.7 | 174.5 | 29.9 | -32.5 | 0 | 0 | 0 | 110.1 | | |
| 448 | W | 33.5 | Very low | 43.3 | Very low | 215 Ų | 215 | 133.1 Ų | 133.1 | 81% | 0.814 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -76 | 135.3 | 173.3 | 48.4 | -82.9 | 0 | 0 | 0 | 110.2 | Q446 | Q446-W448 PolarHBondContact O-N 3.25Š|
| 449 | S | 34.8 | Very low | 43.6 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 131.3 | -173.9 | 27.9 | 0 | 0 | 0 | 0 | 112.3 | S451 | S449-S451 PolarHBondContact O-N 2.87Š|
| 450 | L | 34.1 | Very low | 44.1 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 81% | 0.806 | 72% | 0.715 | S | S | * | * | | | trans | -65.1 | 112.9 | 179.1 | -73.3 | 162.6 | 0 | 0 | 0 | 111.4 | A452 | L450-A452 PolarHBondContact O-N 3.05Š|
| 451 | S | 31.2 | Very low | 44.5 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | | | trans | -84.2 | 104.5 | 166 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | S449 K453 | S449-S451 PolarHBondContact O-N 2.87Å; S451-K453 PolarHBondContact O-N 2.87Å; S451-K453 VanDerWaalsContact O-N 3.17Å |
| 452 | A | 34.1 | Very low | 44.7 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | | | trans | -67.5 | 110.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L450 | L450-A452 PolarHBondContact O-N 3.05Š|
| 453 | K | 42.2 | Very low | 45.4 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | | | trans | -115.9 | 130.5 | 164.4 | -70.2 | -178.7 | -178.5 | 174.9 | 0 | 108.4 | S451 | S451-K453 PolarHBondContact O-N 2.87Å; S451-K453 VanDerWaalsContact O-N 3.17Å |
| 454 | P | 38.2 | Very low | 46 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 81% | 0.805 | 70% | 0.696 | S | S | * | * | | | trans | -70.6 | 155.6 | 179.3 | 30.6 | -34.9 | 0 | 0 | 0 | 111.1 | G456 | P454-G456 PolarHBondContact O-N 3.08Š|
| 455 | F | 39 | Very low | 47 | Very low | 205 Ų | 205 | 121 Ų | 121 | 90% | 0.899 | 68% | 0.684 | S | S | * | * | | | trans | -36.4 | 129.9 | 178.7 | -74.8 | -98.7 | 0 | 0 | 0 | 114.2 | K457 | F455-K457 PolarHBondContact O-N 3.07Š|
| 456 | G | 42.2 | Very low | 48.2 | Very low | 76 Ų | 76 | 119.7 Ų | 119.7 | 78% | 0.784 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 122.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | P454 L458 | P454-G456 PolarHBondContact O-N 3.08Å; G456-L458 PolarHBondContact O-N 2.72Å |
| 457 | K | 46.5 | Very low | 49.6 | Very low | 203 Ų | 203 | 116.6 Ų | 116.6 | 88% | 0.883 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 126.3 | 172.9 | -62.2 | 177.9 | -179.6 | -178.6 | 0 | 107.8 | F455 S459 | F455-K457 PolarHBondContact O-N 3.07Å; K457-S459 PolarHBondContact O-N 3.06Å |
| 458 | L | 52.6 | Low | 50.8 | Low | 101 Ų | 101 | 115.5 Ų | 115.5 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -51 | 139.5 | 160.8 | -70.7 | 167.1 | 0 | 0 | 0 | 108.1 | G456 E462 | G456-L458 PolarHBondContact O-N 2.72Å; L458-E462 HydrophobicContact CB-CB 4.43Å; L458-E462 HydrophobicContact CD2-CB 4.25Å |
| 459 | S | 63.5 | Low | 52.2 | Low | 50 Ų | 50 | 109 Ų | 109 | 35% | 0.35 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -65 | 155.7 | 172.1 | 76.2 | 0 | 0 | 0 | 0 | 109.5 | K457 E461 E462 A463 | K457-S459 PolarHBondContact O-N 3.06Å; S459-E461 PolarHBondContact O-N 3.09Å; S459-E462 PolarHBondContact O-N 3.4Å; S459-E462 VanDerWaalsContact O-N 3.1Å; S459-E462 PolarHBondContact OG-N 2.93Å; S459-E462 VanDerWaalsContact OG-N 3.09Å; S459-A463 PolarHBondContact O-N 2.97Å; S459-A463 VanDerWaalsContact O-N 3.08Å |
| 460 | A | 63.2 | Low | 53.4 | Low | 75 Ų | 75 | 108 Ų | 108 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -56.7 | -35.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A463 E464 | A460-A463 PolarHBondContact O-N 3.48Å; A460-E464 WeakPolarHBondContact O-CB 3.49Å; A460-E464 WeakPolarHBondContact O-CG 3.45Å; A460-E464 PolarHBondContact O-N 3.4Å |
| 461 | E | 62.8 | Low | 54.7 | Low | 157 Ų | 157 | 109.6 Ų | 109.6 | 73% | 0.734 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.1 | -38.7 | 176.4 | -58.2 | 172.9 | 177.3 | 0 | 0 | 112.7 | S459 S465 | S459-E461 PolarHBondContact O-N 3.09Å; E461-S465 WeakPolarHBondContact O-CB 3.28Å; E461-S465 PolarHBondContact O-N 3.22Å |
| 462 | E | 56.1 | Low | 56 | Low | 77 Ų | 77 | 109.4 Ų | 109.4 | 36% | 0.36 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70 | -35.7 | 174.6 | -77.4 | -166.5 | 104.2 | 0 | 0 | 112.6 | K247 L458 S459 L466 | K247-E462 IonicContact NZ-OE1 2.76Å; K247-E462 PolarHBondContact NZ-OE1 3.23Å; L458-E462 HydrophobicContact CB-CB 4.43Å; L458-E462 HydrophobicContact CD2-CB 4.25Å; S459-E462 PolarHBondContact O-N 3.4Å; S459-E462 VanDerWaalsContact O-N 3.1Å; S459-E462 PolarHBondContact OG-N 2.93Å; S459-E462 VanDerWaalsContact OG-N 3.09Å; E462-L466 WeakPolarHBondContact O-CG 3.34Å; E462-L466 PolarHBondContact O-N 3.08Å |
| 463 | A | 65 | Low | 56.9 | Low | 41 Ų | 41 | 106.1 Ų | 106.1 | 34% | 0.339 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.8 | -48.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S459 A460 S465 L466 D467 | S459-A463 PolarHBondContact O-N 2.97Å; S459-A463 VanDerWaalsContact O-N 3.08Å; A460-A463 PolarHBondContact O-N 3.48Å; A463-S465 VanDerWaalsContact C-N 3.32Å; A463-S465 PolarHBondContact O-N 3.05Å; A463-L466 PolarHBondContact O-N 3.28Å; A463-D467 PolarHBondContact O-N 3.3Å |
| 464 | E | 64.5 | Low | 57.4 | Low | 126 Ų | 126 | 101.7 Ų | 101.7 | 59% | 0.589 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.9 | -35.5 | 176.4 | -74.2 | -173.7 | 174.6 | 0 | 0 | 112.5 | A460 D467 N468 | A460-E464 WeakPolarHBondContact O-CB 3.49Å; A460-E464 WeakPolarHBondContact O-CG 3.45Å; A460-E464 PolarHBondContact O-N 3.4Å; E464-D467 PolarHBondContact O-N 2.92Å; E464-N468 VanDerWaalsContact O-CB 3.26Å; E464-N468 WeakPolarHBondContact O-CB 3.37Å; E464-N468 VanDerWaalsContact O-CG 3.25Å; E464-N468 PolarHBondContact O-N 2.94Å; E464-N468 PolarHBondContact O-ND2 3.07Å |
| 465 | S | 68.2 | Low | 57.9 | Low | 81 Ų | 81 | 99 Ų | 99 | 57% | 0.566 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 174.5 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | E461 A463 L469 | E461-S465 WeakPolarHBondContact O-CB 3.28Å; E461-S465 PolarHBondContact O-N 3.22Å; A463-S465 VanDerWaalsContact C-N 3.32Å; A463-S465 PolarHBondContact O-N 3.05Å; S465-L469 WeakPolarHBondContact O-CB 3.19Å; S465-L469 PolarHBondContact O-N 3.1Å |
| 466 | L | 65 | Low | 58.2 | Low | 52 Ų | 52 | 91.3 Ų | 91.3 | 27% | 0.272 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.4 | -47.8 | 173.8 | -75 | 169.7 | 0 | 0 | 0 | 112 | E462 A463 N468 L469 F470 | E462-L466 WeakPolarHBondContact O-CG 3.34Å; E462-L466 PolarHBondContact O-N 3.08Å; A463-L466 PolarHBondContact O-N 3.28Å; L466-N468 VanDerWaalsContact C-N 3.32Å; L466-N468 PolarHBondContact O-N 3.47Å; L466-L469 PolarHBondContact O-N 2.69Å; L466-L469 VanDerWaalsContact O-N 3.15Å; L466-F470 HydrophobicContact CB-CD2 4.36Å; L466-F470 HydrophobicContact CB-CE2 4.2Å; L466-F470 HydrophobicContact CD2-CE2 4.39Å; L466-F470 WeakPolarHBondContact O-CD2 3.44Å; L466-F470 PolarHBondContact O-N 3.03Å |
| 467 | D | 66.6 | Low | 58.4 | Low | 105 Ų | 105 | 92.8 Ų | 92.8 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -38.6 | 179.2 | -82.7 | -25 | 0 | 0 | 0 | 112.5 | A463 E464 F470 R471 | A463-D467 PolarHBondContact O-N 3.3Å; E464-D467 PolarHBondContact O-N 2.92Å; D467-F470 PolarHBondContact O-N 2.61Å; D467-R471 WeakPolarHBondContact O-CB 3.46Å; D467-R471 WeakPolarHBondContact O-CG 3.37Å; D467-R471 PolarHBondContact O-N 2.96Å |
| 468 | N | 64.5 | Low | 58 | Low | 94 Ų | 94 | 87.3 Ų | 87.3 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 173.7 | -75.7 | -44.1 | 0 | 0 | 0 | 111.7 | E464 L466 R471 V472 | E464-N468 VanDerWaalsContact O-CB 3.26Å; E464-N468 WeakPolarHBondContact O-CB 3.37Å; E464-N468 VanDerWaalsContact O-CG 3.25Å; E464-N468 PolarHBondContact O-N 2.94Å; E464-N468 PolarHBondContact O-ND2 3.07Å; L466-N468 VanDerWaalsContact C-N 3.32Å; L466-N468 PolarHBondContact O-N 3.47Å; N468-R471 PolarHBondContact O-N 3.29Å; N468-V472 WeakPolarHBondContact O-CG2 3.07Å; N468-V472 PolarHBondContact O-N 2.76Å |
| 469 | L | 62.7 | Low | 57.3 | Low | 77 Ų | 77 | 85.9 Ų | 85.9 | 40% | 0.403 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 175.3 | -172.1 | 66.9 | 0 | 0 | 0 | 111.7 | W246 S465 L466 R471 V472 V473 | W246-L469 HydrophobicContact CE3-CD2 3.82Å; W246-L469 HydrophobicContact CZ3-CD2 4.07Å; W246-L469 HydrophobicContact CZ3-CG 4.28Å; S465-L469 WeakPolarHBondContact O-CB 3.19Å; S465-L469 PolarHBondContact O-N 3.1Å; L466-L469 PolarHBondContact O-N 2.69Å; L466-L469 VanDerWaalsContact O-N 3.15Å; L469-R471 VanDerWaalsContact C-N 3.33Å; L469-R471 PolarHBondContact O-N 3.4Å; L469-V472 PolarHBondContact O-N 2.89Å; L469-V473 WeakPolarHBondContact O-CG2 3.35Å; L469-V473 PolarHBondContact O-N 2.93Å |
| 470 | F | 59.2 | Low | 56 | Low | 92 Ų | 92 | 90.8 Ų | 90.8 | 40% | 0.404 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 175.5 | -74.8 | -60 | 0 | 0 | 0 | 112.2 | V266 L466 D467 S474 | V266-F470 HydrophobicContact CG1-CE1 4.2Å; L466-F470 HydrophobicContact CB-CD2 4.36Å; L466-F470 HydrophobicContact CB-CE2 4.2Å; L466-F470 HydrophobicContact CD2-CE2 4.39Å; L466-F470 WeakPolarHBondContact O-CD2 3.44Å; L466-F470 PolarHBondContact O-N 3.03Å; D467-F470 PolarHBondContact O-N 2.61Å; F470-S474 WeakPolarHBondContact O-CB 3.25Å; F470-S474 PolarHBondContact O-N 2.8Å; F470-S474 PolarHBondContact O-OG 3.1Å |
| 471 | R | 61.2 | Low | 54.7 | Low | 188 Ų | 188 | 92.3 Ų | 92.3 | 71% | 0.709 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64 | -47.4 | 172.7 | -81.5 | 180 | 167.4 | -150.7 | -3.2 | 112.5 | D467 N468 L469 V473 S474 S475 | D467-R471 WeakPolarHBondContact O-CB 3.46Å; D467-R471 WeakPolarHBondContact O-CG 3.37Å; D467-R471 PolarHBondContact O-N 2.96Å; N468-R471 PolarHBondContact O-N 3.29Å; L469-R471 VanDerWaalsContact C-N 3.33Å; L469-R471 PolarHBondContact O-N 3.4Å; R471-V473 VanDerWaalsContact C-N 3.33Å; R471-V473 PolarHBondContact O-N 3.48Å; R471-S474 PolarHBondContact O-N 3.15Å; R471-S475 WeakPolarHBondContact O-CB 3.47Å; R471-S475 PolarHBondContact O-N 3.24Å; R471-S475 PolarHBondContact O-OG 3.47Å |
| 472 | V | 58.6 | Low | 53.2 | Low | 94 Ų | 94 | 93.7 Ų | 93.7 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.9 | -47.7 | 177.4 | 169 | 0 | 0 | 0 | 0 | 110.4 | N468 L469 S474 S475 G476 | N468-V472 WeakPolarHBondContact O-CG2 3.07Å; N468-V472 PolarHBondContact O-N 2.76Å; L469-V472 PolarHBondContact O-N 2.89Å; V472-S474 VanDerWaalsContact C-N 3.33Å; V472-S474 PolarHBondContact O-N 3.2Å; V472-S475 WeakPolarHBondContact CA-OG 3.45Å; V472-S475 PolarHBondContact O-N 3.32Å; V472-S475 PolarHBondContact O-OG 3.21Å; V472-G476 PolarHBondContact O-N 3.16Å |
| 473 | V | 53.2 | Low | 52.1 | Low | 34 Ų | 34 | 95.4 Ų | 95.4 | 21% | 0.206 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -64.7 | -35.4 | 179.6 | 174.6 | 0 | 0 | 0 | 0 | 112.5 | W246 L469 R471 Q477 | W246-V473 HydrophobicContact CH2-CB 4.45Å; W246-V473 HydrophobicContact CH2-CG1 4.22Å; W246-V473 HydrophobicContact CH2-CG2 3.46Å; W246-V473 VanDerWaalsContact CH2-CG2 3.46Å; W246-V473 HydrophobicContact CZ2-CG2 4.4Å; W246-V473 HydrophobicContact CZ3-CG2 4.02Å; L469-V473 WeakPolarHBondContact O-CG2 3.35Å; L469-V473 PolarHBondContact O-N 2.93Å; R471-V473 VanDerWaalsContact C-N 3.33Å; R471-V473 PolarHBondContact O-N 3.48Å; V473-Q477 PolarHBondContact O-N 3.01Å; V473-Q477 PolarHBondContact O-NE2 3.34Å |
| 474 | S | 51.8 | Low | 50.7 | Low | 83 Ų | 83 | 98.4 Ų | 98.4 | 58% | 0.58 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.9 | -39.3 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | F470 R471 V472 Q477 | F470-S474 WeakPolarHBondContact O-CB 3.25Å; F470-S474 PolarHBondContact O-N 2.8Å; F470-S474 PolarHBondContact O-OG 3.1Å; R471-S474 PolarHBondContact O-N 3.15Å; V472-S474 VanDerWaalsContact C-N 3.33Å; V472-S474 PolarHBondContact O-N 3.2Å; S474-Q477 PolarHBondContact O-N 3.19Å |
| 475 | S | 49.9 | Very low | 49 | Very low | 68 Ų | 68 | 97.8 Ų | 97.8 | 48% | 0.476 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71 | -35.6 | 176.1 | 65.4 | 0 | 0 | 0 | 0 | 113.1 | R471 V472 Q477 S478 | R471-S475 WeakPolarHBondContact O-CB 3.47Å; R471-S475 PolarHBondContact O-N 3.24Å; R471-S475 PolarHBondContact O-OG 3.47Å; V472-S475 WeakPolarHBondContact CA-OG 3.45Å; V472-S475 PolarHBondContact O-N 3.32Å; V472-S475 PolarHBondContact O-OG 3.21Å; S475-Q477 PolarHBondContact O-N 3.01Å; S475-S478 PolarHBondContact O-N 3.19Å; S475-S478 PolarHBondContact O-OG 3.3Å; S475-S478 VanDerWaalsContact O-OG 3.09Å |
| 476 | G | 44 | Very low | 47.6 | Very low | 44 Ų | 44 | 102.1 Ų | 102.1 | 45% | 0.454 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.7 | -20.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V472 | V472-G476 PolarHBondContact O-N 3.16Å |
| 477 | Q | 46.4 | Very low | 46.1 | Very low | 107 Ų | 107 | 102.7 Ų | 102.7 | 50% | 0.5 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.3 | -2.7 | 175.3 | -72.6 | 178.4 | 55.8 | 0 | 0 | 113.9 | V473 S474 S475 | V473-Q477 PolarHBondContact O-N 3.01Å; V473-Q477 PolarHBondContact O-NE2 3.34Å; S474-Q477 PolarHBondContact O-N 3.19Å; S475-Q477 PolarHBondContact O-N 3.01Å |
| 478 | S | 39 | Very low | 44.7 | Very low | 88 Ų | 88 | 106.7 Ų | 106.7 | 62% | 0.615 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -108.3 | -4.1 | 176.8 | 66.4 | 0 | 0 | 0 | 0 | 114.9 | S475 | S475-S478 PolarHBondContact O-N 3.19Å; S475-S478 PolarHBondContact O-OG 3.3Å; S475-S478 VanDerWaalsContact O-OG 3.09Å |
| 479 | A | 37.7 | Very low | 43.1 | Very low | 71 Ų | 71 | 107.8 Ų | 107.8 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -90.2 | -28.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S481 | A479-S481 VanDerWaalsContact C-N 3.32Å; A479-S481 PolarHBondContact O-N 3.18Å; A479-S481 VanDerWaalsContact O-N 3.17Å |
| 480 | D | 35.7 | Very low | 41.9 | Very low | 153 Ų | 153 | 111.9 Ų | 111.9 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 39.1 | -172.6 | -68.8 | -31.8 | 0 | 0 | 0 | 114 | | |
| 481 | S | 36.5 | Very low | 40.7 | Very low | 107 Ų | 107 | 116.5 Ų | 116.5 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.2 | 13.8 | -177.8 | -63.8 | 0 | 0 | 0 | 0 | 115.9 | A479 | A479-S481 VanDerWaalsContact C-N 3.32Å; A479-S481 PolarHBondContact O-N 3.18Å; A479-S481 VanDerWaalsContact O-N 3.17Å |
| 482 | Q | 32.3 | Very low | 39.6 | Very low | 186 Ų | 186 | 112.3 Ų | 112.3 | 87% | 0.869 | 69% | 0.687 | S | S | * | * | | | trans | -139.9 | 73.8 | 179.1 | -64.8 | -168.3 | 12.4 | 0 | 0 | 113.5 | | |
| 483 | S | 32.3 | Very low | 38.6 | Very low | 112 Ų | 112 | 115.6 Ų | 115.6 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | | | trans | -178.2 | 134.1 | 169.1 | 169 | 0 | 0 | 0 | 0 | 107.6 | | |
| 484 | T | 34.4 | Very low | 37.6 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | | | cis | -145.3 | 119.2 | -5.8 | -82 | 0 | 0 | 0 | 0 | 107.5 | M486 | T484-M486 HydrophobicContact CG2-CB 4.39Å; T484-M486 HydrophobicContact CG2-CG 4.47Å; T484-M486 PolarHBondContact O-N 2.98Å |
| 485 | A | 30.2 | Very low | 37 | Very low | 112 Ų | 112 | 120.9 Ų | 120.9 | 93% | 0.926 | 74% | 0.738 | S | S | * | * | | | trans | -97.6 | 68.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 486 | M | 38.9 | Very low | 36.4 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | | | trans | -134.9 | 142 | 164.1 | -58 | -157.2 | -150 | 0 | 0 | 107.6 | T484 | T484-M486 HydrophobicContact CG2-CB 4.39Å; T484-M486 HydrophobicContact CG2-CG 4.47Å; T484-M486 PolarHBondContact O-N 2.98Å |
| 487 | G | 32.6 | Very low | 36.3 | Very low | 64 Ų | 64 | 130 Ų | 130 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | cis | 157.1 | 44 | 7.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 488 | H | 37.1 | Very low | 36 | Very low | 189 Ų | 189 | 129.9 Ų | 129.9 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | | | trans | -133.2 | 106 | -178.6 | -74.3 | -80.9 | 0 | 0 | 0 | 111.4 | | |
| 489 | S | 30.8 | Very low | 36.1 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -112.5 | 112.1 | 164.3 | -173.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 490 | L | 38.5 | Very low | 36.4 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | | | trans | -110.1 | 139.5 | 168.9 | -82 | 176.3 | 0 | 0 | 0 | 109.8 | | |
| 491 | Q | 33.8 | Very low | 36.6 | Very low | 188 Ų | 188 | 130.6 Ų | 130.6 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -86.8 | 132.8 | -164.2 | -60.2 | 157.4 | -63.3 | 0 | 0 | 112.1 | | |
| 492 | S | 37 | Very low | 36.8 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | | | trans | -163 | 102.3 | 143 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 493 | D | 38.7 | Very low | 37.5 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | | | | -179.1 | 147.9 | 112 | -87.9 | -20.7 | 0 | 0 | 0 | 111.9 | | |
| 494 | C | 32.5 | Very low | 38.1 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | | | trans | -91.9 | 174.6 | -164.6 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 495 | S | 37.7 | Very low | 38.4 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | | | trans | 82.7 | 108.3 | 168.1 | 76.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 496 | N | 38.3 | Very low | 39.1 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | | | | -153.5 | 158.9 | 112.5 | -105.4 | -59.6 | 0 | 0 | 0 | 112.1 | | |
| 497 | V | 40.9 | Very low | 39.2 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | | | trans | -108 | 140.6 | -161.3 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 498 | A | 40.5 | Very low | 40.2 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | | | trans | -160.9 | 138.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 499 | G | 42.5 | Very low | 41 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | | | trans | 142.3 | 82.1 | 170 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 500 | D | 43 | Very low | 42 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 94% | 0.941 | 81% | 0.813 | S | S | * | * | | | trans | -63.1 | 158.2 | 171.3 | -78.6 | -64.2 | 0 | 0 | 0 | 113.7 | | |
| 501 | G | 40.8 | Very low | 42.6 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | | | trans | 173.3 | 32.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 502 | C | 40.4 | Very low | 43.2 | Very low | 127 Ų | 127 | 128 Ų | 128 | 86% | 0.858 | 81% | 0.805 | S | S | * | * | | | trans | 48.4 | 131.2 | 153.7 | -79.7 | 0 | 0 | 0 | 0 | 124 | | |
| 503 | S | 45.9 | Very low | 44.2 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | trans | 98.2 | 95.7 | 137.2 | -59.6 | 0 | 0 | 0 | 0 | 122.9 | | |
| 504 | K | 45 | Very low | 44.9 | Very low | 213 Ų | 213 | 126.4 Ų | 126.4 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | | | | 56.9 | 140.1 | 125.7 | -68.2 | -174.5 | 174.8 | -176.9 | 0 | 123.7 | | |
| 505 | G | 40.9 | Very low | 45.7 | Very low | 63 Ų | 63 | 129.2 Ų | 129.2 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | | | trans | 105.9 | 115.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 506 | E | 44.7 | Very low | 45.9 | Very low | 193 Ų | 193 | 129.1 Ų | 129.1 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | | 55.6 | 127.3 | 73.4 | -66 | -178.9 | 117.2 | 0 | 0 | 111.8 | | |
| 507 | E | 40.9 | Very low | 46.3 | Very low | 184 Ų | 184 | 127.4 Ų | 127.4 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | cis | -152.4 | -174.5 | 21.3 | -151.5 | -174.8 | 128.3 | 0 | 0 | 112.1 | | |
| 508 | A | 53.8 | Low | 46.4 | Very low | 82 Ų | 82 | 131 Ų | 131 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -87.7 | -154.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 509 | P | 53.5 | Low | 46.2 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | | | cis | -139.5 | 165.6 | -42.9 | 33.5 | -15.2 | 0 | 0 | 0 | 116.9 | | |
| 510 | K | 51.9 | Low | 46.1 | Very low | 195 Ų | 195 | 134.3 Ų | 134.3 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | | | trans | 66.5 | 172.8 | 140.2 | -80.4 | 173.3 | -176.8 | 176.1 | 0 | 120.7 | | |
| 511 | P | 52.8 | Low | 46 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | cis | -138.3 | 176.1 | -37 | 37.6 | -20.7 | 0 | 0 | 0 | 115.4 | | |
| 512 | G | 45 | Very low | 45.7 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | 132.8 | 118.3 | 146.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 513 | P | 58.1 | Low | 45.8 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | trans | -106 | -176.6 | 169.7 | 44.6 | -35.7 | 0 | 0 | 0 | 111.5 | | |
| 514 | P | 53.7 | Low | 45.6 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | | -158.7 | 163.1 | 81 | 43 | -21.9 | 0 | 0 | 0 | 119.6 | | |
| 515 | E | 49.4 | Very low | 45.3 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | | | trans | 69.1 | 150.8 | 134 | -76.9 | 176.5 | -175 | 0 | 0 | 127.4 | | |
| 516 | S | 42.7 | Very low | 45.4 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | 89.5 | 134.6 | 148.6 | -163.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 517 | M | 46.4 | Very low | 45.2 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 64% | 0.64 | 77% | 0.772 | S | S | * | * | | | cis | -172.1 | 153.3 | -33.9 | -131.3 | -167.7 | -61 | 0 | 0 | 108.8 | | |
| 518 | R | 41.9 | Very low | 45 | Very low | 213 Ų | 213 | 127.9 Ų | 127.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | 66.4 | 116.4 | 160 | -58.1 | 160.4 | -170.9 | -137.2 | -2 | 115.6 | | |
| 519 | S | 37.2 | Very low | 44.4 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | | 62.2 | 105.5 | 50.4 | -163.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 520 | L | 40.1 | Very low | 43.7 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | | 179.2 | 130.8 | 105.8 | -91.3 | 166.3 | 0 | 0 | 0 | 111.5 | | |
| 521 | V | 40.6 | Very low | 43.4 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | trans | 49.2 | 128.1 | 137.8 | 176.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 522 | G | 35.2 | Very low | 43.1 | Very low | 67 Ų | 67 | 128.4 Ų | 128.4 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | | | trans | 158 | 78.7 | 135.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 523 | A | 42.8 | Very low | 43.1 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | | 61.6 | 118.7 | 123.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 524 | E | 41.3 | Very low | 42.4 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | | | trans | 70.4 | 101.5 | 139.5 | -52.1 | -62.1 | 132.4 | 0 | 0 | 120.5 | | |
| 525 | G | 39.3 | Very low | 41.8 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | | 110.2 | 135.7 | 108.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 526 | P | 41.7 | Very low | 41.1 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | trans | -97.7 | 160.4 | -166.1 | 38.5 | -35.8 | 0 | 0 | 0 | 114.1 | | |
| 527 | L | 39.9 | Very low | 40.8 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | | | trans | -131.9 | 142.8 | 160.4 | -76.4 | 176.1 | 0 | 0 | 0 | 110.8 | | |
| 528 | D | 37.2 | Very low | 40.4 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | -64.9 | -176.2 | -179.2 | -67.8 | -66.3 | 0 | 0 | 0 | 114.3 | | |
| 529 | I | 42 | Very low | 40.2 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 82% | 0.821 | 79% | 0.785 | S | S | * | * | | | trans | 102.8 | 116.5 | 164.9 | -56.7 | 158.9 | 0 | 0 | 0 | 111.9 | | |
| 530 | S | 38.8 | Very low | 40 | Very low | 81 Ų | 81 | 132 Ų | 132 | 57% | 0.566 | 78% | 0.781 | S | S | * | * | | | cis | -168.2 | 177.6 | -3.3 | 41.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 531 | D | 45.5 | Very low | 39.6 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | 108.6 | 139.3 | 143 | -55.2 | -43.8 | 0 | 0 | 0 | 122.3 | | |
| 532 | D | 47.3 | Very low | 39.2 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | trans | 79.9 | 78.1 | 158 | -57.7 | -37.8 | 0 | 0 | 0 | 122.8 | | |
| 533 | E | 44.5 | Very low | 39.1 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | | 47.1 | 115.6 | 109.1 | -55.7 | -84.4 | 94.1 | 0 | 0 | 120.2 | | |
| 534 | S | 43.1 | Very low | 39.3 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | | | trans | -161.8 | 140.6 | 136.2 | 35.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 535 | E | 40.3 | Very low | 38.9 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | -84.7 | 157.8 | -156.9 | -69.7 | -174.6 | 113.9 | 0 | 0 | 116.9 | | |
| 536 | V | 35.4 | Very low | 38.5 | Very low | 141 Ų | 141 | 144 Ų | 144 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | -91 | 124.6 | 167.6 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 537 | V | 36.5 | Very low | 38.2 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | | | trans | -130.6 | 140 | 165.1 | -170.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 538 | A | 37.1 | Very low | 37.6 | Very low | 76 Ų | 76 | 140.7 Ų | 140.7 | 63% | 0.628 | 77% | 0.767 | S | S | * | * | | | trans | -84.8 | 152.1 | -157.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | V540 | A538-V540 PolarHBondContact O-N 3.2Š|
| 539 | N | 37.7 | Very low | 37.3 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 91% | 0.914 | 76% | 0.764 | S | S | * | * | | | trans | -63.5 | 102.8 | 159 | -78.1 | 13.1 | 0 | 0 | 0 | 109.5 | E541 | N539-E541 PolarHBondContact O-N 3.17Š|
| 540 | V | 34.4 | Very low | 36.6 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | | | trans | -82.9 | 106.3 | 171.8 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | A538 W542 | A538-V540 PolarHBondContact O-N 3.2Å; V540-W542 PolarHBondContact O-N 3.44Å |
| 541 | E | 32 | Very low | 36.4 | Very low | 146 Ų | 146 | 139 Ų | 139 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | | | trans | -68.3 | 111.3 | 171.7 | -175.2 | -174.4 | 153.4 | 0 | 0 | 110.4 | N539 K543 | N539-E541 PolarHBondContact O-N 3.17Å; E541-K543 PolarHBondContact O-N 3.32Å; E541-K543 IonicContact OE1-NZ 2.69Å; E541-K543 PolarHBondContact OE1-NZ 3.21Å |
| 542 | W | 30.5 | Very low | 35.5 | Very low | 226 Ų | 226 | 139.6 Ų | 139.6 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | trans | -87.1 | 101.6 | 174.5 | -81.1 | 87.2 | 0 | 0 | 0 | 111.4 | V540 | V540-W542 PolarHBondContact O-N 3.44Š|
| 543 | K | 33.7 | Very low | 34.6 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 70% | 0.704 | 78% | 0.775 | S | S | * | * | | | trans | -100.8 | 114.5 | 159.7 | -82.2 | -165.5 | 176.5 | 78.3 | 0 | 110.3 | E541 | E541-K543 PolarHBondContact O-N 3.32Å; E541-K543 IonicContact OE1-NZ 2.69Å; E541-K543 PolarHBondContact OE1-NZ 3.21Å |
| 544 | P | 46.4 | Very low | 33.8 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | | | trans | -77.5 | 159.4 | 164 | 32 | -32.6 | 0 | 0 | 0 | 111.6 | | |
| 545 | P | 34 | Very low | 33.4 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | trans | -109.8 | 130.2 | -159 | 7.2 | 16.3 | 0 | 0 | 0 | 115.1 | | |
| 546 | F | 30.7 | Very low | 32.8 | Very low | 202 Ų | 202 | 129.8 Ų | 129.8 | 89% | 0.886 | 76% | 0.762 | S | S | * | * | | | trans | 60.2 | 170.2 | 156.7 | -57.9 | -69.5 | 0 | 0 | 0 | 118.4 | | |
| 547 | P | 36.1 | Very low | 32.7 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | | | cis | -114 | 155 | -14.6 | 37.6 | -25.4 | 0 | 0 | 0 | 113.6 | V549 | P547-V549 PolarHBondContact O-N 3.36Å; P547-V549 VanDerWaalsContact O-N 3.15Å |
| 548 | S | 26.7 | Very low | 32.4 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -72.5 | 100.5 | 170.2 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | S550 | S548-S550 PolarHBondContact O-N 3.24Š|
| 549 | V | 30.4 | Very low | 32.4 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | | | trans | -79 | 96.7 | 167.3 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | P547 T551 | P547-V549 PolarHBondContact O-N 3.36Å; P547-V549 VanDerWaalsContact O-N 3.15Å; V549-T551 HydrophobicContact CG1-CG2 4.3Å; V549-T551 PolarHBondContact O-N 3.16Å |
| 550 | S | 27.1 | Very low | 32 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -79.6 | 87.1 | 171.8 | 164.3 | 0 | 0 | 0 | 0 | 110.6 | S548 N552 | S548-S550 PolarHBondContact O-N 3.24Å; S550-N552 PolarHBondContact O-N 3.2Å |
| 551 | T | 34.2 | Very low | 32.3 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | -79.1 | 92.3 | 160.2 | 40.8 | 0 | 0 | 0 | 0 | 109.6 | V549 | V549-T551 HydrophobicContact CG1-CG2 4.3Å; V549-T551 PolarHBondContact O-N 3.16Å |
| 552 | N | 26.7 | Very low | 32.5 | Very low | 146 Ų | 146 | 126 Ų | 126 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | | | trans | -81.8 | 166.9 | 171.7 | -160.8 | -1.2 | 0 | 0 | 0 | 110.6 | S550 | S550-N552 PolarHBondContact O-N 3.2Š|
| 553 | A | 30.1 | Very low | 33.3 | Very low | 94 Ų | 94 | 120.6 Ų | 120.6 | 78% | 0.777 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 68 | 107.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 554 | G | 27.7 | Very low | 33.9 | Very low | 73 Ų | 73 | 118.8 Ų | 118.8 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | | | trans | -83.3 | 162.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 555 | N | 33.6 | Very low | 34.3 | Very low | 141 Ų | 141 | 116.1 Ų | 116.1 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | | | trans | -144.2 | 127.7 | 149.4 | -97.8 | -38 | 0 | 0 | 0 | 108.9 | Y557 | N555-Y557 HydrophobicContact CB-CE2 3.98Š|
| 556 | S | 28 | Very low | 35.2 | Very low | 111 Ų | 111 | 115 Ų | 115 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | | | trans | -81 | 122.3 | -179.9 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 557 | Y | 33.4 | Very low | 36.1 | Very low | 194 Ų | 194 | 109.5 Ų | 109.5 | 76% | 0.761 | 66% | 0.661 | S | S | * | * | | | trans | -128.1 | 127.3 | 164.8 | -67.1 | -71.1 | 0 | 0 | 0 | 110.5 | N555 L559 | N555-Y557 HydrophobicContact CB-CE2 3.98Å; Y557-L559 PolarHBondContact O-N 3.02Å |
| 558 | P | 30.2 | Very low | 36.6 | Very low | 124 Ų | 124 | 112.3 Ų | 112.3 | 81% | 0.805 | 67% | 0.667 | S | S | * | * | | | trans | -86.3 | 98.5 | -179.1 | 33.1 | -31.5 | 0 | 0 | 0 | 110.2 | A560 | P558-A560 VanDerWaalsContact C-N 3.27Å; P558-A560 PolarHBondContact O-N 3.31Å |
| 559 | L | 36.1 | Very low | 37.5 | Very low | 145 Ų | 145 | 113.1 Ų | 113.1 | 76% | 0.759 | 66% | 0.658 | S | S | * | * | | | trans | -78 | 79.6 | 172 | -87 | 164.5 | 0 | 0 | 0 | 111 | Y557 N561 | Y557-L559 PolarHBondContact O-N 3.02Å; L559-N561 HydrophobicContact CD2-CB 4.25Å; L559-N561 PolarHBondContact O-N 2.71Å |
| 560 | A | 30.7 | Very low | 37.8 | Very low | 97 Ų | 97 | 112 Ų | 112 | 80% | 0.802 | 67% | 0.67 | S | S | * | * | | | trans | -82.1 | 47.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P558 | P558-A560 VanDerWaalsContact C-N 3.27Å; P558-A560 PolarHBondContact O-N 3.31Å |
| 561 | N | 39.8 | Very low | 38.2 | Very low | 93 Ų | 93 | 110.1 Ų | 110.1 | 50% | 0.497 | 67% | 0.666 | S | S | . | * | | | trans | -111.1 | 129.6 | 173.5 | -73.3 | -13.2 | 0 | 0 | 0 | 108 | L559 L563 | L559-N561 HydrophobicContact CD2-CB 4.25Å; L559-N561 PolarHBondContact O-N 2.71Å; N561-L563 PolarHBondContact O-N 2.94Å |
| 562 | G | 36.4 | Very low | 38.2 | Very low | 41 Ų | 41 | 111.5 Ų | 111.5 | 42% | 0.423 | 67% | 0.668 | S | S | . | * | | | trans | -60.4 | 139 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L272 | L272-G562 WeakPolarHBondContact CD1-O 3.19Å; L272-G562 WeakPolarHBondContact CG-O 3.35Å |
| 563 | L | 46.6 | Very low | 38.5 | Very low | 111 Ų | 111 | 112.5 Ų | 112.5 | 58% | 0.581 | 67% | 0.67 | S | S | * | * | | | trans | -117.6 | 124.1 | 166.9 | -79.9 | 171.1 | 0 | 0 | 0 | 106.6 | L269 N561 | L269-L563 HydrophobicContact CB-CD2 4.5Å; L269-L563 HydrophobicContact CD1-CD1 4.44Å; L269-L563 HydrophobicContact CD2-CB 3.99Å; N561-L563 PolarHBondContact O-N 2.94Å |
| 564 | F | 46.9 | Very low | 38.8 | Very low | 125 Ų | 125 | 115.9 Ų | 115.9 | 55% | 0.548 | 67% | 0.672 | S | S | . | * | | | trans | -103.3 | 122.1 | 179.6 | -161 | -92.1 | 0 | 0 | 0 | 109 | N566 | F564-N566 WeakPolarHBondContact CE1-OD1 3.45Š|
| 565 | M | 55.2 | Low | 39.2 | Very low | 59 Ų | 59 | 119.1 Ų | 119.1 | 29% | 0.291 | 67% | 0.672 | S | S | . | * | | | trans | -92.4 | 121.5 | 170.7 | -78 | -171.8 | 168.8 | 0 | 0 | 109.8 | V256 V258 L269 F567 | V256-M565 HydrophobicContact CB-CE 4.34Å; V256-M565 HydrophobicContact CG1-CE 4.21Å; V258-M565 HydrophobicContact CG2-CE 3.7Å; V258-M565 HydrophobicContact CG2-SD 4.03Å; L269-M565 HydrophobicContact CD1-CE 3.84Å; L269-M565 HydrophobicContact CD2-CB 4.4Å; L269-M565 HydrophobicContact CD2-CE 3.86Å; L269-M565 HydrophobicContact CD2-CG 3.32Å; L269-M565 HydrophobicContact CD2-SD 4.46Å; L269-M565 HydrophobicContact CG-CE 3.84Å; L269-M565 HydrophobicContact CG-CG 4.12Å; M565-F567 HydrophobicContact CB-CD2 4.45Å; M565-F567 HydrophobicContact CB-CE1 4.45Å; M565-F567 HydrophobicContact CB-CE2 4.09Å; M565-F567 HydrophobicContact CB-CZ 4.11Å; M565-F567 HydrophobicContact CG-CZ 4.41Å; M565-F567 HydrophobicContact SD-CE1 3.85Å; M565-F567 HydrophobicContact SD-CE2 4.24Å; M565-F567 HydrophobicContact SD-CZ 3.45Å; M565-F567 WeakPolarHBondContact SD-CZ 3.4Å |
| 566 | N | 52.4 | Low | 39.8 | Very low | 79 Ų | 79 | 118.4 Ų | 118.4 | 42% | 0.422 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 111.1 | 161.5 | -74.8 | -49.4 | 0 | 0 | 0 | 108.9 | G267 F564 | G267-N566 VanDerWaalsContact CA-O 3.28Å; G267-N566 WeakPolarHBondContact CA-O 3.26Å; F564-N566 WeakPolarHBondContact CE1-OD1 3.45Å |
| 567 | F | 50.7 | Low | 40 | Very low | 88 Ų | 88 | 116.2 Ų | 116.2 | 39% | 0.386 | 67% | 0.67 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 100.3 | 174.4 | -71.5 | -57.5 | 0 | 0 | 0 | 111.1 | Y265 M565 H569 | Y265-F567 VanDerWaalsContact CB-CE1 3.48Å; Y265-F567 HydrophobicContact CD1-CD1 4.45Å; Y265-F567 HydrophobicContact CG-CD1 4.35Å; Y265-F567 HydrophobicContact CG-CE1 4.34Å; M565-F567 HydrophobicContact CB-CD2 4.45Å; M565-F567 HydrophobicContact CB-CE1 4.45Å; M565-F567 HydrophobicContact CB-CE2 4.09Å; M565-F567 HydrophobicContact CB-CZ 4.11Å; M565-F567 HydrophobicContact CG-CZ 4.41Å; M565-F567 HydrophobicContact SD-CE1 3.85Å; M565-F567 HydrophobicContact SD-CE2 4.24Å; M565-F567 HydrophobicContact SD-CZ 3.45Å; M565-F567 WeakPolarHBondContact SD-CZ 3.4Å; F567-H569 PolarHBondContact O-N 3.42Å |
| 568 | M | 46.3 | Very low | 39.9 | Very low | 167 Ų | 167 | 115.3 Ų | 115.3 | 82% | 0.823 | 68% | 0.676 | S | S | * | * | | | trans | -74.6 | 104.5 | 168.8 | -67.1 | -78.6 | -106.2 | 0 | 0 | 108.6 | | |
| 569 | H | 45.1 | Very low | 40.2 | Very low | 135 Ų | 135 | 116.2 Ų | 116.2 | 63% | 0.625 | 68% | 0.679 | S | S | * | * | | | trans | -74.3 | 135.6 | 163.9 | -75.5 | 67.7 | 0 | 0 | 0 | 108.4 | Y265 F567 G571 | Y265-H569 AromaticContact CE1-CE1 3.84Å; Y265-H569 AromaticContact CE1-NE2 3.57Å; F567-H569 PolarHBondContact O-N 3.42Å; H569-G571 VanDerWaalsContact C-N 3.32Å; H569-G571 PolarHBondContact O-N 3.23Å |
| 570 | G | 37.2 | Very low | 40.1 | Very low | 95 Ų | 95 | 112 Ų | 112 | 98% | 0.979 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -64 | 89.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 571 | G | 34.5 | Very low | 40.2 | Very low | 62 Ų | 62 | 115.8 Ų | 115.8 | 64% | 0.639 | 68% | 0.678 | S | S | * | * | | | trans | -149.3 | 139.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | H569 M573 | H569-G571 VanDerWaalsContact C-N 3.32Å; H569-G571 PolarHBondContact O-N 3.23Å; G571-M573 PolarHBondContact O-N 3.45Å |
| 572 | L | 34.2 | Very low | 39.8 | Very low | 161 Ų | 161 | 114.4 Ų | 114.4 | 84% | 0.843 | 69% | 0.685 | S | S | * | * | | | trans | -54.4 | 133.5 | -167.1 | -63.6 | 166 | 0 | 0 | 0 | 112.8 | M574 | L572-M574 PolarHBondContact O-N 3.38Š|
| 573 | M | 33.7 | Very low | 39.7 | Very low | 167 Ų | 167 | 119.8 Ų | 119.8 | 82% | 0.823 | 70% | 0.704 | S | S | * | * | | | trans | -56.6 | 127.8 | 171.1 | -84.2 | 164.8 | 49.5 | 0 | 0 | 110.9 | G571 | G571-M573 PolarHBondContact O-N 3.45Š|
| 574 | M | 37.3 | Very low | 39 | Very low | 165 Ų | 165 | 120.2 Ų | 120.2 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | | | trans | -112.7 | 121 | 153.6 | -66.5 | 106.9 | 179.3 | 0 | 0 | 108 | L572 P576 | L572-M574 PolarHBondContact O-N 3.38Å; M574-P576 WeakPolarHBondContact O-CD 3.28Å |
| 575 | D | 34.7 | Very low | 38.4 | Very low | 141 Ų | 141 | 119.6 Ų | 119.6 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | | | trans | -65.2 | 123.4 | 174.4 | -70.1 | -51.7 | 0 | 0 | 0 | 110.8 | G577 | D575-G577 PolarHBondContact O-N 3.16Š|
| 576 | P | 45.8 | Very low | 37.3 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | | | trans | -81.9 | 95.5 | 166.9 | 30.2 | -26.5 | 0 | 0 | 0 | 109.1 | M574 | M574-P576 WeakPolarHBondContact O-CD 3.28Š|
| 577 | G | 33.3 | Very low | 36.5 | Very low | 65 Ų | 65 | 124.8 Ų | 124.8 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | | | trans | -58.5 | 150.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | D575 V579 | D575-G577 PolarHBondContact O-N 3.16Å; G577-V579 PolarHBondContact O-N 3.38Å |
| 578 | I | 30.8 | Very low | 35.5 | Very low | 175 Ų | 175 | 124.6 Ų | 124.6 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | | | trans | -52.9 | 123.1 | -178.9 | -63.6 | 159.1 | 0 | 0 | 0 | 112 | | |
| 579 | V | 36.2 | Very low | 34.9 | Very low | 143 Ų | 143 | 119.7 Ų | 119.7 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | | | trans | -132.9 | 117.3 | 157.8 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | G577 | G577-V579 PolarHBondContact O-N 3.38Š|
| 580 | G | 33.7 | Very low | 34.4 | Very low | 57 Ų | 57 | 119.5 Ų | 119.5 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | | | trans | -98.2 | 166.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 581 | N | 33.1 | Very low | 34.4 | Very low | 175 Ų | 175 | 123.1 Ų | 123.1 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | | | trans | 41.1 | 115.7 | 150.8 | -61.5 | -3.6 | 0 | 0 | 0 | 119.5 | | |
| 582 | G | 31.7 | Very low | 34.4 | Very low | 64 Ų | 64 | 125.1 Ų | 125.1 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | | | trans | -171.8 | 100.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 583 | N | 35.4 | Very low | 34.6 | Very low | 154 Ų | 154 | 126.5 Ų | 126.5 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | 105.5 | 107.6 | 150.8 | -53.8 | -26.6 | 0 | 0 | 0 | 117.6 | | |
| 584 | T | 31.4 | Very low | 34.8 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | | 72.6 | 122.3 | 73.4 | -47.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 585 | V | 34.2 | Very low | 34.8 | Very low | 113 Ų | 113 | 121 Ų | 121 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | | 178.8 | 125.6 | 96.9 | 153.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 586 | I | 31.9 | Very low | 34.8 | Very low | 170 Ų | 170 | 123.2 Ų | 123.2 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | 50.6 | 136.4 | 146 | -52.8 | 171.5 | 0 | 0 | 0 | 118.6 | | |
| 587 | G | 35.1 | Very low | 34.4 | Very low | 76 Ų | 76 | 123 Ų | 123 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | cis | 173.3 | 172.3 | 5.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 588 | G | 30.2 | Very low | 34.5 | Very low | 85 Ų | 85 | 123.8 Ų | 123.8 | 88% | 0.876 | 77% | 0.773 | S | S | * | * | | | cis | 140.8 | 131.1 | 15.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 589 | G | 34.4 | Very low | 34.6 | Very low | 63 Ų | 63 | 122.5 Ų | 122.5 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | trans | 115.7 | 99.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 590 | T | 33.4 | Very low | 34.5 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | | 72.1 | 138.1 | 77.7 | 66.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 591 | E | 38.3 | Very low | 34.5 | Very low | 172 Ų | 172 | 128.8 Ų | 128.8 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | cis | -148.8 | 131.4 | 29.7 | -67.1 | 173.3 | 177.1 | 0 | 0 | 110.2 | | |
| 592 | S | 34.3 | Very low | 34.7 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | | 73.5 | 122.7 | 96.6 | -53.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 593 | F | 38 | Very low | 34.8 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | | | | -174 | 118.7 | 121.2 | -116.3 | -90.4 | 0 | 0 | 0 | 113.1 | | |
| 594 | N | 37.7 | Very low | 35.1 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | 32.3 | 136.2 | 152 | -56.6 | -11.8 | 0 | 0 | 0 | 122.7 | | |
| 595 | G | 37.2 | Very low | 35.4 | Very low | 69 Ų | 69 | 129.6 Ų | 129.6 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | cis | 175.8 | -177.1 | -3.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 596 | Q | 34.7 | Very low | 35.4 | Very low | 188 Ų | 188 | 129.9 Ų | 129.9 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | | | trans | 52.3 | 118.3 | 145.5 | -107.6 | -170.3 | -43 | 0 | 0 | 117.6 | | |
| 597 | V | 37.5 | Very low | 35.7 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | | | cis | -172.5 | 158 | 49.2 | 159.2 | 0 | 0 | 0 | 0 | 108 | | |
| 598 | S | 35 | Very low | 35.8 | Very low | 82 Ų | 82 | 130 Ų | 130 | 57% | 0.573 | 75% | 0.745 | S | S | * | * | | | cis | -178.5 | 124.6 | -33.6 | -81.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 599 | L | 34.1 | Very low | 36 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | | | trans | 69.1 | 149.8 | 150.8 | -52.8 | 169 | 0 | 0 | 0 | 117.4 | | |
| 600 | R | 33.8 | Very low | 36.8 | Very low | 200 Ų | 200 | 137.7 Ų | 137.7 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | cis | -165.9 | 151.7 | 11.5 | -130.7 | 161.9 | -173.2 | -175.4 | 1.6 | 111 | | |
| 601 | N | 34.2 | Very low | 37.3 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | 39.5 | 151.5 | 140.5 | -67.8 | 36.4 | 0 | 0 | 0 | 121.9 | | |
| 602 | E | 36.2 | Very low | 38.1 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | | | cis | 169.7 | 133.3 | -16.6 | -96.1 | -129.3 | -147.8 | 0 | 0 | 104.3 | | |
| 603 | N | 33.4 | Very low | 39.1 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | | | trans | 39.6 | 163.2 | 136.8 | -88.8 | -27.1 | 0 | 0 | 0 | 123.4 | | |
| 604 | P | 41.9 | Very low | 39 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | | | cis | -143.5 | -169.7 | -21 | 41 | -22.2 | 0 | 0 | 0 | 114.9 | | |
| 605 | L | 37.3 | Very low | 39.4 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | | | trans | 77.2 | 142 | 148.5 | -73.7 | 173.5 | 0 | 0 | 0 | 123.2 | | |
| 606 | N | 36 | Very low | 39.7 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | | | trans | 85.9 | 92.9 | 146.4 | -72.6 | -8.7 | 0 | 0 | 0 | 123.5 | | |
| 607 | I | 37.3 | Very low | 40.1 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | | | | 69.4 | 136 | 105.2 | -70.3 | 171.6 | 0 | 0 | 0 | 121.2 | | |
| 608 | A | 37.2 | Very low | 40.4 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | | | trans | 95.4 | 116.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 609 | Y | 34.2 | Very low | 40.9 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | | | trans | -94.4 | 158.9 | 156.6 | -82.9 | -90.7 | 0 | 0 | 0 | 110.9 | | |
| 610 | P | 51.6 | Low | 41.3 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | | | trans | -130.7 | 160 | 146.1 | 35.4 | -22.4 | 0 | 0 | 0 | 114.4 | | |
| 611 | A | 44.5 | Very low | 41.5 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 168.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 612 | P | 54.3 | Low | 42.1 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 160.1 | 161.8 | 35.1 | -32.9 | 0 | 0 | 0 | 112.5 | | |
| 613 | P | 54.5 | Low | 42.2 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 156.6 | -155 | 38 | -36.2 | 0 | 0 | 0 | 117 | | |
| 614 | F | 36 | Very low | 42.6 | Very low | 209 Ų | 209 | 126.6 Ų | 126.6 | 92% | 0.917 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 138.5 | 157.1 | -101.5 | -90.4 | 0 | 0 | 0 | 110.4 | | |
| 615 | M | 46.6 | Very low | 42.4 | Very low | 161 Ų | 161 | 127 Ų | 127 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | | | trans | -160.7 | 146 | 158 | -81.5 | -151.5 | 148.8 | 0 | 0 | 107.4 | | |
| 616 | N | 42.5 | Very low | 42.7 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | | | cis | -160.8 | 162.8 | 5 | -113.6 | -7 | 0 | 0 | 0 | 111 | | |
| 617 | S | 45 | Very low | 43 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | | | trans | 62.4 | 140.6 | 144.1 | -67.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 618 | D | 43.5 | Very low | 43.1 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | | | cis | -157.3 | 156.5 | -5.5 | -110.9 | -45.5 | 0 | 0 | 0 | 112.4 | | |
| 619 | Q | 44.7 | Very low | 43.3 | Very low | 167 Ų | 167 | 126.2 Ų | 126.2 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | | | trans | 2 | 148 | 142.5 | -62.1 | 169.1 | 78.4 | 0 | 0 | 118.4 | | |
| 620 | S | 42.2 | Very low | 43.9 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | cis | -171.9 | 167.1 | 4.6 | 43.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 621 | A | 38.5 | Very low | 44 | Very low | 92 Ų | 92 | 122 Ų | 122 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | trans | -75.3 | -169.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 622 | P | 47.1 | Very low | 44.2 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | | | cis | -138.2 | 172.6 | -6.7 | 41.1 | -22.7 | 0 | 0 | 0 | 116.7 | | |
| 623 | S | 37.6 | Very low | 43.6 | Very low | 94 Ų | 94 | 123 Ų | 123 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | | | trans | 49.5 | 134.3 | 141.8 | 70 | 0 | 0 | 0 | 0 | 124 | | |
| 624 | T | 42.1 | Very low | 42.9 | Very low | 128 Ų | 128 | 123 Ų | 123 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | 115.2 | 135.5 | 141.1 | 71.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 625 | S | 37.4 | Very low | 43.2 | Very low | 104 Ų | 104 | 117.1 Ų | 117.1 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | 78 | 112.9 | 142.9 | -79.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 626 | V | 45.1 | Very low | 42.9 | Very low | 111 Ų | 111 | 114.3 Ų | 114.3 | 67% | 0.673 | 74% | 0.744 | S | S | * | * | | | | 92.6 | 109.2 | 118.9 | 171.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 627 | K | 41.8 | Very low | 42.8 | Very low | 205 Ų | 205 | 112 Ų | 112 | 89% | 0.891 | 74% | 0.741 | S | S | * | * | | | trans | 55.9 | 135.2 | 143.5 | -64.2 | 172.7 | -169.7 | 173.3 | 0 | 119.7 | | |
| 628 | G | 37.9 | Very low | 42.8 | Very low | 66 Ų | 66 | 116.2 Ų | 116.2 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | | | trans | 150.8 | 88.1 | 134.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 629 | S | 42.5 | Very low | 42.6 | Very low | 119 Ų | 119 | 115.5 Ų | 115.5 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | trans | 39.4 | 113.7 | 140.8 | 52.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 630 | S | 45.8 | Very low | 42.7 | Very low | 114 Ų | 114 | 115.2 Ų | 115.2 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | -52.8 | 170.1 | 150.2 | -33.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 631 | P | 55.2 | Low | 42.6 | Very low | 109 Ų | 109 | 116.7 Ų | 116.7 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | | -158.1 | 167.1 | 86.4 | 42.7 | -23.8 | 0 | 0 | 0 | 118.7 | | |
| 632 | I | 47.4 | Very low | 42.8 | Very low | 169 Ų | 169 | 124.5 Ų | 124.5 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | | | trans | 65.2 | 132.3 | 149.2 | -65.4 | 152.5 | 0 | 0 | 0 | 118.8 | | |
| 633 | G | 41.5 | Very low | 42.7 | Very low | 63 Ų | 63 | 127 Ų | 127 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | | | cis | 164.1 | 172.1 | -7.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 634 | S | 41.5 | Very low | 43.9 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | | | trans | 61.7 | 147.4 | 163.8 | -73 | 0 | 0 | 0 | 0 | 120.3 | | |
| 635 | A | 41 | Very low | 44.8 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | | | cis | -170.4 | 159.2 | -14.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 636 | A | 40.8 | Very low | 45.6 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | 61.4 | 156 | 151 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 637 | A | 41.2 | Very low | 45.6 | Very low | 68 Ų | 68 | 126.9 Ų | 126.9 | 56% | 0.562 | 78% | 0.779 | S | S | * | * | | | cis | -170.5 | 171.4 | -23.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 638 | H | 44 | Very low | 45.6 | Very low | 180 Ų | 180 | 126 Ų | 126 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | | | trans | 73.1 | 115.8 | 168.7 | -47.7 | -64.4 | 0 | 0 | 0 | 116.4 | | |
| 639 | S | 38.9 | Very low | 46.2 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | | 83.2 | 117 | 56.7 | -174.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 640 | I | 46.4 | Very low | 46.2 | Very low | 161 Ų | 161 | 134 Ų | 134 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | | -178.4 | 139.7 | 122.6 | -87.4 | 151.5 | 0 | 0 | 0 | 110.4 | | |
| 641 | N | 40.1 | Very low | 46.5 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | -65.8 | 152.2 | -171.4 | -51.5 | -66.7 | 0 | 0 | 0 | 116.4 | | |
| 642 | R | 43.1 | Very low | 46.8 | Very low | 256 Ų | 256 | 136.9 Ų | 136.9 | 97% | 0.966 | 78% | 0.784 | S | S | * | * | | | trans | -158.7 | 131.1 | 132.5 | -108.9 | 168.6 | -169.4 | -150.9 | 0.8 | 111.7 | | |
| 643 | L | 45.2 | Very low | 46.5 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 155.7 | -172.4 | -71.2 | 159.8 | 0 | 0 | 0 | 112.8 | | |
| 644 | P | 62.5 | Low | 46.6 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 155.8 | 167 | 35.7 | -33.7 | 0 | 0 | 0 | 112.2 | | |
| 645 | P | 62.4 | Low | 47 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 146.1 | 171.6 | 32.4 | -33.6 | 0 | 0 | 0 | 111.8 | | |
| 646 | P | 52.4 | Low | 47.2 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 148.7 | -177.1 | 33.7 | -35.1 | 0 | 0 | 0 | 113.1 | | |
| 647 | A | 45 | Very low | 47.3 | Very low | 98 Ų | 98 | 149.3 Ų | 149.3 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -80 | 130.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 648 | F | 41.9 | Very low | 47.5 | Very low | 187 Ų | 187 | 154.9 Ų | 154.9 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 118.9 | 168.2 | -91.9 | -92.7 | 0 | 0 | 0 | 109.7 | | |
| 649 | V | 51.5 | Low | 47.4 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 131.1 | 163.5 | 177.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 650 | Y | 42.5 | Very low | 47.8 | Very low | 222 Ų | 222 | 152.5 Ų | 152.5 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | | | trans | -95.4 | 112.2 | 177.8 | -124.7 | -92.4 | 0 | 0 | 0 | 108.8 | | |
| 651 | E | 51.5 | Low | 48 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88 | 144.5 | 164.3 | -78.8 | -165.7 | 144.6 | 0 | 0 | 110.7 | | |
| 652 | P | 61.5 | Low | 48.1 | Very low | 117 Ų | 117 | 153.4 Ų | 153.4 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 123.5 | 170.8 | 31 | -31.8 | 0 | 0 | 0 | 111.3 | I654 | P652-I654 PolarHBondContact O-N 2.61Š|
| 653 | F | 41.3 | Very low | 48 | Very low | 200 Ų | 200 | 146.2 Ų | 146.2 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 127.4 | 174.2 | -112.7 | -107.8 | 0 | 0 | 0 | 112 | | |
| 654 | I | 44.4 | Very low | 48.1 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | trans | -116.5 | 117.3 | 161.1 | -59.8 | 177.6 | 0 | 0 | 0 | 108.2 | P652 T656 | P652-I654 PolarHBondContact O-N 2.61Å; I654-T656 PolarHBondContact O-N 3.41Å |
| 655 | P | 50.1 | Low | 47 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | | | trans | -87.9 | 94.7 | 179.6 | 33 | -32.1 | 0 | 0 | 0 | 111.8 | | |
| 656 | T | 45.6 | Very low | 46.8 | Very low | 123 Ų | 123 | 149.3 Ų | 149.3 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | -85.5 | 108.4 | 161.4 | 42 | 0 | 0 | 0 | 0 | 110.5 | I654 | I654-T656 PolarHBondContact O-N 3.41Š|
| 657 | Y | 42.9 | Very low | 46.5 | Very low | 232 Ų | 232 | 155.5 Ų | 155.5 | 91% | 0.91 | 81% | 0.807 | S | S | * | * | | | trans | -94.4 | 115.1 | 171.4 | -125.4 | -89.3 | 0 | 0 | 0 | 110.6 | | |
| 658 | F | 44.4 | Very low | 47 | Very low | 186 Ų | 186 | 156.1 Ų | 156.1 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | | | trans | -88.8 | 147.7 | 166.3 | -104.9 | -96.1 | 0 | 0 | 0 | 109.8 | | |
| 659 | G | 41.9 | Very low | 47.1 | Very low | 73 Ų | 73 | 152.3 Ų | 152.3 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | -174.6 | 53.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 660 | I | 46.5 | Very low | 46.6 | Very low | 156 Ų | 156 | 149.4 Ų | 149.4 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | | | trans | -86.7 | 133.8 | 172 | -58.3 | 167.8 | 0 | 0 | 0 | 110.8 | | |
| 661 | P | 52.3 | Low | 46.5 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -97 | 108.1 | 167.5 | 33.5 | -28 | 0 | 0 | 0 | 113.7 | | |
| 662 | K | 40.6 | Very low | 46.1 | Very low | 202 Ų | 202 | 144.1 Ų | 144.1 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | | | trans | 8.3 | 129.5 | 150.8 | -68.3 | 166.9 | 177.6 | 168 | 0 | 120.8 | | |
| 663 | A | 41.4 | Very low | 45.1 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | | | trans | -77.9 | 165.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 664 | M | 47 | Very low | 45.2 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | trans | -141.5 | 97.9 | -176.2 | -169 | 168.4 | -171.6 | 0 | 0 | 114.1 | | |
| 665 | F | 40.1 | Very low | 45 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | | | trans | 54.9 | 170.6 | 142.1 | -79.9 | -82.4 | 0 | 0 | 0 | 121.5 | | |
| 666 | P | 57.5 | Low | 44.8 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 63% | 0.63 | 79% | 0.792 | S | S | * | * | | | cis | -131.4 | 164.1 | -16.6 | 32.4 | -14.5 | 0 | 0 | 0 | 115.6 | | |
| 667 | Y | 47.2 | Very low | 44.7 | Very low | 237 Ų | 237 | 144.9 Ų | 144.9 | 93% | 0.929 | 79% | 0.794 | S | S | * | * | | | trans | -149.9 | 142.8 | 136.1 | -95.1 | -73.9 | 0 | 0 | 0 | 109.8 | | |
| 668 | P | 54.2 | Low | 44.5 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | trans | -115.8 | 168.3 | -161.3 | 41.7 | -33.9 | 0 | 0 | 0 | 117.4 | | |
| 669 | A | 44.7 | Very low | 44.2 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | | | trans | 80.1 | 132.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 670 | G | 42.2 | Very low | 44 | Very low | 68 Ų | 68 | 135.6 Ų | 135.6 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | 170.4 | 13.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 671 | C | 39.6 | Very low | 43.5 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | | | trans | 63.8 | 162.7 | 165.4 | -56.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 672 | M | 43 | Very low | 42.8 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | cis | -162.4 | 148.5 | -30 | -108 | -54.9 | -166.2 | 0 | 0 | 109.2 | | |
| 673 | F | 40.5 | Very low | 42.5 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | | | trans | 70 | 127.4 | 155.9 | -88 | -89 | 0 | 0 | 0 | 124.8 | | |
| 674 | A | 42.8 | Very low | 42.1 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | | | trans | 82.5 | 90 | 137 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 675 | H | 40 | Very low | 41.5 | Very low | 179 Ų | 179 | 135.3 Ų | 135.3 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | | | | 37.1 | 148.8 | 102 | -124.5 | -123.7 | 0 | 0 | 0 | 119.9 | | |
| 676 | P | 46.3 | Very low | 41.3 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 61% | 0.61 | 75% | 0.752 | S | S | * | * | | | | -150.3 | -130.5 | -103 | 41.6 | -15.1 | 0 | 0 | 0 | 111.5 | | |
| 677 | Q | 42.9 | Very low | 40.2 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | 85.7 | 128.4 | 161.8 | -69.9 | -165.5 | -17.7 | 0 | 0 | 118.7 | | |
| 678 | S | 39.2 | Very low | 39.7 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | | | trans | 75.8 | 139.7 | 145.4 | -167.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 679 | A | 38.2 | Very low | 38.7 | Very low | 80 Ų | 80 | 123 Ų | 123 | 66% | 0.661 | 73% | 0.73 | S | S | * | * | | | cis | -171 | 137.5 | -27.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 680 | A | 38.3 | Very low | 38.2 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | | | trans | 59.2 | 172.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 681 | H | 35.4 | Very low | 38 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 68% | 0.681 | 73% | 0.731 | S | S | * | * | | | cis | -149.7 | 161.5 | -3.5 | -158.7 | -145.3 | 0 | 0 | 0 | 108.1 | | |
| 682 | Q | 38.1 | Very low | 38.6 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | | | trans | 63.4 | 155.2 | 162.2 | -74.5 | 153.9 | -6.6 | 0 | 0 | 117.7 | | |
| 683 | Q | 33.9 | Very low | 38.8 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 69% | 0.687 | 72% | 0.717 | S | S | * | * | | | cis | -178.3 | 131.2 | -40.5 | -117 | -179.2 | -46 | 0 | 0 | 103.5 | | |
| 684 | I | 33.9 | Very low | 38.5 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 65% | 0.646 | 71% | 0.711 | S | S | * | * | | | trans | 68.8 | 108.6 | 138 | -66.5 | 171.4 | 0 | 0 | 0 | 118.5 | | |
| 685 | F | 34.2 | Very low | 38.2 | Very low | 183 Ų | 183 | 126.3 Ų | 126.3 | 80% | 0.803 | 72% | 0.718 | S | S | * | * | | | trans | 54.3 | 130 | 140.7 | -70.1 | -108.7 | 0 | 0 | 0 | 120.6 | | |
| 686 | T | 35.8 | Very low | 37.9 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | | | | -177.1 | 149.5 | 91.8 | 34.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 687 | D | 34.3 | Very low | 37.5 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 57% | 0.572 | 73% | 0.726 | S | S | * | * | | | trans | -175.2 | 115.4 | 154 | -99.5 | -15 | 0 | 0 | 0 | 107.4 | S112 | S112-D687 WeakPolarHBondContact CB-OD1 3.45Å; S112-D687 WeakPolarHBondContact CB-OD2 3.17Å; S112-D687 PolarHBondContact OG-OD2 3.39Å |
| 688 | A | 35.6 | Very low | 37 | Very low | 72 Ų | 72 | 126.5 Ų | 126.5 | 60% | 0.595 | 72% | 0.72 | S | S | * | * | | | | 69.4 | 129.3 | 77.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 689 | G | 33.4 | Very low | 36.7 | Very low | 64 Ų | 64 | 129.2 Ų | 129.2 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | | | cis | 176.7 | 163.4 | -8.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 690 | I | 35 | Very low | 36.6 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | | | trans | 50.5 | 104.5 | 140 | -51.3 | 173.2 | 0 | 0 | 0 | 118.7 | | |
| 691 | I | 38.4 | Very low | 36.3 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | | | | 65.5 | 140 | 78.1 | -65 | 174 | 0 | 0 | 0 | 115.9 | | |
| 692 | P | 52.4 | Low | 36.2 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 74% | 0.74 | 71% | 0.713 | S | S | * | * | | | cis | -116.5 | -92.9 | -29.9 | 30.3 | -7 | 0 | 0 | 0 | 111.6 | | |
| 693 | P | 46.5 | Very low | 36 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 57% | 0.571 | 72% | 0.716 | S | S | * | * | | | cis | -126 | 127.3 | -22.4 | 34.2 | -13.8 | 0 | 0 | 0 | 117.2 | Y695 | P693-Y695 WeakPolarHBondContact O-CE2 2.92Š|
| 694 | G | 33.7 | Very low | 35.9 | Very low | 66 Ų | 66 | 127.6 Ų | 127.6 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | | | trans | 84.1 | 161.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 695 | Y | 36.3 | Very low | 36.1 | Very low | 212 Ų | 212 | 128.7 Ų | 128.7 | 83% | 0.831 | 73% | 0.725 | S | S | * | * | | | cis | -146.6 | 150.3 | 7.1 | -60.5 | -88.9 | 0 | 0 | 0 | 112 | P693 | P693-Y695 WeakPolarHBondContact O-CE2 2.92Š|
| 696 | N | 33.5 | Very low | 36.1 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | | | trans | -64.3 | 150.7 | 167.9 | -71.5 | -70.1 | 0 | 0 | 0 | 111.9 | | |
| 697 | L | 38.2 | Very low | 36.3 | Very low | 156 Ų | 156 | 125.1 Ų | 125.1 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | | | | -167.3 | 113.5 | 122.9 | -90.9 | 134.7 | 0 | 0 | 0 | 106.5 | | |
| 698 | E | 32.8 | Very low | 36.7 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | | | | 76.6 | 130.2 | 68.9 | -86.6 | -157.6 | 129.8 | 0 | 0 | 116 | | |
| 699 | Y | 32.3 | Very low | 37 | Very low | 177 Ų | 177 | 124.5 Ų | 124.5 | 69% | 0.694 | 74% | 0.738 | S | S | * | * | | | trans | 75.3 | 140.2 | 150.1 | -86.6 | -111.1 | 0 | 0 | 0 | 122 | | |
| 700 | G | 36.2 | Very low | 37.3 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | | | trans | 134.6 | 56.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 701 | R | 32.1 | Very low | 37.6 | Very low | 203 Ų | 203 | 124.1 Ų | 124.1 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | | 41.8 | 99.1 | 84.3 | -88.4 | -168.9 | -177.1 | -175.9 | 2.9 | 112.2 | | |
| 702 | S | 32.8 | Very low | 38 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | | 81 | 120.4 | 83.1 | 70 | 0 | 0 | 0 | 0 | 114.8 | | |
| 703 | S | 34.5 | Very low | 37.5 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | | | trans | 176.4 | 118.9 | 140.4 | 51 | 0 | 0 | 0 | 0 | 108.9 | | |
| 704 | C | 32.5 | Very low | 37.2 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | | | | 78.7 | 119.3 | 96.9 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 705 | L | 37.1 | Very low | 37.5 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | | 56.1 | 125.4 | 90.1 | -60.3 | 164.7 | 0 | 0 | 0 | 110.4 | | |
| 706 | D | 35.9 | Very low | 37.8 | Very low | 147 Ų | 147 | 121 Ų | 121 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | | | | -174.2 | 165.6 | 70.6 | -121.3 | -35.9 | 0 | 0 | 0 | 115.4 | | |
| 707 | A | 39.2 | Very low | 38 | Very low | 91 Ų | 91 | 117.5 Ų | 117.5 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | 62.6 | 164.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 708 | A | 42.6 | Very low | 38.1 | Very low | 94 Ų | 94 | 114.9 Ų | 114.9 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | | | cis | -155.7 | 153.1 | 10.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 709 | G | 41.7 | Very low | 38.4 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | trans | 69.2 | 165.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 710 | C | 40 | Very low | 38.8 | Very low | 123 Ų | 123 | 108.8 Ų | 108.8 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | | | cis | -172 | 163.1 | -10.2 | -99.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 711 | S | 41.4 | Very low | 39.1 | Very low | 91 Ų | 91 | 112.9 Ų | 112.9 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | cis | -177.5 | 149.8 | -25.5 | -94.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 712 | T | 46.4 | Very low | 39.5 | Very low | 146 Ų | 146 | 110.4 Ų | 110.4 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | | | trans | 61.1 | 146.5 | 165.3 | 58.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 713 | A | 41.9 | Very low | 39.9 | Very low | 105 Ų | 105 | 111.2 Ų | 111.2 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | | | cis | -163.3 | -178.9 | -12.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 714 | G | 39.6 | Very low | 40.5 | Very low | 64 Ų | 64 | 112.3 Ų | 112.3 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | | | cis | 172.6 | -169.6 | 2.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 715 | S | 41.5 | Very low | 41.3 | Very low | 111 Ų | 111 | 111.3 Ų | 111.3 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | 48 | 108.7 | 166.7 | 66.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 716 | T | 41.5 | Very low | 41.6 | Very low | 144 Ų | 144 | 109.8 Ų | 109.8 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | | | | 33.5 | 143.8 | 122.1 | 60.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 717 | G | 37.6 | Very low | 42 | Very low | 73 Ų | 73 | 111.9 Ų | 111.9 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | | | cis | 160.3 | 152.6 | -3.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 718 | A | 39.8 | Very low | 42.2 | Very low | 100 Ų | 100 | 117.1 Ų | 117.1 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | | | trans | 60.2 | 133.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 124.8 | | |
| 719 | A | 40.3 | Very low | 42.1 | Very low | 94 Ų | 94 | 117.5 Ų | 117.5 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | | | trans | 67.5 | 150.4 | 141.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 720 | S | 41.2 | Very low | 42.2 | Very low | 98 Ų | 98 | 120.2 Ų | 120.2 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | cis | -171.6 | 175.2 | -13.9 | -90.9 | 0 | 0 | 0 | 0 | 111 | | |
| 721 | N | 41.8 | Very low | 41.7 | Very low | 153 Ų | 153 | 120.5 Ų | 120.5 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | 83.3 | 113.3 | 164.9 | -50.4 | -27.9 | 0 | 0 | 0 | 117.5 | | |
| 722 | E | 39.9 | Very low | 41.7 | Very low | 151 Ų | 151 | 122.3 Ų | 122.3 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | | 77 | 160.2 | 86.2 | -85.5 | -75.8 | 68.5 | 0 | 0 | 115.5 | | |
| 723 | V | 41.9 | Very low | 41.3 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | | | cis | -153.3 | 125.9 | 22.4 | 81.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 724 | L | 47.4 | Very low | 41.2 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | trans | 55 | -176.6 | 139.8 | -56.6 | 178.6 | 0 | 0 | 0 | 122.6 | | |
| 725 | P | 48.1 | Very low | 41.2 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 57% | 0.565 | 75% | 0.753 | S | S | * | * | | | | -148.5 | -148.7 | -100.9 | 45.8 | -21.3 | 0 | 0 | 0 | 118 | | |
| 726 | T | 44.9 | Very low | 41 | Very low | 119 Ų | 119 | 125 Ų | 125 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | | | trans | 79.3 | 150.9 | 161.1 | 39.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 727 | R | 43.3 | Very low | 40.6 | Very low | 190 Ų | 190 | 122.8 Ų | 122.8 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | | | cis | -164.1 | 148.4 | 7.6 | -132.1 | 169.8 | -171.6 | -151.5 | 5.6 | 113.6 | | |
| 728 | R | 43.2 | Very low | 40.5 | Very low | 202 Ų | 202 | 123.1 Ų | 123.1 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | | | trans | 54.7 | 155.5 | 142.4 | -80.9 | 175 | 177.3 | 179.4 | -5 | 121.3 | | |
| 729 | S | 41.6 | Very low | 40.2 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | | | cis | -168.6 | 149.5 | -0.6 | 41.7 | 0 | 0 | 0 | 0 | 115 | | |
| 730 | V | 43 | Very low | 40.1 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | trans | 69.6 | 128.3 | 146 | 174.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 731 | C | 30.4 | Very low | 39.7 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | | | trans | -135.3 | 145.6 | 161.4 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 732 | T | 41.3 | Very low | 39.7 | Very low | 129 Ų | 129 | 128 Ų | 128 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | -147.9 | 139.8 | 165.4 | 45.1 | 0 | 0 | 0 | 0 | 105.5 | | |
| 733 | S | 37.6 | Very low | 39.7 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | | | cis | -164 | 167.1 | 5.7 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 734 | T | 39.7 | Very low | 39.5 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | | | trans | 76 | 131.8 | 152.8 | 8.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 735 | L | 38.8 | Very low | 38.8 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | | | trans | 61.6 | 98.3 | 152.5 | -72.7 | 152.7 | 0 | 0 | 0 | 119.8 | | |
| 736 | A | 36.9 | Very low | 38.2 | Very low | 98 Ų | 98 | 131 Ų | 131 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | | 176.4 | 136.4 | 97.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 737 | A | 34.8 | Very low | 37.7 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | trans | 28.8 | 117.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 738 | A | 33.8 | Very low | 37.5 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | | | | 76.6 | 102.1 | 119.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 739 | T | 34.9 | Very low | 37.1 | Very low | 131 Ų | 131 | 120.8 Ų | 120.8 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | | 75.8 | 155.3 | 129.5 | 68.7 | 0 | 0 | 0 | 0 | 121 | | |
| 740 | K | 37.1 | Very low | 36.9 | Very low | 171 Ų | 171 | 119.3 Ų | 119.3 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | 70.1 | 88.4 | 167 | -68.6 | 177.3 | 179.6 | 174.2 | 0 | 116.7 | V742 | K740-V742 HydrophobicContact CB-CG2 4.25Å; K740-V742 PolarHBondContact O-N 3.31Å |
| 741 | S | 34.2 | Very low | 36.5 | Very low | 126 Ų | 126 | 114.4 Ų | 114.4 | 88% | 0.881 | 73% | 0.726 | S | S | * | * | | | | -15.2 | 111.6 | 116 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 742 | V | 41.4 | Very low | 36.8 | Very low | 120 Ų | 120 | 113.5 Ų | 113.5 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | | | trans | -145.2 | 150.4 | 169.7 | 176.5 | 0 | 0 | 0 | 0 | 104.6 | K740 | K740-V742 HydrophobicContact CB-CG2 4.25Å; K740-V742 PolarHBondContact O-N 3.31Å |
| 743 | P | 38.9 | Very low | 36.6 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 61% | 0.61 | 71% | 0.707 | S | S | * | * | | | cis | -122.7 | 160.9 | -25.2 | 34.7 | -20.3 | 0 | 0 | 0 | 112.2 | | |
| 744 | M | 37.6 | Very low | 36.9 | Very low | 201 Ų | 201 | 109.5 Ų | 109.5 | 99% | 0.99 | 69% | 0.686 | S | S | * | * | | | trans | -144.1 | 57.3 | 139.2 | -89.6 | -53.6 | 170.8 | 0 | 0 | 108.9 | | |
| 745 | D | 34.5 | Very low | 37.3 | Very low | 144 Ų | 144 | 105.7 Ų | 105.7 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | | | trans | -122.8 | 111.9 | 163.4 | -155.1 | -2.3 | 0 | 0 | 0 | 105.9 | | |
| 746 | S | 34.2 | Very low | 37.4 | Very low | 105 Ų | 105 | 104.2 Ų | 104.2 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | | | trans | 161.4 | 109.9 | 157.4 | -80.3 | 0 | 0 | 0 | 0 | 112 | | |
| 747 | C | 34.1 | Very low | 37.6 | Very low | 100 Ų | 100 | 107.5 Ų | 107.5 | 68% | 0.676 | 65% | 0.648 | S | S | * | * | | | | 56.6 | 156.6 | 109.3 | -68 | 0 | 0 | 0 | 0 | 120.3 | | |
| 748 | P | 40 | Very low | 37.7 | Very low | 117 Ų | 117 | 108 Ų | 108 | 76% | 0.76 | 64% | 0.641 | S | S | * | * | | | cis | -135.2 | 146.4 | 22 | 42.4 | -25.1 | 0 | 0 | 0 | 117.1 | | |
| 749 | V | 35.5 | Very low | 37.9 | Very low | 79 Ų | 79 | 109.5 Ų | 109.5 | 48% | 0.479 | 64% | 0.64 | S | S | . | * | | | | 18.9 | 139.9 | 104.6 | -179.7 | 0 | 0 | 0 | 0 | 117.4 | S210 | S210-V749 WeakPolarHBondContact OG-CG2 2.81Š|
| 750 | A | 36.7 | Very low | 38.1 | Very low | 72 Ų | 72 | 108.3 Ų | 108.3 | 60% | 0.595 | 63% | 0.631 | S | S | * | * | | | trans | 66.4 | 97 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 751 | G | 33.6 | Very low | 38.2 | Very low | 24 Ų | 24 | 104.6 Ų | 104.6 | 25% | 0.247 | 62% | 0.624 | C | S | . | * | | | trans | -82.1 | 118.9 | 135.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | R208 | R208-G751 WeakPolarHBondContact CB-O 3.35Å; R208-G751 WeakPolarHBondContact CD-O 3.5Å; R208-G751 VanDerWaalsContact CG-O 3.23Å; R208-G751 WeakPolarHBondContact CG-O 3.44Å |
| 752 | E | 37.4 | Very low | 38.4 | Very low | 111 Ų | 111 | 103.3 Ų | 103.3 | 52% | 0.519 | 61% | 0.608 | S | S | . | * | | | trans | -127.3 | 87 | 143.3 | -78.9 | -169 | -138.9 | 0 | 0 | 106.3 | K206 P207 E754 | K206-E752 WeakPolarHBondContact O-CG 3.45Å; P207-E752 WeakPolarHBondContact CA-OE1 3.48Å; P207-E752 WeakPolarHBondContact CB-OE1 3.19Å; E752-E754 HydrophobicContact CB-CB 4.27Å; E752-E754 HydrophobicContact CB-CG 4.15Å; E752-E754 HydrophobicContact CG-CG 4.42Å; E752-E754 PolarHBondContact O-N 3.24Å |
| 753 | A | 37.1 | Very low | 38.2 | Very low | 88 Ų | 88 | 102.1 Ų | 102.1 | 73% | 0.727 | 60% | 0.6 | S | S | * | * | | | trans | -77.2 | 53.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | K205 | K205-A753 WeakPolarHBondContact CE-O 2.82Å; K205-A753 PolarHBondContact NZ-O 3.19Å |
| 754 | E | 44.1 | Very low | 38.2 | Very low | 59 Ų | 59 | 102.7 Ų | 102.7 | 28% | 0.276 | 60% | 0.599 | S | S | . | * | | | trans | -116.3 | 154.9 | -163.1 | -53.9 | -106.8 | 8.7 | 0 | 0 | 111.4 | K205 K206 E752 | K205-E754 VanDerWaalsContact C-CD 3.45Å; K205-E754 WeakPolarHBondContact CA-OE1 3.19Å; K205-E754 HydrophobicContact CB-CB 3.68Å; K205-E754 HydrophobicContact CB-CG 4.25Å; K205-E754 WeakPolarHBondContact CB-OE1 3.08Å; K205-E754 HydrophobicContact CD-CB 3.85Å; K205-E754 HydrophobicContact CD-CG 3.78Å; K205-E754 WeakPolarHBondContact CD-OE1 3.38Å; K205-E754 HydrophobicContact CG-CB 4.28Å; K205-E754 HydrophobicContact CG-CG 4.49Å; K205-E754 WeakPolarHBondContact CG-OE1 3.25Å; K206-E754 WeakPolarHBondContact CB-OE2 3.33Å; K206-E754 WeakPolarHBondContact CD-OE2 3.36Å; K206-E754 PolarHBondContact N-OE1 3.02Å; K206-E754 WeakPolarHBondContact O-CG 3.34Å; E752-E754 HydrophobicContact CB-CB 4.27Å; E752-E754 HydrophobicContact CB-CG 4.15Å; E752-E754 HydrophobicContact CG-CG 4.42Å; E752-E754 PolarHBondContact O-N 3.24Å |
| 755 | E | 48 | Very low | 38.2 | Very low | 39 Ų | 39 | 95.2 Ų | 95.2 | 18% | 0.182 | 57% | 0.569 | C | S | . | * | | | | -106.5 | 146.1 | -117.1 | -163.2 | 152.1 | 85.6 | 0 | 0 | 117.4 | R203 L204 K205 K757 | R203-E755 HydrophobicContact CB-CG 4.34Å; R203-E755 WeakPolarHBondContact CB-OE1 3.47Å; R203-E755 WeakPolarHBondContact CG-OE1 3.41Å; R203-E755 IonicContact CZ-OE1 2.78Å; R203-E755 IonicContact NE-OE1 2.71Å; R203-E755 PolarHBondContact NE-OE1 3.14Å; R203-E755 IonicContact NH2-OE1 3.19Å; R203-E755 PolarHBondContact NH2-OE1 3.09Å; R203-E755 IonicContact NH2-OE2 3.87Å; L204-E755 WeakPolarHBondContact CD1-O 3.49Å; L204-E755 WeakPolarHBondContact CG-O 3.5Å; K205-E755 HydrophobicContact CB-CB 3.57Å; K205-E755 HydrophobicContact CD-CB 3.78Å; K205-E755 WeakPolarHBondContact CE-OE2 3.45Å; K205-E755 HydrophobicContact CG-CB 3.47Å; K205-E755 VanDerWaalsContact CG-CB 3.47Å; K205-E755 HydrophobicContact CG-CG 4.33Å; K205-E755 IonicContact NZ-OE2 2.59Å; K205-E755 PolarHBondContact NZ-OE2 3.24Å; E755-K757 WeakPolarHBondContact CG-OXT 3.48Å |
| 756 | N | 40.2 | Very low | 38.5 | Very low | 132 Ų | 132 | 91.1 Ų | 91.1 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | | | trans | -133.8 | 112.3 | 144.7 | -146.5 | -14.5 | 0 | 0 | 0 | 109.6 | | |
| 757 | K | 41.7 | Very low | 38.9 | Very low | 167 Ų | 167 | 89.8 Ų | 89.8 | 73% | 0.726 | 54% | 0.536 | S | S | * | . | | | trans | 55.1 | 0 | -166.8 | -69.6 | -169.6 | -178.7 | -179.6 | 0 | 116.8 | R203 E755 | R203-K757 VanDerWaalsContact CZ-CA 3.46Å; R203-K757 VanDerWaalsContact CZ-OXT 3.23Å; R203-K757 VanDerWaalsContact NH1-CA 3.29Å; R203-K757 PolarHBondContact NH1-O 3.21Å; R203-K757 PolarHBondContact NH2-O 3.37Å; R203-K757 PolarHBondContact NH2-OXT 2.9Å; E755-K757 WeakPolarHBondContact CG-OXT 3.48Å |