| 1 | M | 42 | Very low | 42.3 | Very low | 245 Ų | 245 | 141.5 Ų | 141.5 | 100% | 1.207 | 85% | 0.852 | S | S | * | * | | | | 0 | 168.4 | 0 | -77.2 | 167 | 167.8 | 0 | 0 | 108 | | |
| 2 | A | 37 | Very low | 42.2 | Very low | 93 Ų | 93 | 145.9 Ų | 145.9 | 77% | 0.769 | 86% | 0.857 | S | S | * | * | | | trans | -55.2 | 148.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 3 | V | 38.1 | Very low | 42.1 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 84% | 0.836 | 85% | 0.851 | S | S | * | * | | | cis | 65.8 | 127.8 | 42 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 4 | G | 48 | Very low | 42.4 | Very low | 70 Ų | 70 | 143.3 Ų | 143.3 | 72% | 0.722 | 85% | 0.85 | S | S | * | * | | | trans | 166 | 96.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 5 | D | 44.2 | Very low | 41.9 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | | | trans | -70.5 | 163.9 | 171.6 | -53.6 | -83.6 | 0 | 0 | 0 | 111.4 | | |
| 6 | C | 45.6 | Very low | 42 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 90% | 0.899 | 85% | 0.846 | S | S | * | * | | | trans | -140 | 146.2 | 170 | -85.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 7 | E | 43.7 | Very low | 41.9 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | | | trans | -94.8 | 171.7 | -155.1 | -64.5 | -179.9 | 105.1 | 0 | 0 | 115.6 | | |
| 8 | F | 35.9 | Very low | 41.3 | Very low | 201 Ų | 201 | 146.5 Ų | 146.5 | 88% | 0.882 | 84% | 0.839 | S | S | * | * | | | trans | -73.9 | 131.8 | 179.2 | -162.4 | -93.1 | 0 | 0 | 0 | 111.5 | | |
| 9 | V | 48.4 | Very low | 41.2 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 84% | 0.842 | 84% | 0.84 | S | S | * | * | | | trans | -112.5 | 128.3 | 170.7 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 10 | G | 38.3 | Very low | 40.9 | Very low | 57 Ų | 57 | 146.2 Ų | 146.2 | 59% | 0.588 | 84% | 0.841 | S | S | * | * | | | trans | -130.6 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 11 | C | 44 | Very low | 40.7 | Very low | 136 Ų | 136 | 145 Ų | 145 | 92% | 0.919 | 84% | 0.842 | S | S | * | * | | | trans | -130.2 | 140.4 | 163.4 | -70.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 12 | Q | 40.8 | Very low | 40.3 | Very low | 195 Ų | 195 | 137.6 Ų | 137.6 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | | | trans | -102.7 | 164.2 | -176.1 | -70.5 | -178 | -8.4 | 0 | 0 | 112.3 | | |
| 13 | T | 41.2 | Very low | 40.4 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | trans | -73.8 | 169.7 | 170.7 | 50 | 0 | 0 | 0 | 0 | 112.3 | | |
| 14 | P | 46.7 | Very low | 40.4 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | -113.7 | 139 | 148.2 | 35 | -26.9 | 0 | 0 | 0 | 111.6 | | |
| 15 | S | 34.7 | Very low | 39.9 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -131.2 | 134.1 | 171.9 | 55.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 16 | M | 42.8 | Very low | 39.5 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 89% | 0.892 | 80% | 0.804 | S | S | * | * | | | trans | -143.6 | 161.7 | -176.1 | -87.8 | -63.6 | 168.3 | 0 | 0 | 110.5 | | |
| 17 | P | 40.2 | Very low | 39 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | | | | -129.4 | -169.3 | -126.4 | 42.6 | -27.1 | 0 | 0 | 0 | 115.4 | | |
| 18 | W | 31.6 | Very low | 38.7 | Very low | 242 Ų | 242 | 140.4 Ų | 140.4 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | | | trans | -67.5 | 158.2 | -175.6 | -34.1 | -71.7 | 0 | 0 | 0 | 115.4 | | |
| 19 | S | 39.9 | Very low | 38.8 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -157.3 | 154.8 | 155.5 | -88.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 20 | L | 34.4 | Very low | 38.4 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -93.5 | 163.4 | -173.7 | -59.2 | 86.3 | 0 | 0 | 0 | 112.3 | | |
| 21 | S | 37.8 | Very low | 38.6 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -151.2 | 142.6 | 133.3 | -153.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 22 | S | 33.9 | Very low | 38.1 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | | | trans | -113.4 | -155.5 | 176.8 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 23 | E | 39 | Very low | 38 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | trans | 76.2 | 137.7 | 173.1 | -53.8 | -62.8 | 87.1 | 0 | 0 | 114.8 | | |
| 24 | L | 37.9 | Very low | 37.6 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 65% | 0.654 | 79% | 0.79 | S | S | * | * | | | cis | -159.3 | 141.5 | -2.7 | -96.9 | 150.7 | 0 | 0 | 0 | 109.7 | | |
| 25 | L | 35.8 | Very low | 37.1 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | | | trans | 55.6 | 161.8 | 147.6 | -58.3 | 174.9 | 0 | 0 | 0 | 119.8 | | |
| 26 | Q | 36.4 | Very low | 37.1 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | cis | -148.4 | 170 | 9.3 | -146.1 | 156.2 | 22.5 | 0 | 0 | 112.5 | | |
| 27 | S | 34.9 | Very low | 37 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -93.8 | 159.3 | -165.7 | -33.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 28 | V | 38.6 | Very low | 36.9 | Very low | 133 Ų | 133 | 137 Ų | 137 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | trans | -176.7 | 108.9 | 140.5 | 141.2 | 0 | 0 | 0 | 0 | 105.6 | | |
| 29 | S | 37.7 | Very low | 36.9 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | | 68 | 142.7 | 79.3 | -58.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 30 | A | 40 | Very low | 36.8 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | -167.3 | -173.4 | -19.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 31 | E | 41.8 | Very low | 36.7 | Very low | 188 Ų | 188 | 127.3 Ų | 127.3 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | cis | -139.9 | -173.3 | 9.4 | -63.7 | -179.6 | 126.3 | 0 | 0 | 110 | | |
| 32 | D | 34.8 | Very low | 36.6 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | -78.1 | 161 | -175.9 | -57.8 | -85 | 0 | 0 | 0 | 116.5 | | |
| 33 | S | 38.7 | Very low | 36.8 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | | -177 | 146 | 112.6 | 37 | 0 | 0 | 0 | 0 | 113.4 | | |
| 34 | S | 30.9 | Very low | 36.8 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -107.9 | 148.9 | -175.2 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 35 | T | 38.2 | Very low | 37 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -169.8 | 133 | 141.9 | -75.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 36 | S | 34.3 | Very low | 37 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | | | trans | -119.5 | 178.4 | 165 | 68.6 | 0 | 0 | 0 | 0 | 107.2 | | |
| 37 | P | 39.7 | Very low | 36.7 | Very low | 94 Ų | 94 | 123.8 Ų | 123.8 | 61% | 0.61 | 79% | 0.792 | S | S | * | * | | | cis | -144.1 | -154.5 | 18.7 | 37 | -11.7 | 0 | 0 | 0 | 114.7 | | |
| 38 | H | 39.4 | Very low | 37 | Very low | 182 Ų | 182 | 124.5 Ų | 124.5 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | 75.5 | 132.2 | 176.6 | -49.5 | -73.8 | 0 | 0 | 0 | 116.2 | | |
| 39 | G | 30.7 | Very low | 37.2 | Very low | 79 Ų | 79 | 128 Ų | 128 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | | | cis | 122.6 | 84 | -11.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 40 | S | 37.2 | Very low | 37.6 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -145.9 | 138.6 | 161 | 53.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 41 | S | 33.1 | Very low | 37.8 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | trans | -131.2 | 108.3 | 177.5 | -174.1 | 0 | 0 | 0 | 0 | 108.2 | A43 | S41-A43 PolarHBondContact O-N 3.32Š|
| 42 | S | 36.5 | Very low | 37.7 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -91.8 | 99.9 | 179.6 | -67 | 0 | 0 | 0 | 0 | 109.7 | | |
| 43 | A | 36.3 | Very low | 38.3 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 134.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S41 G45 | S41-A43 PolarHBondContact O-N 3.32Å; A43-G45 PolarHBondContact O-N 2.83Å |
| 44 | I | 40.3 | Very low | 38 | Very low | 169 Ų | 169 | 128.9 Ų | 128.9 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 117.6 | 174.8 | -61.7 | 174.3 | 0 | 0 | 0 | 107.8 | | |
| 45 | G | 40.7 | Very low | 38.4 | Very low | 56 Ų | 56 | 129.9 Ų | 129.9 | 58% | 0.577 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 161.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A43 | A43-G45 PolarHBondContact O-N 2.83Š|
| 46 | P | 37.4 | Very low | 38.1 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 143.5 | -177.6 | 28.4 | -35.1 | 0 | 0 | 0 | 112.3 | V48 | P46-V48 PolarHBondContact O-N 2.93Š|
| 47 | F | 30.2 | Very low | 38.3 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | -73.3 | 114.2 | 177.1 | -177.2 | -92.1 | 0 | 0 | 0 | 110.5 | W49 | F47-W49 AromaticContact CD1-CD1 3.68Å; F47-W49 AromaticContact CD1-NE1 3.78Å; F47-W49 AromaticContact CE1-CD1 3.7Å; F47-W49 HydrophobicContact CE1-CG 4.31Å; F47-W49 AromaticContact CE1-NE1 3.66Å |
| 48 | V | 40.8 | Very low | 37.9 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90 | 123.6 | 176.8 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | P46 | P46-V48 PolarHBondContact O-N 2.93Š|
| 49 | W | 42.4 | Very low | 37.8 | Very low | 207 Ų | 207 | 128.4 Ų | 128.4 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75 | 146.2 | 169.6 | -78.8 | 62.2 | 0 | 0 | 0 | 110.2 | F47 | F47-W49 AromaticContact CD1-CD1 3.68Å; F47-W49 AromaticContact CD1-NE1 3.78Å; F47-W49 AromaticContact CE1-CD1 3.7Å; F47-W49 HydrophobicContact CE1-CG 4.31Å; F47-W49 AromaticContact CE1-NE1 3.66Å |
| 50 | P | 46.5 | Very low | 38.3 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 128 | 173.3 | 30 | -33 | 0 | 0 | 0 | 110.7 | | |
| 51 | D | 43.7 | Very low | 38.5 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71 | 130.3 | 173 | -68.3 | -61.8 | 0 | 0 | 0 | 111.5 | V53 | D51-V53 PolarHBondContact O-N 3.23Š|
| 52 | D | 40.8 | Very low | 38.7 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | -67.7 | 109.9 | 170.8 | -87.7 | -44.9 | 0 | 0 | 0 | 110.4 | S54 | D52-S54 PolarHBondContact O-N 3.47Š|
| 53 | V | 45.6 | Very low | 38.7 | Very low | 137 Ų | 137 | 133 Ų | 133 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | | | trans | -69.8 | 121.3 | -175.6 | -135.7 | 0 | 0 | 0 | 0 | 110.9 | D51 V55 | D51-V53 PolarHBondContact O-N 3.23Å; V53-V55 PolarHBondContact O-N 2.79Å |
| 54 | S | 34.2 | Very low | 38.6 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -62.6 | 125.5 | -176.1 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | D52 | D52-S54 PolarHBondContact O-N 3.47Š|
| 55 | V | 37.9 | Very low | 38.4 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -119.1 | 95.1 | 159.5 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | V53 | V53-V55 PolarHBondContact O-N 2.79Š|
| 56 | C | 32 | Very low | 38.1 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | -135.6 | 90.5 | 173.8 | -81.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 57 | S | 38.5 | Very low | 38.2 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -130.1 | 102.4 | -178.5 | -63.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 58 | G | 31.2 | Very low | 38.3 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | trans | 23.3 | 118.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 59 | L | 37.9 | Very low | 38.3 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 95% | 0.953 | 80% | 0.802 | S | S | * | * | | | | -140.3 | 131.7 | 125.1 | -159.2 | 69.2 | 0 | 0 | 0 | 109.5 | | |
| 60 | E | 41.3 | Very low | 37.7 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | | | trans | -104.4 | 159.7 | -175.1 | -64.5 | 170.9 | 124.5 | 0 | 0 | 111 | | |
| 61 | D | 40.5 | Very low | 37.4 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | | | trans | 50.4 | 110.9 | 165.2 | -63.6 | -21.4 | 0 | 0 | 0 | 120.2 | | |
| 62 | G | 37.5 | Very low | 37.2 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -155.5 | 53.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 63 | S | 36.7 | Very low | 36.9 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | trans | -24.6 | 130 | -178 | -172.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 64 | S | 35.6 | Very low | 36.7 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | 72.1 | 133 | 136.8 | 65.5 | 0 | 0 | 0 | 0 | 123.3 | | |
| 65 | A | 34.7 | Very low | 37.3 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | trans | 108.6 | 121.2 | 131 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 66 | C | 35.7 | Very low | 37.9 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | 71.6 | 145.8 | 151.5 | -64.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 67 | K | 38.4 | Very low | 39.4 | Very low | 164 Ų | 164 | 120.7 Ų | 120.7 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | cis | -170 | 156.9 | -28.9 | -123.9 | 175.5 | 172.1 | -172.4 | 0 | 109.8 | | |
| 68 | D | 32.9 | Very low | 41.1 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | | | trans | 47.9 | 79.1 | 148 | -48.6 | -27.3 | 0 | 0 | 0 | 119.1 | | |
| 69 | L | 40.2 | Very low | 43.4 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 88% | 0.88 | 74% | 0.744 | S | S | * | * | | | trans | -121.5 | 96 | 148 | -81.4 | -178.8 | 0 | 0 | 0 | 110.4 | I71 | L69-I71 PolarHBondContact O-N 2.91Š|
| 70 | N | 30.8 | Very low | 45.5 | Very low | 158 Ų | 158 | 117.5 Ų | 117.5 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | | | trans | -81.2 | 94.8 | 177.2 | 179.9 | 20.8 | 0 | 0 | 0 | 110.3 | | |
| 71 | I | 40.6 | Very low | 47.3 | Very low | 153 Ų | 153 | 113.1 Ų | 113.1 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | | | trans | -86.7 | 114.2 | 170.7 | -60.7 | 179.9 | 0 | 0 | 0 | 108.3 | L69 A73 | L69-I71 PolarHBondContact O-N 2.91Å; I71-A73 PolarHBondContact O-N 3.29Å |
| 72 | S | 37.7 | Very low | 49.2 | Very low | 101 Ų | 101 | 108 Ų | 108 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | | | trans | -59.4 | 130.8 | 178 | 52.2 | 0 | 0 | 0 | 0 | 112 | S74 | S72-S74 PolarHBondContact O-N 2.79Š|
| 73 | A | 35.9 | Very low | 51.4 | Low | 85 Ų | 85 | 111 Ų | 111 | 70% | 0.702 | 66% | 0.662 | S | S | * | * | | | trans | -58.2 | 127.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I71 T75 | I71-A73 PolarHBondContact O-N 3.29Å; A73-T75 VanDerWaalsContact C-N 3.29Å; A73-T75 PolarHBondContact O-N 3.21Å; A73-T75 VanDerWaalsContact O-N 3.13Å; A73-T75 PolarHBondContact O-OG1 3.05Å |
| 74 | S | 41.4 | Very low | 53.7 | Low | 92 Ų | 92 | 113 Ų | 113 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | | | trans | -86.3 | 65.1 | 175.3 | 55.8 | 0 | 0 | 0 | 0 | 111 | S72 G76 | S72-S74 PolarHBondContact O-N 2.79Å; S74-G76 PolarHBondContact O-N 2.79Å |
| 75 | T | 46.6 | Very low | 56 | Low | 133 Ų | 133 | 111.7 Ų | 111.7 | 82% | 0.816 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 52 | -169.6 | -30.3 | 0 | 0 | 0 | 0 | 114.3 | A73 | A73-T75 VanDerWaalsContact C-N 3.29Å; A73-T75 PolarHBondContact O-N 3.21Å; A73-T75 VanDerWaalsContact O-N 3.13Å; A73-T75 PolarHBondContact O-OG1 3.05Å |
| 76 | G | 49.9 | Very low | 58.3 | Low | 47 Ų | 47 | 109 Ų | 109 | 49% | 0.485 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -167.9 | 7.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | S74 | S74-G76 PolarHBondContact O-N 2.79Š|
| 77 | T | 64.2 | Low | 60.5 | Low | 95 Ų | 95 | 107.1 Ų | 107.1 | 58% | 0.583 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -82.1 | -34 | 173.9 | 46.7 | 0 | 0 | 0 | 0 | 112.8 | D79 E80 L81 | T77-D79 PolarHBondContact O-N 3.13Å; T77-E80 WeakPolarHBondContact O-CB 3.45Å; T77-E80 PolarHBondContact O-N 3.11Å; T77-E80 VanDerWaalsContact O-N 3.1Å; T77-L81 PolarHBondContact O-N 3.18Å |
| 78 | D | 72.9 | Confident | 62.5 | Low | 122 Ų | 122 | 104 Ų | 104 | 65% | 0.652 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.1 | -44.7 | -176.1 | -133.5 | -21.6 | 0 | 0 | 0 | 112.2 | E80 L81 A82 | D78-E80 PolarHBondContact O-N 3.35Å; D78-L81 PolarHBondContact O-N 2.86Å; D78-A82 WeakPolarHBondContact O-CB 3.5Å; D78-A82 PolarHBondContact O-N 3.25Å |
| 79 | D | 79.2 | Confident | 64.6 | Low | 115 Ų | 115 | 102.4 Ų | 102.4 | 62% | 0.615 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.3 | -22.6 | 175.6 | -72.5 | -47.7 | 0 | 0 | 0 | 113.5 | T77 R83 | T77-D79 PolarHBondContact O-N 3.13Å; D79-R83 WeakPolarHBondContact O-CG 3.23Å; D79-R83 VanDerWaalsContact O-CZ 3.26Å; D79-R83 PolarHBondContact O-N 3.22Å; D79-R83 PolarHBondContact O-NE 3.16Å; D79-R83 PolarHBondContact O-NH2 3.37Å |
| 80 | E | 82.4 | Confident | 66.3 | Low | 64 Ų | 64 | 99.3 Ų | 99.3 | 30% | 0.299 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -82.1 | -41.8 | 173.2 | 177.3 | 69.5 | -168 | 0 | 0 | 110.9 | T77 D78 R83 R84 | T77-E80 WeakPolarHBondContact O-CB 3.45Å; T77-E80 PolarHBondContact O-N 3.11Å; T77-E80 VanDerWaalsContact O-N 3.1Å; D78-E80 PolarHBondContact O-N 3.35Å; E80-R83 VanDerWaalsContact CA-NH2 3.29Å; E80-R83 PolarHBondContact O-N 3.41Å; E80-R83 IonicContact OE2-CZ 3.45Å; E80-R83 IonicContact OE2-NH1 2.79Å; E80-R83 PolarHBondContact OE2-NH1 3Å; E80-R83 IonicContact OE2-NH2 3.63Å; E80-R83 PolarHBondContact OE2-NH2 3.19Å; E80-R84 WeakPolarHBondContact O-CG 3.48Å; E80-R84 PolarHBondContact O-N 3.31Å; E80-R84 IonicContact OE1-CZ 2.73Å; E80-R84 IonicContact OE1-NE 2.72Å; E80-R84 PolarHBondContact OE1-NE 3.12Å; E80-R84 IonicContact OE1-NH2 3.14Å; E80-R84 PolarHBondContact OE1-NH2 3.33Å |
| 81 | L | 79.8 | Confident | 68.5 | Low | 81 Ų | 81 | 94.9 Ų | 94.9 | 42% | 0.424 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.3 | -51.7 | 173.8 | -166.1 | 78.9 | 0 | 0 | 0 | 110.7 | T77 D78 R83 R84 V85 | T77-L81 PolarHBondContact O-N 3.18Å; D78-L81 PolarHBondContact O-N 2.86Å; L81-R83 VanDerWaalsContact C-N 3.3Å; L81-R83 PolarHBondContact O-N 2.88Å; L81-R84 PolarHBondContact O-N 3.44Å; L81-V85 WeakPolarHBondContact O-CG2 3.48Å; L81-V85 PolarHBondContact O-N 2.87Å |
| 82 | A | 81.2 | Confident | 70.1 | Confident | 63 Ų | 63 | 91.9 Ų | 91.9 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.1 | -39.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D78 G86 | D78-A82 WeakPolarHBondContact O-CB 3.5Å; D78-A82 PolarHBondContact O-N 3.25Å; A82-G86 PolarHBondContact O-N 3.44Å |
| 83 | R | 83.5 | Confident | 71.7 | Confident | 146 Ų | 146 | 92 Ų | 92 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.2 | -36.3 | 175 | -78.8 | -177.8 | -69.7 | 100.4 | 0.9 | 113 | D79 E80 L81 S87 | D79-R83 WeakPolarHBondContact O-CG 3.23Å; D79-R83 VanDerWaalsContact O-CZ 3.26Å; D79-R83 PolarHBondContact O-N 3.22Å; D79-R83 PolarHBondContact O-NE 3.16Å; D79-R83 PolarHBondContact O-NH2 3.37Å; E80-R83 VanDerWaalsContact CA-NH2 3.29Å; E80-R83 PolarHBondContact O-N 3.41Å; E80-R83 IonicContact OE2-CZ 3.45Å; E80-R83 IonicContact OE2-NH1 2.79Å; E80-R83 PolarHBondContact OE2-NH1 3Å; E80-R83 IonicContact OE2-NH2 3.63Å; E80-R83 PolarHBondContact OE2-NH2 3.19Å; L81-R83 VanDerWaalsContact C-N 3.3Å; L81-R83 PolarHBondContact O-N 2.88Å; R83-S87 WeakPolarHBondContact O-CB 3.36Å; R83-S87 PolarHBondContact O-N 3.38Å |
| 84 | R | 83.4 | Confident | 73.3 | Confident | 149 Ų | 149 | 94 Ų | 94 | 56% | 0.562 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.2 | -48.8 | 175 | -73.8 | 175.9 | -174.8 | -158.9 | 2.9 | 111.7 | E80 L81 G86 S87 I88 | E80-R84 WeakPolarHBondContact O-CG 3.48Å; E80-R84 PolarHBondContact O-N 3.31Å; E80-R84 IonicContact OE1-CZ 2.73Å; E80-R84 IonicContact OE1-NE 2.72Å; E80-R84 PolarHBondContact OE1-NE 3.12Å; E80-R84 IonicContact OE1-NH2 3.14Å; E80-R84 PolarHBondContact OE1-NH2 3.33Å; L81-R84 PolarHBondContact O-N 3.44Å; R84-G86 VanDerWaalsContact C-N 3.33Å; R84-G86 PolarHBondContact O-N 3.02Å; R84-S87 PolarHBondContact O-N 2.69Å; R84-S87 VanDerWaalsContact O-N 3.14Å; R84-I88 WeakPolarHBondContact O-CG1 3.49Å; R84-I88 PolarHBondContact O-N 2.84Å |
| 85 | V | 83.8 | Confident | 74.4 | Confident | 79 Ų | 79 | 95.1 Ų | 95.1 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | L81 S87 I88 L89 | L81-V85 WeakPolarHBondContact O-CG2 3.48Å; L81-V85 PolarHBondContact O-N 2.87Å; V85-S87 PolarHBondContact O-N 3.16Å; V85-I88 PolarHBondContact O-N 2.73Å; V85-L89 HydrophobicContact CG1-CD1 4.14Å; V85-L89 WeakPolarHBondContact O-CB 3.32Å; V85-L89 PolarHBondContact O-N 2.91Å |
| 86 | G | 84.4 | Confident | 74.8 | Confident | 32 Ų | 32 | 94.6 Ų | 94.6 | 33% | 0.33 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A82 R84 L90 | A82-G86 PolarHBondContact O-N 3.44Å; R84-G86 VanDerWaalsContact C-N 3.33Å; R84-G86 PolarHBondContact O-N 3.02Å; G86-L90 PolarHBondContact O-N 3.39Å |
| 87 | S | 81.3 | Confident | 74.9 | Confident | 74 Ų | 74 | 97.3 Ų | 97.3 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 176.4 | -169.6 | 0 | 0 | 0 | 0 | 112.7 | R83 R84 V85 L90 T91 | R83-S87 WeakPolarHBondContact O-CB 3.36Å; R83-S87 PolarHBondContact O-N 3.38Å; R84-S87 PolarHBondContact O-N 2.69Å; R84-S87 VanDerWaalsContact O-N 3.14Å; V85-S87 PolarHBondContact O-N 3.16Å; S87-L90 PolarHBondContact O-N 3.16Å; S87-T91 PolarHBondContact O-N 3.36Å; S87-T91 VanDerWaalsContact O-N 3.12Å; S87-T91 PolarHBondContact O-OG1 3.27Å |
| 88 | I | 80.2 | Confident | 74.3 | Confident | 98 Ų | 98 | 97.1 Ų | 97.1 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.2 | -43 | 179 | -68.7 | 163.4 | 0 | 0 | 0 | 110.2 | R84 V85 L90 T91 I92 | R84-I88 WeakPolarHBondContact O-CG1 3.49Å; R84-I88 PolarHBondContact O-N 2.84Å; V85-I88 PolarHBondContact O-N 2.73Å; I88-L90 VanDerWaalsContact C-N 3.33Å; I88-L90 PolarHBondContact O-N 2.72Å; I88-T91 WeakPolarHBondContact CA-OG1 3.33Å; I88-T91 PolarHBondContact O-N 2.78Å; I88-T91 PolarHBondContact O-OG1 3Å; I88-I92 HydrophobicContact CG2-CD1 3.89Å; I88-I92 WeakPolarHBondContact O-CG1 3.47Å; I88-I92 PolarHBondContact O-N 2.77Å; I88-I92 VanDerWaalsContact O-N 3.08Å |
| 89 | L | 76.7 | Confident | 73 | Confident | 96 Ų | 96 | 95.7 Ų | 95.7 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 174 | -93.1 | 159.5 | 0 | 0 | 0 | 112.7 | V85 L93 | V85-L89 HydrophobicContact CG1-CD1 4.14Å; V85-L89 WeakPolarHBondContact O-CB 3.32Å; V85-L89 PolarHBondContact O-N 2.91Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 3.22Å |
| 90 | L | 76.5 | Confident | 71.3 | Confident | 102 Ų | 102 | 98.2 Ų | 98.2 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.2 | -49 | 172.6 | -107.7 | 75.5 | 0 | 0 | 0 | 111.6 | G86 S87 I88 I92 L93 E94 | G86-L90 PolarHBondContact O-N 3.39Å; S87-L90 PolarHBondContact O-N 3.16Å; I88-L90 VanDerWaalsContact C-N 3.33Å; I88-L90 PolarHBondContact O-N 2.72Å; L90-I92 VanDerWaalsContact C-N 3.31Å; L90-I92 PolarHBondContact O-N 2.98Å; L90-L93 PolarHBondContact O-N 3.11Å; L90-E94 WeakPolarHBondContact O-CB 3.34Å; L90-E94 WeakPolarHBondContact O-CG 3.39Å; L90-E94 PolarHBondContact O-N 3.4Å |
| 91 | T | 76.5 | Confident | 69.3 | Low | 66 Ų | 66 | 100 Ų | 100 | 41% | 0.405 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.4 | -39 | -178.8 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | S87 I88 E94 D95 | S87-T91 PolarHBondContact O-N 3.36Å; S87-T91 VanDerWaalsContact O-N 3.12Å; S87-T91 PolarHBondContact O-OG1 3.27Å; I88-T91 WeakPolarHBondContact CA-OG1 3.33Å; I88-T91 PolarHBondContact O-N 2.78Å; I88-T91 PolarHBondContact O-OG1 3Å; T91-E94 PolarHBondContact O-N 3.48Å; T91-D95 WeakPolarHBondContact O-CB 3.43Å; T91-D95 PolarHBondContact O-N 3.15Å |
| 92 | I | 74.4 | Confident | 67.4 | Low | 89 Ų | 89 | 100.5 Ų | 100.5 | 46% | 0.456 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.2 | -43.8 | 177.2 | -66.2 | 164.2 | 0 | 0 | 0 | 111 | I88 L90 D96 | I88-I92 HydrophobicContact CG2-CD1 3.89Å; I88-I92 WeakPolarHBondContact O-CG1 3.47Å; I88-I92 PolarHBondContact O-N 2.77Å; I88-I92 VanDerWaalsContact O-N 3.08Å; L90-I92 VanDerWaalsContact C-N 3.31Å; L90-I92 PolarHBondContact O-N 2.98Å; I92-D96 PolarHBondContact O-N 2.82Å; I92-D96 VanDerWaalsContact O-N 3.1Å |
| 93 | L | 72.1 | Confident | 65.4 | Low | 105 Ų | 105 | 106.1 Ų | 106.1 | 55% | 0.55 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -72.2 | -29.1 | 179.8 | -67.5 | 170.5 | 0 | 0 | 0 | 113.2 | L89 L90 S97 | L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 3.22Å; L90-L93 PolarHBondContact O-N 3.11Å; L93-S97 WeakPolarHBondContact O-CB 3.38Å; L93-S97 PolarHBondContact O-N 3.08Å; L93-S97 PolarHBondContact O-OG 3.45Å |
| 94 | E | 69.8 | Low | 63.2 | Low | 126 Ų | 126 | 108.8 Ų | 108.8 | 59% | 0.589 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.5 | -40 | 174.3 | -73.1 | 177.8 | 178.4 | 0 | 0 | 111.7 | L90 T91 S97 | L90-E94 WeakPolarHBondContact O-CB 3.34Å; L90-E94 WeakPolarHBondContact O-CG 3.39Å; L90-E94 PolarHBondContact O-N 3.4Å; T91-E94 PolarHBondContact O-N 3.48Å; E94-S97 PolarHBondContact O-N 2.91Å |
| 95 | D | 62.8 | Low | 60.9 | Low | 116 Ų | 116 | 106.7 Ų | 106.7 | 62% | 0.62 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.7 | -47.8 | 176 | -79 | -29.4 | 0 | 0 | 0 | 111.9 | T91 S97 S98 | T91-D95 WeakPolarHBondContact O-CB 3.43Å; T91-D95 PolarHBondContact O-N 3.15Å; D95-S97 PolarHBondContact O-N 3.41Å; D95-S97 VanDerWaalsContact O-N 3.16Å; D95-S98 WeakPolarHBondContact O-CB 3.22Å; D95-S98 PolarHBondContact O-N 3.12Å; D95-S98 VanDerWaalsContact O-N 3.16Å; D95-S98 PolarHBondContact O-OG 3.35Å |
| 96 | D | 55.8 | Low | 58.5 | Low | 121 Ų | 121 | 110.6 Ų | 110.6 | 65% | 0.647 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -61.1 | -23.9 | 177.5 | -86.2 | -21 | 0 | 0 | 0 | 113.1 | I92 S98 | I92-D96 PolarHBondContact O-N 2.82Å; I92-D96 VanDerWaalsContact O-N 3.1Å; D96-S98 VanDerWaalsContact C-N 3.27Å; D96-S98 PolarHBondContact O-N 3.26Å |
| 97 | S | 52.4 | Low | 55.9 | Low | 105 Ų | 105 | 114.8 Ų | 114.8 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -1.2 | 179.6 | -63.4 | 0 | 0 | 0 | 0 | 114.5 | L93 E94 D95 | L93-S97 WeakPolarHBondContact O-CB 3.38Å; L93-S97 PolarHBondContact O-N 3.08Å; L93-S97 PolarHBondContact O-OG 3.45Å; E94-S97 PolarHBondContact O-N 2.91Å; D95-S97 PolarHBondContact O-N 3.41Å; D95-S97 VanDerWaalsContact O-N 3.16Å |
| 98 | S | 50.3 | Low | 53.7 | Low | 90 Ų | 90 | 118.9 Ų | 118.9 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -8.9 | -165.7 | 72.6 | 0 | 0 | 0 | 0 | 116.5 | D95 D96 | D95-S98 WeakPolarHBondContact O-CB 3.22Å; D95-S98 PolarHBondContact O-N 3.12Å; D95-S98 VanDerWaalsContact O-N 3.16Å; D95-S98 PolarHBondContact O-OG 3.35Å; D96-S98 VanDerWaalsContact C-N 3.27Å; D96-S98 PolarHBondContact O-N 3.26Å |
| 99 | S | 45.9 | Very low | 51.6 | Low | 92 Ų | 92 | 119.6 Ų | 119.6 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -96.5 | -20.3 | -158.9 | 54.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 100 | D | 43.6 | Very low | 49.7 | Very low | 169 Ų | 169 | 122.1 Ų | 122.1 | 90% | 0.904 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -106.6 | 27.5 | -162.4 | -125.4 | -5.8 | 0 | 0 | 0 | 115.2 | | |
| 101 | A | 41.2 | Very low | 48.1 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -131.8 | 26.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 102 | A | 40.5 | Very low | 46.2 | Very low | 91 Ų | 91 | 133 Ų | 133 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -136.8 | 11.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 103 | Q | 39.2 | Very low | 44.5 | Very low | 182 Ų | 182 | 135.7 Ų | 135.7 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | -140.1 | 77.1 | 176.9 | -67 | -166.2 | 12.2 | 0 | 0 | 114.4 | | |
| 104 | H | 36.2 | Very low | 43 | Very low | 201 Ų | 201 | 138.8 Ų | 138.8 | 93% | 0.931 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -168.8 | 65.4 | 155.1 | -106.1 | -62.1 | 0 | 0 | 0 | 113.7 | | |
| 105 | S | 34.8 | Very low | 41.4 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -163.1 | 159.9 | 163.1 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 106 | N | 33.8 | Very low | 40.2 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | | | trans | 63.7 | 70 | 169.1 | -62 | -5.1 | 0 | 0 | 0 | 117.3 | | |
| 107 | C | 29.3 | Very low | 39.2 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | -150.5 | 153.8 | 136.6 | -149.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 108 | L | 35 | Very low | 38.5 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | 66.2 | 89 | 177.7 | -51.1 | 179.1 | 0 | 0 | 0 | 117.1 | | |
| 109 | S | 36.4 | Very low | 37.9 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | | | | -170.2 | 160 | 125.8 | -79.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 110 | D | 37.1 | Very low | 37.5 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | | | trans | 53 | 91.8 | 162.9 | -57.7 | -22.5 | 0 | 0 | 0 | 120.1 | | |
| 111 | E | 43.2 | Very low | 37.3 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | | | | -153.1 | 114.7 | 107.5 | -134.3 | -175.6 | 133.5 | 0 | 0 | 112.6 | | |
| 112 | F | 37.2 | Very low | 37.1 | Very low | 196 Ų | 196 | 145.7 Ų | 145.7 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | trans | -103.6 | 109.7 | 172.7 | -104.8 | -91 | 0 | 0 | 0 | 109.8 | | |
| 113 | Q | 38.8 | Very low | 37.2 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | | | trans | 169.6 | 134 | 131.3 | -97 | 165.6 | 73.1 | 0 | 0 | 115.4 | | |
| 114 | K | 40.1 | Very low | 37.1 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | | | trans | 67.9 | 151.7 | 154.8 | -59.5 | 154.2 | 180 | 147.8 | 0 | 117 | | |
| 115 | M | 36.8 | Very low | 37.1 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | | | cis | -165 | 127.1 | -24.2 | -108.3 | -67.2 | -170.4 | 0 | 0 | 107.2 | | |
| 116 | L | 36 | Very low | 37.5 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | 61.2 | 136.8 | 159.8 | -66.6 | 159.3 | 0 | 0 | 0 | 120.2 | | |
| 117 | P | 35.8 | Very low | 37.6 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | | | trans | -112.6 | 154.6 | 172.7 | 39.7 | -31.6 | 0 | 0 | 0 | 115.2 | | |
| 118 | S | 38.2 | Very low | 37.7 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | | | trans | -160.1 | 114.1 | 159.7 | 49.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 119 | E | 37 | Very low | 37.9 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | | | | 90.2 | 148.2 | 86 | -80.8 | -155.1 | 107.8 | 0 | 0 | 115.6 | | |
| 120 | S | 37.1 | Very low | 37.9 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | 78.7 | 151.7 | 178.5 | 80.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 121 | T | 40.7 | Very low | 37.8 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | cis | -175.3 | 139.3 | -38 | -93.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 122 | G | 35.2 | Very low | 37.6 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | | | trans | 118 | 115.6 | 155 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 123 | P | 43.6 | Very low | 37.6 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | -117.9 | 158.7 | 173.5 | 39.7 | -29.8 | 0 | 0 | 0 | 114.5 | | |
| 124 | F | 36.6 | Very low | 37.5 | Very low | 222 Ų | 222 | 130.8 Ų | 130.8 | 97% | 0.974 | 81% | 0.805 | S | S | * | * | | | trans | -152.2 | 160.7 | 163.1 | -92.5 | -69.5 | 0 | 0 | 0 | 113.2 | | |
| 125 | S | 37 | Very low | 37.5 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | trans | -115.9 | 162.1 | -166.5 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 126 | P | 43.2 | Very low | 37.3 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | | | trans | -88.2 | 172.1 | -172 | 36.1 | -37.6 | 0 | 0 | 0 | 115 | | |
| 127 | L | 35.9 | Very low | 37.2 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 94% | 0.942 | 81% | 0.81 | S | S | * | * | | | trans | -141.6 | 160.8 | 179.6 | -131.9 | 141.7 | 0 | 0 | 0 | 112.4 | | |
| 128 | C | 31.3 | Very low | 37.2 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | | | trans | -93.5 | 165.6 | -166.7 | -170.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 129 | G | 37.9 | Very low | 37 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | trans | -155.6 | 135.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 130 | S | 37.4 | Very low | 37.2 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -145.3 | 140.8 | -179.2 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 131 | C | 35.5 | Very low | 37.1 | Very low | 114 Ų | 114 | 128 Ų | 128 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | -150.2 | 128.6 | 170.9 | -85.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 132 | L | 38.3 | Very low | 36.9 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | | | | 63.6 | 139.6 | 93.9 | -58 | 172.5 | 0 | 0 | 0 | 114.9 | | |
| 133 | S | 37.2 | Very low | 37.1 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | cis | -174.6 | 156.8 | -17.2 | -101.1 | 0 | 0 | 0 | 0 | 111 | | |
| 134 | G | 36.8 | Very low | 36.6 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | 87.1 | 161.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 135 | E | 39.5 | Very low | 36.5 | Very low | 204 Ų | 204 | 126.5 Ų | 126.5 | 95% | 0.953 | 78% | 0.775 | S | S | * | * | | | cis | -144.1 | -156.5 | -11.3 | -71.7 | -152.7 | 107.6 | 0 | 0 | 111 | | |
| 136 | K | 32.5 | Very low | 36.4 | Very low | 190 Ų | 190 | 127.9 Ų | 127.9 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | | | trans | -143.6 | 143.6 | -156 | 166.1 | -170.1 | 173 | -172.1 | 0 | 113.3 | | |
| 137 | C | 34.4 | Very low | 35.9 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 69% | 0.689 | 76% | 0.759 | S | S | * | * | | | trans | 168.2 | 117.3 | 141.6 | -95.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 138 | T | 36.3 | Very low | 35.8 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | | 78.1 | 127.7 | 103.4 | 61.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 139 | S | 32.9 | Very low | 36.1 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -93.6 | -172.7 | 163.8 | 70.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 140 | P | 41.3 | Very low | 35.9 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | | | cis | -152.1 | 172.4 | 44.3 | 45.7 | -24.3 | 0 | 0 | 0 | 119.5 | | |
| 141 | V | 34.9 | Very low | 35.9 | Very low | 123 Ų | 123 | 128 Ų | 128 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | | | trans | 41.4 | 123.1 | 135.1 | 174.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 142 | D | 37.3 | Very low | 35.7 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 62% | 0.615 | 76% | 0.757 | S | S | * | * | | | | -170.1 | 136.7 | 114.8 | -116 | -7.1 | 0 | 0 | 0 | 119.1 | | |
| 143 | K | 38.9 | Very low | 35.7 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | | | trans | 44.5 | 145.4 | 139.4 | -68.7 | 169.1 | -172 | 85.9 | 0 | 125.8 | | |
| 144 | A | 33.8 | Very low | 35.7 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | | | trans | 80.9 | 149.6 | 136.7 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 145 | L | 35 | Very low | 36.1 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | | | cis | -167.4 | 154.2 | -15.4 | -103.2 | 171.1 | 0 | 0 | 0 | 108.5 | | |
| 146 | L | 34.7 | Very low | 36 | Very low | 144 Ų | 144 | 124.8 Ų | 124.8 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | trans | 54.4 | 160.8 | 161.2 | -83.3 | 79.4 | 0 | 0 | 0 | 118.9 | | |
| 147 | S | 31.7 | Very low | 36.3 | Very low | 80 Ų | 80 | 122 Ų | 122 | 56% | 0.559 | 76% | 0.757 | S | S | * | * | | | cis | 170 | 172.7 | -44.7 | 49.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 148 | D | 34.3 | Very low | 36.5 | Very low | 133 Ų | 133 | 124 Ų | 124 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | 92.1 | 150.8 | 149.4 | -57.4 | -45.1 | 0 | 0 | 0 | 123.4 | | |
| 149 | I | 38.3 | Very low | 36.4 | Very low | 165 Ų | 165 | 123.3 Ų | 123.3 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | 90.6 | 116.6 | 166.9 | -60.7 | 130.1 | 0 | 0 | 0 | 117.6 | | |
| 150 | I | 33.5 | Very low | 36.7 | Very low | 153 Ų | 153 | 122.7 Ų | 122.7 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -95.3 | 159.2 | -179.6 | -67 | 155.3 | 0 | 0 | 0 | 109.4 | | |
| 151 | G | 36 | Very low | 36.5 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | | | trans | -153.7 | 67.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 152 | D | 31.9 | Very low | 36.7 | Very low | 153 Ų | 153 | 124.9 Ų | 124.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -74 | 144.2 | 169.2 | -73.4 | -51.7 | 0 | 0 | 0 | 112.1 | | |
| 153 | S | 39 | Very low | 36.8 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | trans | -159.6 | 148.1 | 156 | 44.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 154 | S | 37.8 | Very low | 36.5 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -140 | 150.6 | -166.3 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 155 | S | 45.3 | Very low | 36.4 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | | | trans | 165.2 | 158.4 | 164.1 | 38.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 156 | G | 36.6 | Very low | 36.4 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | | | cis | 161 | 112.4 | -4.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 157 | P | 39.3 | Very low | 36.6 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | -93 | 150.3 | -164.8 | 35.1 | -35.8 | 0 | 0 | 0 | 114.7 | | |
| 158 | V | 38.3 | Very low | 36.7 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | | | trans | -140 | 131.4 | 171.1 | -176.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 159 | S | 34.5 | Very low | 36.8 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -26.7 | 138.6 | 170.2 | -172.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 160 | A | 38.7 | Very low | 36.6 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | | -158.3 | 149.7 | 128.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 161 | M | 35.7 | Very low | 36.9 | Very low | 176 Ų | 176 | 127.7 Ų | 127.7 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -161 | 170.8 | -177.4 | -100.5 | -79.4 | -167.3 | 0 | 0 | 107.1 | | |
| 162 | P | 41 | Very low | 37.2 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | | | cis | -134.1 | -162.6 | -5.4 | 28.6 | -3.5 | 0 | 0 | 0 | 113.7 | | |
| 163 | E | 37.5 | Very low | 37.7 | Very low | 162 Ų | 162 | 132 Ų | 132 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | | | trans | 119.3 | 118.8 | 142.4 | -58.3 | -130.2 | 117.4 | 0 | 0 | 118.9 | | |
| 164 | T | 32.8 | Very low | 38.2 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | | | trans | 38.5 | 113.4 | 148.8 | 62.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 165 | F | 32.9 | Very low | 39.1 | Very low | 202 Ų | 202 | 128.6 Ų | 128.6 | 89% | 0.886 | 78% | 0.777 | S | S | * | * | | | | -150.4 | 151.3 | 107.4 | -98.1 | -68.9 | 0 | 0 | 0 | 110.1 | | |
| 166 | L | 35.6 | Very low | 39.6 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | | | trans | -72.4 | 128.8 | 176.3 | -65.9 | 165.8 | 0 | 0 | 0 | 109.3 | | |
| 167 | S | 37.1 | Very low | 40.7 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -108.4 | 102 | 169.9 | -65.2 | 0 | 0 | 0 | 0 | 108.2 | S169 | S167-S169 PolarHBondContact O-N 3.18Š|
| 168 | D | 34.3 | Very low | 42.1 | Very low | 154 Ų | 154 | 125.3 Ų | 125.3 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | | | trans | -60.8 | 132.4 | 175.6 | -70.6 | -52.9 | 0 | 0 | 0 | 110.5 | S170 | D168-S170 PolarHBondContact O-N 3.34Š|
| 169 | S | 36.5 | Very low | 43 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | | | trans | -58.8 | 130.7 | -179.1 | -60 | 0 | 0 | 0 | 0 | 111.2 | S167 S171 | S167-S169 PolarHBondContact O-N 3.18Å; S169-S171 PolarHBondContact O-N 3.2Å |
| 170 | S | 34.5 | Very low | 44.1 | Very low | 128 Ų | 128 | 123 Ų | 123 | 90% | 0.895 | 70% | 0.704 | S | S | * | * | | | trans | -55 | 100.8 | 180 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | D168 | D168-S170 PolarHBondContact O-N 3.34Š|
| 171 | S | 39.2 | Very low | 45.5 | Very low | 101 Ų | 101 | 122.5 Ų | 122.5 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | | | trans | -66 | 134.5 | 170 | 58.6 | 0 | 0 | 0 | 0 | 109.6 | S169 F173 | S169-S171 PolarHBondContact O-N 3.2Å; S171-F173 PolarHBondContact O-N 3.32Å |
| 172 | S | 43.3 | Very low | 47 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | | | trans | -54.8 | 134.4 | -178.9 | 41.2 | 0 | 0 | 0 | 0 | 112.2 | L174 | S172-L174 PolarHBondContact O-N 2.89Š|
| 173 | F | 42.3 | Very low | 47.8 | Very low | 214 Ų | 214 | 119.7 Ų | 119.7 | 94% | 0.939 | 66% | 0.662 | S | S | * | * | | | trans | -73 | 72.1 | 177.6 | -90.1 | -93.7 | 0 | 0 | 0 | 111.1 | S171 | S171-F173 PolarHBondContact O-N 3.32Š|
| 174 | L | 50.1 | Low | 48.6 | Very low | 92 Ų | 92 | 115.7 Ų | 115.7 | 48% | 0.482 | 65% | 0.645 | S | S | . | * | | | trans | -60 | 137.8 | 157.3 | -71 | 177.8 | 0 | 0 | 0 | 108.5 | S172 V178 | S172-L174 PolarHBondContact O-N 2.89Å; L174-V178 HydrophobicContact CB-CB 4.41Å; L174-V178 HydrophobicContact CD1-CG1 4.31Å; L174-V178 HydrophobicContact CD2-CG1 4.31Å |
| 175 | P | 55.4 | Low | 49.7 | Very low | 77 Ų | 77 | 117.1 Ų | 117.1 | 50% | 0.5 | 64% | 0.644 | S | S | . | * | | | trans | -55 | 141.7 | 174.3 | -25.5 | 34.1 | 0 | 0 | 0 | 110.2 | V177 V178 E179 | P175-V177 PolarHBondContact O-N 3.41Å; P175-V178 HydrophobicContact CB-CG2 4.31Å; P175-V178 HydrophobicContact CG-CG2 4.34Å; P175-V178 WeakPolarHBondContact O-CB 3.23Å; P175-V178 PolarHBondContact O-N 3.46Å; P175-E179 PolarHBondContact O-N 2.97Å |
| 176 | P | 55.6 | Low | 50.8 | Low | 100 Ų | 100 | 113.8 Ų | 113.8 | 65% | 0.649 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -54.4 | -27.4 | -174.5 | -30.1 | 35.7 | 0 | 0 | 0 | 114.5 | Q180 | P176-Q180 VanDerWaalsContact O-CB 3.29Å; P176-Q180 WeakPolarHBondContact O-CB 3.36Å; P176-Q180 WeakPolarHBondContact O-CG 3.39Å; P176-Q180 PolarHBondContact O-N 3.27Å |
| 177 | V | 61.1 | Low | 51.5 | Low | 98 Ų | 98 | 110.6 Ų | 110.6 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.9 | -39.2 | 174.1 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | P175 L181 | P175-V177 PolarHBondContact O-N 3.41Å; V177-L181 WeakPolarHBondContact O-CB 3.47Å; V177-L181 PolarHBondContact O-N 2.72Å |
| 178 | V | 66.8 | Low | 52.1 | Low | 61 Ų | 61 | 110.7 Ų | 110.7 | 37% | 0.37 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -74.4 | -42.3 | 179.9 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | L174 P175 Q180 L181 V182 | L174-V178 HydrophobicContact CB-CB 4.41Å; L174-V178 HydrophobicContact CD1-CG1 4.31Å; L174-V178 HydrophobicContact CD2-CG1 4.31Å; P175-V178 HydrophobicContact CB-CG2 4.31Å; P175-V178 HydrophobicContact CG-CG2 4.34Å; P175-V178 WeakPolarHBondContact O-CB 3.23Å; P175-V178 PolarHBondContact O-N 3.46Å; V178-Q180 VanDerWaalsContact C-N 3.34Å; V178-Q180 PolarHBondContact O-N 2.86Å; V178-L181 PolarHBondContact O-N 3.4Å; V178-L181 VanDerWaalsContact O-N 3.15Å; V178-V182 WeakPolarHBondContact O-CG2 3.39Å; V178-V182 PolarHBondContact O-N 3.1Å |
| 179 | E | 58.4 | Low | 52.7 | Low | 88 Ų | 88 | 106.5 Ų | 106.5 | 41% | 0.411 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.7 | -42.2 | 175.3 | -158.6 | -148.7 | 143.7 | 0 | 0 | 111.3 | P175 L181 V182 R183 | P175-E179 PolarHBondContact O-N 2.97Å; E179-L181 PolarHBondContact O-N 3.23Å; E179-V182 PolarHBondContact O-N 2.98Å; E179-R183 WeakPolarHBondContact O-CB 3.48Å; E179-R183 VanDerWaalsContact O-CG 3.25Å; E179-R183 WeakPolarHBondContact O-CG 3.13Å; E179-R183 PolarHBondContact O-N 3.15Å; E179-R183 WeakPolarHBondContact OE1-CD 3.48Å; E179-R183 IonicContact OE1-CZ 3.77Å; E179-R183 IonicContact OE1-NE 3.82Å; E179-R183 IonicContact OE1-NH1 3.52Å; E179-R183 PolarHBondContact OE1-NH1 2.97Å |
| 180 | Q | 58 | Low | 52.9 | Low | 121 Ų | 121 | 105 Ų | 105 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58.2 | -45.1 | 171 | -74.3 | -80.5 | -42 | 0 | 0 | 111.6 | P176 V178 R183 L184 | P176-Q180 VanDerWaalsContact O-CB 3.29Å; P176-Q180 WeakPolarHBondContact O-CB 3.36Å; P176-Q180 WeakPolarHBondContact O-CG 3.39Å; P176-Q180 PolarHBondContact O-N 3.27Å; V178-Q180 VanDerWaalsContact C-N 3.34Å; V178-Q180 PolarHBondContact O-N 2.86Å; Q180-R183 PolarHBondContact O-N 3.48Å; Q180-L184 VanDerWaalsContact O-CB 3.24Å; Q180-L184 WeakPolarHBondContact O-CB 3.36Å; Q180-L184 VanDerWaalsContact O-CG 3.24Å; Q180-L184 WeakPolarHBondContact O-CG 3.41Å; Q180-L184 PolarHBondContact O-N 3.29Å |
| 181 | L | 68.4 | Low | 53.1 | Low | 85 Ų | 85 | 103.8 Ų | 103.8 | 45% | 0.445 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.7 | -46.4 | -179.8 | -153.4 | 75.5 | 0 | 0 | 0 | 111.8 | V177 V178 E179 L184 Q185 | V177-L181 WeakPolarHBondContact O-CB 3.47Å; V177-L181 PolarHBondContact O-N 2.72Å; V178-L181 PolarHBondContact O-N 3.4Å; V178-L181 VanDerWaalsContact O-N 3.15Å; E179-L181 PolarHBondContact O-N 3.23Å; L181-L184 PolarHBondContact O-N 2.94Å; L181-Q185 VanDerWaalsContact O-CB 3.27Å; L181-Q185 WeakPolarHBondContact O-CB 3.46Å; L181-Q185 PolarHBondContact O-N 3.36Å |
| 182 | V | 66 | Low | 53.2 | Low | 64 Ų | 64 | 104.8 Ų | 104.8 | 39% | 0.388 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.5 | -44.8 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | V178 E179 Q185 M186 | V178-V182 WeakPolarHBondContact O-CG2 3.39Å; V178-V182 PolarHBondContact O-N 3.1Å; E179-V182 PolarHBondContact O-N 2.98Å; V182-Q185 PolarHBondContact O-N 2.97Å; V182-M186 HydrophobicContact CG1-CE 3.87Å; V182-M186 HydrophobicContact CG1-SD 4.18Å; V182-M186 WeakPolarHBondContact O-CG 3.46Å; V182-M186 PolarHBondContact O-N 3.17Å |
| 183 | R | 57.6 | Low | 53.1 | Low | 155 Ų | 155 | 104.5 Ų | 104.5 | 59% | 0.585 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.6 | -36.9 | 179.8 | -68.2 | 174.6 | 79.9 | 145.3 | 7.3 | 112.1 | E179 Q180 T187 | E179-R183 WeakPolarHBondContact O-CB 3.48Å; E179-R183 VanDerWaalsContact O-CG 3.25Å; E179-R183 WeakPolarHBondContact O-CG 3.13Å; E179-R183 PolarHBondContact O-N 3.15Å; E179-R183 WeakPolarHBondContact OE1-CD 3.48Å; E179-R183 IonicContact OE1-CZ 3.77Å; E179-R183 IonicContact OE1-NE 3.82Å; E179-R183 IonicContact OE1-NH1 3.52Å; E179-R183 PolarHBondContact OE1-NH1 2.97Å; Q180-R183 PolarHBondContact O-N 3.48Å; R183-T187 WeakPolarHBondContact O-CB 3.48Å; R183-T187 WeakPolarHBondContact O-CG2 3.28Å; R183-T187 PolarHBondContact O-N 2.99Å; R183-T187 PolarHBondContact O-OG1 2.87Å |
| 184 | L | 54.1 | Low | 53 | Low | 78 Ų | 78 | 102.2 Ų | 102.2 | 41% | 0.408 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.3 | -42.9 | 172.9 | -77.3 | 168.1 | 0 | 0 | 0 | 111.9 | Q180 L181 T187 Q188 | Q180-L184 VanDerWaalsContact O-CB 3.24Å; Q180-L184 WeakPolarHBondContact O-CB 3.36Å; Q180-L184 VanDerWaalsContact O-CG 3.24Å; Q180-L184 WeakPolarHBondContact O-CG 3.41Å; Q180-L184 PolarHBondContact O-N 3.29Å; L181-L184 PolarHBondContact O-N 2.94Å; L184-T187 WeakPolarHBondContact CA-OG1 3.43Å; L184-T187 PolarHBondContact O-N 3.43Å; L184-T187 PolarHBondContact O-OG1 2.93Å; L184-Q188 WeakPolarHBondContact O-CB 3.33Å; L184-Q188 WeakPolarHBondContact O-CG 3.41Å; L184-Q188 PolarHBondContact O-N 3.24Å; L184-Q188 PolarHBondContact O-NE2 3.18Å |
| 185 | Q | 57.1 | Low | 52.6 | Low | 139 Ų | 139 | 104.6 Ų | 104.6 | 65% | 0.65 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.6 | -38.4 | 177.4 | -173.6 | 169.5 | -30.5 | 0 | 0 | 111.9 | L181 V182 T189 | L181-Q185 VanDerWaalsContact O-CB 3.27Å; L181-Q185 WeakPolarHBondContact O-CB 3.46Å; L181-Q185 PolarHBondContact O-N 3.36Å; V182-Q185 PolarHBondContact O-N 2.97Å; Q185-T189 WeakPolarHBondContact O-CG2 3.24Å |
| 186 | M | 55.3 | Low | 51.7 | Low | 131 Ų | 131 | 104.8 Ų | 104.8 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.8 | -48.7 | 174 | -72.5 | -179.3 | 176.8 | 0 | 0 | 112.1 | V182 T189 | V182-M186 HydrophobicContact CG1-CE 3.87Å; V182-M186 HydrophobicContact CG1-SD 4.18Å; V182-M186 WeakPolarHBondContact O-CG 3.46Å; V182-M186 PolarHBondContact O-N 3.17Å; M186-T189 PolarHBondContact O-N 3.46Å; M186-T189 PolarHBondContact O-OG1 3.14Å |
| 187 | T | 50.6 | Low | 50.9 | Low | 97 Ų | 97 | 107.6 Ų | 107.6 | 60% | 0.595 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.9 | -32 | -175.5 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | R183 L184 T189 A190 | R183-T187 WeakPolarHBondContact O-CB 3.48Å; R183-T187 WeakPolarHBondContact O-CG2 3.28Å; R183-T187 PolarHBondContact O-N 2.99Å; R183-T187 PolarHBondContact O-OG1 2.87Å; L184-T187 WeakPolarHBondContact CA-OG1 3.43Å; L184-T187 PolarHBondContact O-N 3.43Å; L184-T187 PolarHBondContact O-OG1 2.93Å; T187-T189 VanDerWaalsContact C-N 3.27Å; T187-T189 PolarHBondContact O-N 3.07Å; T187-A190 PolarHBondContact O-N 2.99Å |
| 188 | Q | 50.5 | Low | 49.7 | Very low | 119 Ų | 119 | 109.3 Ų | 109.3 | 56% | 0.556 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.4 | -14.9 | 179.2 | -73.5 | 177 | 65.4 | 0 | 0 | 114.1 | L184 A190 | L184-Q188 WeakPolarHBondContact O-CB 3.33Å; L184-Q188 WeakPolarHBondContact O-CG 3.41Å; L184-Q188 PolarHBondContact O-N 3.24Å; L184-Q188 PolarHBondContact O-NE2 3.18Å; Q188-A190 PolarHBondContact O-N 3.02Å |
| 189 | T | 45.3 | Very low | 48.4 | Very low | 66 Ų | 66 | 118.8 Ų | 118.8 | 41% | 0.405 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77 | 6.3 | 175.9 | 65.3 | 0 | 0 | 0 | 0 | 114.7 | Q185 M186 T187 K486 | Q185-T189 WeakPolarHBondContact O-CG2 3.24Å; M186-T189 PolarHBondContact O-N 3.46Å; M186-T189 PolarHBondContact O-OG1 3.14Å; T187-T189 VanDerWaalsContact C-N 3.27Å; T187-T189 PolarHBondContact O-N 3.07Å; T189-K486 PolarHBondContact OG1-NZ 2.97Å |
| 190 | A | 40.5 | Very low | 47.2 | Very low | 86 Ų | 86 | 120.2 Ų | 120.2 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | | | trans | -99.3 | 48.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T187 Q188 | T187-A190 PolarHBondContact O-N 2.99Å; Q188-A190 PolarHBondContact O-N 3.02Å |
| 191 | S | 38.8 | Very low | 46.4 | Very low | 102 Ų | 102 | 119.9 Ų | 119.9 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 126.6 | 172.1 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 192 | P | 42.6 | Very low | 44.9 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 132 | -177.7 | 28.8 | -34 | 0 | 0 | 0 | 111.5 | N194 | P192-N194 PolarHBondContact O-N 3.06Š|
| 193 | S | 41.2 | Very low | 43.4 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 122.3 | 172.4 | 54 | 0 | 0 | 0 | 0 | 110.6 | N195 | S193-N195 PolarHBondContact O-N 2.99Š|
| 194 | N | 39.7 | Very low | 42.3 | Very low | 166 Ų | 166 | 127 Ų | 127 | 89% | 0.888 | 74% | 0.74 | S | S | * | * | | | trans | -63.4 | 93.9 | 174.3 | -85.7 | -20.2 | 0 | 0 | 0 | 111.6 | P192 | P192-N194 PolarHBondContact O-N 3.06Š|
| 195 | N | 42.3 | Very low | 41.4 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | trans | -91.8 | 128.9 | 148.9 | -68.9 | -15.6 | 0 | 0 | 0 | 106.8 | S193 D197 | S193-N195 PolarHBondContact O-N 2.99Å; N195-D197 PolarHBondContact O-N 3.03Å |
| 196 | G | 35.2 | Very low | 40.4 | Very low | 81 Ų | 81 | 126.3 Ų | 126.3 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | | | trans | -82.7 | 98.3 | -167 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 197 | D | 40.1 | Very low | 39.2 | Very low | 159 Ų | 159 | 127 Ų | 127 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | trans | -122.9 | 129.6 | 164 | -87.6 | -58.4 | 0 | 0 | 0 | 110.8 | N195 W199 | N195-D197 PolarHBondContact O-N 3.03Å; D197-W199 PolarHBondContact O-N 2.98Å |
| 198 | T | 35.5 | Very low | 38.4 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | | | trans | -87.3 | 101.1 | -171.3 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 199 | W | 40.4 | Very low | 37.5 | Very low | 260 Ų | 260 | 130.9 Ų | 130.9 | 99% | 0.985 | 79% | 0.788 | S | S | * | * | | | trans | -126.5 | 104.9 | 162 | -80.9 | -19.6 | 0 | 0 | 0 | 113 | D197 | D197-W199 PolarHBondContact O-N 2.98Š|
| 200 | S | 32.5 | Very low | 37 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -89.2 | 123.2 | 169.5 | -63.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 201 | S | 40.7 | Very low | 36.6 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | | | trans | -165.5 | 133.3 | 148.4 | -89.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 202 | S | 37.3 | Very low | 36.4 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | | | trans | 63.7 | 114.6 | 145.2 | -57.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 203 | K | 33.9 | Very low | 36 | Very low | 214 Ų | 214 | 138.9 Ų | 138.9 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | | | trans | -94.2 | 121 | 167 | -66.2 | 173.4 | 175.1 | 177 | 0 | 111.8 | | |
| 204 | S | 35.5 | Very low | 35.5 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | | | trans | -176.3 | 154.9 | 149.9 | 55.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 205 | S | 35.7 | Very low | 35.5 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 69% | 0.692 | 82% | 0.824 | S | S | * | * | | | cis | -148.5 | 160.6 | 4.7 | -159 | 0 | 0 | 0 | 0 | 112 | | |
| 206 | T | 36 | Very low | 34.9 | Very low | 104 Ų | 104 | 147 Ų | 147 | 64% | 0.638 | 83% | 0.832 | S | S | * | * | | | trans | 15.8 | 131.3 | 147.5 | 52.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 207 | D | 29.8 | Very low | 34.8 | Very low | 146 Ų | 146 | 154.3 Ų | 154.3 | 78% | 0.781 | 84% | 0.835 | S | S | * | * | | | | 57.6 | 105.3 | 129.3 | -48.1 | -29.5 | 0 | 0 | 0 | 120.8 | | |
| 208 | C | 33.6 | Very low | 34.5 | Very low | 134 Ų | 134 | 153 Ų | 153 | 91% | 0.905 | 83% | 0.828 | S | S | * | * | | | trans | -132.3 | 105.7 | 146.4 | -92.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 209 | L | 32.2 | Very low | 34.3 | Very low | 162 Ų | 162 | 156.3 Ų | 156.3 | 85% | 0.848 | 83% | 0.834 | S | S | * | * | | | trans | -73.4 | 130 | 169.3 | -68.8 | 167.6 | 0 | 0 | 0 | 109.1 | | |
| 210 | L | 34.6 | Very low | 33.9 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | trans | -128.9 | 64.8 | 167.8 | -152.8 | 75.2 | 0 | 0 | 0 | 111.5 | D212 | L210-D212 PolarHBondContact O-N 3.36Š|
| 211 | S | 31 | Very low | 33.8 | Very low | 107 Ų | 107 | 156.6 Ų | 156.6 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | | | trans | -83.6 | 84.9 | 163.4 | -59.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 212 | D | 34.6 | Very low | 33.4 | Very low | 149 Ų | 149 | 158.9 Ų | 158.9 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | | | trans | -168.6 | 99.3 | 162.6 | -100.6 | -29.7 | 0 | 0 | 0 | 111.4 | L210 | L210-D212 PolarHBondContact O-N 3.36Š|
| 213 | C | 34.4 | Very low | 33.2 | Very low | 124 Ų | 124 | 160.1 Ų | 160.1 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | | | trans | -177.9 | 74 | 160 | -111.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 214 | F | 31.2 | Very low | 33.4 | Very low | 203 Ų | 203 | 152.8 Ų | 152.8 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | | | trans | -143 | 101 | 170 | -99 | -70.2 | 0 | 0 | 0 | 112.2 | R216 | F214-R216 PolarHBondContact O-N 3.39Š|
| 215 | P | 40.1 | Very low | 33.6 | Very low | 126 Ų | 126 | 154.8 Ų | 154.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -73 | 105 | 170.5 | -12.5 | 28.4 | 0 | 0 | 0 | 110.2 | R217 | P215-R217 PolarHBondContact O-N 3.13Š|
| 216 | R | 29.4 | Very low | 33.8 | Very low | 249 Ų | 249 | 157.2 Ų | 157.2 | 94% | 0.94 | 82% | 0.822 | S | S | * | * | | | trans | -69 | 124.6 | 167.8 | -74.9 | -176.4 | 172.5 | -170.4 | -1.9 | 109.4 | F214 | F214-R216 PolarHBondContact O-N 3.39Š|
| 217 | R | 32.5 | Very low | 33.9 | Very low | 234 Ų | 234 | 159.2 Ų | 159.2 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | | | trans | -132 | 105.3 | 169.9 | -156.5 | 168.4 | -171.1 | 159.2 | 1.7 | 112 | P215 | P215-R217 PolarHBondContact O-N 3.13Š|
| 218 | N | 33.7 | Very low | 34.4 | Very low | 132 Ų | 132 | 162.9 Ų | 162.9 | 71% | 0.706 | 84% | 0.838 | S | S | * | * | | | trans | 41.3 | 99.8 | 156.8 | -57 | 7.5 | 0 | 0 | 0 | 118.5 | | |
| 219 | Q | 31.1 | Very low | 34.4 | Very low | 204 Ų | 204 | 165.6 Ų | 165.6 | 95% | 0.953 | 84% | 0.835 | S | S | * | * | | | trans | -70.4 | 126.1 | 144 | -78.2 | -177.9 | -23.2 | 0 | 0 | 109 | | |
| 220 | I | 32.5 | Very low | 34.7 | Very low | 136 Ų | 136 | 163 Ų | 163 | 70% | 0.697 | 83% | 0.83 | S | S | * | * | | | trans | -135.6 | 112.7 | 161.2 | -62.5 | 171.9 | 0 | 0 | 0 | 107.3 | | |
| 221 | R | 29.9 | Very low | 34.5 | Very low | 246 Ų | 246 | 163.2 Ų | 163.2 | 93% | 0.928 | 83% | 0.827 | S | S | * | * | | | trans | -161 | 141.4 | 150.3 | -109.7 | 167.8 | -164.5 | -176 | 4.2 | 108.5 | | |
| 222 | L | 33.1 | Very low | 34.7 | Very low | 162 Ų | 162 | 165.8 Ų | 165.8 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | | | trans | -85.3 | 149.1 | -175.4 | -60.9 | 85.9 | 0 | 0 | 0 | 110.3 | | |
| 223 | T | 32.8 | Very low | 34.7 | Very low | 148 Ų | 148 | 164.5 Ų | 164.5 | 91% | 0.908 | 83% | 0.829 | S | S | * | * | | | trans | -135.2 | 111.6 | 158.7 | 50.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 224 | G | 37.8 | Very low | 34.6 | Very low | 59 Ų | 59 | 165.6 Ų | 165.6 | 61% | 0.608 | 83% | 0.825 | S | S | * | * | | | trans | 173.5 | 147.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 225 | D | 38.8 | Very low | 34.6 | Very low | 162 Ų | 162 | 163 Ų | 163 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | | | cis | -142.3 | 170.5 | -5.2 | -71.6 | -58 | 0 | 0 | 0 | 109 | | |
| 226 | D | 40.9 | Very low | 34.3 | Very low | 149 Ų | 149 | 161.5 Ų | 161.5 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -73.7 | 155.1 | -171.1 | -59.9 | -69.9 | 0 | 0 | 0 | 115.3 | | |
| 227 | D | 37.8 | Very low | 34.7 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | | | trans | 37.3 | 106.5 | 152.5 | -72.6 | -25.9 | 0 | 0 | 0 | 121 | | |
| 228 | F | 41 | Very low | 34.9 | Very low | 224 Ų | 224 | 150.3 Ų | 150.3 | 98% | 0.982 | 79% | 0.794 | S | S | * | * | | | trans | -142.7 | 150.1 | 138.7 | -90.8 | -70.7 | 0 | 0 | 0 | 112.3 | | |
| 229 | K | 32.7 | Very low | 34.9 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -138 | 113.7 | -159.3 | 177.5 | -168.2 | 172.4 | -173.9 | 0 | 114.1 | | |
| 230 | S | 39.4 | Very low | 35 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | trans | -172.4 | 119.7 | 161.3 | 49.5 | 0 | 0 | 0 | 0 | 107 | | |
| 231 | E | 31 | Very low | 35.1 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | | 71.4 | 143.4 | 51.9 | -162.4 | 164.2 | -163.3 | 0 | 0 | 113.5 | | |
| 232 | L | 34.4 | Very low | 35.1 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | 83.2 | 98.5 | -159.6 | -54.4 | 171.6 | 0 | 0 | 0 | 113 | | |
| 233 | V | 34.5 | Very low | 35.2 | Very low | 122 Ų | 122 | 143 Ų | 143 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | | | | 89 | 111.1 | 55.2 | 174.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 234 | L | 31.7 | Very low | 35.1 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | trans | 19.2 | 127.6 | 152.8 | -72.5 | 138.5 | 0 | 0 | 0 | 120.1 | T236 | L234-T236 HydrophobicContact CD2-CG2 4.45Š|
| 235 | D | 32.1 | Very low | 34.8 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | | -150.8 | -168.1 | 96.1 | -148.9 | -23.8 | 0 | 0 | 0 | 111 | | |
| 236 | T | 32.8 | Very low | 34.3 | Very low | 94 Ų | 94 | 147.8 Ų | 147.8 | 58% | 0.577 | 79% | 0.794 | S | S | * | * | | | trans | -131.8 | 174.7 | -152 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | L234 | L234-T236 HydrophobicContact CD2-CG2 4.45Š|
| 237 | T | 39 | Very low | 34 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | | | trans | 92 | 158.8 | 161.6 | 75.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 238 | V | 36.8 | Very low | 33.7 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | 88 | 87 | 164.5 | -165 | 0 | 0 | 0 | 0 | 120.1 | | |
| 239 | L | 31.9 | Very low | 33.4 | Very low | 151 Ų | 151 | 142 Ų | 142 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | 75.7 | 97 | 134.1 | -60.2 | 176.6 | 0 | 0 | 0 | 123.9 | | |
| 240 | K | 34.5 | Very low | 33.4 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | | | | 46.4 | 145.9 | 113.4 | -75.4 | -173.3 | 173.7 | -178.3 | 0 | 123.2 | | |
| 241 | P | 35 | Very low | 33 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 165.2 | -178.9 | 38.3 | -38 | 0 | 0 | 0 | 114.9 | | |
| 242 | C | 30 | Very low | 33.2 | Very low | 129 Ų | 129 | 142 Ų | 142 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 116.4 | 179.4 | -67.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 243 | V | 34.2 | Very low | 33 | Very low | 134 Ų | 134 | 143 Ų | 143 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 147.3 | 158.2 | 175.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 244 | R | 30.7 | Very low | 32.9 | Very low | 241 Ų | 241 | 146 Ų | 146 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | | | trans | -116.2 | 113.8 | -179 | -100.4 | -175 | 168.7 | 170.5 | -2.4 | 112.7 | | |
| 245 | T | 30.8 | Very low | 33 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | | | trans | -147.1 | 116.3 | 166.4 | 49.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 246 | S | 28.8 | Very low | 32.9 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | 63.9 | 155.9 | 152.2 | 62.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 247 | S | 34.1 | Very low | 33.1 | Very low | 113 Ų | 113 | 155.2 Ų | 155.2 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | 66.8 | 136.8 | 176.4 | 60.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 248 | V | 31.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 154.3 Ų | 154.3 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | cis | 119.9 | 134.5 | 5.8 | 169.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 249 | H | 34.8 | Very low | 32.7 | Very low | 157 Ų | 157 | 153.7 Ų | 153.7 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | 65.5 | 131.4 | -164.2 | -65.6 | -73.1 | 0 | 0 | 0 | 114.5 | | |
| 250 | E | 33.1 | Very low | 32.9 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 57% | 0.57 | 79% | 0.785 | S | S | * | * | | | cis | 98.8 | 103.1 | 28.3 | -172.3 | -162.4 | 179.2 | 0 | 0 | 112.6 | | |
| 251 | Y | 32.4 | Very low | 33.2 | Very low | 174 Ų | 174 | 150.9 Ų | 150.9 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | | | | 176.7 | 155.4 | 120.6 | -108.1 | -75 | 0 | 0 | 0 | 114.3 | | |
| 252 | Q | 33.3 | Very low | 33.5 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | 63 | 114.8 | 154.3 | -84.7 | 148.6 | 34.4 | 0 | 0 | 121.8 | | |
| 253 | Q | 31.1 | Very low | 33.9 | Very low | 183 Ų | 183 | 150 Ų | 150 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | -77.8 | 159.1 | 155.9 | -55.5 | 165.2 | -48.3 | 0 | 0 | 111.1 | | |
| 254 | F | 32.2 | Very low | 34 | Very low | 185 Ų | 185 | 151 Ų | 151 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | -165.7 | 139.6 | 140.9 | -106.1 | -56.7 | 0 | 0 | 0 | 115 | | |
| 255 | R | 33.9 | Very low | 34.3 | Very low | 213 Ų | 213 | 148.1 Ų | 148.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 69.7 | 90.4 | 153.8 | -60.5 | -171.8 | -179.7 | -163.1 | -2.4 | 121.9 | | |
| 256 | N | 30.5 | Very low | 34.3 | Very low | 140 Ų | 140 | 148.8 Ų | 148.8 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | | | | 11.5 | 129 | 120.2 | -49.1 | -4.2 | 0 | 0 | 0 | 120.3 | | |
| 257 | Y | 35.7 | Very low | 34.7 | Very low | 231 Ų | 231 | 148.8 Ų | 148.8 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | | | | -169.2 | 118.2 | 129.5 | -84.8 | -69.6 | 0 | 0 | 0 | 105.9 | | |
| 258 | S | 31.7 | Very low | 34.5 | Very low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | cis | 85.3 | 86.6 | 43.8 | -62.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 259 | S | 36.2 | Very low | 34.6 | Very low | 107 Ų | 107 | 152.4 Ų | 152.4 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -177 | 109.1 | 148.8 | -151.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 260 | L | 36.6 | Very low | 34.2 | Very low | 155 Ų | 155 | 150.1 Ų | 150.1 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | | 58.8 | 136.8 | 94.1 | -61 | 170.2 | 0 | 0 | 0 | 114.6 | | |
| 261 | V | 39.8 | Very low | 34.2 | Very low | 127 Ų | 127 | 155.8 Ų | 155.8 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | cis | 171.3 | 165.6 | -8.4 | 113.2 | 0 | 0 | 0 | 0 | 105.6 | | |
| 262 | P | 41.2 | Very low | 34 | Very low | 109 Ų | 109 | 152.6 Ų | 152.6 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | | | | -116.9 | -160 | -84.5 | 40.7 | -16 | 0 | 0 | 0 | 112.4 | | |
| 263 | P | 39.4 | Very low | 33.8 | Very low | 125 Ų | 125 | 150 Ų | 150 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | -96 | 171.6 | -166.2 | 39 | -35.9 | 0 | 0 | 0 | 116.4 | | |
| 264 | I | 37.1 | Very low | 33.8 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -132.8 | 130.9 | 174.8 | -64.5 | 178.6 | 0 | 0 | 0 | 112 | | |
| 265 | E | 36.6 | Very low | 33.9 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | 13.8 | 153.1 | 151.1 | -54.1 | -177.7 | 146.5 | 0 | 0 | 123.8 | | |
| 266 | T | 30.9 | Very low | 33.6 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -95.3 | 163.5 | 174.7 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 267 | P | 36.4 | Very low | 33.4 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -131.8 | 145.7 | 145.7 | 33.7 | -20.9 | 0 | 0 | 0 | 113.8 | | |
| 268 | I | 30.2 | Very low | 33.3 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | | | trans | -83.7 | 134.6 | 170.7 | -63.1 | 164.6 | 0 | 0 | 0 | 108.7 | | |
| 269 | H | 34.6 | Very low | 33.1 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 73% | 0.731 | 77% | 0.774 | S | S | * | * | | | trans | -130.2 | 106.4 | 165.4 | -100.2 | -67.6 | 0 | 0 | 0 | 112 | W271 | H269-W271 AromaticContact ND1-NE1 3.86Š|
| 270 | S | 26.1 | Very low | 33.3 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -89.3 | 127.6 | 161.1 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 271 | W | 32.3 | Very low | 33.2 | Very low | 241 Ų | 241 | 147.3 Ų | 147.3 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | | | trans | -113 | 144.6 | 168.6 | -86.6 | 32.8 | 0 | 0 | 0 | 109.4 | H269 | H269-W271 AromaticContact ND1-NE1 3.86Š|
| 272 | S | 28.5 | Very low | 33.1 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -137.9 | 162.3 | -173.5 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 273 | S | 28.3 | Very low | 33 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | 63.2 | 141.2 | -173.5 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 274 | E | 32.8 | Very low | 32.9 | Very low | 169 Ų | 169 | 150.8 Ų | 150.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | cis | -145.4 | 162.7 | 45.2 | -87.4 | -159.2 | 72 | 0 | 0 | 116.4 | | |
| 275 | S | 32.3 | Very low | 32.7 | Very low | 90 Ų | 90 | 148 Ų | 148 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | trans | 35.6 | 147.9 | 136.6 | -54.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 276 | R | 28 | Very low | 32.8 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | | | cis | -173.2 | 154.4 | -25.8 | -166 | -175.7 | -81.1 | -169.3 | -1.7 | 107.9 | | |
| 277 | W | 27.8 | Very low | 33 | Very low | 205 Ų | 205 | 147.4 Ų | 147.4 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | trans | 73 | 154 | 174.7 | -39.2 | 110.9 | 0 | 0 | 0 | 114.2 | | |
| 278 | Y | 31.9 | Very low | 33 | Very low | 214 Ų | 214 | 152.3 Ų | 152.3 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | cis | -128.7 | 153.1 | 14.8 | -90.1 | -103.2 | 0 | 0 | 0 | 113.7 | | |
| 279 | S | 27.5 | Very low | 33.4 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -161.2 | 118.9 | 155.8 | -178 | 0 | 0 | 0 | 0 | 111 | | |
| 280 | P | 42 | Very low | 33.8 | Very low | 104 Ų | 104 | 150 Ų | 150 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | trans | -97.5 | 125.1 | 168.4 | -1.9 | 22.4 | 0 | 0 | 0 | 111.5 | | |
| 281 | K | 33.9 | Very low | 34.8 | Very low | 195 Ų | 195 | 150.4 Ų | 150.4 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | | | trans | -92.6 | 130.5 | 163.1 | -65.9 | 176 | -179.8 | 176.5 | 0 | 108.8 | | |
| 282 | H | 38 | Very low | 35.4 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 73% | 0.731 | 76% | 0.756 | S | S | * | * | | | trans | -132.4 | 120.8 | 163.4 | -86.7 | -85.7 | 0 | 0 | 0 | 112.3 | | |
| 283 | L | 37.7 | Very low | 35.8 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | | 55.5 | 105.4 | 129.4 | -56.4 | 178.5 | 0 | 0 | 0 | 118 | | |
| 284 | V | 37.9 | Very low | 36.4 | Very low | 134 Ų | 134 | 149.4 Ų | 149.4 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | | 92.2 | 127.1 | 69.4 | 159.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 285 | A | 33.8 | Very low | 36.5 | Very low | 96 Ų | 96 | 144.7 Ų | 144.7 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | | | trans | -85 | 148.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 286 | K | 38 | Very low | 36.6 | Very low | 199 Ų | 199 | 153 Ų | 153 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | | | trans | -154.6 | 102.7 | 158.1 | -138.6 | 162 | -173.8 | 173.4 | 0 | 114.6 | | |
| 287 | S | 35.1 | Very low | 37.2 | Very low | 101 Ų | 101 | 150.1 Ų | 150.1 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | trans | 4.6 | 129.7 | 148.3 | 58.4 | 0 | 0 | 0 | 0 | 121 | | |
| 288 | R | 37.5 | Very low | 37.4 | Very low | 215 Ų | 215 | 147.9 Ų | 147.9 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | | -176 | 118.9 | 125.7 | -102 | -176.5 | 147.6 | 148.3 | 0.7 | 110.7 | | |
| 289 | E | 37 | Very low | 37.6 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | | 78.8 | 109.8 | 99.9 | -75.6 | -177 | 143.4 | 0 | 0 | 116.2 | | |
| 290 | P | 43.7 | Very low | 37.9 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | | | trans | -94.7 | -165.7 | 156 | 42 | -34.5 | 0 | 0 | 0 | 109.6 | | |
| 291 | P | 46.9 | Very low | 37.4 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | cis | -118 | -127 | -10.5 | 29.1 | -3.1 | 0 | 0 | 0 | 108.3 | | |
| 292 | P | 44.9 | Very low | 37.5 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | cis | -134.3 | 165.2 | -24.9 | 39.3 | -20.9 | 0 | 0 | 0 | 117.8 | | |
| 293 | T | 36.4 | Very low | 37.2 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | | | trans | 15.4 | 116 | 152.1 | 59.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 294 | K | 42.6 | Very low | 37.1 | Very low | 211 Ų | 211 | 143.4 Ų | 143.4 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | | | trans | -140.9 | 138.5 | 133.9 | -60.6 | -179.3 | -174.4 | 174.3 | 0 | 107.1 | | |
| 295 | G | 34.4 | Very low | 36.9 | Very low | 70 Ų | 70 | 144.3 Ų | 144.3 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | cis | 115 | 77.8 | 2.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 296 | W | 34.7 | Very low | 36.9 | Very low | 265 Ų | 265 | 145.6 Ų | 145.6 | 100% | 1.004 | 79% | 0.785 | S | S | * | * | | | trans | -135.4 | 139.5 | 164.1 | -99.4 | 12 | 0 | 0 | 0 | 108.5 | | |
| 297 | T | 40.7 | Very low | 36.9 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -129.2 | 154 | -173.1 | 48.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 298 | N | 32 | Very low | 36.9 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | 57.3 | 114.8 | 160 | -56.2 | -7.2 | 0 | 0 | 0 | 118.3 | | |
| 299 | S | 34.9 | Very low | 37.1 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | | -146.1 | 158.3 | 126.5 | -157.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 300 | S | 35.1 | Very low | 37.3 | Very low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | trans | -45.2 | 143 | -160.5 | -56 | 0 | 0 | 0 | 0 | 118.4 | | |
| 301 | A | 31.2 | Very low | 37.2 | Very low | 91 Ų | 91 | 147.4 Ų | 147.4 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -70.7 | 150 | 153.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 302 | H | 35.1 | Very low | 36.6 | Very low | 163 Ų | 163 | 152.2 Ų | 152.2 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -132.8 | 100.9 | 162.7 | -91.5 | -70.9 | 0 | 0 | 0 | 110.4 | | |
| 303 | T | 32.6 | Very low | 36.4 | Very low | 118 Ų | 118 | 154.3 Ų | 154.3 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | | | trans | -77.9 | 130.6 | 167.1 | -55.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 304 | W | 34.3 | Very low | 36.3 | Very low | 236 Ų | 236 | 152.1 Ų | 152.1 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | | | trans | -139.2 | 135.4 | 157.2 | -80.5 | 107.1 | 0 | 0 | 0 | 109.8 | | |
| 305 | M | 34.3 | Very low | 36 | Very low | 152 Ų | 152 | 152 Ų | 152 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | trans | -90.4 | 160.2 | -178.5 | -65.7 | -145 | -51.9 | 0 | 0 | 111.6 | | |
| 306 | P | 34.3 | Very low | 35.7 | Very low | 124 Ų | 124 | 154.1 Ų | 154.1 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | | | trans | -61.6 | 149.7 | 166.1 | 28.7 | -36.4 | 0 | 0 | 0 | 111 | | |
| 307 | V | 38 | Very low | 35.8 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | -111 | 114.4 | 173.6 | 172.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 308 | E | 33.9 | Very low | 35.4 | Very low | 187 Ų | 187 | 148.5 Ų | 148.5 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -68.6 | 150.7 | 164.9 | -63.5 | 174.8 | 121.1 | 0 | 0 | 110 | | |
| 309 | K | 43.2 | Very low | 35.4 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | | | trans | -149.7 | 125.3 | 156.1 | -164.5 | 166.7 | -174.6 | 175.6 | 0 | 111.6 | | |
| 310 | D | 40.2 | Very low | 35.5 | Very low | 132 Ų | 132 | 146 Ų | 146 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | -61.3 | 154 | 176.9 | -51.9 | -101.9 | 0 | 0 | 0 | 113.1 | | |
| 311 | N | 42 | Very low | 35.4 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | | -151.2 | 139.4 | 106.5 | -113.6 | 0.2 | 0 | 0 | 0 | 111.5 | | |
| 312 | R | 34.2 | Very low | 35.7 | Very low | 219 Ų | 219 | 152.2 Ų | 152.2 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | trans | -90.2 | 145.7 | 166.1 | -67.2 | 177.4 | 171.1 | -166.3 | -3 | 109.2 | | |
| 313 | D | 40.3 | Very low | 35.6 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | | -173.5 | 114.1 | 127.6 | -94.2 | -35.3 | 0 | 0 | 0 | 107.3 | | |
| 314 | S | 34.7 | Very low | 35.8 | Very low | 84 Ų | 84 | 147.5 Ų | 147.5 | 59% | 0.587 | 79% | 0.791 | S | S | * | * | | | | 76.2 | 97.5 | 69.5 | 85.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 315 | F | 35 | Very low | 35.9 | Very low | 207 Ų | 207 | 143.7 Ų | 143.7 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | | | | -176.3 | 153.7 | 112 | -111.3 | -89.6 | 0 | 0 | 0 | 110.5 | | |
| 316 | C | 28.7 | Very low | 35.9 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | -125.3 | 135 | 174.3 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 317 | A | 36.8 | Very low | 36.1 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -136.1 | 124.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 318 | Q | 31.9 | Very low | 36 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | trans | -74.5 | 170.8 | -170.9 | -63.8 | 148.1 | -72.6 | 0 | 0 | 113.7 | | |
| 319 | T | 32.7 | Very low | 36.2 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | | | trans | 69 | 144.6 | 156.6 | 47.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 320 | S | 36.8 | Very low | 35.9 | Very low | 89 Ų | 89 | 138.9 Ų | 138.9 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | | | cis | -170.5 | 154.4 | -7.1 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 321 | F | 33.9 | Very low | 35.8 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | 64.1 | 155.5 | 170.1 | -65.9 | -77.7 | 0 | 0 | 0 | 115.8 | | |
| 322 | D | 36.9 | Very low | 35.4 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 69% | 0.69 | 78% | 0.782 | S | S | * | * | | | cis | -140.6 | 168.9 | 2.9 | -139.9 | -38.4 | 0 | 0 | 0 | 113.9 | | |
| 323 | S | 33.3 | Very low | 35.5 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -39.5 | 143.9 | -179 | -50.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 324 | G | 36.1 | Very low | 35.5 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -161.4 | 26.1 | -179 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 325 | I | 36.7 | Very low | 35.4 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 80% | 0.795 | 79% | 0.787 | S | S | * | * | | | trans | 31.4 | 115.5 | 161.5 | -36.3 | 178.1 | 0 | 0 | 0 | 118.8 | | |
| 326 | C | 33.5 | Very low | 35.8 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | | | trans | -97.5 | 143.1 | 156.6 | -72.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 327 | E | 39.1 | Very low | 35.9 | Very low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | -97.1 | 98.8 | 177 | -65.6 | -172.2 | 151 | 0 | 0 | 111.4 | I329 | E327-I329 PolarHBondContact O-N 2.77Š|
| 328 | D | 37.2 | Very low | 36 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | -79.9 | 105.3 | 169.2 | -86.2 | -45.9 | 0 | 0 | 0 | 110.6 | S330 | D328-S330 VanDerWaalsContact C-N 3.28Å; D328-S330 PolarHBondContact O-N 3.49Å |
| 329 | I | 38.1 | Very low | 36.2 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | | | trans | -77.2 | 78.5 | 175.4 | -52.8 | 179.1 | 0 | 0 | 0 | 110 | E327 | E327-I329 PolarHBondContact O-N 2.77Š|
| 330 | S | 36 | Very low | 36.5 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 126.8 | 168.6 | -69.9 | 0 | 0 | 0 | 0 | 110.9 | D328 | D328-S330 VanDerWaalsContact C-N 3.28Å; D328-S330 PolarHBondContact O-N 3.49Å |
| 331 | W | 37.1 | Very low | 36.3 | Very low | 242 Ų | 242 | 143 Ų | 143 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 120.1 | 178.6 | -74.2 | 74.1 | 0 | 0 | 0 | 111.2 | | |
| 332 | S | 34.1 | Very low | 36.3 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 128.1 | -173 | -56 | 0 | 0 | 0 | 0 | 113.6 | | |
| 333 | V | 36.8 | Very low | 36.2 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | trans | -105.4 | 114.5 | 165.8 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | C335 | V333-C335 PolarHBondContact O-N 3Š|
| 334 | P | 40.4 | Very low | 36.2 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -80.2 | 80.8 | -177.2 | -14.3 | 31.1 | 0 | 0 | 0 | 113.8 | H336 | P334-H336 PolarHBondContact O-N 3.1Š|
| 335 | C | 33 | Very low | 36.1 | Very low | 114 Ų | 114 | 144 Ų | 144 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -83.7 | 97.3 | 167.7 | -76.6 | 0 | 0 | 0 | 0 | 111.4 | V333 | V333-C335 PolarHBondContact O-N 3Š|
| 336 | H | 42.6 | Very low | 36 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | | | trans | -93.1 | 98.8 | 166.3 | -95 | -63.1 | 0 | 0 | 0 | 111.5 | P334 | P334-H336 PolarHBondContact O-N 3.1Š|
| 337 | Q | 32 | Very low | 36 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | trans | -105.4 | 127.9 | 168.6 | -168.8 | 176.6 | 26.1 | 0 | 0 | 109.3 | | |
| 338 | A | 37.2 | Very low | 35.8 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | | | trans | -133.4 | 127 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 339 | P | 37.6 | Very low | 35.9 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | | | trans | -99.3 | 153.7 | -166.1 | 37.1 | -35 | 0 | 0 | 0 | 113.5 | | |
| 340 | F | 37.6 | Very low | 35.9 | Very low | 215 Ų | 215 | 141.5 Ų | 141.5 | 94% | 0.943 | 77% | 0.768 | S | S | * | * | | | trans | -141.3 | 142.5 | 144.5 | -105.5 | -78.4 | 0 | 0 | 0 | 110.6 | | |
| 341 | N | 33.1 | Very low | 35.9 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | trans | -102.6 | 169 | -172.8 | -70.9 | -47.6 | 0 | 0 | 0 | 112.1 | | |
| 342 | A | 33 | Very low | 36 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | 74.3 | 144 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 343 | L | 36.1 | Very low | 35.8 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | cis | -147.2 | 167.5 | 1.5 | -151.2 | 76.8 | 0 | 0 | 0 | 111.9 | | |
| 344 | H | 33.1 | Very low | 35.9 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | | | trans | -41.3 | 158.7 | 158.9 | -72.1 | -15.8 | 0 | 0 | 0 | 115.3 | | |
| 345 | S | 34 | Very low | 35.6 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | cis | -177.3 | 171.9 | 0.7 | 43.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 346 | H | 34.4 | Very low | 35.7 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | | | trans | 81.4 | 109.1 | 142.7 | -112 | -95.6 | 0 | 0 | 0 | 121.6 | | |
| 347 | T | 34.5 | Very low | 35.6 | Very low | 90 Ų | 90 | 136 Ų | 136 | 55% | 0.552 | 77% | 0.769 | S | S | * | * | | | | 62.8 | 123.6 | 127.1 | 57.2 | 0 | 0 | 0 | 0 | 125.1 | | |
| 348 | D | 34.9 | Very low | 35.4 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 63% | 0.631 | 77% | 0.767 | S | S | * | * | | | | 80.6 | 146.8 | 123.7 | -52.5 | -7.8 | 0 | 0 | 0 | 123.6 | | |
| 349 | Y | 38.8 | Very low | 35.3 | Very low | 203 Ų | 203 | 143.3 Ų | 143.3 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | trans | 67.2 | 144 | 166.6 | -58.1 | -72.5 | 0 | 0 | 0 | 117.3 | | |
| 350 | D | 37 | Very low | 35.2 | Very low | 130 Ų | 130 | 146 Ų | 146 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | cis | -152.3 | 167 | -6.1 | -141.2 | -33.9 | 0 | 0 | 0 | 113.6 | | |
| 351 | S | 36.2 | Very low | 34.8 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -18.1 | 137.5 | 162.3 | -54.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 352 | A | 38.6 | Very low | 34.8 | Very low | 108 Ų | 108 | 144 Ų | 144 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | -158 | 138.6 | 133.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 353 | A | 31.3 | Very low | 34.7 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | trans | -128.7 | 153.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 354 | V | 37.9 | Very low | 34.7 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 92% | 0.915 | 76% | 0.761 | S | S | * | * | | | trans | -139.7 | 128.7 | 165.8 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 355 | E | 35.1 | Very low | 34.6 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -66.7 | 173.3 | 174.9 | -76.2 | -172.1 | 109.3 | 0 | 0 | 113.5 | | |
| 356 | M | 34.3 | Very low | 34.7 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | | | cis | -179.4 | -170.9 | -6.2 | -100.6 | -93.1 | -104.7 | 0 | 0 | 106.2 | | |
| 357 | P | 40 | Very low | 34.7 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | cis | -128 | 177.9 | -22.9 | 24.6 | -2.1 | 0 | 0 | 0 | 114.2 | | |
| 358 | F | 28.1 | Very low | 34.7 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | | | trans | -67.5 | 161.6 | 169.9 | -87.6 | -116.2 | 0 | 0 | 0 | 115.2 | | |
| 359 | R | 36.8 | Very low | 34.4 | Very low | 246 Ų | 246 | 150 Ų | 150 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | | | trans | -131.2 | 141.8 | 132.7 | -89.6 | -159.7 | 169.8 | -122 | -4.3 | 111.8 | | |
| 360 | Q | 33.7 | Very low | 34.3 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | trans | -83.3 | 153 | -178 | -57.3 | 144.5 | -73.3 | 0 | 0 | 111.7 | | |
| 361 | F | 31 | Very low | 34.1 | Very low | 216 Ų | 216 | 152.7 Ų | 152.7 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | | | | -143.1 | 144.5 | 121.1 | -103.8 | -77.1 | 0 | 0 | 0 | 109 | | |
| 362 | V | 32.5 | Very low | 34 | Very low | 103 Ų | 103 | 152.6 Ų | 152.6 | 62% | 0.624 | 80% | 0.804 | S | S | * | * | | | trans | -144.3 | 159.9 | -172.2 | -168.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 363 | N | 30.2 | Very low | 33.9 | Very low | 128 Ų | 128 | 155.6 Ų | 155.6 | 68% | 0.684 | 80% | 0.799 | S | S | * | * | | | trans | 70.4 | 142.9 | 165.5 | -80.2 | -13.4 | 0 | 0 | 0 | 116.4 | | |
| 364 | H | 36.2 | Very low | 33.9 | Very low | 159 Ų | 159 | 159.1 Ų | 159.1 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | | | cis | -140.4 | 151.3 | 6.9 | -84.1 | -70.3 | 0 | 0 | 0 | 111.4 | | |
| 365 | S | 30.6 | Very low | 33.7 | Very low | 121 Ų | 121 | 158 Ų | 158 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -80.8 | 138.4 | 153 | -54.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 366 | L | 37.4 | Very low | 33.7 | Very low | 161 Ų | 161 | 155.2 Ų | 155.2 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -162.8 | 137.7 | 158.6 | -113.4 | 171.4 | 0 | 0 | 0 | 110 | | |
| 367 | D | 33.2 | Very low | 33.8 | Very low | 144 Ų | 144 | 154.1 Ų | 154.1 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | | | trans | -62.7 | 138.8 | 171.5 | -76.3 | -73.4 | 0 | 0 | 0 | 112.1 | | |
| 368 | Y | 35.5 | Very low | 33.6 | Very low | 221 Ų | 221 | 154.4 Ų | 154.4 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -160.9 | 110.7 | 140.9 | -97.5 | -65.6 | 0 | 0 | 0 | 110.3 | | |
| 369 | G | 27.5 | Very low | 33.8 | Very low | 81 Ų | 81 | 152.2 Ų | 152.2 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | -85.1 | 115.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 370 | I | 38 | Very low | 33.9 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | -136.5 | 130.1 | 166.3 | -82.7 | 164.3 | 0 | 0 | 0 | 108.8 | | |
| 371 | R | 31.4 | Very low | 34 | Very low | 236 Ų | 236 | 147 Ų | 147 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | | | trans | -74.4 | 144.9 | 167.8 | -82.7 | 175.1 | 143.7 | -165.9 | -3.7 | 110.5 | | |
| 372 | P | 35.2 | Very low | 34.1 | Very low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | | | trans | -134.1 | 120.2 | 137.3 | 29.4 | -13.6 | 0 | 0 | 0 | 114.3 | | |
| 373 | H | 36.7 | Very low | 34.2 | Very low | 171 Ų | 171 | 146.5 Ų | 146.5 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | trans | 31.6 | 104.5 | 136.3 | -57.3 | -79.6 | 0 | 0 | 0 | 120.5 | | |
| 374 | L | 31.1 | Very low | 34.6 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | | | | 20.7 | 113.1 | 124.9 | -68.2 | 164.9 | 0 | 0 | 0 | 117.5 | | |
| 375 | C | 32.9 | Very low | 34.6 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | | | trans | -128.6 | 145.1 | 151.1 | -164.1 | 0 | 0 | 0 | 0 | 109 | | |
| 376 | S | 35.3 | Very low | 34.8 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 145 | -165.1 | -60.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 377 | P | 35.5 | Very low | 34.7 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 126.2 | 171.2 | 30.9 | -33.2 | 0 | 0 | 0 | 111.4 | | |
| 378 | S | 36.5 | Very low | 35 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 136.6 | 172.1 | -71.1 | 0 | 0 | 0 | 0 | 111.6 | T380 | S378-T380 PolarHBondContact O-N 2.87Š|
| 379 | T | 33.3 | Very low | 35.1 | Very low | 142 Ų | 142 | 145 Ų | 145 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | | | trans | -80.2 | 104.1 | -170.3 | -51.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 380 | T | 39.2 | Very low | 35.9 | Very low | 121 Ų | 121 | 146 Ų | 146 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | trans | -148.9 | 158.8 | 159.3 | -27.8 | 0 | 0 | 0 | 0 | 110.7 | S378 | S378-T380 PolarHBondContact O-N 2.87Š|
| 381 | M | 34.8 | Very low | 35.6 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | | | trans | 66.1 | 67.1 | 168.9 | -54 | -55.8 | -72.6 | 0 | 0 | 117.2 | | |
| 382 | L | 32.1 | Very low | 35.8 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | -95.8 | 97.6 | 155.3 | -74.4 | 173.7 | 0 | 0 | 0 | 110.1 | | |
| 383 | N | 36 | Very low | 35.7 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | | | trans | 176.6 | 105.6 | 146.3 | -102.4 | 2.4 | 0 | 0 | 0 | 110.7 | | |
| 384 | V | 38.3 | Very low | 35.6 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 90% | 0.903 | 82% | 0.823 | S | S | * | * | | | trans | -139.1 | 124.2 | 154.2 | -179.2 | 0 | 0 | 0 | 0 | 105.1 | | |
| 385 | C | 36 | Very low | 35.6 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | | | trans | -78.8 | 143 | 172.9 | -67.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 386 | S | 35.2 | Very low | 35.7 | Very low | 116 Ų | 116 | 152.6 Ų | 152.6 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -77.4 | 113.6 | 155.5 | -56.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 387 | D | 35.9 | Very low | 35.8 | Very low | 154 Ų | 154 | 154 Ų | 154 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | | | trans | -177 | 57.9 | 162.6 | -91.4 | -28.5 | 0 | 0 | 0 | 110.2 | | |
| 388 | D | 38.8 | Very low | 35.8 | Very low | 156 Ų | 156 | 159.2 Ų | 159.2 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | | | trans | -145.7 | 86.3 | 176.7 | -95.6 | -48.8 | 0 | 0 | 0 | 111.3 | | |
| 389 | W | 37.3 | Very low | 35.8 | Very low | 218 Ų | 218 | 165.4 Ų | 165.4 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | | | trans | -123.3 | 95.7 | 171.3 | -81.8 | 103.7 | 0 | 0 | 0 | 110.3 | W391 | W389-W391 PolarHBondContact O-N 2.93Š|
| 390 | P | 43.4 | Very low | 36.3 | Very low | 103 Ų | 103 | 166.6 Ų | 166.6 | 67% | 0.669 | 83% | 0.834 | S | S | * | * | | | trans | -85.1 | 74.8 | -168.3 | 33.5 | -36.6 | 0 | 0 | 0 | 114.1 | Q392 | P390-Q392 PolarHBondContact O-N 3.08Š|
| 391 | W | 31.6 | Very low | 36.4 | Very low | 238 Ų | 238 | 165.6 Ų | 165.6 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 36.4 | 173.4 | -85.1 | 101.8 | 0 | 0 | 0 | 114.5 | W389 | W389-W391 PolarHBondContact O-N 2.93Š|
| 392 | Q | 37.1 | Very low | 36.4 | Very low | 182 Ų | 182 | 163.6 Ų | 163.6 | 85% | 0.85 | 83% | 0.832 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | 5.5 | -179.4 | -74.4 | -159.6 | -7.1 | 0 | 0 | 116.4 | P390 V394 | P390-Q392 PolarHBondContact O-N 3.08Å; Q392-V394 PolarHBondContact O-N 3.22Å |
| 393 | E | 33.4 | Very low | 37 | Very low | 176 Ų | 176 | 161.6 Ų | 161.6 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | | | trans | -81.2 | 37 | -172.9 | -146.6 | 60.5 | -124.3 | 0 | 0 | 115.2 | | |
| 394 | V | 33.1 | Very low | 37.4 | Very low | 140 Ų | 140 | 160.7 Ų | 160.7 | 85% | 0.848 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -131.8 | 45.2 | 179.6 | -162.2 | 0 | 0 | 0 | 0 | 112.1 | Q392 | Q392-V394 PolarHBondContact O-N 3.22Š|
| 395 | C | 31.7 | Very low | 37.5 | Very low | 115 Ų | 115 | 161.3 Ų | 161.3 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -160.7 | 55.5 | 171 | -135.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 396 | R | 34.7 | Very low | 37.8 | Very low | 256 Ų | 256 | 161.4 Ų | 161.4 | 97% | 0.966 | 83% | 0.825 | S | S | * | * | | | trans | -162.8 | 82.9 | 161.6 | -108.1 | 147.1 | -157.8 | -165.5 | 6.9 | 115.6 | | |
| 397 | T | 37.9 | Very low | 37.9 | Very low | 137 Ų | 137 | 160.2 Ų | 160.2 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | | | trans | -75.6 | 133.3 | 164.2 | 37.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 398 | R | 34.4 | Very low | 38.2 | Very low | 232 Ų | 232 | 159.9 Ų | 159.9 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | | | trans | 50.2 | 110.2 | 162 | -57.7 | -177.8 | -178 | -153.6 | 1.5 | 118.2 | | |
| 399 | R | 37.4 | Very low | 38.4 | Very low | 248 Ų | 248 | 159.2 Ų | 159.2 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | | | | -169.9 | 143.1 | 109.5 | -99.6 | 162.9 | -154.9 | -93.3 | 4.5 | 111.1 | | |
| 400 | L | 43.8 | Very low | 38.6 | Very low | 166 Ų | 166 | 161 Ų | 161 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | | | trans | -90.5 | 140.2 | 179.5 | -69.5 | 163.1 | 0 | 0 | 0 | 111.1 | | |
| 401 | S | 41.5 | Very low | 38.7 | Very low | 100 Ų | 100 | 162.1 Ų | 162.1 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | | | trans | 31.1 | 114.7 | 150.4 | 59 | 0 | 0 | 0 | 0 | 120 | | |
| 402 | P | 35.6 | Very low | 39.1 | Very low | 132 Ų | 132 | 154.1 Ų | 154.1 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | | | trans | -88.6 | 142.7 | 169.2 | 34.9 | -32.6 | 0 | 0 | 0 | 113.3 | | |
| 403 | P | 44.5 | Very low | 39.5 | Very low | 110 Ų | 110 | 152.8 Ų | 152.8 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | | | trans | -113.3 | 123.8 | 164.8 | 34.5 | -24.2 | 0 | 0 | 0 | 113.6 | | |
| 404 | T | 44.1 | Very low | 39.9 | Very low | 136 Ų | 136 | 150.3 Ų | 150.3 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | 25.2 | 116.4 | 148.5 | 53.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 405 | L | 39.6 | Very low | 40.4 | Very low | 162 Ų | 162 | 150.7 Ų | 150.7 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -12.7 | 153.9 | 138.8 | -78.3 | 169.9 | 0 | 0 | 0 | 118.2 | | |
| 406 | P | 43.5 | Very low | 40.7 | Very low | 112 Ų | 112 | 150.8 Ų | 150.8 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | cis | -146.7 | 163.8 | 49.1 | 42.1 | -23.7 | 0 | 0 | 0 | 120 | | |
| 407 | S | 36.5 | Very low | 40.6 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | | | trans | 54 | 147.8 | 156.3 | 69.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 408 | N | 43.1 | Very low | 40.6 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | | -151.2 | 162 | 55.8 | -61.8 | -46.3 | 0 | 0 | 0 | 113.5 | | |
| 409 | N | 42.7 | Very low | 40.8 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | | | trans | -43.5 | 136.1 | 179.9 | -52.5 | -20.8 | 0 | 0 | 0 | 116.1 | | |
| 410 | W | 41.5 | Very low | 41.4 | Very low | 256 Ų | 256 | 136.6 Ų | 136.6 | 97% | 0.97 | 79% | 0.789 | S | S | * | * | | | | -138.9 | 150.5 | 125.4 | -91 | 98.1 | 0 | 0 | 0 | 109.4 | | |
| 411 | T | 45 | Very low | 41.8 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -119 | 138.8 | -163.9 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 412 | G | 39.1 | Very low | 41.8 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | | | trans | 149.3 | 144.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 413 | I | 46.5 | Very low | 42.5 | Very low | 154 Ų | 154 | 140 Ų | 140 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | 67.9 | 101.3 | 162.5 | -45.9 | 175.9 | 0 | 0 | 0 | 117 | | |
| 414 | P | 42.3 | Very low | 42.8 | Very low | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | trans | -112.9 | 91.6 | 165.2 | 35.7 | -22.8 | 0 | 0 | 0 | 112.2 | | |
| 415 | L | 43.6 | Very low | 43.2 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | trans | -153.6 | 148 | 172.4 | -68 | 176.1 | 0 | 0 | 0 | 107.8 | | |
| 416 | C | 37 | Very low | 43.7 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | | | cis | -153.8 | 171.8 | -22.9 | -124.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 417 | C | 33.8 | Very low | 44.2 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 89% | 0.892 | 76% | 0.756 | S | S | * | * | | | trans | -66.7 | 133.4 | -175.1 | -49 | 0 | 0 | 0 | 0 | 113.2 | | |
| 418 | E | 37.4 | Very low | 44.9 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | | | trans | -145.4 | 117.7 | 164.4 | -143.4 | 157.6 | -163.5 | 0 | 0 | 114 | | |
| 419 | F | 37.9 | Very low | 45.1 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | trans | 23.2 | 106.8 | 162.9 | -69 | -94.9 | 0 | 0 | 0 | 121.3 | | |
| 420 | A | 49.8 | Very low | 45.4 | Very low | 83 Ų | 83 | 143.9 Ų | 143.9 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | | | trans | -79.4 | 147.9 | 138.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 421 | P | 53.6 | Low | 45.7 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | trans | -72 | 131.8 | -173.2 | 27.8 | -34.6 | 0 | 0 | 0 | 113 | F423 | P421-F423 HydrophobicContact CB-CD2 4.49Å; P421-F423 PolarHBondContact O-N 3.12Å |
| 422 | F | 40.3 | Very low | 46 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | | | trans | -70.3 | 88.3 | 169.3 | -96 | -103.8 | 0 | 0 | 0 | 110.6 | | |
| 423 | F | 51.3 | Low | 46.2 | Very low | 166 Ų | 166 | 139 Ų | 139 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | | | trans | -86.4 | 121.7 | 158.8 | -94.7 | -86.4 | 0 | 0 | 0 | 109.6 | P421 Q425 | P421-F423 HydrophobicContact CB-CD2 4.49Å; P421-F423 PolarHBondContact O-N 3.12Å; F423-Q425 PolarHBondContact O-N 3.28Å; F423-Q425 VanDerWaalsContact O-N 3.15Å |
| 424 | P | 50.2 | Low | 46.3 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | | | trans | -68.1 | 114 | 172.6 | 27.8 | -32.1 | 0 | 0 | 0 | 109.3 | P426 | P424-P426 WeakPolarHBondContact O-CD 3.43Š|
| 425 | Q | 52.4 | Low | 46.8 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 45% | 0.449 | 76% | 0.761 | S | S | . | * | | | trans | -108.3 | 76.5 | 174.6 | -79.8 | -88.2 | -59 | 0 | 0 | 109.5 | F423 W427 L428 | F423-Q425 PolarHBondContact O-N 3.28Å; F423-Q425 VanDerWaalsContact O-N 3.15Å; Q425-W427 PolarHBondContact O-N 3.26Å; Q425-L428 HydrophobicContact CB-CD1 4.46Å |
| 426 | P | 50.7 | Low | 47 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 5.3 | -176.2 | 28.7 | -33.6 | 0 | 0 | 0 | 114.2 | P424 | P424-P426 WeakPolarHBondContact O-CD 3.43Š|
| 427 | W | 54 | Low | 47.9 | Very low | 194 Ų | 194 | 146.4 Ų | 146.4 | 74% | 0.735 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -18.6 | -175.1 | -33.2 | -39 | 0 | 0 | 0 | 113.6 | Q425 | Q425-W427 PolarHBondContact O-N 3.26Š|
| 428 | L | 50.7 | Low | 49.3 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 61% | 0.613 | 76% | 0.763 | S | S | * | * | | | trans | -93.3 | 6.3 | -171.3 | -68.6 | 178.9 | 0 | 0 | 0 | 115 | Q425 M430 | Q425-L428 HydrophobicContact CB-CD1 4.46Å; L428-M430 VanDerWaalsContact C-N 3.29Å; L428-M430 PolarHBondContact O-N 3.01Å |
| 429 | Q | 48.3 | Very low | 50.3 | Low | 189 Ų | 189 | 141.6 Ų | 141.6 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | | | trans | -89.6 | 48.2 | 171.6 | -73 | -164.3 | -19.2 | 0 | 0 | 113.3 | | |
| 430 | M | 47.3 | Very low | 51 | Low | 173 Ų | 173 | 137.5 Ų | 137.5 | 85% | 0.852 | 74% | 0.736 | S | S | * | * | | | trans | -118.4 | 18.2 | 171.1 | -70.2 | -158.7 | 70.5 | 0 | 0 | 114.1 | L428 | L428-M430 VanDerWaalsContact C-N 3.29Å; L428-M430 PolarHBondContact O-N 3.01Å |
| 431 | T | 47.9 | Very low | 51.5 | Low | 120 Ų | 120 | 136.5 Ų | 136.5 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -111.8 | 44.2 | -174.2 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 432 | S | 52 | Low | 51.7 | Low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | | | trans | -144.3 | -9.9 | 179 | -57.2 | 0 | 0 | 0 | 0 | 116 | S434 | S432-S434 VanDerWaalsContact C-N 3.29Å; S432-S434 PolarHBondContact O-N 3.12Å; S432-S434 VanDerWaalsContact O-N 3.11Å |
| 433 | C | 44.2 | Very low | 52.5 | Low | 122 Ų | 122 | 134.2 Ų | 134.2 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | | | trans | -88.3 | 54.6 | -179.3 | -78.9 | 0 | 0 | 0 | 0 | 113.4 | R435 | C433-R435 PolarHBondContact O-N 3Š|
| 434 | S | 47.2 | Very low | 52.8 | Low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 70% | 0.698 | S | S | * | * | | | trans | -72.4 | 56 | 171.8 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | S432 | S432-S434 VanDerWaalsContact C-N 3.29Å; S432-S434 PolarHBondContact O-N 3.12Å; S432-S434 VanDerWaalsContact O-N 3.11Å |
| 435 | R | 52.9 | Low | 53.2 | Low | 221 Ų | 221 | 133.9 Ų | 133.9 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | | | trans | -94.5 | 138.5 | 164.9 | -70.3 | -174.2 | -177.7 | -97.5 | 0.1 | 108.6 | C433 L437 | C433-R435 PolarHBondContact O-N 3Å; R435-L437 VanDerWaalsContact C-N 3.3Å; R435-L437 PolarHBondContact O-N 3.28Å |
| 436 | Q | 47.9 | Very low | 53.6 | Low | 192 Ų | 192 | 137.2 Ų | 137.2 | 90% | 0.897 | 71% | 0.705 | S | S | * | * | | | trans | -71.4 | 76.7 | -169.3 | -64.5 | 172 | -3.3 | 0 | 0 | 112.7 | V438 | Q436-V438 VanDerWaalsContact C-N 3.27Å; Q436-V438 PolarHBondContact O-N 3.48Å |
| 437 | L | 57.1 | Low | 54.5 | Low | 162 Ų | 162 | 137.6 Ų | 137.6 | 85% | 0.848 | 70% | 0.701 | S | S | * | * | | | trans | -73.7 | 86.9 | 159.4 | -69.5 | 177.1 | 0 | 0 | 0 | 108 | R435 P439 | R435-L437 VanDerWaalsContact C-N 3.3Å; R435-L437 PolarHBondContact O-N 3.28Å; L437-P439 VanDerWaalsContact O-CD 3.23Å; L437-P439 WeakPolarHBondContact O-CD 3.5Å |
| 438 | V | 61.5 | Low | 55.6 | Low | 125 Ų | 125 | 130.6 Ų | 130.6 | 76% | 0.758 | 68% | 0.682 | S | S | * | * | | | trans | -56.5 | 111.4 | 167.4 | 178.8 | 0 | 0 | 0 | 0 | 106.8 | Q436 N440 | Q436-V438 VanDerWaalsContact C-N 3.27Å; Q436-V438 PolarHBondContact O-N 3.48Å; V438-N440 PolarHBondContact O-N 3.43Å |
| 439 | P | 59.1 | Low | 57.3 | Low | 84 Ų | 84 | 129.2 Ų | 129.2 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | | | trans | -66.8 | 127 | -171.6 | 28.1 | -34.8 | 0 | 0 | 0 | 108.1 | L437 A441 I444 | L437-P439 VanDerWaalsContact O-CD 3.23Å; L437-P439 WeakPolarHBondContact O-CD 3.5Å; P439-A441 PolarHBondContact O-N 3.34Å; P439-I444 HydrophobicContact CB-CD1 3.66Å; P439-I444 HydrophobicContact CB-CG1 4.32Å; P439-I444 HydrophobicContact CG-CD1 3.71Å |
| 440 | N | 53.5 | Low | 59.2 | Low | 96 Ų | 96 | 122.4 Ų | 122.4 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | | | trans | -62 | 108.5 | -172.2 | -173.6 | -25.3 | 0 | 0 | 0 | 109 | V438 K442 L443 I444 | V438-N440 PolarHBondContact O-N 3.43Å; N440-K442 PolarHBondContact O-N 2.91Å; N440-K442 PolarHBondContact OD1-N 3.39Å; N440-L443 HydrophobicContact CB-CD1 4.27Å; N440-L443 HydrophobicContact CB-CG 4.45Å; N440-L443 WeakPolarHBondContact O-CA 3.47Å; N440-L443 WeakPolarHBondContact O-CB 3.22Å; N440-L443 PolarHBondContact O-N 3.02Å; N440-I444 PolarHBondContact O-N 2.97Å |
| 441 | A | 59.4 | Low | 61.2 | Low | 62 Ų | 62 | 116.2 Ų | 116.2 | 51% | 0.512 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -61.6 | -13.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P439 R445 | P439-A441 PolarHBondContact O-N 3.34Å; A441-R445 WeakPolarHBondContact O-CG 3.39Å; A441-R445 PolarHBondContact O-N 2.7Å |
| 442 | K | 58.4 | Low | 63.3 | Low | 155 Ų | 155 | 114.9 Ų | 114.9 | 67% | 0.674 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -83.6 | -11.4 | 172.3 | -59.9 | -178.9 | -179.8 | 178.5 | 0 | 114 | N440 R446 | N440-K442 PolarHBondContact O-N 2.91Å; N440-K442 PolarHBondContact OD1-N 3.39Å; K442-R446 PolarHBondContact O-NH1 3.32Å |
| 443 | L | 56.8 | Low | 65.2 | Low | 101 Ų | 101 | 115.2 Ų | 115.2 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -93.6 | -45.1 | 168.8 | -72.7 | 174.6 | 0 | 0 | 0 | 111 | N440 R445 R446 N447 | N440-L443 HydrophobicContact CB-CD1 4.27Å; N440-L443 HydrophobicContact CB-CG 4.45Å; N440-L443 WeakPolarHBondContact O-CA 3.47Å; N440-L443 WeakPolarHBondContact O-CB 3.22Å; N440-L443 PolarHBondContact O-N 3.02Å; L443-R445 VanDerWaalsContact C-N 3.26Å; L443-R445 PolarHBondContact O-N 3.44Å; L443-R446 WeakPolarHBondContact O-CA 3.17Å; L443-R446 WeakPolarHBondContact O-CB 3.48Å; L443-R446 PolarHBondContact O-N 2.9Å; L443-N447 PolarHBondContact O-N 3.02Å; L443-N447 PolarHBondContact O-OD1 3.03Å |
| 444 | I | 58.4 | Low | 67.7 | Low | 91 Ų | 91 | 114.6 Ų | 114.6 | 47% | 0.467 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -53.3 | -45.4 | 176.7 | -62 | 163.9 | 0 | 0 | 0 | 110.9 | P439 N440 R446 N447 S448 | P439-I444 HydrophobicContact CB-CD1 3.66Å; P439-I444 HydrophobicContact CB-CG1 4.32Å; P439-I444 HydrophobicContact CG-CD1 3.71Å; N440-I444 PolarHBondContact O-N 2.97Å; I444-R446 PolarHBondContact O-N 3.18Å; I444-N447 PolarHBondContact O-N 3.38Å; I444-S448 PolarHBondContact O-N 3Å; I444-S448 PolarHBondContact O-OG 2.91Å |
| 445 | R | 58.1 | Low | 69.9 | Low | 177 Ų | 177 | 114 Ų | 114 | 67% | 0.668 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.1 | -6.2 | 176.7 | -69.9 | -169.1 | -169.2 | -163.8 | 4.3 | 116 | A441 L443 S448 N449 | A441-R445 WeakPolarHBondContact O-CG 3.39Å; A441-R445 PolarHBondContact O-N 2.7Å; L443-R445 VanDerWaalsContact C-N 3.26Å; L443-R445 PolarHBondContact O-N 3.44Å; R445-S448 WeakPolarHBondContact CA-OG 3.43Å; R445-S448 PolarHBondContact O-OG 3.38Å; R445-N449 PolarHBondContact O-OD1 2.62Å |
| 446 | R | 61.1 | Low | 71.9 | Confident | 166 Ų | 166 | 109.7 Ų | 109.7 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -96.4 | -44.4 | 170.2 | -74.4 | -176.2 | 169.3 | 94.1 | -8.7 | 110.1 | K442 L443 I444 S448 N449 A450 | K442-R446 PolarHBondContact O-NH1 3.32Å; L443-R446 WeakPolarHBondContact O-CA 3.17Å; L443-R446 WeakPolarHBondContact O-CB 3.48Å; L443-R446 PolarHBondContact O-N 2.9Å; I444-R446 PolarHBondContact O-N 3.18Å; R446-S448 VanDerWaalsContact C-N 3.25Å; R446-S448 PolarHBondContact O-N 3.45Å; R446-N449 PolarHBondContact O-N 2.82Å; R446-N449 VanDerWaalsContact O-N 3.13Å; R446-A450 PolarHBondContact O-N 3.01Å |
| 447 | N | 69.2 | Low | 74.2 | Confident | 111 Ų | 111 | 104.6 Ų | 104.6 | 59% | 0.594 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.9 | -32.7 | 174.3 | -68.3 | 44.3 | 0 | 0 | 0 | 112 | L443 I444 N449 A450 A451 | L443-N447 PolarHBondContact O-N 3.02Å; L443-N447 PolarHBondContact O-OD1 3.03Å; I444-N447 PolarHBondContact O-N 3.38Å; N447-N449 VanDerWaalsContact C-N 3.32Å; N447-N449 PolarHBondContact O-N 2.79Å; N447-A450 PolarHBondContact O-N 3.18Å; N447-A451 VanDerWaalsContact O-CB 3.32Å; N447-A451 WeakPolarHBondContact O-CB 3.34Å; N447-A451 PolarHBondContact O-N 3.27Å |
| 448 | S | 77.2 | Confident | 76.1 | Confident | 48 Ų | 48 | 102 Ų | 102 | 34% | 0.336 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 173.5 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | I444 R445 R446 I452 | I444-S448 PolarHBondContact O-N 3Å; I444-S448 PolarHBondContact O-OG 2.91Å; R445-S448 WeakPolarHBondContact CA-OG 3.43Å; R445-S448 PolarHBondContact O-OG 3.38Å; R446-S448 VanDerWaalsContact C-N 3.25Å; R446-S448 PolarHBondContact O-N 3.45Å; S448-I452 WeakPolarHBondContact O-CD1 3.34Å; S448-I452 WeakPolarHBondContact O-CG1 3.42Å; S448-I452 PolarHBondContact O-N 2.93Å |
| 449 | N | 85.2 | Confident | 77.8 | Confident | 88 Ų | 88 | 101.6 Ų | 101.6 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.7 | -46 | 179.2 | -69.6 | 27.2 | 0 | 0 | 0 | 110.4 | R445 R446 N447 A451 I452 E453 | R445-N449 PolarHBondContact O-OD1 2.62Å; R446-N449 PolarHBondContact O-N 2.82Å; R446-N449 VanDerWaalsContact O-N 3.13Å; N447-N449 VanDerWaalsContact C-N 3.32Å; N447-N449 PolarHBondContact O-N 2.79Å; N449-A451 VanDerWaalsContact C-N 3.27Å; N449-A451 PolarHBondContact O-N 3.29Å; N449-I452 PolarHBondContact O-N 2.95Å; N449-I452 VanDerWaalsContact O-N 3.12Å; N449-E453 WeakPolarHBondContact O-CB 3.29Å; N449-E453 WeakPolarHBondContact O-CG 3.22Å; N449-E453 PolarHBondContact O-N 3.43Å |
| 450 | A | 89.8 | Confident | 79.6 | Confident | 46 Ų | 46 | 103.4 Ų | 103.4 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.4 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R446 N447 L454 | R446-A450 PolarHBondContact O-N 3.01Å; N447-A450 PolarHBondContact O-N 3.18Å; A450-L454 WeakPolarHBondContact O-CB 3.17Å; A450-L454 VanDerWaalsContact O-CG 3.23Å; A450-L454 WeakPolarHBondContact O-CG 3.38Å; A450-L454 PolarHBondContact O-N 2.89Å |
| 451 | A | 88.6 | Confident | 81.6 | Confident | 43 Ų | 43 | 102.3 Ų | 102.3 | 36% | 0.355 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N447 N449 L454 H455 | N447-A451 VanDerWaalsContact O-CB 3.32Å; N447-A451 WeakPolarHBondContact O-CB 3.34Å; N447-A451 PolarHBondContact O-N 3.27Å; N449-A451 VanDerWaalsContact C-N 3.27Å; N449-A451 PolarHBondContact O-N 3.29Å; A451-L454 PolarHBondContact O-N 3.46Å; A451-H455 PolarHBondContact O-CD2 3.34Å; A451-H455 PolarHBondContact O-N 3.49Å |
| 452 | I | 91.6 | Very high | 83.4 | Confident | 91 Ų | 91 | 103.6 Ų | 103.6 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.5 | -70.3 | 163.5 | 0 | 0 | 0 | 110.9 | S448 N449 H455 F456 | S448-I452 WeakPolarHBondContact O-CD1 3.34Å; S448-I452 WeakPolarHBondContact O-CG1 3.42Å; S448-I452 PolarHBondContact O-N 2.93Å; N449-I452 PolarHBondContact O-N 2.95Å; N449-I452 VanDerWaalsContact O-N 3.12Å; I452-H455 PolarHBondContact O-N 3.39Å; I452-F456 HydrophobicContact CG2-CD2 3.77Å; I452-F456 HydrophobicContact CG2-CE2 3.56Å; I452-F456 VanDerWaalsContact O-CD2 3.29Å; I452-F456 WeakPolarHBondContact O-CD2 3.41Å; I452-F456 PolarHBondContact O-N 2.77Å |
| 453 | E | 92.9 | Very high | 85.3 | Confident | 116 Ų | 116 | 100.7 Ų | 100.7 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 174.4 | -71.8 | 161.2 | -155.4 | 0 | 0 | 111.1 | N449 H455 F456 N457 | N449-E453 WeakPolarHBondContact O-CB 3.29Å; N449-E453 WeakPolarHBondContact O-CG 3.22Å; N449-E453 PolarHBondContact O-N 3.43Å; E453-H455 PolarHBondContact O-N 3.19Å; E453-F456 PolarHBondContact O-N 3.08Å; E453-N457 WeakPolarHBondContact O-CB 3.22Å; E453-N457 PolarHBondContact O-N 3.11Å; E453-N457 PolarHBondContact O-OD1 3.24Å |
| 454 | L | 95.1 | Very high | 87.2 | Confident | 109 Ų | 109 | 100 Ų | 100 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -37.5 | 173.3 | -74.4 | 168.3 | 0 | 0 | 0 | 113 | A450 A451 L458 | A450-L454 WeakPolarHBondContact O-CB 3.17Å; A450-L454 VanDerWaalsContact O-CG 3.23Å; A450-L454 WeakPolarHBondContact O-CG 3.38Å; A450-L454 PolarHBondContact O-N 2.89Å; A451-L454 PolarHBondContact O-N 3.46Å; L454-L458 WeakPolarHBondContact O-CB 3.47Å; L454-L458 VanDerWaalsContact O-CG 3.24Å; L454-L458 WeakPolarHBondContact O-CG 3.49Å; L454-L458 PolarHBondContact O-N 3.15Å |
| 455 | H | 94.4 | Very high | 89 | Confident | 110 Ų | 110 | 102.9 Ų | 102.9 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 174.8 | -83.8 | -67.3 | 0 | 0 | 0 | 112 | A451 I452 E453 L458 E459 | A451-H455 PolarHBondContact O-CD2 3.34Å; A451-H455 PolarHBondContact O-N 3.49Å; I452-H455 PolarHBondContact O-N 3.39Å; E453-H455 PolarHBondContact O-N 3.19Å; H455-L458 PolarHBondContact O-N 2.94Å; H455-E459 WeakPolarHBondContact O-CG 3.48Å; H455-E459 PolarHBondContact O-N 2.98Å |
| 456 | F | 94.9 | Very high | 90.9 | Very high | 131 Ų | 131 | 100.9 Ų | 100.9 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.7 | -44 | 175.8 | -79.1 | -61.8 | 0 | 0 | 0 | 112.3 | I452 E453 L458 E459 E460 | I452-F456 HydrophobicContact CG2-CD2 3.77Å; I452-F456 HydrophobicContact CG2-CE2 3.56Å; I452-F456 VanDerWaalsContact O-CD2 3.29Å; I452-F456 WeakPolarHBondContact O-CD2 3.41Å; I452-F456 PolarHBondContact O-N 2.77Å; E453-F456 PolarHBondContact O-N 3.08Å; F456-L458 VanDerWaalsContact C-N 3.28Å; F456-L458 PolarHBondContact O-N 3.48Å; F456-E459 PolarHBondContact O-N 2.98Å; F456-E460 PolarHBondContact O-N 3.49Å |
| 457 | N | 96.2 | Very high | 92.6 | Very high | 84 Ų | 84 | 97.8 Ų | 97.8 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -33.3 | 177.4 | -64.2 | -0.4 | 0 | 0 | 0 | 112.1 | E453 C461 | E453-N457 WeakPolarHBondContact O-CB 3.22Å; E453-N457 PolarHBondContact O-N 3.11Å; E453-N457 PolarHBondContact O-OD1 3.24Å; N457-C461 WeakPolarHBondContact O-CB 3.35Å; N457-C461 PolarHBondContact O-N 3.05Å; N457-C461 PolarHBondContact O-SG 3.44Å |
| 458 | L | 97 | Very high | 93.9 | Very high | 107 Ų | 107 | 97.8 Ų | 97.8 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.5 | -37.2 | 174.5 | -76.7 | 168.6 | 0 | 0 | 0 | 112.3 | L454 H455 F456 L462 | L454-L458 WeakPolarHBondContact O-CB 3.47Å; L454-L458 VanDerWaalsContact O-CG 3.24Å; L454-L458 WeakPolarHBondContact O-CG 3.49Å; L454-L458 PolarHBondContact O-N 3.15Å; H455-L458 PolarHBondContact O-N 2.94Å; F456-L458 VanDerWaalsContact C-N 3.28Å; F456-L458 PolarHBondContact O-N 3.48Å; L458-L462 WeakPolarHBondContact O-CB 3.35Å; L458-L462 WeakPolarHBondContact O-CD1 3.24Å; L458-L462 WeakPolarHBondContact O-CG 3.35Å; L458-L462 PolarHBondContact O-N 3.46Å; L458-L462 VanDerWaalsContact O-N 3.12Å |
| 459 | E | 96.9 | Very high | 94.9 | Very high | 117 Ų | 117 | 97.5 Ų | 97.5 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 173.5 | -71.7 | 175.4 | -178.3 | 0 | 0 | 111.2 | H455 F456 L462 D463 | H455-E459 WeakPolarHBondContact O-CG 3.48Å; H455-E459 PolarHBondContact O-N 2.98Å; F456-E459 PolarHBondContact O-N 2.98Å; E459-L462 PolarHBondContact O-N 2.94Å; E459-D463 PolarHBondContact O-N 2.83Å; E459-D463 VanDerWaalsContact O-N 3.12Å |
| 460 | E | 96.9 | Very high | 95.4 | Very high | 123 Ų | 123 | 99.8 Ų | 99.8 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.7 | -52.9 | 175.6 | -172.1 | 167.8 | -133.9 | 0 | 0 | 111.8 | F456 L462 D463 E464 | F456-E460 PolarHBondContact O-N 3.49Å; E460-L462 VanDerWaalsContact C-N 3.25Å; E460-L462 PolarHBondContact O-N 3.01Å; E460-D463 PolarHBondContact O-N 2.84Å; E460-D463 VanDerWaalsContact O-N 3.08Å; E460-E464 PolarHBondContact O-N 2.81Å |
| 461 | C | 96 | Very high | 95.8 | Very high | 73 Ų | 73 | 102.6 Ų | 102.6 | 49% | 0.493 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.4 | -34 | 176 | -75.2 | 0 | 0 | 0 | 0 | 113.5 | N457 Y465 | N457-C461 WeakPolarHBondContact O-CB 3.35Å; N457-C461 PolarHBondContact O-N 3.05Å; N457-C461 PolarHBondContact O-SG 3.44Å; C461-Y465 WeakPolarHBondContact O-CB 3.29Å; C461-Y465 PolarHBondContact O-N 2.99Å |
| 462 | L | 97.4 | Very high | 96.2 | Very high | 89 Ų | 89 | 105.8 Ų | 105.8 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72 | -35.2 | 177.3 | -77 | 169.8 | 0 | 0 | 0 | 112.2 | L458 E459 E460 R466 | L458-L462 WeakPolarHBondContact O-CB 3.35Å; L458-L462 WeakPolarHBondContact O-CD1 3.24Å; L458-L462 WeakPolarHBondContact O-CG 3.35Å; L458-L462 PolarHBondContact O-N 3.46Å; L458-L462 VanDerWaalsContact O-N 3.12Å; E459-L462 PolarHBondContact O-N 2.94Å; E460-L462 VanDerWaalsContact C-N 3.25Å; E460-L462 PolarHBondContact O-N 3.01Å; L462-R466 WeakPolarHBondContact O-CB 3.42Å; L462-R466 VanDerWaalsContact O-CD 3.29Å; L462-R466 WeakPolarHBondContact O-CD 3.42Å; L462-R466 WeakPolarHBondContact O-CG 3.15Å; L462-R466 PolarHBondContact O-N 2.66Å |
| 463 | D | 97.1 | Very high | 96.4 | Very high | 94 Ų | 94 | 107 Ų | 107 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -76.9 | -34.4 | 175.5 | -84.2 | -19.7 | 0 | 0 | 0 | 113 | E459 E460 R466 L467 | E459-D463 PolarHBondContact O-N 2.83Å; E459-D463 VanDerWaalsContact O-N 3.12Å; E460-D463 PolarHBondContact O-N 2.84Å; E460-D463 VanDerWaalsContact O-N 3.08Å; D463-R466 PolarHBondContact O-N 2.73Å; D463-R466 WeakPolarHBondContact OD1-CD 3.32Å; D463-R466 IonicContact OD1-CZ 3.88Å; D463-R466 IonicContact OD1-NE 2.78Å; D463-R466 IonicContact OD1-NH1 3.21Å; D463-R466 PolarHBondContact OD1-NH1 3.29Å; D463-L467 PolarHBondContact O-N 3.45Å |
| 464 | E | 97.2 | Very high | 96.6 | Very high | 86 Ų | 86 | 107.5 Ų | 107.5 | 40% | 0.402 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -48.4 | 166.5 | -71.4 | -168.5 | 155.6 | 0 | 0 | 111.3 | E460 R466 L467 L468 | E460-E464 PolarHBondContact O-N 2.81Å; E464-R466 VanDerWaalsContact C-N 3.33Å; E464-R466 PolarHBondContact O-N 2.79Å; E464-L467 WeakPolarHBondContact O-CB 3.39Å; E464-L467 PolarHBondContact O-N 3.23Å; E464-L468 WeakPolarHBondContact O-CG 3.08Å; E464-L468 PolarHBondContact O-N 3.01Å |
| 465 | Y | 96.9 | Very high | 96.6 | Very high | 152 Ų | 152 | 106.4 Ų | 106.4 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.6 | -41.7 | 176.3 | 176.8 | -102 | 0 | 0 | 0 | 112.3 | C461 L467 L468 E469 | C461-Y465 WeakPolarHBondContact O-CB 3.29Å; C461-Y465 PolarHBondContact O-N 2.99Å; Y465-L467 VanDerWaalsContact C-N 3.26Å; Y465-L467 PolarHBondContact O-N 2.89Å; Y465-L468 PolarHBondContact O-N 2.93Å; Y465-E469 WeakPolarHBondContact O-CB 3.43Å; Y465-E469 PolarHBondContact O-N 3.36Å |
| 466 | R | 97.4 | Very high | 96.4 | Very high | 134 Ų | 134 | 106.3 Ų | 106.3 | 51% | 0.506 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -26.9 | 174.2 | -73.8 | 159.9 | 179.2 | 157.5 | 4.1 | 112.9 | L462 D463 E464 K470 | L462-R466 WeakPolarHBondContact O-CB 3.42Å; L462-R466 VanDerWaalsContact O-CD 3.29Å; L462-R466 WeakPolarHBondContact O-CD 3.42Å; L462-R466 WeakPolarHBondContact O-CG 3.15Å; L462-R466 PolarHBondContact O-N 2.66Å; D463-R466 PolarHBondContact O-N 2.73Å; D463-R466 WeakPolarHBondContact OD1-CD 3.32Å; D463-R466 IonicContact OD1-CZ 3.88Å; D463-R466 IonicContact OD1-NE 2.78Å; D463-R466 IonicContact OD1-NH1 3.21Å; D463-R466 PolarHBondContact OD1-NH1 3.29Å; E464-R466 VanDerWaalsContact C-N 3.33Å; E464-R466 PolarHBondContact O-N 2.79Å; R466-K470 VanDerWaalsContact O-CD 3.22Å; R466-K470 WeakPolarHBondContact O-CD 3.46Å; R466-K470 WeakPolarHBondContact O-CE 3.39Å; R466-K470 WeakPolarHBondContact O-CG 3.48Å |
| 467 | L | 97 | Very high | 96.3 | Very high | 101 Ų | 101 | 102.4 Ų | 102.4 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -77.1 | -50.1 | 174.3 | -174.2 | 62.1 | 0 | 0 | 0 | 110.6 | D463 E464 Y465 E469 K470 E471 | D463-L467 PolarHBondContact O-N 3.45Å; E464-L467 WeakPolarHBondContact O-CB 3.39Å; E464-L467 PolarHBondContact O-N 3.23Å; Y465-L467 VanDerWaalsContact C-N 3.26Å; Y465-L467 PolarHBondContact O-N 2.89Å; L467-E469 VanDerWaalsContact C-N 3.3Å; L467-E469 PolarHBondContact O-N 3.3Å; L467-K470 WeakPolarHBondContact O-CB 3.35Å; L467-K470 PolarHBondContact O-N 2.84Å; L467-E471 PolarHBondContact O-N 3.19Å |
| 468 | L | 97.2 | Very high | 96.2 | Very high | 111 Ų | 111 | 100.5 Ų | 100.5 | 58% | 0.581 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -56.9 | -41 | 177.2 | -70.4 | 171.3 | 0 | 0 | 0 | 112.3 | E464 Y465 K470 E471 R472 | E464-L468 WeakPolarHBondContact O-CG 3.08Å; E464-L468 PolarHBondContact O-N 3.01Å; Y465-L468 PolarHBondContact O-N 2.93Å; L468-K470 VanDerWaalsContact C-N 3.33Å; L468-K470 PolarHBondContact O-N 2.87Å; L468-E471 PolarHBondContact O-N 3.36Å; L468-R472 WeakPolarHBondContact O-CB 3.34Å; L468-R472 PolarHBondContact O-N 2.85Å |
| 469 | E | 96.5 | Very high | 95.9 | Very high | 42 Ų | 42 | 100.8 Ų | 100.8 | 20% | 0.196 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -68.9 | -28.5 | 177.1 | 178.2 | 54.3 | -161.2 | 0 | 0 | 113 | Y465 L467 R472 K473 | Y465-E469 WeakPolarHBondContact O-CB 3.43Å; Y465-E469 PolarHBondContact O-N 3.36Å; L467-E469 VanDerWaalsContact C-N 3.3Å; L467-E469 PolarHBondContact O-N 3.3Å; E469-R472 IonicContact OE1-CZ 3.84Å; E469-R472 IonicContact OE1-NE 3.78Å; E469-R472 IonicContact OE1-NH2 2.68Å; E469-R472 PolarHBondContact OE1-NH2 3.27Å; E469-R472 IonicContact OE2-CZ 2.77Å; E469-R472 IonicContact OE2-NE 3.65Å; E469-R472 PolarHBondContact OE2-NE 2.89Å; E469-R472 IonicContact OE2-NH2 2.89Å; E469-R472 PolarHBondContact OE2-NH2 3.03Å; E469-K473 HydrophobicContact CG-CD 4.43Å; E469-K473 WeakPolarHBondContact O-CB 3.45Å; E469-K473 WeakPolarHBondContact O-CG 3.47Å; E469-K473 PolarHBondContact O-N 3Å; E469-K473 WeakPolarHBondContact OE1-CD 3.2Å; E469-K473 WeakPolarHBondContact OE1-CE 3.28Å; E469-K473 IonicContact OE1-NZ 2.78Å; E469-K473 PolarHBondContact OE1-NZ 3.48Å |
| 470 | K | 97.2 | Very high | 95.5 | Very high | 137 Ų | 137 | 98 Ų | 98 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.3 | -41.4 | 170.5 | -69.7 | 162 | -169.4 | 165.1 | 0 | 111 | R466 L467 L468 K473 K474 | R466-K470 VanDerWaalsContact O-CD 3.22Å; R466-K470 WeakPolarHBondContact O-CD 3.46Å; R466-K470 WeakPolarHBondContact O-CE 3.39Å; R466-K470 WeakPolarHBondContact O-CG 3.48Å; L467-K470 WeakPolarHBondContact O-CB 3.35Å; L467-K470 PolarHBondContact O-N 2.84Å; L468-K470 VanDerWaalsContact C-N 3.33Å; L468-K470 PolarHBondContact O-N 2.87Å; K470-K473 PolarHBondContact O-N 3.35Å; K470-K474 WeakPolarHBondContact O-CB 3.38Å; K470-K474 PolarHBondContact O-N 3.44Å |
| 471 | E | 96.8 | Very high | 95.2 | Very high | 104 Ų | 104 | 100.1 Ų | 100.1 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.2 | -37.6 | 177 | -64.7 | -154.4 | 110.7 | 0 | 0 | 112.6 | L467 L468 K474 T475 | L467-E471 PolarHBondContact O-N 3.19Å; L468-E471 PolarHBondContact O-N 3.36Å; E471-K474 PolarHBondContact O-N 3.34Å; E471-T475 WeakPolarHBondContact O-CB 3.4Å; E471-T475 WeakPolarHBondContact O-CG2 3.48Å; E471-T475 PolarHBondContact O-N 2.78Å; E471-T475 PolarHBondContact O-OG1 3.37Å |
| 472 | R | 97.7 | Very high | 94.8 | Very high | 110 Ų | 110 | 102.2 Ų | 102.2 | 42% | 0.415 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 171.2 | -163.6 | -162.3 | 65 | 66.2 | 7.9 | 111.1 | L468 E469 K474 T475 E476 | L468-R472 WeakPolarHBondContact O-CB 3.34Å; L468-R472 PolarHBondContact O-N 2.85Å; E469-R472 IonicContact OE1-CZ 3.84Å; E469-R472 IonicContact OE1-NE 3.78Å; E469-R472 IonicContact OE1-NH2 2.68Å; E469-R472 PolarHBondContact OE1-NH2 3.27Å; E469-R472 IonicContact OE2-CZ 2.77Å; E469-R472 IonicContact OE2-NE 3.65Å; E469-R472 PolarHBondContact OE2-NE 2.89Å; E469-R472 IonicContact OE2-NH2 2.89Å; E469-R472 PolarHBondContact OE2-NH2 3.03Å; R472-K474 VanDerWaalsContact C-N 3.35Å; R472-K474 PolarHBondContact O-N 2.68Å; R472-T475 WeakPolarHBondContact CA-OG1 3.29Å; R472-T475 PolarHBondContact O-N 3.45Å; R472-T475 PolarHBondContact O-OG1 2.84Å; R472-E476 IonicContact CZ-OE2 2.7Å; R472-E476 IonicContact NH1-OE2 3.62Å; R472-E476 PolarHBondContact NH1-OE2 3.37Å; R472-E476 IonicContact NH2-OE2 3.54Å; R472-E476 VanDerWaalsContact O-CB 3.27Å; R472-E476 WeakPolarHBondContact O-CB 3.43Å; R472-E476 PolarHBondContact O-N 3.38Å |
| 473 | K | 96.4 | Very high | 94 | Very high | 117 Ų | 117 | 99.6 Ų | 99.6 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 175.6 | -79 | 171.6 | 162.3 | 123.5 | 0 | 112.8 | E469 K470 A477 | E469-K473 HydrophobicContact CG-CD 4.43Å; E469-K473 WeakPolarHBondContact O-CB 3.45Å; E469-K473 WeakPolarHBondContact O-CG 3.47Å; E469-K473 PolarHBondContact O-N 3Å; E469-K473 WeakPolarHBondContact OE1-CD 3.2Å; E469-K473 WeakPolarHBondContact OE1-CE 3.28Å; E469-K473 IonicContact OE1-NZ 2.78Å; E469-K473 PolarHBondContact OE1-NZ 3.48Å; K470-K473 PolarHBondContact O-N 3.35Å; K473-A477 WeakPolarHBondContact O-CB 3.25Å; K473-A477 PolarHBondContact O-N 3.47Å |
| 474 | K | 96.7 | Very high | 93.1 | Very high | 127 Ų | 127 | 101.9 Ų | 101.9 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.4 | -49.6 | 175.2 | 179.5 | -173.8 | 171.3 | -167.2 | 0 | 111.6 | K470 E471 R472 E476 A477 D478 | K470-K474 WeakPolarHBondContact O-CB 3.38Å; K470-K474 PolarHBondContact O-N 3.44Å; E471-K474 PolarHBondContact O-N 3.34Å; R472-K474 VanDerWaalsContact C-N 3.35Å; R472-K474 PolarHBondContact O-N 2.68Å; K474-E476 VanDerWaalsContact C-N 3.34Å; K474-E476 PolarHBondContact O-N 2.83Å; K474-A477 PolarHBondContact O-N 3.48Å; K474-D478 WeakPolarHBondContact O-CB 3.48Å; K474-D478 PolarHBondContact O-N 3.27Å |
| 475 | T | 94.8 | Very high | 91.9 | Very high | 86 Ų | 86 | 102 Ų | 102 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 179.5 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | E471 R472 D478 L479 | E471-T475 WeakPolarHBondContact O-CB 3.4Å; E471-T475 WeakPolarHBondContact O-CG2 3.48Å; E471-T475 PolarHBondContact O-N 2.78Å; E471-T475 PolarHBondContact O-OG1 3.37Å; R472-T475 WeakPolarHBondContact CA-OG1 3.29Å; R472-T475 PolarHBondContact O-N 3.45Å; R472-T475 PolarHBondContact O-OG1 2.84Å; T475-D478 PolarHBondContact O-N 3.42Å; T475-L479 VanDerWaalsContact O-CB 3.22Å; T475-L479 WeakPolarHBondContact O-CB 3.25Å; T475-L479 PolarHBondContact O-N 3.34Å |
| 476 | E | 91 | Very high | 90.6 | Very high | 108 Ų | 108 | 98.7 Ų | 98.7 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 171.3 | -177.7 | 170.1 | -155 | 0 | 0 | 111.9 | R472 K474 L479 A480 | R472-E476 IonicContact CZ-OE2 2.7Å; R472-E476 IonicContact NH1-OE2 3.62Å; R472-E476 PolarHBondContact NH1-OE2 3.37Å; R472-E476 IonicContact NH2-OE2 3.54Å; R472-E476 VanDerWaalsContact O-CB 3.27Å; R472-E476 WeakPolarHBondContact O-CB 3.43Å; R472-E476 PolarHBondContact O-N 3.38Å; K474-E476 VanDerWaalsContact C-N 3.34Å; K474-E476 PolarHBondContact O-N 2.83Å; E476-L479 PolarHBondContact O-N 2.84Å; E476-A480 WeakPolarHBondContact O-CB 3.4Å; E476-A480 PolarHBondContact O-N 2.7Å |
| 477 | A | 92.1 | Very high | 89 | Confident | 48 Ų | 48 | 102 Ų | 102 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K473 K474 A480 R481 | K473-A477 WeakPolarHBondContact O-CB 3.25Å; K473-A477 PolarHBondContact O-N 3.47Å; K474-A477 PolarHBondContact O-N 3.48Å; A477-A480 PolarHBondContact O-N 3.18Å; A477-R481 VanDerWaalsContact O-CG 3.31Å; A477-R481 WeakPolarHBondContact O-CG 3.5Å; A477-R481 PolarHBondContact O-N 2.88Å |
| 478 | D | 93.5 | Very high | 87.3 | Confident | 45 Ų | 45 | 104.4 Ų | 104.4 | 24% | 0.241 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 175.4 | -70.4 | -14.8 | 0 | 0 | 0 | 111.3 | K474 T475 R481 N482 | K474-D478 WeakPolarHBondContact O-CB 3.48Å; K474-D478 PolarHBondContact O-N 3.27Å; T475-D478 PolarHBondContact O-N 3.42Å; D478-R481 PolarHBondContact O-N 2.93Å; D478-R481 IonicContact OD1-CZ 3.63Å; D478-R481 IonicContact OD1-NE 2.73Å; D478-R481 IonicContact OD1-NH2 3.61Å; D478-R481 PolarHBondContact OD1-NH2 3.18Å; D478-N482 WeakPolarHBondContact O-CB 3.37Å; D478-N482 VanDerWaalsContact O-CG 3.24Å; D478-N482 PolarHBondContact O-N 2.9Å; D478-N482 PolarHBondContact O-ND2 3.41Å |
| 479 | L | 90.9 | Very high | 85.6 | Confident | 113 Ų | 113 | 104.2 Ų | 104.2 | 59% | 0.592 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | 174.3 | -170.5 | 72.5 | 0 | 0 | 0 | 111.4 | T475 E476 N482 N483 | T475-L479 VanDerWaalsContact O-CB 3.22Å; T475-L479 WeakPolarHBondContact O-CB 3.25Å; T475-L479 PolarHBondContact O-N 3.34Å; E476-L479 PolarHBondContact O-N 2.84Å; L479-N482 PolarHBondContact O-N 3.39Å; L479-N483 WeakPolarHBondContact CD1-ND2 3.27Å; L479-N483 WeakPolarHBondContact O-CB 3.37Å; L479-N483 PolarHBondContact O-N 2.97Å; L479-N483 VanDerWaalsContact O-N 3.13Å; L479-N483 PolarHBondContact O-ND2 2.87Å |
| 480 | A | 89.1 | Confident | 83.9 | Confident | 57 Ų | 57 | 108.1 Ų | 108.1 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.9 | -47.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E476 A477 N482 N483 L484 | E476-A480 WeakPolarHBondContact O-CB 3.4Å; E476-A480 PolarHBondContact O-N 2.7Å; A477-A480 PolarHBondContact O-N 3.18Å; A480-N482 VanDerWaalsContact C-N 3.35Å; A480-N482 PolarHBondContact O-N 2.87Å; A480-N483 PolarHBondContact O-N 3.3Å; A480-L484 WeakPolarHBondContact O-CD2 3.24Å; A480-L484 WeakPolarHBondContact O-CG 3.24Å; A480-L484 PolarHBondContact O-N 2.91Å; A480-L484 VanDerWaalsContact O-N 3.16Å |
| 481 | R | 90.5 | Very high | 82.1 | Confident | 169 Ų | 169 | 104.2 Ų | 104.2 | 64% | 0.638 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61 | -39.8 | 176.7 | -71 | -169.8 | -59.1 | 151.1 | -2.4 | 112.8 | A477 D478 N483 | A477-R481 VanDerWaalsContact O-CG 3.31Å; A477-R481 WeakPolarHBondContact O-CG 3.5Å; A477-R481 PolarHBondContact O-N 2.88Å; D478-R481 PolarHBondContact O-N 2.93Å; D478-R481 IonicContact OD1-CZ 3.63Å; D478-R481 IonicContact OD1-NE 2.73Å; D478-R481 IonicContact OD1-NH2 3.61Å; D478-R481 PolarHBondContact OD1-NH2 3.18Å; R481-N483 VanDerWaalsContact C-N 3.31Å; R481-N483 PolarHBondContact O-N 3.39Å |
| 482 | N | 86.9 | Confident | 80.2 | Confident | 116 Ų | 116 | 101.8 Ų | 101.8 | 62% | 0.62 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -79.9 | -8.1 | -179.1 | -70 | -35.3 | 0 | 0 | 0 | 114.5 | D478 L479 A480 K486 | D478-N482 WeakPolarHBondContact O-CB 3.37Å; D478-N482 VanDerWaalsContact O-CG 3.24Å; D478-N482 PolarHBondContact O-N 2.9Å; D478-N482 PolarHBondContact O-ND2 3.41Å; L479-N482 PolarHBondContact O-N 3.39Å; A480-N482 VanDerWaalsContact C-N 3.35Å; A480-N482 PolarHBondContact O-N 2.87Å; N482-K486 PolarHBondContact O-NZ 3.46Å |
| 483 | N | 81.5 | Confident | 78.6 | Confident | 35 Ų | 35 | 102.6 Ų | 102.6 | 19% | 0.187 | 56% | 0.557 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -128.8 | 20.4 | -177.8 | -61.9 | -69.9 | 0 | 0 | 0 | 113.8 | L479 A480 R481 G485 K486 | L479-N483 WeakPolarHBondContact CD1-ND2 3.27Å; L479-N483 WeakPolarHBondContact O-CB 3.37Å; L479-N483 PolarHBondContact O-N 2.97Å; L479-N483 VanDerWaalsContact O-N 3.13Å; L479-N483 PolarHBondContact O-ND2 2.87Å; A480-N483 PolarHBondContact O-N 3.3Å; R481-N483 VanDerWaalsContact C-N 3.31Å; R481-N483 PolarHBondContact O-N 3.39Å; N483-G485 PolarHBondContact O-N 3.32Å; N483-K486 HydrophobicContact CB-CB 4.34Å; N483-K486 HydrophobicContact CB-CD 4.11Å; N483-K486 WeakPolarHBondContact O-CB 3.27Å; N483-K486 PolarHBondContact O-N 3.06Å; N483-K486 VanDerWaalsContact OD1-CD 3.3Å; N483-K486 WeakPolarHBondContact OD1-CD 3.22Å; N483-K486 PolarHBondContact OD1-NZ 3.32Å |
| 484 | L | 77.6 | Confident | 77.2 | Confident | 142 Ų | 142 | 100.7 Ų | 100.7 | 74% | 0.743 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.4 | 128.6 | 171.3 | -64.7 | 175.3 | 0 | 0 | 0 | 111.1 | A480 K486 | A480-L484 WeakPolarHBondContact O-CD2 3.24Å; A480-L484 WeakPolarHBondContact O-CG 3.24Å; A480-L484 PolarHBondContact O-N 2.91Å; A480-L484 VanDerWaalsContact O-N 3.16Å; L484-K486 PolarHBondContact O-N 2.66Å |
| 485 | G | 71.3 | Confident | 75.9 | Confident | 87 Ų | 87 | 100.2 Ų | 100.2 | 90% | 0.897 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.7 | -15.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | N483 K487 | N483-G485 PolarHBondContact O-N 3.32Å; G485-K487 PolarHBondContact O-N 3.01Å |
| 486 | K | 70.1 | Confident | 75.1 | Confident | 84 Ų | 84 | 99.9 Ų | 99.9 | 37% | 0.365 | 56% | 0.556 | S | S | . | * | | | trans | -78.5 | 112.3 | 173.8 | -61.4 | 178.6 | -167.9 | 164 | 0 | 109.4 | T189 N482 N483 L484 I488 | T189-K486 PolarHBondContact OG1-NZ 2.97Å; N482-K486 PolarHBondContact O-NZ 3.46Å; N483-K486 HydrophobicContact CB-CB 4.34Å; N483-K486 HydrophobicContact CB-CD 4.11Å; N483-K486 WeakPolarHBondContact O-CB 3.27Å; N483-K486 PolarHBondContact O-N 3.06Å; N483-K486 VanDerWaalsContact OD1-CD 3.3Å; N483-K486 WeakPolarHBondContact OD1-CD 3.22Å; N483-K486 PolarHBondContact OD1-NZ 3.32Å; L484-K486 PolarHBondContact O-N 2.66Å; K486-I488 PolarHBondContact O-N 3.45Å |
| 487 | K | 64.8 | Low | 74.3 | Confident | 203 Ų | 203 | 97.5 Ų | 97.5 | 88% | 0.883 | 55% | 0.549 | S | S | * | . | | | trans | -65.5 | 99 | 169.8 | -70.4 | -172 | 177.2 | -174.7 | 0 | 109.4 | G485 N489 | G485-K487 PolarHBondContact O-N 3.01Å; K487-N489 PolarHBondContact O-N 3Å |
| 488 | I | 60.5 | Low | 73.6 | Confident | 152 Ų | 152 | 106.8 Ų | 106.8 | 78% | 0.779 | 57% | 0.574 | S | S | * | * | | | trans | -68.9 | 73.3 | 168.3 | 48.2 | 159.3 | 0 | 0 | 0 | 109.9 | K486 S490 | K486-I488 PolarHBondContact O-N 3.45Å; I488-S490 PolarHBondContact O-N 2.72Å |
| 489 | N | 61.7 | Low | 73.2 | Confident | 107 Ų | 107 | 108.2 Ų | 108.2 | 57% | 0.572 | 58% | 0.581 | S | S | * | * | | | trans | -66.3 | 114.7 | 175.8 | -176.5 | -0.3 | 0 | 0 | 0 | 108.9 | K487 S491 | K487-N489 PolarHBondContact O-N 3Å; N489-S491 PolarHBondContact ND2-OG 2.89Å; N489-S491 PolarHBondContact O-N 3.48Å; N489-S491 PolarHBondContact OD1-N 2.98Å; N489-S491 VanDerWaalsContact OD1-N 3.09Å; N489-S491 PolarHBondContact OD1-OG 3.41Å |
| 490 | S | 61.2 | Low | 72.6 | Confident | 124 Ų | 124 | 106.1 Ų | 106.1 | 87% | 0.867 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -66.1 | -16.1 | -180 | 53 | 0 | 0 | 0 | 0 | 113.4 | I488 N492 | I488-S490 PolarHBondContact O-N 2.72Å; S490-N492 PolarHBondContact O-N 3.13Å; S490-N492 VanDerWaalsContact O-N 3.13Å |
| 491 | S | 58.4 | Low | 72.3 | Confident | 55 Ų | 55 | 112.3 Ų | 112.3 | 39% | 0.385 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -74.1 | 102.6 | 168.5 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | N489 N493 | N489-S491 PolarHBondContact ND2-OG 2.89Å; N489-S491 PolarHBondContact O-N 3.48Å; N489-S491 PolarHBondContact OD1-N 2.98Å; N489-S491 VanDerWaalsContact OD1-N 3.09Å; N489-S491 PolarHBondContact OD1-OG 3.41Å; S491-N493 WeakPolarHBondContact CB-ND2 3.11Å; S491-N493 PolarHBondContact O-N 3.39Å; S491-N493 PolarHBondContact O-ND2 3.43Å; S491-N493 PolarHBondContact OG-ND2 2.82Å |
| 492 | N | 57.5 | Low | 72.1 | Confident | 52 Ų | 52 | 108.4 Ų | 108.4 | 28% | 0.278 | 60% | 0.603 | S | S | . | * | | | trans | -69.6 | 67.8 | -178.6 | -175.7 | 15.2 | 0 | 0 | 0 | 112.4 | S490 L494 H517 A518 | S490-N492 PolarHBondContact O-N 3.13Å; S490-N492 VanDerWaalsContact O-N 3.13Å; N492-L494 PolarHBondContact O-N 2.88Å; N492-L494 VanDerWaalsContact OD1-CD1 3.32Å; N492-L494 WeakPolarHBondContact OD1-CD1 3.44Å; N492-L494 VanDerWaalsContact OD1-CG 3.22Å; N492-L494 WeakPolarHBondContact OD1-CG 3.31Å; N492-H517 WeakPolarHBondContact CB-O 3.13Å; N492-H517 VanDerWaalsContact ND2-CB 3.34Å; N492-H517 WeakPolarHBondContact ND2-CB 3.42Å; N492-H517 PolarHBondContact ND2-O 3.43Å; N492-A518 WeakPolarHBondContact O-CB 3.49Å |
| 493 | N | 63.1 | Low | 72.1 | Confident | 127 Ų | 127 | 104.4 Ų | 104.4 | 68% | 0.679 | 58% | 0.583 | S | S | * | * | | | trans | -79.8 | 35 | 176.9 | -65.9 | -84.1 | 0 | 0 | 0 | 112.1 | S491 | S491-N493 WeakPolarHBondContact CB-ND2 3.11Å; S491-N493 PolarHBondContact O-N 3.39Å; S491-N493 PolarHBondContact O-ND2 3.43Å; S491-N493 PolarHBondContact OG-ND2 2.82Å |
| 494 | L | 69 | Low | 72.5 | Confident | 78 Ų | 78 | 106.3 Ų | 106.3 | 41% | 0.408 | 60% | 0.596 | S | S | . | * | | | trans | -65.6 | 125.7 | 173.7 | -72.6 | 177.6 | 0 | 0 | 0 | 108.9 | N492 I496 F514 | N492-L494 PolarHBondContact O-N 2.88Å; N492-L494 VanDerWaalsContact OD1-CD1 3.32Å; N492-L494 WeakPolarHBondContact OD1-CD1 3.44Å; N492-L494 VanDerWaalsContact OD1-CG 3.22Å; N492-L494 WeakPolarHBondContact OD1-CG 3.31Å; L494-I496 PolarHBondContact O-N 3.35Å; L494-F514 HydrophobicContact CD1-CD1 4.17Å; L494-F514 HydrophobicContact CD1-CE1 3.67Å |
| 495 | P | 69.2 | Low | 73.2 | Confident | 116 Ų | 116 | 107.5 Ų | 107.5 | 75% | 0.753 | 60% | 0.595 | S | S | * | * | | | trans | -66.7 | 109 | 179.1 | 27 | -33.1 | 0 | 0 | 0 | 108.8 | P497 | P495-P497 WeakPolarHBondContact O-CD 3.34Š|
| 496 | I | 76.9 | Confident | 74.2 | Confident | 79 Ų | 79 | 108.7 Ų | 108.7 | 41% | 0.405 | 58% | 0.58 | S | S | . | * | | | trans | -49.3 | 115.4 | -175.4 | -63.8 | 153 | 0 | 0 | 0 | 109.3 | L494 R498 V511 F514 R515 A518 | L494-I496 PolarHBondContact O-N 3.35Å; I496-R498 PolarHBondContact O-N 2.94Å; I496-V511 HydrophobicContact CG2-CG1 3.94Å; I496-F514 HydrophobicContact CG1-CB 4.47Å; I496-R515 HydrophobicContact CD1-CG 3.89Å; I496-R515 HydrophobicContact CG1-CG 4.3Å; I496-R515 HydrophobicContact CG2-CG 3.97Å; I496-A518 HydrophobicContact CG1-CB 4.5Å |
| 497 | P | 73.8 | Confident | 75.2 | Confident | 58 Ų | 58 | 107 Ų | 107 | 38% | 0.377 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 135 | -173.5 | 23.5 | -31.3 | 0 | 0 | 0 | 110 | P495 L499 V511 F514 | P495-P497 WeakPolarHBondContact O-CD 3.34Å; P497-L499 PolarHBondContact O-N 3.31Å; P497-V511 HydrophobicContact CG-CG2 4.19Å; P497-V511 VanDerWaalsContact O-CG2 3.31Å; P497-V511 WeakPolarHBondContact O-CG2 3.36Å; P497-F514 HydrophobicContact CG-CD2 3.84Å; P497-F514 HydrophobicContact CG-CE2 4.03Å |
| 498 | R | 78.8 | Confident | 76.4 | Confident | 243 Ų | 243 | 103.6 Ų | 103.6 | 92% | 0.917 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -69 | 128.5 | 176.7 | -67.3 | -176.1 | -179.7 | -179.2 | 0.4 | 109.1 | I496 | I496-R498 PolarHBondContact O-N 2.94Š|
| 499 | L | 84.8 | Confident | 77.9 | Confident | 75 Ų | 75 | 102 Ų | 102 | 39% | 0.393 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -55 | 139.8 | 175.4 | -72.4 | 174.6 | 0 | 0 | 0 | 111.1 | P497 P503 D507 V511 | P497-L499 PolarHBondContact O-N 3.31Å; L499-P503 HydrophobicContact CB-CB 4.03Å; L499-P503 HydrophobicContact CB-CG 4.33Å; L499-P503 HydrophobicContact CD1-CB 4.22Å; L499-P503 HydrophobicContact CD1-CG 4.24Å; L499-P503 HydrophobicContact CD2-CB 3.89Å; L499-P503 HydrophobicContact CG-CB 4.27Å; L499-D507 HydrophobicContact CD2-CB 3.75Å; L499-D507 WeakPolarHBondContact CD2-O 3.33Å; L499-V511 HydrophobicContact CD2-CB 3.98Å; L499-V511 HydrophobicContact CD2-CG2 3.54Å; L499-V511 HydrophobicContact CG-CB 4.4Å; L499-V511 HydrophobicContact CG-CG1 4.44Å; L499-V511 HydrophobicContact CG-CG2 4.02Å |
| 500 | P | 79.1 | Confident | 79.2 | Confident | 70 Ų | 70 | 100.2 Ų | 100.2 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 162.6 | 171.6 | 29.8 | -35.3 | 0 | 0 | 0 | 110.7 | A502 P503 | P500-A502 PolarHBondContact O-N 3.41Å; P500-P503 HydrophobicContact CG-CB 4.45Å; P500-P503 VanDerWaalsContact O-CD 3.28Å; P500-P503 WeakPolarHBondContact O-CD 3.02Å |
| 501 | L | 82.5 | Confident | 80.4 | Confident | 186 Ų | 186 | 95.1 Ų | 95.1 | 97% | 0.974 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -59.3 | -22.2 | -171.7 | -164.1 | 67.5 | 0 | 0 | 0 | 114.3 | | |
| 502 | A | 85.8 | Confident | 81.7 | Confident | 88 Ų | 88 | 96.1 Ų | 96.1 | 73% | 0.727 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -129.4 | 84.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P500 | P500-A502 PolarHBondContact O-N 3.41Š|
| 503 | P | 85.8 | Confident | 83.1 | Confident | 32 Ų | 32 | 98.6 Ų | 98.6 | 21% | 0.208 | 51% | 0.511 | C | S | . | . | | | trans | -82 | 124.8 | -171.3 | 28.9 | -29 | 0 | 0 | 0 | 112.2 | L499 P500 D507 R508 | L499-P503 HydrophobicContact CB-CB 4.03Å; L499-P503 HydrophobicContact CB-CG 4.33Å; L499-P503 HydrophobicContact CD1-CB 4.22Å; L499-P503 HydrophobicContact CD1-CG 4.24Å; L499-P503 HydrophobicContact CD2-CB 3.89Å; L499-P503 HydrophobicContact CG-CB 4.27Å; P500-P503 HydrophobicContact CG-CB 4.45Å; P500-P503 VanDerWaalsContact O-CD 3.28Å; P500-P503 WeakPolarHBondContact O-CD 3.02Å; P503-D507 HydrophobicContact CB-CB 4.13Å; P503-R508 HydrophobicContact CB-CG 4.39Å; P503-R508 PolarHBondContact O-NE 3Å; P503-R508 VanDerWaalsContact O-NE 3.08Å; P503-R508 PolarHBondContact O-NH2 3.04Å |
| 504 | T | 90.9 | Very high | 84.1 | Confident | 75 Ų | 75 | 94.5 Ų | 94.5 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | | | trans | -65.4 | 173 | 174.8 | 72 | 0 | 0 | 0 | 0 | 111.5 | I506 D507 R508 | T504-I506 PolarHBondContact O-N 3.13Å; T504-I506 PolarHBondContact OG1-N 3.14Å; T504-D507 WeakPolarHBondContact CA-OD2 3.19Å; T504-D507 VanDerWaalsContact CB-OD2 3.24Å; T504-D507 WeakPolarHBondContact CB-OD2 3.38Å; T504-D507 WeakPolarHBondContact CG2-OD2 3.33Å; T504-D507 PolarHBondContact N-OD2 2.79Å; T504-D507 PolarHBondContact O-N 3.22Å; T504-D507 PolarHBondContact OG1-N 2.75Å; T504-D507 PolarHBondContact OG1-OD2 2.73Å; T504-R508 WeakPolarHBondContact O-CG 3.32Å; T504-R508 PolarHBondContact O-N 3.09Å |
| 505 | K | 92.9 | Very high | 84.8 | Confident | 166 Ų | 166 | 97.7 Ų | 97.7 | 72% | 0.722 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.9 | -36.4 | 171.7 | -174.6 | 178.5 | 176.3 | -176.6 | 0 | 111.8 | M509 | K505-M509 HydrophobicContact CG-SD 4.1Å; K505-M509 WeakPolarHBondContact O-CG 3.41Å; K505-M509 PolarHBondContact O-N 3Å; K505-M509 VanDerWaalsContact O-N 3.11Å |
| 506 | I | 91.7 | Very high | 85.3 | Confident | 113 Ų | 113 | 97.4 Ų | 97.4 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -70.5 | -44.7 | -178 | -62.5 | 170.4 | 0 | 0 | 0 | 110.4 | T504 R508 M509 L510 | T504-I506 PolarHBondContact O-N 3.13Å; T504-I506 PolarHBondContact OG1-N 3.14Å; I506-R508 VanDerWaalsContact C-N 3.26Å; I506-R508 PolarHBondContact O-N 2.92Å; I506-M509 PolarHBondContact O-N 3.46Å; I506-L510 WeakPolarHBondContact O-CB 3.36Å; I506-L510 PolarHBondContact O-N 3.48Å |
| 507 | D | 90.6 | Very high | 85.2 | Confident | 47 Ų | 47 | 98.5 Ų | 98.5 | 25% | 0.251 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.1 | -40.8 | 178.4 | -55.3 | -53.9 | 0 | 0 | 0 | 111.7 | L499 P503 T504 V511 | L499-D507 HydrophobicContact CD2-CB 3.75Å; L499-D507 WeakPolarHBondContact CD2-O 3.33Å; P503-D507 HydrophobicContact CB-CB 4.13Å; T504-D507 WeakPolarHBondContact CA-OD2 3.19Å; T504-D507 VanDerWaalsContact CB-OD2 3.24Å; T504-D507 WeakPolarHBondContact CB-OD2 3.38Å; T504-D507 WeakPolarHBondContact CG2-OD2 3.33Å; T504-D507 PolarHBondContact N-OD2 2.79Å; T504-D507 PolarHBondContact O-N 3.22Å; T504-D507 PolarHBondContact OG1-N 2.75Å; T504-D507 PolarHBondContact OG1-OD2 2.73Å; D507-V511 WeakPolarHBondContact O-CB 3.38Å; D507-V511 WeakPolarHBondContact O-CG2 3.38Å; D507-V511 PolarHBondContact O-N 3.2Å |
| 508 | R | 91.1 | Very high | 85 | Confident | 133 Ų | 133 | 97 Ų | 97 | 50% | 0.502 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -52 | 176.7 | -64.7 | 167.4 | -165.3 | -117.7 | 3.8 | 111.2 | P503 T504 I506 L510 V511 D512 | P503-R508 HydrophobicContact CB-CG 4.39Å; P503-R508 PolarHBondContact O-NE 3Å; P503-R508 VanDerWaalsContact O-NE 3.08Å; P503-R508 PolarHBondContact O-NH2 3.04Å; T504-R508 WeakPolarHBondContact O-CG 3.32Å; T504-R508 PolarHBondContact O-N 3.09Å; I506-R508 VanDerWaalsContact C-N 3.26Å; I506-R508 PolarHBondContact O-N 2.92Å; R508-L510 VanDerWaalsContact C-N 3.27Å; R508-L510 PolarHBondContact O-N 2.91Å; R508-V511 PolarHBondContact O-N 3.35Å; R508-D512 WeakPolarHBondContact O-CB 3.42Å; R508-D512 PolarHBondContact O-N 2.89Å |
| 509 | M | 90.4 | Very high | 84.5 | Confident | 119 Ų | 119 | 93.1 Ų | 93.1 | 59% | 0.586 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -57.3 | -39.8 | 177.6 | -71.9 | 175 | 63.7 | 0 | 0 | 112.3 | K505 I506 F513 | K505-M509 HydrophobicContact CG-SD 4.1Å; K505-M509 WeakPolarHBondContact O-CG 3.41Å; K505-M509 PolarHBondContact O-N 3Å; K505-M509 VanDerWaalsContact O-N 3.11Å; I506-M509 PolarHBondContact O-N 3.46Å; M509-F513 VanDerWaalsContact O-CB 3.29Å; M509-F513 WeakPolarHBondContact O-CB 3.44Å; M509-F513 PolarHBondContact O-N 2.93Å |
| 510 | L | 89.3 | Confident | 83.4 | Confident | 68 Ų | 68 | 94.4 Ų | 94.4 | 36% | 0.356 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.2 | -42.2 | 177.8 | -177.2 | 61.7 | 0 | 0 | 0 | 112.2 | I506 R508 F514 | I506-L510 WeakPolarHBondContact O-CB 3.36Å; I506-L510 PolarHBondContact O-N 3.48Å; R508-L510 VanDerWaalsContact C-N 3.27Å; R508-L510 PolarHBondContact O-N 2.91Å; L510-F514 HydrophobicContact CD1-CD2 4.14Å; L510-F514 HydrophobicContact CD1-CE2 3.56Å; L510-F514 HydrophobicContact CD1-CZ 4.08Å; L510-F514 HydrophobicContact CD2-CE2 4.27Å; L510-F514 HydrophobicContact CG-CD2 4.03Å; L510-F514 HydrophobicContact CG-CE2 3.65Å; L510-F514 WeakPolarHBondContact O-CD2 3.48Å; L510-F514 PolarHBondContact O-N 3.39Å |
| 511 | V | 86.8 | Confident | 82.8 | Confident | 17 Ų | 17 | 97 Ų | 97 | 10% | 0.103 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -68.9 | -37.7 | 175.9 | 165 | 0 | 0 | 0 | 0 | 112.1 | I496 P497 L499 D507 R508 F514 R515 | I496-V511 HydrophobicContact CG2-CG1 3.94Å; P497-V511 HydrophobicContact CG-CG2 4.19Å; P497-V511 VanDerWaalsContact O-CG2 3.31Å; P497-V511 WeakPolarHBondContact O-CG2 3.36Å; L499-V511 HydrophobicContact CD2-CB 3.98Å; L499-V511 HydrophobicContact CD2-CG2 3.54Å; L499-V511 HydrophobicContact CG-CB 4.4Å; L499-V511 HydrophobicContact CG-CG1 4.44Å; L499-V511 HydrophobicContact CG-CG2 4.02Å; D507-V511 WeakPolarHBondContact O-CB 3.38Å; D507-V511 WeakPolarHBondContact O-CG2 3.38Å; D507-V511 PolarHBondContact O-N 3.2Å; R508-V511 PolarHBondContact O-N 3.35Å; V511-F514 PolarHBondContact O-N 3.16Å; V511-R515 HydrophobicContact CG1-CG 4.44Å; V511-R515 WeakPolarHBondContact O-CB 3.32Å; V511-R515 VanDerWaalsContact O-CG 3.25Å; V511-R515 WeakPolarHBondContact O-CG 3.22Å; V511-R515 PolarHBondContact O-N 3.26Å |
| 512 | D | 86.7 | Confident | 82 | Confident | 77 Ų | 77 | 90.9 Ų | 90.9 | 41% | 0.412 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.1 | -37.7 | 176.3 | -71.7 | -39.3 | 0 | 0 | 0 | 111.7 | R508 R515 E516 | R508-D512 WeakPolarHBondContact O-CB 3.42Å; R508-D512 PolarHBondContact O-N 2.89Å; D512-R515 PolarHBondContact O-N 3.01Å; D512-R515 IonicContact OD1-CZ 2.66Å; D512-R515 IonicContact OD1-NH1 3.6Å; D512-R515 PolarHBondContact OD1-NH1 2.97Å; D512-E516 WeakPolarHBondContact O-CB 3.45Å; D512-E516 PolarHBondContact O-N 3.42Å |
| 513 | F | 86.5 | Confident | 81.2 | Confident | 104 Ų | 104 | 92.3 Ų | 92.3 | 46% | 0.456 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 168.2 | 176.9 | -91.6 | 0 | 0 | 0 | 111.9 | M509 R515 E516 H517 | M509-F513 VanDerWaalsContact O-CB 3.29Å; M509-F513 WeakPolarHBondContact O-CB 3.44Å; M509-F513 PolarHBondContact O-N 2.93Å; F513-R515 VanDerWaalsContact C-N 3.34Å; F513-R515 PolarHBondContact O-N 2.98Å; F513-E516 PolarHBondContact O-N 3.29Å; F513-H517 AromaticContact CD2-CD2 3.52Å; F513-H517 AromaticContact CD2-NE2 3.58Å; F513-H517 AromaticContact CE1-CD2 3.85Å; F513-H517 AromaticContact CE2-CD2 3.34Å; F513-H517 WeakPolarHBondContact CE2-CD2 3.24Å; F513-H517 AromaticContact CE2-NE2 3.2Å; F513-H517 WeakPolarHBondContact CE2-NE2 3.31Å; F513-H517 AromaticContact CG-CD2 3.86Å; F513-H517 AromaticContact CZ-CD2 3.51Å; F513-H517 AromaticContact CZ-NE2 3.72Å; F513-H517 PolarHBondContact O-CD2 2.91Å; F513-H517 VanDerWaalsContact O-CD2 3.27Å; F513-H517 PolarHBondContact O-N 2.81Å |
| 514 | F | 84 | Confident | 80 | Confident | 41 Ų | 41 | 96.2 Ų | 96.2 | 18% | 0.18 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 174.5 | -75 | -54.1 | 0 | 0 | 0 | 112.6 | L494 I496 P497 L510 V511 A518 | L494-F514 HydrophobicContact CD1-CD1 4.17Å; L494-F514 HydrophobicContact CD1-CE1 3.67Å; I496-F514 HydrophobicContact CG1-CB 4.47Å; P497-F514 HydrophobicContact CG-CD2 3.84Å; P497-F514 HydrophobicContact CG-CE2 4.03Å; L510-F514 HydrophobicContact CD1-CD2 4.14Å; L510-F514 HydrophobicContact CD1-CE2 3.56Å; L510-F514 HydrophobicContact CD1-CZ 4.08Å; L510-F514 HydrophobicContact CD2-CE2 4.27Å; L510-F514 HydrophobicContact CG-CD2 4.03Å; L510-F514 HydrophobicContact CG-CE2 3.65Å; L510-F514 WeakPolarHBondContact O-CD2 3.48Å; L510-F514 PolarHBondContact O-N 3.39Å; V511-F514 PolarHBondContact O-N 3.16Å; F514-A518 WeakPolarHBondContact O-CB 3.3Å; F514-A518 PolarHBondContact O-N 3.2Å |
| 515 | R | 82.9 | Confident | 78.4 | Confident | 144 Ų | 144 | 102 Ų | 102 | 54% | 0.543 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.3 | -34.1 | 176.6 | -73.9 | 170.8 | 70.6 | -139 | 0.5 | 113.4 | I496 V511 D512 F513 R519 | I496-R515 HydrophobicContact CD1-CG 3.89Å; I496-R515 HydrophobicContact CG1-CG 4.3Å; I496-R515 HydrophobicContact CG2-CG 3.97Å; V511-R515 HydrophobicContact CG1-CG 4.44Å; V511-R515 WeakPolarHBondContact O-CB 3.32Å; V511-R515 VanDerWaalsContact O-CG 3.25Å; V511-R515 WeakPolarHBondContact O-CG 3.22Å; V511-R515 PolarHBondContact O-N 3.26Å; D512-R515 PolarHBondContact O-N 3.01Å; D512-R515 IonicContact OD1-CZ 2.66Å; D512-R515 IonicContact OD1-NH1 3.6Å; D512-R515 PolarHBondContact OD1-NH1 2.97Å; F513-R515 VanDerWaalsContact C-N 3.34Å; F513-R515 PolarHBondContact O-N 2.98Å; R515-R519 PolarHBondContact O-N 3.21Å |
| 516 | E | 80.5 | Confident | 76.4 | Confident | 110 Ų | 110 | 102.8 Ų | 102.8 | 51% | 0.514 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.7 | -52.4 | 175 | 179.9 | 115.7 | -101 | 0 | 0 | 110.8 | D512 F513 R519 | D512-E516 WeakPolarHBondContact O-CB 3.45Å; D512-E516 PolarHBondContact O-N 3.42Å; F513-E516 PolarHBondContact O-N 3.29Å; E516-R519 WeakPolarHBondContact O-CB 3.44Å; E516-R519 PolarHBondContact O-N 3.32Å; E516-R519 IonicContact OE1-CZ 3.68Å; E516-R519 IonicContact OE1-NH1 2.66Å; E516-R519 PolarHBondContact OE1-NH1 2.67Å; E516-R519 IonicContact OE1-NH2 2.7Å |
| 517 | H | 74.6 | Confident | 74.4 | Confident | 102 Ų | 102 | 100.9 Ų | 100.9 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -80.9 | -17.1 | -176.1 | -66.6 | -66.2 | 0 | 0 | 0 | 114.4 | N492 F513 | N492-H517 WeakPolarHBondContact CB-O 3.13Å; N492-H517 VanDerWaalsContact ND2-CB 3.34Å; N492-H517 WeakPolarHBondContact ND2-CB 3.42Å; N492-H517 PolarHBondContact ND2-O 3.43Å; F513-H517 AromaticContact CD2-CD2 3.52Å; F513-H517 AromaticContact CD2-NE2 3.58Å; F513-H517 AromaticContact CE1-CD2 3.85Å; F513-H517 AromaticContact CE2-CD2 3.34Å; F513-H517 WeakPolarHBondContact CE2-CD2 3.24Å; F513-H517 AromaticContact CE2-NE2 3.2Å; F513-H517 WeakPolarHBondContact CE2-NE2 3.31Å; F513-H517 AromaticContact CG-CD2 3.86Å; F513-H517 AromaticContact CZ-CD2 3.51Å; F513-H517 AromaticContact CZ-NE2 3.72Å; F513-H517 PolarHBondContact O-CD2 2.91Å; F513-H517 VanDerWaalsContact O-CD2 3.27Å; F513-H517 PolarHBondContact O-N 2.81Å |
| 518 | A | 69.9 | Low | 72.5 | Confident | 28 Ų | 28 | 104.1 Ų | 104.1 | 23% | 0.231 | 56% | 0.564 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | 2.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N492 I496 F514 P520 | N492-A518 WeakPolarHBondContact O-CB 3.49Å; I496-A518 HydrophobicContact CG1-CB 4.5Å; F514-A518 WeakPolarHBondContact O-CB 3.3Å; F514-A518 PolarHBondContact O-N 3.2Å; A518-P520 VanDerWaalsContact O-CD 3.24Å; A518-P520 WeakPolarHBondContact O-CD 3.35Å |
| 519 | R | 66.9 | Low | 70.7 | Confident | 161 Ų | 161 | 102.4 Ų | 102.4 | 61% | 0.608 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -61.6 | 117 | 166.5 | -175.8 | -172.9 | -72.9 | 120 | -9.6 | 107.3 | R515 E516 | R515-R519 PolarHBondContact O-N 3.21Å; E516-R519 WeakPolarHBondContact O-CB 3.44Å; E516-R519 PolarHBondContact O-N 3.32Å; E516-R519 IonicContact OE1-CZ 3.68Å; E516-R519 IonicContact OE1-NH1 2.66Å; E516-R519 PolarHBondContact OE1-NH1 2.67Å; E516-R519 IonicContact OE1-NH2 2.7Å |
| 520 | P | 63.5 | Low | 69.1 | Low | 101 Ų | 101 | 102.1 Ų | 102.1 | 66% | 0.656 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 147 | 175.4 | -21.5 | 33.6 | 0 | 0 | 0 | 109.5 | A518 G522 | A518-P520 VanDerWaalsContact O-CD 3.24Å; A518-P520 WeakPolarHBondContact O-CD 3.35Å; P520-G522 PolarHBondContact O-N 3.03Å |
| 521 | P | 65.2 | Low | 67.2 | Low | 126 Ų | 126 | 108.9 Ų | 108.9 | 82% | 0.818 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 122.9 | 163.9 | 25.1 | -32.8 | 0 | 0 | 0 | 107 | | |
| 522 | G | 66.9 | Low | 65.6 | Low | 56 Ų | 56 | 116 Ų | 116 | 58% | 0.577 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 150.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P520 | P520-G522 PolarHBondContact O-N 3.03Š|
| 523 | P | 68.2 | Low | 63.6 | Low | 118 Ų | 118 | 127.2 Ų | 127.2 | 77% | 0.766 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 131.2 | 173.2 | 24.8 | -33.7 | 0 | 0 | 0 | 107.8 | H525 | P523-H525 PolarHBondContact O-N 3.35Å; P523-H525 VanDerWaalsContact O-N 3.14Å |
| 524 | P | 60.2 | Low | 62.5 | Low | 114 Ų | 114 | 128.4 Ų | 128.4 | 74% | 0.74 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 129 | -179.5 | 23.3 | -33.2 | 0 | 0 | 0 | 107.3 | Q526 | P524-Q526 VanDerWaalsContact C-N 3.32Å; P524-Q526 PolarHBondContact O-N 3.39Å |
| 525 | H | 57.9 | Low | 61.4 | Low | 198 Ų | 198 | 132.9 Ų | 132.9 | 92% | 0.917 | 72% | 0.717 | S | S | * | * | | | trans | -56.7 | 101.2 | 178 | -94.5 | -78.8 | 0 | 0 | 0 | 107.7 | P523 G527 | P523-H525 PolarHBondContact O-N 3.35Å; P523-H525 VanDerWaalsContact O-N 3.14Å; H525-G527 VanDerWaalsContact C-N 3.31Å; H525-G527 PolarHBondContact O-N 2.9Å |
| 526 | Q | 51.2 | Low | 60.2 | Low | 182 Ų | 182 | 132.3 Ų | 132.3 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | | | trans | -62.1 | 103.3 | 168.4 | -70.4 | -171.9 | 4.7 | 0 | 0 | 105.1 | P524 S528 | P524-Q526 VanDerWaalsContact C-N 3.32Å; P524-Q526 PolarHBondContact O-N 3.39Å; Q526-S528 PolarHBondContact O-N 3.47Å |
| 527 | G | 48.3 | Very low | 59 | Low | 72 Ų | 72 | 133.6 Ų | 133.6 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | | | trans | -56.7 | 109 | 178.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | H525 S529 | H525-G527 VanDerWaalsContact C-N 3.31Å; H525-G527 PolarHBondContact O-N 2.9Å; G527-S529 PolarHBondContact O-N 2.9Å |
| 528 | S | 51.6 | Low | 58 | Low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | | | trans | -71.1 | 77.1 | 179.9 | 57.4 | 0 | 0 | 0 | 0 | 108.4 | Q526 | Q526-S528 PolarHBondContact O-N 3.47Š|
| 529 | S | 52.7 | Low | 57.2 | Low | 97 Ų | 97 | 142.8 Ų | 142.8 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | trans | -52.5 | 125.5 | 171.8 | -171.3 | 0 | 0 | 0 | 0 | 107.4 | G527 F531 | G527-S529 PolarHBondContact O-N 2.9Å; S529-F531 PolarHBondContact O-N 3.21Å |
| 530 | P | 57.1 | Low | 56.5 | Low | 112 Ų | 112 | 141.5 Ų | 141.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -64.1 | 112.7 | -177.6 | 25.9 | -32.8 | 0 | 0 | 0 | 108.3 | L532 | P530-L532 PolarHBondContact O-N 3.38Š|
| 531 | F | 49.2 | Very low | 56 | Low | 210 Ų | 210 | 144.6 Ų | 144.6 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | | | trans | -58.6 | 105.3 | 172.3 | -112.2 | -92.4 | 0 | 0 | 0 | 108.4 | S529 | S529-F531 PolarHBondContact O-N 3.21Š|
| 532 | L | 54.1 | Low | 55.2 | Low | 167 Ų | 167 | 146.2 Ų | 146.2 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -64.7 | 149.6 | 163.7 | -79.4 | 166.7 | 0 | 0 | 0 | 108.9 | P530 | P530-L532 PolarHBondContact O-N 3.38Š|
| 533 | R | 45.2 | Very low | 54.1 | Low | 312 Ų | 312 | 154.4 Ų | 154.4 | 100% | 1.177 | 84% | 0.837 | S | S | * | * | | | trans | -99.7 | 0 | -160.7 | -163.6 | -169.5 | -157.3 | -166.1 | 8.5 | 112.8 | | |