| 1 | M | 29.7 | Very low | 31.5 | Very low | 241 Ų | 241 | 155.4 Ų | 155.4 | 100% | 1.187 | 81% | 0.81 | S | S | * | * | | | | 0 | 177 | 0 | -103.9 | 50.5 | 166.5 | 0 | 0 | 110.2 | | |
| 2 | K | 36.1 | Very low | 31.4 | Very low | 206 Ų | 206 | 153.4 Ų | 153.4 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | | | trans | -56.2 | 152.3 | -175 | -57.1 | 170.5 | 178.9 | 177.7 | 0 | 113.9 | | |
| 3 | G | 33.9 | Very low | 31.4 | Very low | 75 Ų | 75 | 153.5 Ų | 153.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -178.3 | 126.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 4 | Y | 33.8 | Very low | 31.3 | Very low | 215 Ų | 215 | 148.9 Ų | 148.9 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -99.4 | 169.8 | -164.8 | -96.5 | -97.4 | 0 | 0 | 0 | 114.9 | | |
| 5 | H | 32.8 | Very low | 31.4 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | | | trans | 68.7 | 115.9 | 160.1 | -97.3 | -83.1 | 0 | 0 | 0 | 120 | | |
| 6 | V | 31.6 | Very low | 31.5 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | -96.5 | 129.2 | 149.3 | 172 | 0 | 0 | 0 | 0 | 107.4 | | |
| 7 | S | 29.9 | Very low | 31.7 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -127.9 | 113.8 | 156.4 | -64.2 | 0 | 0 | 0 | 0 | 106.3 | S9 | S7-S9 PolarHBondContact O-N 3.27Š|
| 8 | R | 33.2 | Very low | 31.9 | Very low | 249 Ų | 249 | 136.4 Ų | 136.4 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | | | trans | -68.9 | 127.7 | 178.4 | -103.4 | -175 | 171.3 | -174.2 | -2.9 | 109.1 | | |
| 9 | S | 28.1 | Very low | 32 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | | | trans | -112.9 | 169.2 | 176.1 | -169 | 0 | 0 | 0 | 0 | 110.2 | S7 | S7-S9 PolarHBondContact O-N 3.27Š|
| 10 | M | 29.9 | Very low | 32.1 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 67% | 0.665 | 80% | 0.801 | S | S | * | * | | | trans | 69 | 121 | 177.2 | -48.7 | -53.4 | -71.3 | 0 | 0 | 114.7 | Q12 | M10-Q12 HydrophobicContact CE-CG 4.26Š|
| 11 | S | 27.1 | Very low | 32.1 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | | | cis | 79 | 149.2 | 19.9 | -156.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 12 | Q | 31 | Very low | 33.1 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 62% | 0.617 | 78% | 0.784 | S | S | * | * | | | trans | 74.3 | 152.4 | 175.2 | -46.5 | -163 | 15.9 | 0 | 0 | 113.9 | M10 | M10-Q12 HydrophobicContact CE-CG 4.26Š|
| 13 | H | 31.6 | Very low | 32.6 | Very low | 154 Ų | 154 | 119.4 Ų | 119.4 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | cis | -132.2 | 133 | 27.3 | -80.9 | -80.8 | 0 | 0 | 0 | 113.1 | | |
| 14 | S | 29.9 | Very low | 32.7 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | | | | 79.5 | 157.6 | 96.4 | -47.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 15 | S | 32.4 | Very low | 32.3 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | cis | -151.6 | 171.5 | 15.9 | -38.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 16 | G | 33.2 | Very low | 32.7 | Very low | 79 Ų | 79 | 118.9 Ų | 118.9 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | | | trans | 179.8 | -15.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 17 | G | 34.1 | Very low | 33.4 | Very low | 82 Ų | 82 | 118 Ų | 118 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | 71.4 | -171.4 | 175 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 18 | G | 35.6 | Very low | 33.3 | Very low | 87 Ų | 87 | 119.5 Ų | 119.5 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | | | trans | 86.9 | 102.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 19 | G | 34.3 | Very low | 33.1 | Very low | 88 Ų | 88 | 114.9 Ų | 114.9 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | | | trans | -103.6 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 20 | G | 34.4 | Very low | 33.3 | Very low | 81 Ų | 81 | 116.2 Ų | 116.2 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | 147.7 | 116.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 21 | G | 32 | Very low | 33.4 | Very low | 74 Ų | 74 | 117.2 Ų | 117.2 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | -82 | 162.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 22 | P | 49.6 | Very low | 33.4 | Very low | 132 Ų | 132 | 115.5 Ų | 115.5 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | | | trans | -88.9 | 143.3 | -175 | 34.8 | -34.6 | 0 | 0 | 0 | 113.3 | | |
| 23 | C | 27.2 | Very low | 34.3 | Very low | 125 Ų | 125 | 115.4 Ų | 115.4 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | -159.6 | 152.2 | 155.2 | 45 | 0 | 0 | 0 | 0 | 111.9 | | |
| 24 | H | 35.2 | Very low | 34.2 | Very low | 183 Ų | 183 | 111.8 Ų | 111.8 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | | | trans | -71.1 | 154.2 | 160.5 | -77.6 | -121.6 | 0 | 0 | 0 | 109.9 | | |
| 25 | C | 25.1 | Very low | 34.2 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | | | | -177 | 152.3 | 115.3 | -97.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 26 | T | 41.7 | Very low | 34.1 | Very low | 128 Ų | 128 | 116.4 Ų | 116.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -78.2 | 167.9 | 157.6 | 52 | 0 | 0 | 0 | 0 | 109.5 | | |
| 27 | P | 45.1 | Very low | 33.9 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | | -153.5 | -162 | 88.9 | 29.6 | -3.6 | 0 | 0 | 0 | 115.1 | | |
| 28 | D | 28.8 | Very low | 33.9 | Very low | 135 Ų | 135 | 126.6 Ų | 126.6 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | | | trans | 84.6 | 82.9 | 158.6 | -61.5 | -60.4 | 0 | 0 | 0 | 119.9 | | |
| 29 | D | 28.9 | Very low | 33.6 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | | 4.6 | 143.5 | 116.2 | -62.3 | -109.1 | 0 | 0 | 0 | 119.7 | | |
| 30 | C | 32.3 | Very low | 33.3 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | | | trans | -157.5 | 119.4 | 148.8 | -112.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 31 | D | 31.7 | Very low | 33.1 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | trans | 47.5 | 143.4 | 154.3 | -89.2 | -66.6 | 0 | 0 | 0 | 124.8 | | |
| 32 | G | 26.7 | Very low | 32.9 | Very low | 63 Ų | 63 | 137.1 Ų | 137.1 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | | | trans | -104.7 | -132.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 33 | P | 49.7 | Very low | 31.9 | Very low | 130 Ų | 130 | 138 Ų | 138 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | | | cis | -130.5 | 165.7 | -29.9 | 39.4 | -25.9 | 0 | 0 | 0 | 113 | | |
| 34 | G | 30.1 | Very low | 32.1 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | 81.8 | -176.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 35 | R | 30.2 | Very low | 32.1 | Very low | 212 Ų | 212 | 134.4 Ų | 134.4 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | | | cis | -156.9 | 159.6 | -3 | -147.3 | -177 | 179.2 | -101.1 | 4.5 | 110.5 | | |
| 36 | D | 29.8 | Very low | 32.4 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 51% | 0.513 | 74% | 0.744 | S | S | . | * | | | trans | 70.7 | 133.2 | 155.8 | -59.9 | -43.6 | 0 | 0 | 0 | 123.5 | | |
| 37 | Y | 30.1 | Very low | 31.9 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 75% | 0.745 | 74% | 0.743 | S | S | * | * | | | | 19.1 | 156.7 | 126.4 | -62.7 | -94.1 | 0 | 0 | 0 | 121.6 | | |
| 38 | Y | 33.1 | Very low | 31 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 73% | 0.725 | 75% | 0.747 | S | S | * | * | | | cis | -150.5 | -169.2 | 34 | -135.5 | -85.6 | 0 | 0 | 0 | 113.6 | | |
| 39 | H | 29.9 | Very low | 31 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | | | trans | -47.8 | 167.2 | -179.4 | -63.3 | -6.6 | 0 | 0 | 0 | 117.6 | | |
| 40 | G | 28.3 | Very low | 31 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | | | cis | 123.7 | 166.5 | 1.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 41 | R | 30.4 | Very low | 31.7 | Very low | 240 Ų | 240 | 133.5 Ų | 133.5 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | | | trans | 71.7 | 136.2 | -179.1 | -88.8 | -168.7 | 161.6 | -161.1 | -7.9 | 115.4 | | |
| 42 | S | 28 | Very low | 31.8 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 59% | 0.587 | 74% | 0.738 | S | S | * | * | | | cis | 105.3 | 149.5 | 45.7 | -84.7 | 0 | 0 | 0 | 0 | 111 | | |
| 43 | D | 28.5 | Very low | 31.9 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | | | cis | -158.5 | 173.3 | -10 | -78.3 | -28 | 0 | 0 | 0 | 106.4 | | |
| 44 | G | 30.8 | Very low | 30.8 | Very low | 54 Ų | 54 | 134.5 Ų | 134.5 | 56% | 0.557 | 74% | 0.737 | S | S | * | * | | | cis | 156.6 | 139.3 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 45 | H | 34.3 | Very low | 30.8 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | | | trans | 72 | 155.2 | 170.1 | -47.5 | -74.2 | 0 | 0 | 0 | 117.1 | | |
| 46 | Y | 31.8 | Very low | 30.7 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | | | cis | -166.5 | 160.7 | 48.5 | -114.7 | -73.2 | 0 | 0 | 0 | 116.1 | | |
| 47 | Y | 32.1 | Very low | 30.5 | Very low | 198 Ų | 198 | 134.7 Ų | 134.7 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | trans | 59.6 | 148.7 | 158.1 | -74.8 | -57 | 0 | 0 | 0 | 120.1 | | |
| 48 | S | 26.4 | Very low | 30.3 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | | | cis | -148.1 | 168.1 | -7.4 | -82.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 49 | G | 27.8 | Very low | 30 | Very low | 74 Ų | 74 | 131.8 Ų | 131.8 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | | | cis | 172 | 167.4 | 10.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 50 | G | 28.2 | Very low | 29.9 | Very low | 79 Ų | 79 | 130.4 Ų | 130.4 | 81% | 0.814 | 73% | 0.73 | S | S | * | * | | | trans | -75.4 | -168.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 51 | P | 47.1 | Very low | 29.8 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | cis | -139.1 | 149.7 | 33.2 | 47.9 | -31.1 | 0 | 0 | 0 | 115.5 | | |
| 52 | T | 34.3 | Very low | 29.7 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | | | | 94.2 | 130.5 | 95.5 | 55.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 53 | E | 28.6 | Very low | 29.7 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | 61.2 | 147.6 | 140.3 | -63.7 | 178.8 | 169.3 | 0 | 0 | 120.6 | | |
| 54 | A | 27.3 | Very low | 29.7 | Very low | 81 Ų | 81 | 127.8 Ų | 127.8 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | | | cis | 122 | 159.5 | 1.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 55 | L | 29.9 | Very low | 29.8 | Very low | 169 Ų | 169 | 135 Ų | 135 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | | | trans | 72.3 | 154.2 | 170.4 | -52.7 | -176.5 | 0 | 0 | 0 | 116.8 | | |
| 56 | A | 27.7 | Very low | 30.2 | Very low | 74 Ų | 74 | 131.9 Ų | 131.9 | 61% | 0.612 | 75% | 0.749 | S | S | * | * | | | cis | -168.8 | 166.6 | -22.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 57 | L | 27 | Very low | 30 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | trans | 61.2 | 128.2 | 145.9 | -99 | 78.7 | 0 | 0 | 0 | 123.3 | | |
| 58 | E | 24.8 | Very low | 29.9 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 61% | 0.607 | 75% | 0.752 | S | S | * | * | | | | 56 | 122.7 | 120.1 | -123.2 | -168.2 | -142.3 | 0 | 0 | 119.3 | | |
| 59 | R | 26.6 | Very low | 30.3 | Very low | 184 Ų | 184 | 132.8 Ų | 132.8 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | | | | -173.8 | 151.6 | 69 | -88.9 | -163.8 | 174.8 | -129.4 | -24.4 | 115.1 | | |
| 60 | H | 28.4 | Very low | 31.1 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 61% | 0.606 | 76% | 0.755 | S | S | * | * | | | trans | 62 | 103.5 | 138.4 | -74.9 | -122.1 | 0 | 0 | 0 | 122.8 | | |
| 61 | H | 26.9 | Very low | 30.9 | Very low | 162 Ų | 162 | 136 Ų | 136 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | | | | 62.9 | 145.9 | 110.7 | -73.4 | -77.6 | 0 | 0 | 0 | 123.3 | | |
| 62 | S | 26.8 | Very low | 30.1 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | | | trans | 77.3 | 129.3 | 155.3 | 74.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 63 | G | 28 | Very low | 29.8 | Very low | 71 Ų | 71 | 142.9 Ų | 142.9 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | trans | -129.7 | 159.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 64 | T | 28.2 | Very low | 30.5 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | | | trans | -158.4 | 133.7 | 172.1 | -73.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 65 | F | 33.7 | Very low | 30.6 | Very low | 206 Ų | 206 | 140.3 Ų | 140.3 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | | | trans | -85.8 | 137.9 | 161.2 | -76.9 | -84.1 | 0 | 0 | 0 | 108.9 | | |
| 66 | P | 41.8 | Very low | 30.6 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | | -154.4 | 150.9 | 107.8 | 36.3 | -16.9 | 0 | 0 | 0 | 117.9 | | |
| 67 | R | 29.5 | Very low | 30.7 | Very low | 232 Ų | 232 | 144.2 Ų | 144.2 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | | | trans | 32.4 | 121.6 | 135 | -111.6 | 179 | -176.7 | 173.5 | -0.3 | 122.4 | | |
| 68 | S | 28.7 | Very low | 30.6 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | | | trans | 59.8 | 122.4 | 130.8 | 60.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 69 | H | 35.9 | Very low | 30.8 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | | | trans | 23 | 148.4 | 133.1 | -67.3 | -57.4 | 0 | 0 | 0 | 121.5 | | |
| 70 | P | 43.1 | Very low | 30.7 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | cis | -153.4 | 177.2 | 43.4 | 44.1 | -23.8 | 0 | 0 | 0 | 120.2 | | |
| 71 | S | 25.5 | Very low | 30.6 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | 62.4 | 123.1 | 145.8 | -160.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 72 | Q | 28.6 | Very low | 30.6 | Very low | 195 Ų | 195 | 137.6 Ų | 137.6 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | | | trans | -143.8 | 144.5 | 134.4 | -73.6 | -160.7 | -4.3 | 0 | 0 | 111.2 | | |
| 73 | H | 28.6 | Very low | 30.7 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | -140.1 | 143.6 | 169.3 | -102.4 | -65.6 | 0 | 0 | 0 | 106.7 | | |
| 74 | P | 43.9 | Very low | 30.6 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | | -145.5 | -173.4 | 92 | 25.1 | -2 | 0 | 0 | 0 | 112.4 | | |
| 75 | A | 29.2 | Very low | 30.6 | Very low | 78 Ų | 78 | 142.9 Ų | 142.9 | 65% | 0.645 | 77% | 0.768 | S | S | * | * | | | cis | -164.1 | 125.6 | -37.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 76 | L | 29.5 | Very low | 30.3 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | | | | 84.6 | 140.2 | 104.5 | -74.7 | 175.7 | 0 | 0 | 0 | 118.9 | | |
| 77 | Q | 29.2 | Very low | 29.6 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 91.4 | 118.5 | 136.7 | -91.1 | 173.4 | 30 | 0 | 0 | 123.3 | | |
| 78 | S | 26.1 | Very low | 29.5 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | | 119.8 | 107.9 | 110.4 | -165.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 79 | F | 27.8 | Very low | 29.5 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | trans | 61.1 | 136.5 | 136.2 | -82 | -94.4 | 0 | 0 | 0 | 124.9 | | |
| 80 | D | 25.4 | Very low | 29.3 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | 102.1 | 141.9 | 131 | -111.9 | -56.4 | 0 | 0 | 0 | 125.4 | | |
| 81 | S | 25.4 | Very low | 28.5 | Very low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | trans | 70.3 | 105.9 | 140.9 | -79.7 | 0 | 0 | 0 | 0 | 124.9 | | |
| 82 | C | 27.8 | Very low | 28.7 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | | 85.5 | 144.6 | 108.3 | -97.3 | 0 | 0 | 0 | 0 | 124.9 | | |
| 83 | E | 27.9 | Very low | 28.8 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | | | trans | 56 | 156.4 | 166.9 | -37.9 | -58.1 | 101.2 | 0 | 0 | 118.3 | | |
| 84 | E | 26.9 | Very low | 28.9 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | cis | -151.2 | 154.3 | -9.8 | -134.3 | -169.7 | 137.3 | 0 | 0 | 105.2 | | |
| 85 | C | 27.7 | Very low | 28.4 | Very low | 108 Ų | 108 | 130 Ų | 130 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | | | cis | -155.2 | 165.8 | 44.6 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 86 | L | 28.2 | Very low | 28.6 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | -113.3 | 162.7 | 175.2 | -74.4 | 171.3 | 0 | 0 | 0 | 113.5 | | |
| 87 | S | 25.8 | Very low | 29.2 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | trans | 64.9 | 119.8 | 151.2 | -63 | 0 | 0 | 0 | 0 | 120.7 | | |
| 88 | S | 27.7 | Very low | 29.5 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | | -154 | 148.2 | 117 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 89 | G | 30.1 | Very low | 30 | Very low | 63 Ų | 63 | 134 Ų | 134 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | | | trans | -156.5 | 124.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 90 | H | 30.2 | Very low | 30.1 | Very low | 193 Ų | 193 | 131.9 Ų | 131.9 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | | | trans | -152.7 | 162.1 | 176.3 | -77.4 | -51.1 | 0 | 0 | 0 | 108.9 | | |
| 91 | G | 26.5 | Very low | 30.6 | Very low | 66 Ų | 66 | 132.4 Ų | 132.4 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | | | cis | 168.7 | 17.6 | 0.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 92 | G | 29.6 | Very low | 31.2 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | trans | 73.7 | -167 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 93 | K | 30.7 | Very low | 31.8 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | | | trans | 79.7 | 100.4 | 177.1 | -54.5 | 171.9 | -173.7 | 171.9 | 0 | 117.5 | | |
| 94 | M | 30.4 | Very low | 32.2 | Very low | 156 Ų | 156 | 138 Ų | 138 | 77% | 0.768 | 77% | 0.767 | S | S | * | * | | | | 31.4 | 130.2 | 124.4 | -57.9 | 165.7 | 66.7 | 0 | 0 | 119.5 | | |
| 95 | H | 35 | Very low | 32.6 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 62% | 0.62 | 77% | 0.77 | S | S | * | * | | | | -171.9 | 135.1 | 103.3 | -100.5 | -60.6 | 0 | 0 | 0 | 116 | | |
| 96 | R | 32.7 | Very low | 33 | Very low | 209 Ų | 209 | 141.4 Ų | 141.4 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | | | trans | 40.9 | 109.8 | 144.3 | -69.1 | 173.4 | -179.3 | 129.3 | -3 | 120.5 | | |
| 97 | I | 41.8 | Very low | 33.1 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | | | trans | -72.2 | 141.5 | 132.2 | -63.4 | 164 | 0 | 0 | 0 | 108.6 | | |
| 98 | P | 35.1 | Very low | 33.2 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -104.8 | 147.8 | 147.1 | 34.7 | -28.5 | 0 | 0 | 0 | 111.2 | | |
| 99 | P | 37.6 | Very low | 33.6 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | trans | -113.3 | -165 | -158.4 | 43.6 | -35.1 | 0 | 0 | 0 | 114.6 | | |
| 100 | N | 29.9 | Very low | 34 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | trans | 75.6 | 90.3 | 162.6 | -61.6 | 4.9 | 0 | 0 | 0 | 118.2 | | |
| 101 | L | 36.5 | Very low | 33.9 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -148.2 | 37.9 | 142.4 | -137.5 | 168.9 | 0 | 0 | 0 | 112.4 | | |
| 102 | M | 37.5 | Very low | 34.5 | Very low | 182 Ų | 182 | 152 Ų | 152 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -138.9 | 39.4 | 170.6 | -88.1 | -66.8 | 104.1 | 0 | 0 | 111.8 | | |
| 103 | D | 40.7 | Very low | 34.7 | Very low | 130 Ų | 130 | 153.8 Ų | 153.8 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | trans | -143.7 | 84.6 | 158.4 | -175.4 | 22.2 | 0 | 0 | 0 | 109.6 | | |
| 104 | Q | 35.8 | Very low | 34.8 | Very low | 164 Ų | 164 | 151.8 Ų | 151.8 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -152.6 | 14.8 | 171 | -143.5 | -178.7 | 5.9 | 0 | 0 | 114.3 | | |
| 105 | F | 35.4 | Very low | 34.9 | Very low | 191 Ų | 191 | 147.3 Ų | 147.3 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | | | trans | -124.3 | 17.4 | 175.8 | -80.8 | -75.6 | 0 | 0 | 0 | 113.9 | K107 | F105-K107 PolarHBondContact O-N 3.13Š|
| 106 | E | 36.6 | Very low | 34.7 | Very low | 155 Ų | 155 | 150 Ų | 150 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | | | trans | -72.7 | 76.5 | 156.2 | -167.3 | 178.2 | -137.2 | 0 | 0 | 110.2 | | |
| 107 | K | 29.4 | Very low | 34.7 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | | | trans | -179.3 | 111.7 | 164 | -93.6 | 137.2 | -170.6 | 167.4 | 0 | 105.2 | F105 | F105-K107 PolarHBondContact O-N 3.13Š|
| 108 | Q | 28.2 | Very low | 34.5 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | | | cis | -139.5 | 142.2 | 23.1 | -61.1 | 167.3 | 2.7 | 0 | 0 | 111.9 | | |
| 109 | V | 35.9 | Very low | 34.3 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | | | trans | -101.4 | 167.8 | 169.5 | -154.5 | 0 | 0 | 0 | 0 | 106.2 | | |
| 110 | P | 39.3 | Very low | 34.1 | Very low | 94 Ų | 94 | 153.2 Ų | 153.2 | 61% | 0.61 | 78% | 0.78 | S | S | * | * | | | cis | -122.9 | -172.6 | 9.2 | 15.6 | 14.2 | 0 | 0 | 0 | 113 | | |
| 111 | F | 27.5 | Very low | 34.3 | Very low | 189 Ų | 189 | 156.8 Ų | 156.8 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | cis | -154.5 | 154.9 | 39.6 | -84.8 | -93 | 0 | 0 | 0 | 114.3 | | |
| 112 | H | 38 | Very low | 34 | Very low | 163 Ų | 163 | 159.4 Ų | 159.4 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -138.1 | 128.6 | 153.4 | -154 | -85.3 | 0 | 0 | 0 | 108.3 | D114 | H112-D114 IonicContact ND1-OD1 3.75Š|
| 113 | P | 34.8 | Very low | 33.9 | Very low | 111 Ų | 111 | 161 Ų | 161 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | trans | -114.7 | 130.5 | 165.1 | 34.6 | -24.3 | 0 | 0 | 0 | 111.2 | | |
| 114 | D | 33.7 | Very low | 33.3 | Very low | 151 Ų | 151 | 161.9 Ų | 161.9 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | trans | -81.4 | 155.4 | 170.6 | -58 | -51.1 | 0 | 0 | 0 | 111.4 | H112 | H112-D114 IonicContact ND1-OD1 3.75Š|
| 115 | G | 31.8 | Very low | 33.1 | Very low | 63 Ų | 63 | 158.5 Ų | 158.5 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | trans | 138 | 91 | 145.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 116 | F | 31.5 | Very low | 33 | Very low | 191 Ų | 191 | 155.4 Ų | 155.4 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | trans | 54.6 | 152.6 | 139.9 | -68.7 | -87.7 | 0 | 0 | 0 | 122.7 | | |
| 117 | H | 32 | Very low | 32.8 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | | | trans | 73.9 | 134.7 | 170.3 | -50.7 | 100.9 | 0 | 0 | 0 | 116.2 | | |
| 118 | T | 37.5 | Very low | 33.2 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | | | cis | -143.8 | 128.6 | -17.7 | 42 | 0 | 0 | 0 | 0 | 108.1 | Q120 | T118-Q120 PolarHBondContact O-N 3.37Š|
| 119 | L | 30.6 | Very low | 33.5 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | | | trans | -85.5 | 108.5 | 164.9 | -75.7 | 177.5 | 0 | 0 | 0 | 109.7 | | |
| 120 | Q | 33.3 | Very low | 33.3 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -65.5 | 142.3 | 166 | -71.9 | 179.9 | -53.7 | 0 | 0 | 110 | T118 Q122 | T118-Q120 PolarHBondContact O-N 3.37Å; Q120-Q122 PolarHBondContact O-N 3.44Å |
| 121 | Y | 34.8 | Very low | 33.3 | Very low | 220 Ų | 220 | 149.5 Ų | 149.5 | 86% | 0.863 | 82% | 0.819 | S | S | * | * | | | trans | -69.2 | 116.7 | 170.6 | -85.5 | -98.9 | 0 | 0 | 0 | 111 | | |
| 122 | Q | 30.7 | Very low | 34.1 | Very low | 200 Ų | 200 | 151.7 Ų | 151.7 | 94% | 0.935 | 82% | 0.821 | S | S | * | * | | | trans | -144.3 | 160.3 | 140.8 | -125.4 | 163.1 | 5.2 | 0 | 0 | 111.3 | Q120 | Q120-Q122 PolarHBondContact O-N 3.44Š|
| 123 | R | 33.7 | Very low | 34.1 | Very low | 214 Ų | 214 | 149.3 Ų | 149.3 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | | | trans | -137.4 | 124.8 | -140.2 | -173.7 | -162.5 | -54.4 | -133.6 | 2.4 | 112.5 | | |
| 124 | T | 28.3 | Very low | 34.6 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 92% | 0.92 | 82% | 0.816 | S | S | * | * | | | trans | -130.8 | 153.8 | 155.3 | 42.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 125 | A | 32 | Very low | 35.4 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -129.1 | 175.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 126 | S | 33.3 | Very low | 36.9 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | | | cis | -157.3 | 166 | 3.8 | 38.9 | 0 | 0 | 0 | 0 | 109 | | |
| 127 | G | 33.2 | Very low | 38.2 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | -162.2 | 154.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 128 | G | 37.8 | Very low | 40 | Very low | 78 Ų | 78 | 140.8 Ų | 140.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 79.4 | 110.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 129 | A | 34.5 | Very low | 41.7 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | | | trans | 19.2 | 119.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 130 | E | 31.1 | Very low | 43.8 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 93% | 0.925 | 74% | 0.743 | S | S | * | * | | | | -162.3 | 175.6 | 119.4 | -121.2 | -168.2 | 161.7 | 0 | 0 | 113.2 | | |
| 131 | H | 39.4 | Very low | 45.8 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | | | trans | -68.4 | 165.9 | 172.9 | -106.3 | -125 | 0 | 0 | 0 | 112.9 | | |
| 132 | R | 44.8 | Very low | 48.1 | Very low | 235 Ų | 235 | 131.7 Ų | 131.7 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | | | trans | 64.6 | 89.5 | 164.2 | -66.4 | 176.4 | 173.4 | 108.1 | -0.9 | 117.5 | | |
| 133 | S | 37.2 | Very low | 50.4 | Low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | | | trans | -144.7 | 67.2 | 146.6 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | S135 | S133-S135 PolarHBondContact O-N 3.14Š|
| 134 | E | 45.6 | Very low | 52.3 | Low | 122 Ų | 122 | 118.4 Ų | 118.4 | 57% | 0.57 | 68% | 0.675 | S | S | * | * | | | trans | -64.5 | 107.8 | 164.3 | -73.8 | -147.6 | 105 | 0 | 0 | 109.6 | R138 | E134-R138 VanDerWaalsContact OE1-CD 3.27Å; E134-R138 WeakPolarHBondContact OE1-CD 3.46Å; E134-R138 IonicContact OE1-CZ 2.8Å; E134-R138 IonicContact OE1-NE 2.78Å; E134-R138 IonicContact OE1-NH1 3.63Å; E134-R138 PolarHBondContact OE1-NH1 2.66Å |
| 135 | S | 50.8 | Low | 54.7 | Low | 73 Ų | 73 | 114.3 Ų | 114.3 | 51% | 0.51 | 65% | 0.652 | S | S | . | * | | | trans | -50 | 133.8 | -176.7 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | S133 S137 R138 I139 | S133-S135 PolarHBondContact O-N 3.14Å; S135-S137 CarbonylContact O-C 3.58Å; S135-S137 PolarHBondContact O-N 2.85Å; S135-R138 WeakPolarHBondContact O-CA 3.31Å; S135-R138 WeakPolarHBondContact O-CB 3.39Å; S135-R138 PolarHBondContact O-N 3.23Å; S135-I139 PolarHBondContact O-N 2.83Å |
| 136 | P | 63.5 | Low | 57.1 | Low | 94 Ų | 94 | 112.9 Ų | 112.9 | 61% | 0.61 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -57 | -16.4 | 175.7 | -28.6 | 35.9 | 0 | 0 | 0 | 114.4 | R140 | P136-R140 WeakPolarHBondContact O-CB 3.35Å; P136-R140 VanDerWaalsContact O-CG 3.25Å; P136-R140 WeakPolarHBondContact O-CG 3.43Å; P136-R140 PolarHBondContact O-N 3.34Å; P136-R140 VanDerWaalsContact O-N 3.1Å; P136-R140 PolarHBondContact O-NE 3.25Å |
| 137 | S | 57.7 | Low | 59.1 | Low | 54 Ų | 54 | 112.1 Ų | 112.1 | 38% | 0.378 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.5 | -44.2 | 166.5 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | S135 I139 R140 H141 | S135-S137 CarbonylContact O-C 3.58Å; S135-S137 PolarHBondContact O-N 2.85Å; S137-I139 PolarHBondContact O-N 2.71Å; S137-R140 CarbonylContact O-C 3.59Å; S137-R140 PolarHBondContact O-N 2.94Å; S137-R140 VanDerWaalsContact O-N 3.17Å; S137-R140 PolarHBondContact OG-NH2 3.32Å; S137-H141 PolarHBondContact O-CD2 3.01Å; S137-H141 PolarHBondContact O-N 3.27Å |
| 138 | R | 69.4 | Low | 60.8 | Low | 168 Ų | 168 | 116.3 Ų | 116.3 | 63% | 0.634 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.5 | -44.2 | 177.7 | -156.2 | -172.1 | -150 | -169.7 | 7.2 | 111.1 | E134 S135 R140 H141 L142 | E134-R138 VanDerWaalsContact OE1-CD 3.27Å; E134-R138 WeakPolarHBondContact OE1-CD 3.46Å; E134-R138 IonicContact OE1-CZ 2.8Å; E134-R138 IonicContact OE1-NE 2.78Å; E134-R138 IonicContact OE1-NH1 3.63Å; E134-R138 PolarHBondContact OE1-NH1 2.66Å; S135-R138 WeakPolarHBondContact O-CA 3.31Å; S135-R138 WeakPolarHBondContact O-CB 3.39Å; S135-R138 PolarHBondContact O-N 3.23Å; R138-R140 PolarHBondContact O-N 3.47Å; R138-H141 PolarHBondContact O-N 2.86Å; R138-L142 WeakPolarHBondContact O-CB 3.47Å; R138-L142 PolarHBondContact O-N 3.4Å |
| 139 | I | 73.8 | Confident | 62.4 | Low | 89 Ų | 89 | 118.1 Ų | 118.1 | 46% | 0.456 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.4 | -45.1 | 173.9 | -60.6 | 173.5 | 0 | 0 | 0 | 110.6 | S135 S137 H141 L142 V143 | S135-I139 PolarHBondContact O-N 2.83Å; S137-I139 PolarHBondContact O-N 2.71Å; I139-H141 PolarHBondContact O-N 2.71Å; I139-L142 PolarHBondContact O-N 3.35Å; I139-V143 HydrophobicContact CG2-CG2 4.43Å; I139-V143 WeakPolarHBondContact O-CB 3.32Å; I139-V143 VanDerWaalsContact O-CG2 3.29Å; I139-V143 WeakPolarHBondContact O-CG2 3.47Å; I139-V143 PolarHBondContact O-N 2.67Å |
| 140 | R | 75.7 | Confident | 63.7 | Low | 161 Ų | 161 | 119.7 Ų | 119.7 | 61% | 0.608 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.9 | -36.9 | 176.2 | -75.6 | 175.6 | -64.5 | 166.9 | 4.8 | 113.3 | P136 S137 R138 N144 | P136-R140 WeakPolarHBondContact O-CB 3.35Å; P136-R140 VanDerWaalsContact O-CG 3.25Å; P136-R140 WeakPolarHBondContact O-CG 3.43Å; P136-R140 PolarHBondContact O-N 3.34Å; P136-R140 VanDerWaalsContact O-N 3.1Å; P136-R140 PolarHBondContact O-NE 3.25Å; S137-R140 CarbonylContact O-C 3.59Å; S137-R140 PolarHBondContact O-N 2.94Å; S137-R140 VanDerWaalsContact O-N 3.17Å; S137-R140 PolarHBondContact OG-NH2 3.32Å; R138-R140 PolarHBondContact O-N 3.47Å; R140-N144 WeakPolarHBondContact O-CB 3.43Å; R140-N144 PolarHBondContact O-N 2.91Å |
| 141 | H | 75.1 | Confident | 64.9 | Low | 131 Ų | 131 | 114.3 Ų | 114.3 | 61% | 0.606 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.3 | -41 | 174.2 | -74.6 | -66.6 | 0 | 0 | 0 | 111.7 | S137 R138 I139 N144 S145 | S137-H141 PolarHBondContact O-CD2 3.01Å; S137-H141 PolarHBondContact O-N 3.27Å; R138-H141 PolarHBondContact O-N 2.86Å; I139-H141 PolarHBondContact O-N 2.71Å; H141-N144 PolarHBondContact O-N 3.08Å; H141-S145 WeakPolarHBondContact O-CB 3.39Å; H141-S145 PolarHBondContact O-N 3.13Å; H141-S145 PolarHBondContact O-OG 2.78Å |
| 142 | L | 82.6 | Confident | 65.2 | Low | 121 Ų | 121 | 115.1 Ų | 115.1 | 63% | 0.634 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.4 | -49.2 | 173.6 | -164.3 | 75.6 | 0 | 0 | 0 | 110.6 | R138 I139 N144 S145 V146 | R138-L142 WeakPolarHBondContact O-CB 3.47Å; R138-L142 PolarHBondContact O-N 3.4Å; I139-L142 PolarHBondContact O-N 3.35Å; L142-N144 VanDerWaalsContact C-N 3.33Å; L142-N144 PolarHBondContact O-N 3.45Å; L142-S145 PolarHBondContact O-N 3.18Å; L142-V146 VanDerWaalsContact O-CB 3.31Å; L142-V146 WeakPolarHBondContact O-CB 3.42Å; L142-V146 VanDerWaalsContact O-CG2 3.23Å; L142-V146 WeakPolarHBondContact O-CG2 3.18Å; L142-V146 PolarHBondContact O-N 2.84Å |
| 143 | V | 79.8 | Confident | 65.3 | Low | 71 Ų | 71 | 105.6 Ų | 105.6 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59 | -41.4 | 175.2 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | I139 V146 Q147 | I139-V143 HydrophobicContact CG2-CG2 4.43Å; I139-V143 WeakPolarHBondContact O-CB 3.32Å; I139-V143 VanDerWaalsContact O-CG2 3.29Å; I139-V143 WeakPolarHBondContact O-CG2 3.47Å; I139-V143 PolarHBondContact O-N 2.67Å; V143-V146 PolarHBondContact O-N 2.83Å; V143-Q147 HydrophobicContact CG1-CG 4.38Å; V143-Q147 VanDerWaalsContact O-CB 3.29Å; V143-Q147 WeakPolarHBondContact O-CB 3.35Å; V143-Q147 WeakPolarHBondContact O-CG 3.37Å; V143-Q147 PolarHBondContact O-N 3.12Å |
| 144 | N | 73.3 | Confident | 65.7 | Low | 65 Ų | 65 | 106.2 Ų | 106.2 | 35% | 0.348 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.5 | -36.7 | 179.6 | -151.1 | -87.5 | 0 | 0 | 0 | 112.5 | R140 H141 L142 Q147 R148 | R140-N144 WeakPolarHBondContact O-CB 3.43Å; R140-N144 PolarHBondContact O-N 2.91Å; H141-N144 PolarHBondContact O-N 3.08Å; L142-N144 VanDerWaalsContact C-N 3.33Å; L142-N144 PolarHBondContact O-N 3.45Å; N144-Q147 PolarHBondContact O-N 2.86Å; N144-R148 VanDerWaalsContact O-CG 3.28Å; N144-R148 WeakPolarHBondContact O-CG 3.27Å; N144-R148 PolarHBondContact O-N 3.33Å; N144-R148 PolarHBondContact OD1-NE 2.98Å; N144-R148 PolarHBondContact OD1-NH2 3Å |
| 145 | S | 78.6 | Confident | 65.6 | Low | 64 Ų | 64 | 105.1 Ų | 105.1 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 172.8 | -69.5 | 0 | 0 | 0 | 0 | 112 | H141 L142 R148 L149 | H141-S145 WeakPolarHBondContact O-CB 3.39Å; H141-S145 PolarHBondContact O-N 3.13Å; H141-S145 PolarHBondContact O-OG 2.78Å; L142-S145 PolarHBondContact O-N 3.18Å; S145-R148 PolarHBondContact O-N 2.94Å; S145-L149 PolarHBondContact O-N 2.9Å |
| 146 | V | 81.6 | Confident | 65.4 | Low | 61 Ų | 61 | 108.8 Ų | 108.8 | 37% | 0.37 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.5 | -41.8 | 173.4 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | L142 V143 R148 L149 F150 | L142-V146 VanDerWaalsContact O-CB 3.31Å; L142-V146 WeakPolarHBondContact O-CB 3.42Å; L142-V146 VanDerWaalsContact O-CG2 3.23Å; L142-V146 WeakPolarHBondContact O-CG2 3.18Å; L142-V146 PolarHBondContact O-N 2.84Å; V143-V146 PolarHBondContact O-N 2.83Å; V146-R148 VanDerWaalsContact C-N 3.31Å; V146-R148 PolarHBondContact O-N 2.84Å; V146-L149 PolarHBondContact O-N 2.76Å; V146-F150 HydrophobicContact CG1-CD2 3.62Å; V146-F150 HydrophobicContact CG1-CE2 3.6Å; V146-F150 WeakPolarHBondContact O-CD2 3.48Å; V146-F150 PolarHBondContact O-N 2.83Å |
| 147 | Q | 75.9 | Confident | 64.3 | Low | 110 Ų | 110 | 111.6 Ų | 111.6 | 51% | 0.514 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.1 | -36.3 | 172.4 | -78.2 | 169.1 | -16.9 | 0 | 0 | 112.6 | V143 N144 A151 | V143-Q147 HydrophobicContact CG1-CG 4.38Å; V143-Q147 VanDerWaalsContact O-CB 3.29Å; V143-Q147 WeakPolarHBondContact O-CB 3.35Å; V143-Q147 WeakPolarHBondContact O-CG 3.37Å; V143-Q147 PolarHBondContact O-N 3.12Å; N144-Q147 PolarHBondContact O-N 2.86Å; Q147-A151 WeakPolarHBondContact O-CB 3.4Å; Q147-A151 PolarHBondContact O-N 3.13Å |
| 148 | R | 68.9 | Low | 63.1 | Low | 166 Ų | 166 | 113.7 Ų | 113.7 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.3 | -30.9 | 174.7 | -69.7 | 171.7 | -153.5 | -175.6 | 3.1 | 113.2 | N144 S145 V146 K152 | N144-R148 VanDerWaalsContact O-CG 3.28Å; N144-R148 WeakPolarHBondContact O-CG 3.27Å; N144-R148 PolarHBondContact O-N 3.33Å; N144-R148 PolarHBondContact OD1-NE 2.98Å; N144-R148 PolarHBondContact OD1-NH2 3Å; S145-R148 PolarHBondContact O-N 2.94Å; V146-R148 VanDerWaalsContact C-N 3.31Å; V146-R148 PolarHBondContact O-N 2.84Å; R148-K152 WeakPolarHBondContact O-CB 3.27Å; R148-K152 PolarHBondContact O-N 3.39Å |
| 149 | L | 70.9 | Confident | 61.5 | Low | 115 Ų | 115 | 111.8 Ų | 111.8 | 60% | 0.602 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.5 | -52.1 | 170.7 | -78.2 | 159.9 | 0 | 0 | 0 | 110.2 | S145 V146 A151 K152 S153 | S145-L149 PolarHBondContact O-N 2.9Å; V146-L149 PolarHBondContact O-N 2.76Å; L149-A151 VanDerWaalsContact C-N 3.29Å; L149-A151 PolarHBondContact O-N 2.67Å; L149-K152 CarbonylContact O-C 3.51Å; L149-K152 WeakPolarHBondContact O-CA 3.37Å; L149-K152 PolarHBondContact O-N 2.76Å; L149-S153 PolarHBondContact O-N 3.26Å; L149-S153 PolarHBondContact O-OG 3.39Å |
| 150 | F | 62.2 | Low | 60.1 | Low | 137 Ų | 137 | 114 Ų | 114 | 60% | 0.601 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.7 | -32.5 | 175.9 | -81.5 | -66.3 | 0 | 0 | 0 | 113.7 | V146 K152 | V146-F150 HydrophobicContact CG1-CD2 3.62Å; V146-F150 HydrophobicContact CG1-CE2 3.6Å; V146-F150 WeakPolarHBondContact O-CD2 3.48Å; V146-F150 PolarHBondContact O-N 2.83Å; F150-K152 PolarHBondContact O-N 2.81Å |
| 151 | A | 56.4 | Low | 57.9 | Low | 84 Ų | 84 | 116.7 Ų | 116.7 | 69% | 0.694 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -8.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q147 L149 | Q147-A151 WeakPolarHBondContact O-CB 3.4Å; Q147-A151 PolarHBondContact O-N 3.13Å; L149-A151 VanDerWaalsContact C-N 3.29Å; L149-A151 PolarHBondContact O-N 2.67Å |
| 152 | K | 46.2 | Very low | 55.8 | Low | 183 Ų | 183 | 120.8 Ų | 120.8 | 80% | 0.796 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -11.4 | -179.4 | -156.1 | 168.7 | -175.2 | -179.3 | 0 | 113.4 | R148 L149 F150 | R148-K152 WeakPolarHBondContact O-CB 3.27Å; R148-K152 PolarHBondContact O-N 3.39Å; L149-K152 CarbonylContact O-C 3.51Å; L149-K152 WeakPolarHBondContact O-CA 3.37Å; L149-K152 PolarHBondContact O-N 2.76Å; F150-K152 PolarHBondContact O-N 2.81Å |
| 153 | S | 47 | Very low | 53.1 | Low | 34 Ų | 34 | 123.1 Ų | 123.1 | 24% | 0.238 | 64% | 0.642 | C | S | . | * | S | Bend | trans | -105.4 | 38 | 173.1 | 70.7 | 0 | 0 | 0 | 0 | 112.4 | L149 E292 | L149-S153 PolarHBondContact O-N 3.26Å; L149-S153 PolarHBondContact O-OG 3.39Å; S153-E292 VanDerWaalsContact C-CD 3.46Å; S153-E292 VanDerWaalsContact O-CD 3.29Å |
| 154 | H | 44.2 | Very low | 50.7 | Low | 128 Ų | 128 | 129.3 Ų | 129.3 | 59% | 0.593 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -141.7 | 29 | -176.7 | -136.7 | -37.8 | 0 | 0 | 0 | 112.6 | E292 | H154-E292 WeakPolarHBondContact CA-OE1 3.43Å; H154-E292 VanDerWaalsContact CA-OE2 3.31Å; H154-E292 WeakPolarHBondContact CA-OE2 3.36Å; H154-E292 PolarHBondContact N-OE1 3.45Å |
| 155 | S | 44.2 | Very low | 48.5 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -134.3 | -7.4 | -169.7 | -172.1 | 0 | 0 | 0 | 0 | 114.2 | E292 | S155-E292 PolarHBondContact N-OE1 2.85Å; S155-E292 PolarHBondContact N-OE2 3.06Å |
| 156 | L | 46.3 | Very low | 46.1 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -145.4 | 36.4 | -173.7 | -76.4 | -179 | 0 | 0 | 0 | 114.9 | E292 | L156-E292 PolarHBondContact N-OE1 2.89Š|
| 157 | E | 39.9 | Very low | 43.5 | Very low | 152 Ų | 152 | 140 Ų | 140 | 71% | 0.71 | 72% | 0.722 | S | S | * | * | | | trans | -156.7 | 106.2 | 150.2 | -116.7 | 155.5 | -150.8 | 0 | 0 | 114.6 | E292 | E157-E292 HydrophobicContact CB-CB 3.79Å; E157-E292 HydrophobicContact CB-CG 3.88Å; E157-E292 VanDerWaalsContact N-CD 3.3Å; E157-E292 PolarHBondContact N-OE2 3.09Å |
| 158 | A | 32.4 | Very low | 41.2 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | | | trans | -149.5 | 146.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 159 | P | 35.8 | Very low | 39.3 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | | | | -119.6 | 170.5 | -115.7 | 38.8 | -32 | 0 | 0 | 0 | 116.3 | | |
| 160 | T | 44.8 | Very low | 37.2 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | trans | -73.2 | 141.5 | 177.9 | 52.7 | 0 | 0 | 0 | 0 | 113 | | |
| 161 | K | 30.9 | Very low | 35.8 | Very low | 217 Ų | 217 | 137.4 Ų | 137.4 | 94% | 0.943 | 77% | 0.767 | S | S | * | * | | | trans | -155.1 | 164.8 | 150.3 | -118.5 | 168.4 | -172.4 | 178.5 | 0 | 113.1 | | |
| 162 | R | 31 | Very low | 34.5 | Very low | 216 Ų | 216 | 140.4 Ų | 140.4 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | | | trans | -101.1 | 147.1 | -160.5 | -171.9 | -155.7 | -163 | 180 | 8.4 | 110.2 | | |
| 163 | E | 25.4 | Very low | 33.6 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | | 166.7 | -173.3 | 121.8 | -87.6 | 172.6 | -163.5 | 0 | 0 | 113.8 | | |
| 164 | Y | 29.2 | Very low | 32.9 | Very low | 202 Ų | 202 | 151.1 Ų | 151.1 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | trans | -144 | 122 | -140.5 | 175.8 | -80.1 | 0 | 0 | 0 | 112.3 | | |
| 165 | N | 27.4 | Very low | 32.4 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | | | trans | 161.1 | 169.1 | 149.2 | -95.5 | -54 | 0 | 0 | 0 | 111.5 | | |
| 166 | G | 27.5 | Very low | 31.8 | Very low | 72 Ų | 72 | 149.5 Ų | 149.5 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | 140.7 | 39.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | R168 | G166-R168 PolarHBondContact O-N 3.42Š|
| 167 | M | 26.2 | Very low | 31.2 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | -77.2 | 105.5 | 173.1 | 173.6 | 57.9 | 168.8 | 0 | 0 | 112.5 | | |
| 168 | R | 28.2 | Very low | 30.8 | Very low | 244 Ų | 244 | 148.1 Ų | 148.1 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | trans | 179 | 143.5 | 154.4 | -101 | 165.1 | -165.3 | -113.1 | 5.4 | 109.1 | G166 | G166-R168 PolarHBondContact O-N 3.42Š|
| 169 | G | 28.5 | Very low | 30.8 | Very low | 72 Ų | 72 | 147.7 Ų | 147.7 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | cis | 146.7 | 106.3 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 170 | G | 28.6 | Very low | 30.4 | Very low | 86 Ų | 86 | 145.3 Ų | 145.3 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | | | trans | 87.2 | 139.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 171 | G | 31.2 | Very low | 29.8 | Very low | 71 Ų | 71 | 146.9 Ų | 146.9 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | | | cis | 171.7 | -156.8 | -5.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 172 | E | 29 | Very low | 29.7 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | | | trans | 85.8 | 63.1 | 146.6 | -46 | -132.6 | 145.8 | 0 | 0 | 121.6 | | |
| 173 | Y | 28.5 | Very low | 29.8 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 74% | 0.737 | 80% | 0.804 | S | S | * | * | | | trans | 66.8 | 151.2 | 130.4 | -27 | -59.4 | 0 | 0 | 0 | 123.4 | | |
| 174 | R | 32.4 | Very low | 30 | Very low | 254 Ų | 254 | 137.9 Ų | 137.9 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | | | trans | 66.9 | 132.3 | 168.5 | -57.2 | -177.7 | 177.8 | -169.9 | 0.1 | 116.1 | | |
| 175 | G | 32.7 | Very low | 30.3 | Very low | 73 Ų | 73 | 131.4 Ų | 131.4 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | cis | 125.5 | 127.7 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 176 | D | 31.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | trans | 57.1 | 112.6 | 168 | -159 | 35.7 | 0 | 0 | 0 | 114.8 | | |
| 177 | R | 33.5 | Very low | 30.5 | Very low | 198 Ų | 198 | 136.4 Ų | 136.4 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | | | | -171.5 | 158.4 | 70.8 | -85.2 | 178.6 | -178.2 | 167.2 | 4.8 | 113.9 | | |
| 178 | G | 33.2 | Very low | 30.7 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | | 58.1 | 109.7 | 127.5 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 179 | G | 31.1 | Very low | 30.8 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | | | trans | -90.1 | -176.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 180 | G | 28.8 | Very low | 30.8 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | | | trans | 157.1 | 114.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 181 | H | 32 | Very low | 30.9 | Very low | 169 Ų | 169 | 135 Ų | 135 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | | | trans | -59.5 | 152.3 | 168.6 | -54.4 | -91 | 0 | 0 | 0 | 112.4 | | |
| 182 | R | 28.6 | Very low | 30.7 | Very low | 225 Ų | 225 | 135.1 Ų | 135.1 | 85% | 0.849 | 77% | 0.765 | S | S | * | * | | | | -169.9 | 132.4 | 129.3 | -100.3 | 143.4 | -160.7 | -87.6 | 1.9 | 113.5 | | |
| 183 | S | 32.6 | Very low | 30.9 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | -88.4 | 160 | 163.8 | -29.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 184 | G | 30.5 | Very low | 31.2 | Very low | 67 Ų | 67 | 134.8 Ų | 134.8 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | | | trans | 159.3 | 150.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 185 | G | 33.8 | Very low | 31.1 | Very low | 67 Ų | 67 | 127.9 Ų | 127.9 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | | | trans | 90.2 | 83.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 186 | E | 30.8 | Very low | 30.9 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | cis | 92.3 | 165.1 | 14.6 | 106.8 | -162.2 | 70.9 | 0 | 0 | 117.5 | | |
| 187 | E | 28.4 | Very low | 30.8 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | 72.9 | 135 | -163.2 | -64.4 | -143.2 | 112.7 | 0 | 0 | 116.3 | | |
| 188 | V | 31.3 | Very low | 30.5 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 58% | 0.582 | 77% | 0.766 | S | S | * | * | | | cis | -155.9 | 159.3 | -7.6 | -102.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 189 | H | 29.9 | Very low | 30.5 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | | | cis | -120.1 | -159.4 | -8.1 | -71.5 | -71 | 0 | 0 | 0 | 107.6 | | |
| 190 | Y | 29.6 | Very low | 30.5 | Very low | 199 Ų | 199 | 141.4 Ų | 141.4 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | | | cis | -154.9 | 159.8 | 9.2 | -122.7 | -62.8 | 0 | 0 | 0 | 109.2 | | |
| 191 | S | 28.6 | Very low | 30.3 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | trans | 41.2 | 119.5 | 161.2 | -59 | 0 | 0 | 0 | 0 | 119.7 | | |
| 192 | G | 28.8 | Very low | 29.9 | Very low | 72 Ų | 72 | 144.7 Ų | 144.7 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | trans | 178.9 | -19 | 165.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 193 | H | 32.9 | Very low | 29.9 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | | | trans | 63.9 | 120.2 | 174.9 | -82.2 | -113.5 | 0 | 0 | 0 | 120.3 | | |
| 194 | Q | 34.3 | Very low | 30 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | 87.2 | 95.6 | 133.9 | -67.1 | -179.2 | 8.2 | 0 | 0 | 122.9 | | |
| 195 | S | 29.9 | Very low | 29.8 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | | | | 77.3 | 90.2 | 109.2 | -58.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 196 | R | 29.7 | Very low | 29.9 | Very low | 219 Ų | 219 | 154.3 Ų | 154.3 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | trans | -24 | 140.8 | 142.4 | -54.8 | 165.5 | 176.3 | 160.1 | -0.8 | 115.1 | | |
| 197 | S | 28.3 | Very low | 30 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | -158.3 | 136.6 | 130.3 | -165.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 198 | T | 27 | Very low | 30.2 | Very low | 109 Ų | 109 | 152.2 Ų | 152.2 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | | | trans | -74.2 | 156.2 | 173.2 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 199 | R | 34.1 | Very low | 30.1 | Very low | 206 Ų | 206 | 152.6 Ų | 152.6 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | trans | -174 | 137.5 | 138 | -101.5 | 143.5 | -160.5 | -123.8 | 4.1 | 116 | | |
| 200 | R | 31.3 | Very low | 30.2 | Very low | 196 Ų | 196 | 149.1 Ų | 149.1 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | | | trans | 47 | 105.5 | 136.8 | -70.7 | -179.8 | 163.9 | 82 | 0 | 120.5 | | |
| 201 | S | 23.5 | Very low | 30.2 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | | 18.8 | 132.3 | 101.3 | -38.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 202 | K | 24.6 | Very low | 30.2 | Very low | 208 Ų | 208 | 146.5 Ų | 146.5 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | | | trans | 68.3 | 151.5 | 165.1 | -54 | -177.3 | 177.4 | -178 | 0 | 113 | | |
| 203 | S | 26.8 | Very low | 30.2 | Very low | 103 Ų | 103 | 154 Ų | 154 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | cis | -164 | 164.5 | 30.6 | 66.3 | 0 | 0 | 0 | 0 | 115 | | |
| 204 | R | 35.5 | Very low | 30 | Very low | 191 Ų | 191 | 154 Ų | 154 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | | 91.8 | 111.6 | 129.2 | -166.3 | 161.3 | -156.7 | 159.8 | 15.1 | 119.4 | | |
| 205 | E | 26.5 | Very low | 29.7 | Very low | 143 Ų | 143 | 153.7 Ų | 153.7 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | | | trans | 41.5 | 122.3 | 135.7 | -59.5 | 151.6 | -152.9 | 0 | 0 | 117.5 | | |
| 206 | R | 35.2 | Very low | 29.7 | Very low | 247 Ų | 247 | 152.8 Ų | 152.8 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | | | | -145.5 | 147.7 | 66.9 | -126.2 | 170.3 | -178.7 | 147.6 | -1.9 | 116 | | |
| 207 | S | 33.1 | Very low | 29.8 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -48.9 | 167.1 | 161.8 | -26.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 208 | K | 33.4 | Very low | 29.9 | Very low | 190 Ų | 190 | 149.7 Ų | 149.7 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | cis | -165.9 | 156.9 | 43.8 | -159.6 | -177.2 | 175.4 | -174.3 | 0 | 113.4 | | |
| 209 | S | 29.9 | Very low | 30.2 | Very low | 103 Ų | 103 | 153.2 Ų | 153.2 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | 56.2 | 118.2 | 152.5 | 51.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 210 | G | 31.1 | Very low | 30 | Very low | 75 Ų | 75 | 149.3 Ų | 149.3 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | | 91.7 | 140.2 | 113.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 211 | D | 29.4 | Very low | 30 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | | | cis | -144.7 | -169.8 | -5.7 | -144.3 | -46.2 | 0 | 0 | 0 | 111.1 | | |
| 212 | S | 28 | Very low | 30.3 | Very low | 102 Ų | 102 | 151.1 Ų | 151.1 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | | | trans | -94.4 | 157.1 | -152.5 | 46.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 213 | R | 29.7 | Very low | 30.8 | Very low | 229 Ų | 229 | 152.7 Ų | 152.7 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | -76.7 | 145.7 | 158.6 | -49.4 | 165.5 | 178.4 | 165 | -4.7 | 108.3 | | |
| 214 | H | 29.5 | Very low | 31.1 | Very low | 169 Ų | 169 | 154.8 Ų | 154.8 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | | | | -164.3 | 113.3 | 119.8 | -128.4 | -115.9 | 0 | 0 | 0 | 115.4 | | |
| 215 | E | 27 | Very low | 31 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | | | | 30.7 | 144.3 | 111.7 | -144.4 | 71.8 | -175.9 | 0 | 0 | 121.8 | | |
| 216 | S | 30.4 | Very low | 31.1 | Very low | 90 Ų | 90 | 146.9 Ų | 146.9 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | | | trans | 85.6 | 131.9 | 158.5 | -57 | 0 | 0 | 0 | 0 | 118 | | |
| 217 | G | 30.5 | Very low | 31.1 | Very low | 70 Ų | 70 | 146.1 Ų | 146.1 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | cis | 130.9 | -167.3 | -9.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 218 | R | 31.7 | Very low | 31.1 | Very low | 195 Ų | 195 | 152.8 Ų | 152.8 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | 77.3 | 154 | 171 | -49.3 | 175.2 | -175 | -139.1 | -2.1 | 116.2 | | |
| 219 | R | 32.8 | Very low | 30.8 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | | | cis | -170.2 | 138 | -22.7 | -102.7 | 175.1 | -173.3 | -171.8 | 0.8 | 108.5 | | |
| 220 | H | 30.3 | Very low | 31 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 58% | 0.579 | 77% | 0.773 | S | S | * | * | | | | 147.2 | 120.5 | 123.8 | -88.3 | -67.8 | 0 | 0 | 0 | 115.9 | | |
| 221 | R | 30.2 | Very low | 31.3 | Very low | 217 Ų | 217 | 151.8 Ų | 151.8 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | | | trans | 55.3 | 132.9 | 141.6 | -62 | 169.1 | 179.5 | 147.6 | -4.7 | 117.6 | | |
| 222 | S | 31.2 | Very low | 31.6 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | | | cis | -134.6 | 178.9 | 40.9 | -69.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 223 | R | 34.5 | Very low | 31.8 | Very low | 242 Ų | 242 | 152 Ų | 152 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | | | trans | -101 | 133.3 | -172.4 | -68.3 | 172.2 | 163.7 | -178.9 | -7 | 112.8 | | |
| 224 | T | 33.9 | Very low | 32 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | | | | -168 | 148.1 | 122.6 | 26.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 225 | A | 32.4 | Very low | 31.9 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | | | trans | -9.9 | 125.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 226 | G | 29.7 | Very low | 32.3 | Very low | 64 Ų | 64 | 143.9 Ų | 143.9 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | | | trans | -96.5 | 179.2 | 137.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 227 | W | 33.5 | Very low | 32.3 | Very low | 231 Ų | 231 | 146.4 Ų | 146.4 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | | | cis | -149.9 | 175.8 | 4.5 | -84.1 | -29.9 | 0 | 0 | 0 | 106.5 | | |
| 228 | W | 33.8 | Very low | 32.3 | Very low | 241 Ų | 241 | 148.5 Ų | 148.5 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | | | cis | -145.9 | 145 | 33.6 | -77.8 | 63 | 0 | 0 | 0 | 113.8 | | |
| 229 | S | 27.6 | Very low | 32.4 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | -173.5 | 136.7 | 159.6 | -177.3 | 0 | 0 | 0 | 0 | 104.6 | | |
| 230 | S | 32.9 | Very low | 32.2 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | cis | -153 | 167.2 | 4 | -107.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 231 | D | 37.2 | Very low | 32.3 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | 65.1 | 167.7 | 148.5 | -79 | -69.2 | 0 | 0 | 0 | 122.9 | | |
| 232 | D | 37.1 | Very low | 32.2 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | 74.5 | 93.1 | 164.3 | -88.4 | -58 | 0 | 0 | 0 | 121.2 | | |
| 233 | N | 31.3 | Very low | 32.1 | Very low | 131 Ų | 131 | 138 Ų | 138 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | | 88.9 | 150.7 | 112.1 | -115.4 | -50.1 | 0 | 0 | 0 | 122.8 | | |
| 234 | L | 34.7 | Very low | 31.9 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | trans | 59.2 | 100.6 | 164.2 | -57.2 | -176.9 | 0 | 0 | 0 | 121.2 | | |
| 235 | D | 28.1 | Very low | 31.5 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | | 55.2 | 122.1 | 103.7 | -129.9 | -25.9 | 0 | 0 | 0 | 122.1 | | |
| 236 | S | 34.8 | Very low | 31.3 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | | | trans | 72.4 | 143.7 | 141 | -75 | 0 | 0 | 0 | 0 | 125.1 | | |
| 237 | D | 30.1 | Very low | 31.2 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | | | trans | 78.3 | 106.9 | 147.3 | -84.9 | -0.6 | 0 | 0 | 0 | 123.9 | | |
| 238 | S | 30.6 | Very low | 30.8 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -135.6 | 78.4 | 133.7 | 67.5 | 0 | 0 | 0 | 0 | 109 | | |
| 239 | S | 33.8 | Very low | 30.5 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 47% | 0.469 | 76% | 0.763 | S | S | . | * | | | | 88.1 | 179.5 | 53.9 | 87.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 240 | F | 28.5 | Very low | 30.9 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | 75.7 | 125 | -174.3 | -53.9 | -79.2 | 0 | 0 | 0 | 116 | | |
| 241 | L | 32.2 | Very low | 30.6 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | cis | -161.7 | 165 | -11.3 | -83 | 179.7 | 0 | 0 | 0 | 107.7 | | |
| 242 | V | 29.4 | Very low | 30.1 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | cis | -169.6 | 146.6 | -33.4 | 75.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 243 | S | 28.9 | Very low | 29.6 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | 56.1 | 144 | 167 | -61.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 244 | G | 28.6 | Very low | 29.4 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | cis | 127.8 | 107.8 | -3.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 245 | G | 27.4 | Very low | 29.1 | Very low | 72 Ų | 72 | 133.7 Ų | 133.7 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | 148.2 | 96.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 246 | R | 27.6 | Very low | 29 | Very low | 242 Ų | 242 | 135 Ų | 135 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | | | trans | 70.2 | 140.1 | 148.4 | -47.2 | -164.9 | -166.5 | -67.3 | 0.2 | 121.4 | | |
| 247 | R | 26.2 | Very low | 28.8 | Very low | 255 Ų | 255 | 136.2 Ų | 136.2 | 96% | 0.962 | 77% | 0.772 | S | S | * | * | | | trans | 18.3 | 116.9 | 149.9 | -68 | -176.4 | 179.3 | -105.6 | -0.7 | 119.3 | | |
| 248 | G | 26.2 | Very low | 28.8 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 176.8 | 107.5 | 151.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 249 | Y | 27 | Very low | 28.8 | Very low | 229 Ų | 229 | 133.8 Ų | 133.8 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | | | trans | -77.9 | 149.1 | 147.3 | -99.9 | -96.3 | 0 | 0 | 0 | 106.5 | | |
| 250 | P | 36.5 | Very low | 28.7 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | | -150 | 173.3 | 57.2 | 42.8 | -23.5 | 0 | 0 | 0 | 118.2 | | |
| 251 | T | 26.5 | Very low | 28.9 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | | | trans | 43.5 | 140.9 | 143.6 | 53.7 | 0 | 0 | 0 | 0 | 123.6 | | |
| 252 | G | 26.6 | Very low | 28.8 | Very low | 70 Ų | 70 | 137.7 Ų | 137.7 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | trans | 123.5 | 128.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 253 | H | 26.5 | Very low | 28.8 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | cis | 53.2 | 121.5 | 32.1 | -102.8 | -106.8 | 0 | 0 | 0 | 112 | | |
| 254 | E | 26.7 | Very low | 28.9 | Very low | 160 Ų | 160 | 139 Ų | 139 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | cis | -152.2 | 178 | 7.4 | -157.9 | 157.8 | -175.2 | 0 | 0 | 111.5 | | |
| 255 | S | 29.5 | Very low | 28.7 | Very low | 98 Ų | 98 | 142 Ų | 142 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | trans | -81.1 | 152.7 | -176.6 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 256 | L | 25.9 | Very low | 28.6 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | -152.7 | 159.3 | 135.1 | -146.5 | 66.7 | 0 | 0 | 0 | 113.6 | | |
| 257 | D | 29.4 | Very low | 28.8 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | | | trans | -63.1 | 141.5 | -171.1 | -59.3 | -78 | 0 | 0 | 0 | 116.7 | | |
| 258 | A | 31.5 | Very low | 29 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 88% | 0.884 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -153.1 | 27.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 259 | A | 29.6 | Very low | 28.9 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -153.2 | 3.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 260 | I | 32.5 | Very low | 28.8 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 63% | 0.631 | 74% | 0.74 | S | S | * | * | | | trans | -140.7 | 116.8 | 179.1 | -56.3 | 179.8 | 0 | 0 | 0 | 105.1 | | |
| 261 | Q | 32.1 | Very low | 28.4 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | | | cis | -151.3 | 125.8 | 27.5 | -126.3 | 160.2 | 80.7 | 0 | 0 | 110.3 | L263 | Q261-L263 HydrophobicContact CG-CD1 3.86Å; Q261-L263 HydrophobicContact CG-CG 4.06Å |
| 262 | E | 30 | Very low | 28.4 | Very low | 201 Ų | 201 | 138.3 Ų | 138.3 | 94% | 0.939 | 74% | 0.742 | S | S | * | * | | | trans | -120.5 | 124 | 137.6 | -99.2 | -146 | 145.8 | 0 | 0 | 107.6 | | |
| 263 | L | 29.9 | Very low | 28.4 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | | | trans | -120.6 | 159.9 | 176.3 | -76.1 | 168.1 | 0 | 0 | 0 | 108.4 | Q261 | Q261-L263 HydrophobicContact CG-CD1 3.86Å; Q261-L263 HydrophobicContact CG-CG 4.06Å |
| 264 | T | 30.5 | Very low | 28.7 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | | | trans | 75.6 | 154.1 | 167.9 | 81.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 265 | M | 25.4 | Very low | 29.4 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | | | cis | -176.4 | 150.5 | -46.4 | -109.8 | -108.4 | -115.3 | 0 | 0 | 108.7 | | |
| 266 | K | 25.5 | Very low | 29.4 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | | | trans | 65.5 | 160.2 | 156.6 | -82.4 | 164.8 | -172.9 | 170.6 | 0 | 115.1 | | |
| 267 | K | 30.4 | Very low | 29.8 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | | | cis | -155.3 | 178.5 | -21.5 | -143.9 | -177.1 | 178.7 | -179.1 | 0 | 107.1 | | |
| 268 | P | 30 | Very low | 30 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | | | | -133.9 | 160.7 | 87.9 | 14.1 | 8 | 0 | 0 | 0 | 116.1 | | |
| 269 | K | 25.8 | Very low | 30.1 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | | | trans | -38.6 | 165.4 | 161.5 | -75.9 | 177.4 | 134.8 | -150.4 | 0 | 115.7 | | |
| 270 | E | 24.3 | Very low | 30.2 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 58% | 0.575 | 76% | 0.758 | S | S | * | * | | | cis | -121.3 | -177.3 | 9.7 | -76.4 | -65.8 | -162.2 | 0 | 0 | 110.7 | | |
| 271 | R | 27 | Very low | 30.7 | Very low | 218 Ų | 218 | 136.2 Ų | 136.2 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | | | cis | -139.4 | -110.3 | 3.1 | -151.1 | 168.5 | -164.6 | -143.8 | -0 | 114.2 | | |
| 272 | S | 27.2 | Very low | 30.9 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | trans | -135.6 | 144.4 | -160.6 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 273 | G | 27.8 | Very low | 30.9 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | | | trans | 136.1 | 93.5 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 274 | G | 31.9 | Very low | 31.1 | Very low | 77 Ų | 77 | 129.8 Ų | 129.8 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | 98.2 | 147 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 275 | P | 42.3 | Very low | 31.1 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 90% | 0.903 | 77% | 0.773 | S | S | * | * | | | trans | -104.9 | 166.8 | 178.3 | 40.4 | -34.1 | 0 | 0 | 0 | 113.6 | | |
| 276 | G | 29.6 | Very low | 31.3 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -177.8 | 133.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 277 | S | 33.1 | Very low | 31.5 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -41.9 | 149.8 | 179.6 | 44.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 278 | A | 33.9 | Very low | 31.6 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | trans | -69.8 | 152.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 279 | E | 33.2 | Very low | 31.8 | Very low | 183 Ų | 183 | 128.6 Ų | 128.6 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | trans | -118.7 | 158.7 | 177.9 | -69.6 | -172.4 | 144.5 | 0 | 0 | 112.3 | | |
| 280 | C | 31.1 | Very low | 32 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | -64.2 | 140.9 | -165.1 | -174.9 | 0 | 0 | 0 | 0 | 115.5 | A282 | C280-A282 PolarHBondContact O-N 3.08Š|
| 281 | M | 43 | Very low | 32.4 | Very low | 193 Ų | 193 | 122.1 Ų | 122.1 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -83.4 | 77.6 | 167.5 | -65.5 | -166 | -57.6 | 0 | 0 | 111.5 | | |
| 282 | A | 36.4 | Very low | 32.9 | Very low | 75 Ų | 75 | 114.3 Ų | 114.3 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | | | trans | -149.9 | 36.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | C280 | C280-A282 PolarHBondContact O-N 3.08Š|
| 283 | C | 31.9 | Very low | 33.4 | Very low | 128 Ų | 128 | 112.8 Ų | 112.8 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | | | trans | -142.4 | 67.9 | -176.8 | -78.7 | 0 | 0 | 0 | 0 | 113 | | |
| 284 | T | 32.5 | Very low | 33.8 | Very low | 138 Ų | 138 | 111.9 Ų | 111.9 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | | | trans | -140.9 | 45.4 | -174.2 | -24.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 285 | T | 30.1 | Very low | 33.9 | Very low | 129 Ų | 129 | 111 Ų | 111 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | -140.9 | 139.3 | 167.3 | -33.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 286 | M | 29.7 | Very low | 33.6 | Very low | 180 Ų | 180 | 112.3 Ų | 112.3 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | | | trans | 68.3 | 130.3 | -176.2 | -44.4 | -65.1 | -90.5 | 0 | 0 | 114.1 | | |
| 287 | A | 31.5 | Very low | 33.7 | Very low | 86 Ų | 86 | 117.1 Ų | 117.1 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | | | cis | -154.2 | 163.8 | -7.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 288 | L | 32.2 | Very low | 33.5 | Very low | 166 Ų | 166 | 115.4 Ų | 115.4 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | | | trans | -129.7 | 109.7 | 169.8 | -76.6 | 175.3 | 0 | 0 | 0 | 110.1 | | |
| 289 | T | 32.7 | Very low | 33.3 | Very low | 141 Ų | 141 | 119.3 Ų | 119.3 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | | | trans | -157.6 | 139.2 | 166.9 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 290 | G | 30.3 | Very low | 33.1 | Very low | 83 Ų | 83 | 120 Ų | 120 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | | | trans | 94.4 | 123.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 291 | G | 34 | Very low | 32.8 | Very low | 50 Ų | 50 | 117.3 Ų | 117.3 | 52% | 0.515 | 75% | 0.745 | S | S | . | * | | | trans | -140.7 | 173.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 292 | E | 36 | Very low | 32.2 | Very low | 55 Ų | 55 | 117 Ų | 117 | 26% | 0.257 | 74% | 0.741 | S | S | . | * | | | trans | 64.4 | 163.5 | 142.5 | -53 | -88.7 | 168.9 | 0 | 0 | 118.8 | S153 H154 S155 L156 E157 | S153-E292 VanDerWaalsContact C-CD 3.46Å; S153-E292 VanDerWaalsContact O-CD 3.29Å; H154-E292 WeakPolarHBondContact CA-OE1 3.43Å; H154-E292 VanDerWaalsContact CA-OE2 3.31Å; H154-E292 WeakPolarHBondContact CA-OE2 3.36Å; H154-E292 PolarHBondContact N-OE1 3.45Å; S155-E292 PolarHBondContact N-OE1 2.85Å; S155-E292 PolarHBondContact N-OE2 3.06Å; L156-E292 PolarHBondContact N-OE1 2.89Å; E157-E292 HydrophobicContact CB-CB 3.79Å; E157-E292 HydrophobicContact CB-CG 3.88Å; E157-E292 VanDerWaalsContact N-CD 3.3Å; E157-E292 PolarHBondContact N-OE2 3.09Å |
| 293 | G | 37.4 | Very low | 31.7 | Very low | 71 Ų | 71 | 117.9 Ų | 117.9 | 73% | 0.732 | 74% | 0.743 | S | S | * | * | | | trans | 111.8 | 58.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 294 | G | 36.9 | Very low | 31.8 | Very low | 61 Ų | 61 | 118.8 Ų | 118.8 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | | | trans | -98.2 | -164.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 295 | G | 34.8 | Very low | 31.6 | Very low | 59 Ų | 59 | 120 Ų | 120 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | | | trans | 168 | 104 | 164.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 296 | H | 34.5 | Very low | 31.6 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | trans | 60.9 | 153.1 | 138.3 | -48.9 | -65.3 | 0 | 0 | 0 | 120.7 | | |
| 297 | H | 33.6 | Very low | 31.6 | Very low | 176 Ų | 176 | 119.8 Ų | 119.8 | 82% | 0.815 | 72% | 0.72 | S | S | * | * | | | cis | -162.4 | 161.6 | -19.9 | -112.1 | -39.8 | 0 | 0 | 0 | 109.3 | | |
| 298 | G | 28.6 | Very low | 31.4 | Very low | 71 Ų | 71 | 121.8 Ų | 121.8 | 73% | 0.732 | 72% | 0.724 | S | S | * | * | | | trans | 139.5 | 107.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 299 | H | 29.1 | Very low | 31.1 | Very low | 183 Ų | 183 | 125.3 Ų | 125.3 | 85% | 0.847 | 73% | 0.725 | S | S | * | * | | | trans | -114.1 | 123.2 | 168.5 | -69.3 | -86.2 | 0 | 0 | 0 | 110.9 | | |
| 300 | H | 27.9 | Very low | 31 | Very low | 197 Ų | 197 | 123.7 Ų | 123.7 | 91% | 0.912 | 72% | 0.72 | S | S | * | * | | | | -167.8 | 141 | 128 | -118 | 56.2 | 0 | 0 | 0 | 115.4 | | |
| 301 | G | 25.3 | Very low | 30.9 | Very low | 55 Ų | 55 | 124.7 Ų | 124.7 | 57% | 0.567 | 72% | 0.72 | S | S | * | * | | | | 72.7 | 81.2 | 115 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 302 | H | 30 | Very low | 30.7 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | | | trans | 51.5 | 108.6 | 131.5 | -71.3 | -75.3 | 0 | 0 | 0 | 121.7 | | |
| 303 | S | 26.8 | Very low | 30.6 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | | 92.1 | 148.7 | 109.5 | -156.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 304 | L | 32.8 | Very low | 30.3 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | trans | 70.7 | 141.7 | 171.3 | -61.2 | 147.7 | 0 | 0 | 0 | 114.4 | | |
| 305 | K | 28.6 | Very low | 29.8 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | | | cis | -152.8 | 136.8 | 18.7 | -129.4 | 150.2 | -174.4 | 174.6 | 0 | 111.1 | | |
| 306 | R | 31.5 | Very low | 29.6 | Very low | 218 Ų | 218 | 146.3 Ų | 146.3 | 82% | 0.823 | 79% | 0.789 | S | S | * | * | | | trans | 49.7 | 145.4 | 141.6 | -68.5 | 177.6 | -179 | -91.5 | -0.5 | 120.6 | | |
| 307 | S | 29 | Very low | 29.2 | Very low | 87 Ų | 87 | 142.3 Ų | 142.3 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | | | cis | 178.4 | -172.3 | -14 | 52.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 308 | T | 26.4 | Very low | 28.9 | Very low | 129 Ų | 129 | 144 Ų | 144 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | 82.4 | 156.3 | 156.5 | 3.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 309 | W | 27.4 | Very low | 29 | Very low | 239 Ų | 239 | 147.3 Ų | 147.3 | 91% | 0.905 | 78% | 0.78 | S | S | * | * | | | trans | -132.2 | 170.8 | -156.4 | -86.4 | 33 | 0 | 0 | 0 | 112.1 | | |
| 310 | S | 30.8 | Very low | 28.9 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | 93.6 | 148.2 | 144.4 | -63.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 311 | A | 28.2 | Very low | 28.7 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | | | trans | 86.6 | 142.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 312 | M | 29.6 | Very low | 29.3 | Very low | 172 Ų | 172 | 148 Ų | 148 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | | | trans | -90.4 | 159.7 | -177.8 | -57.7 | 141.5 | 54.1 | 0 | 0 | 111.4 | | |
| 313 | T | 32.4 | Very low | 29.1 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | | -160.9 | 166.4 | 128.9 | 2.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 314 | V | 31.4 | Very low | 29.2 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | | | trans | -133.7 | 140.9 | -174.7 | 175.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 315 | S | 27.2 | Very low | 28.9 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | trans | 162.2 | 162.1 | 140.5 | -78.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 316 | Q | 29.9 | Very low | 28.8 | Very low | 196 Ų | 196 | 143.8 Ų | 143.8 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | | | trans | 76.1 | 136.1 | 175.9 | -53.8 | -171.8 | 57.8 | 0 | 0 | 115.5 | | |
| 317 | A | 26.4 | Very low | 28.6 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | | | cis | -159 | 173.7 | -15.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 318 | R | 27.8 | Very low | 28.5 | Very low | 211 Ų | 211 | 135.2 Ų | 135.2 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | trans | 21.5 | 131 | 143.7 | -73.8 | 177.1 | 167.8 | -129.4 | 8.2 | 117.3 | | |
| 319 | E | 30.3 | Very low | 28.6 | Very low | 142 Ų | 142 | 139 Ų | 139 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | cis | 157.5 | 168.8 | 48.4 | -111 | 163.3 | -156.5 | 0 | 0 | 105.9 | | |
| 320 | V | 26.5 | Very low | 28.6 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | | | cis | -151.1 | 157.5 | -18.3 | 79.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 321 | Y | 25 | Very low | 28.6 | Very low | 197 Ų | 197 | 135.9 Ų | 135.9 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | -79 | 151.7 | 168.2 | -121.6 | -137.1 | 0 | 0 | 0 | 110.1 | | |
| 322 | P | 36.5 | Very low | 28.7 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | | -137.6 | 116.6 | 105.1 | 34.3 | -22.1 | 0 | 0 | 0 | 113.9 | | |
| 323 | S | 27.4 | Very low | 28.7 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 48% | 0.476 | 75% | 0.751 | S | S | . | * | | | trans | -70.4 | 148.3 | 150.2 | 174.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 324 | T | 27.9 | Very low | 28.4 | Very low | 119 Ų | 119 | 134 Ų | 134 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | | | | -173.8 | 135.7 | 113 | 21.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 325 | R | 27.3 | Very low | 29.4 | Very low | 243 Ų | 243 | 133.2 Ų | 133.2 | 92% | 0.917 | 74% | 0.741 | S | S | * | * | | | trans | 63.3 | 146 | 156 | -61.2 | 172.6 | 178.2 | -166.2 | -1.6 | 117.3 | | |
| 326 | G | 25.1 | Very low | 29.5 | Very low | 72 Ų | 72 | 136 Ų | 136 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | | | cis | 141.2 | 143.5 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 327 | G | 27.4 | Very low | 29.4 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | | | trans | 76 | 154.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 328 | G | 28.4 | Very low | 29.4 | Very low | 53 Ų | 53 | 137.9 Ų | 137.9 | 55% | 0.546 | 75% | 0.747 | S | S | . | * | | | cis | 171 | 150 | -3.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 329 | Y | 28.4 | Very low | 29.3 | Very low | 207 Ų | 207 | 136 Ų | 136 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | | | trans | 40.4 | 132.1 | 142 | 36.2 | -110.1 | 0 | 0 | 0 | 122.4 | | |
| 330 | D | 27.6 | Very low | 29.2 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | | | trans | 82.9 | 109.4 | 134 | -83.4 | -132.3 | 0 | 0 | 0 | 124.1 | | |
| 331 | K | 29 | Very low | 29.1 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | | | | 51.1 | 106.4 | 116.7 | -57.8 | -173.1 | -166.1 | 78.6 | 0 | 119.2 | | |
| 332 | A | 30.8 | Very low | 29.2 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | | | | 46.2 | 134.1 | 121.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 333 | L | 29.5 | Very low | 28.8 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 90% | 0.895 | 74% | 0.737 | S | S | * | * | | | | -166 | 159.3 | 103.1 | -98.5 | 169.8 | 0 | 0 | 0 | 114.1 | | |
| 334 | V | 27.4 | Very low | 28.7 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | trans | -83.5 | 170.5 | -174.6 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 335 | P | 51.5 | Low | 28.7 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | cis | -125.6 | -175.5 | -39.2 | 38.2 | -23.1 | 0 | 0 | 0 | 113.5 | | |
| 336 | L | 28.5 | Very low | 28.8 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | | | | -163.8 | 157.7 | 120.1 | -161 | 55.1 | 0 | 0 | 0 | 111.9 | | |
| 337 | E | 28.1 | Very low | 28.8 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | trans | -80.4 | 150.1 | 169.3 | -56.1 | 179.7 | 101.8 | 0 | 0 | 112.3 | | |
| 338 | N | 26.4 | Very low | 29 | Very low | 158 Ų | 158 | 149 Ų | 149 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | | | | -162 | 171.6 | 116.5 | -125 | -52 | 0 | 0 | 0 | 114.6 | | |
| 339 | K | 26.9 | Very low | 28.8 | Very low | 172 Ų | 172 | 153.7 Ų | 153.7 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | trans | -99.1 | -179.5 | -176.6 | -57.6 | 173.5 | -177.3 | 169.8 | 0 | 112 | | |
| 340 | L | 27.2 | Very low | 28.6 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | | | trans | 85 | 106.3 | 153.6 | -66.7 | 161.4 | 0 | 0 | 0 | 119.1 | | |
| 341 | K | 25.7 | Very low | 28.6 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | | | | 78.1 | 95.7 | 106.7 | -162.6 | 176.2 | 180 | -176.7 | 0 | 119 | | |
| 342 | E | 26.5 | Very low | 28.6 | Very low | 118 Ų | 118 | 146 Ų | 146 | 55% | 0.551 | 75% | 0.75 | S | S | * | * | | | | 81.4 | 151.4 | 121.5 | -153.8 | -168.4 | 131.1 | 0 | 0 | 119.3 | | |
| 343 | R | 28.7 | Very low | 28.7 | Very low | 211 Ų | 211 | 149.7 Ų | 149.7 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | | | trans | 60.9 | 131.2 | 167.4 | -82.1 | 161.3 | 152.8 | 121.1 | -7.3 | 117.8 | | |
| 344 | S | 24.1 | Very low | 28.8 | Very low | 72 Ų | 72 | 147.3 Ų | 147.3 | 50% | 0.503 | 74% | 0.74 | S | S | . | * | | | cis | 154 | 150.5 | -15.2 | 44.2 | 0 | 0 | 0 | 0 | 108 | | |
| 345 | F | 28.8 | Very low | 28.8 | Very low | 178 Ų | 178 | 152.1 Ų | 152.1 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | | | trans | 78.4 | 128 | 164 | -48.5 | -61.2 | 0 | 0 | 0 | 119.5 | | |
| 346 | H | 28.2 | Very low | 27.6 | Very low | 188 Ų | 188 | 150.2 Ų | 150.2 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | | | | -170.2 | 106.9 | 104.9 | -81.7 | -67.2 | 0 | 0 | 0 | 106.8 | | |
| 347 | Y | 26 | Very low | 27.4 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | | | | 88.1 | 109.7 | 70 | -153.5 | -75.3 | 0 | 0 | 0 | 114.3 | | |
| 348 | L | 31.7 | Very low | 27.4 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | 172.9 | 95.3 | 161.5 | -97.8 | 173.3 | 0 | 0 | 0 | 105.5 | | |
| 349 | Q | 24.6 | Very low | 27.4 | Very low | 150 Ų | 150 | 139 Ų | 139 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | | 92.9 | 102.6 | 63.8 | -174.3 | 165.8 | 6.2 | 0 | 0 | 113.6 | | |
| 350 | V | 24.7 | Very low | 27.4 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -144.7 | 127.4 | 163.9 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 351 | P | 27.4 | Very low | 27.5 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | | | trans | -88.1 | 158.2 | 167.1 | 36.2 | -32.7 | 0 | 0 | 0 | 110.5 | | |
| 352 | S | 28.5 | Very low | 27.6 | Very low | 87 Ų | 87 | 134.7 Ų | 134.7 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | | | cis | -159.8 | 158.3 | 2.5 | -130.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 353 | E | 32.6 | Very low | 27.7 | Very low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | | | trans | 59.5 | 147.6 | 153.5 | -71.1 | 138.7 | -114.6 | 0 | 0 | 118.3 | | |
| 354 | D | 31.8 | Very low | 28 | Very low | 121 Ų | 121 | 129 Ų | 129 | 65% | 0.647 | 78% | 0.775 | S | S | * | * | | | cis | -157 | -170.7 | -9 | -132.4 | -1.7 | 0 | 0 | 0 | 110.4 | | |
| 355 | W | 28.2 | Very low | 28.5 | Very low | 226 Ų | 226 | 133.4 Ų | 133.4 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -13.7 | 149.8 | 171.3 | -43.5 | 90.8 | 0 | 0 | 0 | 119.2 | | |
| 356 | G | 24.8 | Very low | 28.7 | Very low | 71 Ų | 71 | 130.1 Ų | 130.1 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | cis | 116.4 | 134.7 | 27.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 357 | G | 25.8 | Very low | 28.9 | Very low | 84 Ų | 84 | 125 Ų | 125 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | | | trans | 82.1 | 170 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 358 | G | 26.3 | Very low | 29.2 | Very low | 86 Ų | 86 | 119.4 Ų | 119.4 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | cis | 125.3 | 99.4 | -3.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 359 | G | 27.5 | Very low | 29.3 | Very low | 78 Ų | 78 | 121.2 Ų | 121.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 156.4 | 145.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 360 | Y | 27.6 | Very low | 30 | Very low | 240 Ų | 240 | 120.8 Ų | 120.8 | 94% | 0.941 | 80% | 0.797 | S | S | * | * | | | trans | -43.4 | 132.2 | 172.6 | -70.2 | -101.2 | 0 | 0 | 0 | 118.1 | | |
| 361 | G | 28.5 | Very low | 30.6 | Very low | 82 Ų | 82 | 120.4 Ų | 120.4 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | | 89.9 | 154.9 | 116.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 362 | G | 28 | Very low | 31 | Very low | 76 Ų | 76 | 120.7 Ų | 120.7 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | trans | 124.9 | 93.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 363 | S | 29.2 | Very low | 31.4 | Very low | 125 Ų | 125 | 128 Ų | 128 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | | 75.6 | 162.5 | 128.7 | -145.7 | 0 | 0 | 0 | 0 | 122.9 | | |
| 364 | A | 34.7 | Very low | 31.5 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 69% | 0.694 | 82% | 0.816 | S | S | * | * | | | trans | 61.1 | 85.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 365 | D | 34.4 | Very low | 31.3 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | | | | 40.3 | 157.2 | 97.3 | -156.1 | 18.4 | 0 | 0 | 0 | 122 | | |
| 366 | S | 32.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | | | trans | 87.2 | 90.7 | 164.5 | -151.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 367 | G | 33.3 | Very low | 31.8 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | | | | 69.7 | 144.5 | 111.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 368 | G | 31 | Very low | 32.3 | Very low | 76 Ų | 76 | 136.5 Ų | 136.5 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | | | trans | 129.8 | 75.4 | 150 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 369 | E | 34.5 | Very low | 32.7 | Very low | 197 Ų | 197 | 138.6 Ų | 138.6 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | | | trans | 59.4 | 178.7 | 152.3 | -66 | -162.6 | 127.2 | 0 | 0 | 120.9 | | |
| 370 | I | 38 | Very low | 32.7 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 73% | 0.728 | 84% | 0.837 | S | S | * | * | | | trans | -136.1 | 140.8 | -146.3 | -59.1 | 158.3 | 0 | 0 | 0 | 111.1 | | |
| 371 | P | 38.4 | Very low | 33.1 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | | | trans | -134.4 | 126.2 | 131.5 | 33.2 | -21 | 0 | 0 | 0 | 113.2 | R373 | P371-R373 PolarHBondContact O-N 3.24Š|
| 372 | C | 35.6 | Very low | 33.8 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 76% | 0.757 | 82% | 0.823 | S | S | * | * | | | trans | -65.8 | 126.8 | 177.3 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 373 | R | 36.3 | Very low | 34.3 | Very low | 240 Ų | 240 | 145 Ų | 145 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | | | trans | -165.1 | 116.1 | 141.4 | -109 | 151.7 | -167.7 | -163.9 | 3.3 | 116.7 | P371 | P371-R373 PolarHBondContact O-N 3.24Š|
| 374 | R | 35 | Very low | 34.8 | Very low | 213 Ų | 213 | 147.9 Ų | 147.9 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | | 64.9 | 96.6 | 127.1 | -171.1 | 171.3 | -80.3 | -155.3 | -4.8 | 119 | | |
| 375 | M | 27.3 | Very low | 35 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 82% | 0.823 | 82% | 0.821 | S | S | * | * | | | trans | 62.3 | 108.3 | 133.9 | -61.3 | 166.7 | 59.6 | 0 | 0 | 119.7 | | |
| 376 | R | 33.2 | Very low | 35.3 | Very low | 260 Ų | 260 | 147 Ų | 147 | 98% | 0.981 | 82% | 0.82 | S | S | * | * | | | | -153 | 131.7 | 128.9 | -110.7 | 167.7 | -175.8 | 176.7 | 0.7 | 109.9 | | |
| 377 | S | 31.2 | Very low | 35.8 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 88% | 0.881 | 82% | 0.824 | S | S | * | * | | | trans | -121.9 | 122.9 | -179.4 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 378 | G | 35.2 | Very low | 36.1 | Very low | 81 Ų | 81 | 152.9 Ų | 152.9 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | | | trans | 151.7 | 95.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 379 | S | 35.3 | Very low | 36.6 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | | | trans | -58.4 | 156.5 | -173.1 | -42.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 380 | Y | 28.5 | Very low | 36.4 | Very low | 205 Ų | 205 | 150 Ų | 150 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -125.2 | 116.6 | 156.4 | -175 | -96.4 | 0 | 0 | 0 | 111.6 | | |
| 381 | I | 35 | Very low | 36.2 | Very low | 120 Ų | 120 | 151 Ų | 151 | 62% | 0.615 | 83% | 0.826 | S | S | * | * | | | trans | 49.8 | 123.7 | 156.8 | -60.1 | -164.8 | 0 | 0 | 0 | 121.7 | | |
| 382 | K | 43.3 | Very low | 36.5 | Very low | 203 Ų | 203 | 150 Ų | 150 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | | | trans | -57.7 | 125.9 | 158.1 | 162.8 | -170.6 | 176 | 174 | 0 | 113.8 | | |
| 383 | A | 38.1 | Very low | 36.2 | Very low | 81 Ų | 81 | 152.7 Ų | 152.7 | 67% | 0.669 | 82% | 0.824 | S | S | * | * | | | trans | -159.2 | 128.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 384 | M | 39.8 | Very low | 35.9 | Very low | 187 Ų | 187 | 146.9 Ų | 146.9 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | | | trans | 67 | 147.5 | 169.8 | -42.1 | -51.5 | -78.4 | 0 | 0 | 117.7 | | |
| 385 | G | 38.4 | Very low | 36 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | | | trans | 78.5 | 121.6 | -164.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 386 | D | 41.7 | Very low | 37.3 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | cis | 70.9 | 149.8 | 12.1 | -138.1 | -2.7 | 0 | 0 | 0 | 116.2 | | |
| 387 | D | 41.8 | Very low | 37 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | 68 | 145.3 | -166.4 | -88.1 | -71.1 | 0 | 0 | 0 | 118.3 | | |
| 388 | D | 40 | Very low | 36.9 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | -75.4 | 171.3 | -156.2 | -106.1 | -70.2 | 0 | 0 | 0 | 119.1 | | |
| 389 | S | 41.4 | Very low | 36.4 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | 75.7 | 111.1 | 150.4 | -159.5 | 0 | 0 | 0 | 0 | 121 | | |
| 390 | A | 31.1 | Very low | 36.1 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -157.6 | 152.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 391 | D | 33.8 | Very low | 36.3 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | -74.4 | 175.1 | -178 | -89.9 | -70.6 | 0 | 0 | 0 | 115.4 | | |
| 392 | S | 44.2 | Very low | 36 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | trans | -71.3 | 147.4 | 174.9 | -60 | 0 | 0 | 0 | 0 | 112.9 | | |
| 393 | E | 30.2 | Very low | 35.4 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | | 174.7 | 153.1 | 126.2 | -95.3 | -78.5 | 75.8 | 0 | 0 | 114.1 | | |
| 394 | T | 30.1 | Very low | 35.1 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | | | trans | 34.8 | 124.1 | 157.2 | 57.7 | 0 | 0 | 0 | 0 | 124.6 | | |
| 395 | S | 36.7 | Very low | 34.6 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -66.4 | 162.8 | 148.8 | -160.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 396 | P | 53.3 | Low | 34.4 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | cis | -153.1 | 165.7 | 29.3 | 42.7 | -21.8 | 0 | 0 | 0 | 120.4 | | |
| 397 | K | 27.7 | Very low | 33.8 | Very low | 208 Ų | 208 | 133.1 Ų | 133.1 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | | | trans | -169 | 124.6 | 132.8 | -110.4 | 159 | -173.3 | 168.3 | 0 | 116.8 | | |
| 398 | A | 29.9 | Very low | 33.2 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | 46.3 | 92.6 | 144 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 399 | S | 25 | Very low | 32.6 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | | 53.3 | 118.4 | 120.7 | -172 | 0 | 0 | 0 | 0 | 121.7 | | |
| 400 | P | 28.7 | Very low | 31.8 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -81.8 | 143.7 | 148.9 | 33.9 | -30.9 | 0 | 0 | 0 | 111.3 | | |
| 401 | K | 31.1 | Very low | 31.7 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | trans | -109.7 | 151.3 | 163.2 | -78.5 | -174.1 | 178.4 | 179.5 | 0 | 109.6 | | |
| 402 | S | 29.2 | Very low | 31.5 | Very low | 85 Ų | 85 | 140 Ų | 140 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | | | cis | 158.6 | 118.6 | -34.8 | 51.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 403 | T | 30.2 | Very low | 30.8 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | trans | -169.8 | 137.8 | 160.8 | 36 | 0 | 0 | 0 | 0 | 108.7 | | |
| 404 | L | 31.9 | Very low | 30.6 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | | | cis | -136.3 | 132.8 | -20.8 | -82.3 | 128.9 | 0 | 0 | 0 | 104.7 | | |
| 405 | I | 31 | Very low | 30.5 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | | | | 68.1 | 101.4 | 66.9 | -61.8 | 166 | 0 | 0 | 0 | 112.7 | | |
| 406 | A | 34 | Very low | 29.9 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | | | trans | -176.5 | 101.7 | 134.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 407 | Q | 29.1 | Very low | 28.6 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 162 | 56.6 | 158.6 | -92.2 | -70.2 | -17.1 | 0 | 0 | 112 | | |
| 408 | R | 28.4 | Very low | 28.5 | Very low | 221 Ų | 221 | 141 Ų | 141 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | | | trans | -159.5 | 129.9 | 161.7 | -85.8 | -172.7 | 70.8 | 106.8 | -4.9 | 108.3 | | |
| 409 | D | 26.7 | Very low | 28.3 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | | | | 174.3 | 117.6 | 116.7 | -90 | -17.8 | 0 | 0 | 0 | 113.9 | | |
| 410 | A | 26.3 | Very low | 28.4 | Very low | 94 Ų | 94 | 146.1 Ų | 146.1 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | | | trans | -178.1 | 119.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 103.4 | | |
| 411 | F | 28.6 | Very low | 28.5 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 77% | 0.768 | 74% | 0.737 | S | S | * | * | | | cis | -164.2 | 164.6 | 46.7 | -132.2 | -156.2 | 0 | 0 | 0 | 106.3 | | |
| 412 | R | 29.6 | Very low | 28.4 | Very low | 191 Ų | 191 | 147 Ų | 147 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | | | cis | -163.7 | -178.6 | 1.7 | -154.1 | -150.6 | -72.4 | -153.2 | 1.2 | 108.2 | | |
| 413 | R | 28.9 | Very low | 28.5 | Very low | 219 Ų | 219 | 151.1 Ų | 151.1 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | | | trans | 85.2 | 136.7 | 169.9 | -47.6 | 177.4 | -147.3 | -112.1 | 6.8 | 113.6 | | |
| 414 | S | 26.5 | Very low | 28.5 | Very low | 104 Ų | 104 | 150.6 Ų | 150.6 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | cis | -165.7 | 164.5 | -11 | 38.3 | 0 | 0 | 0 | 0 | 111 | | |
| 415 | I | 26.7 | Very low | 28.5 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | | | trans | -9.9 | 142.5 | 160.9 | 34.9 | 167.6 | 0 | 0 | 0 | 117.6 | | |
| 416 | S | 25.9 | Very low | 28.7 | Very low | 92 Ų | 92 | 150.2 Ų | 150.2 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | | | cis | -162.3 | 165.4 | 15.3 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 417 | M | 25.5 | Very low | 28.5 | Very low | 151 Ų | 151 | 152.7 Ų | 152.7 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | | | | 175.2 | 107.9 | 121.8 | -90.6 | -84.5 | 76.5 | 0 | 0 | 115 | | |
| 418 | D | 26.3 | Very low | 28.5 | Very low | 108 Ų | 108 | 153.5 Ų | 153.5 | 58% | 0.578 | 73% | 0.734 | S | S | * | * | | | | 107.5 | 137 | 117.5 | -121.8 | -11.6 | 0 | 0 | 0 | 124.9 | | |
| 419 | Q | 25.5 | Very low | 28.5 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | | | trans | 38 | 110.9 | 154.3 | -82.3 | 159.6 | 70.7 | 0 | 0 | 122.8 | | |
| 420 | R | 26.8 | Very low | 28.7 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 54% | 0.543 | 73% | 0.729 | S | S | . | * | | | | -154 | 114.8 | 111 | -107.1 | -179.8 | -159.7 | -112.3 | 3.6 | 112.7 | T566 Q567 | R420-T566 PolarHBondContact NH1-O 2.89Å; R420-T566 PolarHBondContact NH2-O 2.97Å; R420-Q567 VanDerWaalsContact NH1-CD 3.3Å |
| 421 | R | 29.6 | Very low | 28.8 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 60% | 0.6 | 73% | 0.728 | S | S | * | * | | | trans | 56.9 | 126.7 | 160.8 | -51.5 | -162 | -170.3 | -69.3 | -0.4 | 116.7 | S565 | R421-S565 PolarHBondContact NH2-OG 3.38Å; R421-S565 VanDerWaalsContact NH2-OG 3.09Å |
| 422 | Q | 30.7 | Very low | 28.7 | Very low | 178 Ų | 178 | 151.1 Ų | 151.1 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | | | cis | 59.6 | 84.9 | 21 | -163.3 | -162.7 | 21.1 | 0 | 0 | 114.8 | | |
| 423 | K | 31.4 | Very low | 28.6 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 74% | 0.739 | 73% | 0.729 | S | S | * | * | | | | -168.4 | 164.1 | 125.3 | -123 | 176 | 152.4 | -86.8 | 0 | 114.6 | | |
| 424 | D | 29.9 | Very low | 28.7 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | | | trans | 68.3 | 81.9 | 152.3 | -56.8 | -24.5 | 0 | 0 | 0 | 119.8 | | |
| 425 | T | 31.4 | Very low | 28.6 | Very low | 126 Ų | 126 | 143 Ų | 143 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | | | trans | -11.5 | 139.7 | 132.1 | -25.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 426 | L | 34.5 | Very low | 28.5 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | trans | 77 | 160.3 | 148.8 | -133.1 | 77.6 | 0 | 0 | 0 | 119.8 | | |
| 427 | M | 30.8 | Very low | 28.3 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | | | trans | 84.9 | 115.1 | 165.7 | -57 | -66.9 | -82.7 | 0 | 0 | 119 | | |
| 428 | Y | 29.2 | Very low | 29.8 | Very low | 208 Ų | 208 | 144.5 Ų | 144.5 | 82% | 0.816 | 73% | 0.729 | S | S | * | * | | | trans | 17.3 | 133.8 | 138.3 | -61.9 | -92.2 | 0 | 0 | 0 | 118.2 | | |
| 429 | S | 28.1 | Very low | 29.7 | Very low | 95 Ų | 95 | 147.1 Ų | 147.1 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | | | | -165.6 | 120.4 | 64.5 | -173.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 430 | C | 30.8 | Very low | 29.9 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | | | trans | -88.2 | 115.6 | 143.4 | 176.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 431 | K | 28.1 | Very low | 30.1 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | | | trans | -162.4 | 99.4 | 165.7 | -117.1 | 171.8 | -173.5 | 178.8 | 0 | 111.7 | | |
| 432 | Q | 26.8 | Very low | 30.2 | Very low | 195 Ų | 195 | 147.6 Ų | 147.6 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | | | trans | -126.6 | 124.5 | 133.1 | -164.9 | 145.1 | 7.5 | 0 | 0 | 106.8 | | |
| 433 | C | 28.3 | Very low | 30.1 | Very low | 88 Ų | 88 | 143.5 Ų | 143.5 | 60% | 0.595 | 77% | 0.765 | S | S | * | * | | | trans | -81.1 | -177.3 | 175.1 | -48.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 434 | T | 29.1 | Very low | 30.7 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | cis | -158.8 | 179.6 | 24.6 | -9.3 | 0 | 0 | 0 | 0 | 106.4 | | |
| 435 | D | 25.9 | Very low | 30.6 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | cis | -163.4 | -178.2 | 17.5 | -137 | -37.7 | 0 | 0 | 0 | 113.6 | | |
| 436 | S | 23.5 | Very low | 30.5 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | 83.1 | 117.6 | 154.1 | -61.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 437 | Y | 23.1 | Very low | 30.3 | Very low | 226 Ų | 226 | 145 Ų | 145 | 89% | 0.886 | 78% | 0.78 | S | S | * | * | | | trans | -137.9 | 175.2 | 161.1 | -113.3 | -114.9 | 0 | 0 | 0 | 105 | | |
| 438 | P | 55.6 | Low | 30.2 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | | | | -133.4 | -178.9 | -53.2 | 40.7 | -25.2 | 0 | 0 | 0 | 112.3 | | |
| 439 | N | 25.8 | Very low | 30.1 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | | | trans | -161.9 | 161.6 | 136.1 | -142 | -25.8 | 0 | 0 | 0 | 113.3 | | |
| 440 | S | 29.6 | Very low | 30 | Very low | 99 Ų | 99 | 147 Ų | 147 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | trans | -104.8 | 150.6 | -178.9 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 441 | R | 30.2 | Very low | 30.1 | Very low | 235 Ų | 235 | 151.6 Ų | 151.6 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -174 | 145.5 | 132.2 | -102.8 | 159.5 | -150.4 | -123.8 | 3.6 | 114.5 | | |
| 442 | T | 30.8 | Very low | 30.3 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | | | trans | 58.6 | 124 | 151.3 | 51.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 443 | A | 30.1 | Very low | 30.6 | Very low | 91 Ų | 91 | 149.3 Ų | 149.3 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | -75.7 | -176.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 444 | P | 44.1 | Very low | 30.8 | Very low | 113 Ų | 113 | 152.3 Ų | 152.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | cis | -149.3 | -161.6 | 20.4 | 44.5 | -22.3 | 0 | 0 | 0 | 117.5 | | |
| 445 | K | 27.7 | Very low | 31 | Very low | 209 Ų | 209 | 157.9 Ų | 157.9 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | 85.3 | 156.6 | 164.3 | -75.7 | 177.8 | 176.3 | 179.4 | 0 | 117.9 | | |
| 446 | A | 27.7 | Very low | 31.3 | Very low | 94 Ų | 94 | 156 Ų | 156 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | | | trans | -131.3 | 156.6 | -163.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 447 | H | 30.2 | Very low | 31.8 | Very low | 178 Ų | 178 | 159.1 Ų | 159.1 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | | | trans | -153.3 | 153.2 | 134.2 | -137.2 | -66.9 | 0 | 0 | 0 | 111.5 | | |
| 448 | T | 28.7 | Very low | 32.4 | Very low | 119 Ų | 119 | 154.4 Ų | 154.4 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | | | trans | -60.7 | 146.6 | 166.1 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 449 | R | 28.9 | Very low | 31.5 | Very low | 246 Ų | 246 | 154.3 Ų | 154.3 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | | | | 160.4 | 105.6 | 128.6 | -173 | 177.8 | -150.6 | 172.6 | 6.4 | 111.1 | | |
| 450 | S | 25.2 | Very low | 32 | Very low | 126 Ų | 126 | 151.8 Ų | 151.8 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | | | trans | -114.7 | 159.6 | 164.7 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 451 | R | 33.6 | Very low | 32.6 | Very low | 225 Ų | 225 | 154.4 Ų | 154.4 | 85% | 0.849 | 81% | 0.811 | S | S | * | * | | | trans | -143.5 | 127 | -170.2 | -168.7 | -175.1 | -171.7 | -169.8 | 3 | 110.4 | | |
| 452 | S | 31.9 | Very low | 32.9 | Very low | 92 Ų | 92 | 151.3 Ų | 151.3 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | | | trans | 66.1 | 121.5 | 170.9 | -52.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 453 | Y | 31.9 | Very low | 33.4 | Very low | 227 Ų | 227 | 150.6 Ų | 150.6 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | | | | 158.9 | 105.8 | 113 | -96.9 | -76.4 | 0 | 0 | 0 | 112.3 | | |
| 454 | T | 32.6 | Very low | 34 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | | | trans | -145.6 | 143.4 | 152.4 | 41.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 455 | R | 33.5 | Very low | 34 | Very low | 235 Ų | 235 | 148 Ų | 148 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | | | trans | -131.3 | 133.3 | 175.9 | -173.4 | 178.4 | -173 | -101.7 | 5.3 | 108.4 | | |
| 456 | S | 33 | Very low | 34.9 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | trans | -71.6 | 148.4 | -167.5 | -38 | 0 | 0 | 0 | 0 | 114.4 | | |
| 457 | L | 33.4 | Very low | 36 | Very low | 171 Ų | 171 | 141 Ų | 141 | 90% | 0.895 | 73% | 0.734 | S | S | * | * | | | trans | -143.9 | 82.3 | 155.3 | -76.7 | -176.9 | 0 | 0 | 0 | 109.9 | | |
| 458 | T | 36.6 | Very low | 36.9 | Very low | 126 Ų | 126 | 135 Ų | 135 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | | | trans | -140.7 | 82 | 174.4 | 45.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 459 | S | 36.2 | Very low | 38 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | | | trans | -148.3 | -3.2 | 177.5 | -165.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 460 | S | 36.5 | Very low | 39 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -96.4 | -35.3 | -175.3 | -56.9 | 0 | 0 | 0 | 0 | 114 | | |
| 461 | Q | 40.8 | Very low | 40.4 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 72% | 0.715 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.9 | -49 | -178.5 | -73.7 | 165.8 | -43.5 | 0 | 0 | 112 | L463 G464 D465 | Q461-L463 PolarHBondContact O-N 2.99Å; Q461-G464 PolarHBondContact O-N 3.14Å; Q461-D465 PolarHBondContact O-N 3.46Å |
| 462 | K | 38.5 | Very low | 41.4 | Very low | 170 Ų | 170 | 117.2 Ų | 117.2 | 74% | 0.739 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.6 | -8.6 | -173 | -150.2 | -173.2 | 177.9 | -176.1 | 0 | 115.6 | T466 | K462-T466 PolarHBondContact O-OG1 2.63Å |
| 463 | L | 40.2 | Very low | 42.5 | Very low | 120 Ų | 120 | 115.5 Ų | 115.5 | 63% | 0.628 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -92.6 | -30.7 | 171.4 | -138.3 | 88 | 0 | 0 | 0 | 112.3 | Q461 T466 L467 | Q461-L463 PolarHBondContact O-N 2.99Å; L463-T466 PolarHBondContact O-OG1 3.32Å; L463-L467 WeakPolarHBondContact O-CG 3.35Å; L463-L467 PolarHBondContact O-N 3.41Å |
| 464 | G | 42.7 | Very low | 43.4 | Very low | 42 Ų | 42 | 107.6 Ų | 107.6 | 43% | 0.433 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.9 | -51.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q461 T466 L467 N468 | Q461-G464 PolarHBondContact O-N 3.14Å; G464-T466 VanDerWaalsContact C-N 3.29Å; G464-T466 PolarHBondContact O-N 2.73Å; G464-L467 PolarHBondContact O-N 3.31Å; G464-L467 VanDerWaalsContact O-N 3.09Å; G464-N468 WeakPolarHBondContact O-CB 3.36Å; G464-N468 PolarHBondContact O-N 3.4Å |
| 465 | D | 43.8 | Very low | 44.2 | Very low | 107 Ų | 107 | 101.5 Ų | 101.5 | 57% | 0.572 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -55.5 | -42.8 | -178.5 | -51.4 | -41.4 | 0 | 0 | 0 | 112.3 | Q461 H469 | Q461-D465 PolarHBondContact O-N 3.46Å; D465-H469 WeakPolarHBondContact O-CB 3.02Å; D465-H469 PolarHBondContact O-N 3.29Å |
| 466 | T | 46.7 | Very low | 45.1 | Very low | 74 Ų | 74 | 96.5 Ų | 96.5 | 45% | 0.454 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 178.7 | 46.7 | 0 | 0 | 0 | 0 | 113.2 | K462 L463 G464 Q470 | K462-T466 PolarHBondContact O-OG1 2.63Å; L463-T466 PolarHBondContact O-OG1 3.32Å; G464-T466 VanDerWaalsContact C-N 3.29Å; G464-T466 PolarHBondContact O-N 2.73Å; T466-Q470 WeakPolarHBondContact O-CB 3.48Å; T466-Q470 WeakPolarHBondContact O-CG 3.32Å; T466-Q470 PolarHBondContact O-N 2.66Å |
| 467 | L | 50.6 | Low | 46.1 | Very low | 82 Ų | 82 | 94.8 Ų | 94.8 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -76.7 | -35.2 | 178 | -71.8 | 172.4 | 0 | 0 | 0 | 111.6 | L463 G464 Q470 F471 | L463-L467 WeakPolarHBondContact O-CG 3.35Å; L463-L467 PolarHBondContact O-N 3.41Å; G464-L467 PolarHBondContact O-N 3.31Å; G464-L467 VanDerWaalsContact O-N 3.09Å; L467-Q470 PolarHBondContact O-N 2.91Å; L467-F471 WeakPolarHBondContact O-CB 3.42Å; L467-F471 PolarHBondContact O-N 2.8Å |
| 468 | N | 48.8 | Very low | 46.8 | Very low | 53 Ų | 53 | 90.4 Ų | 90.4 | 28% | 0.283 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 175.4 | -148.1 | 14.3 | 0 | 0 | 0 | 110.3 | G464 F471 E472 | G464-N468 WeakPolarHBondContact O-CB 3.36Å; G464-N468 PolarHBondContact O-N 3.4Å; N468-F471 PolarHBondContact O-N 3.36Å; N468-E472 VanDerWaalsContact O-CB 3.31Å; N468-E472 WeakPolarHBondContact O-CB 3.46Å; N468-E472 PolarHBondContact O-N 2.82Å |
| 469 | H | 52.5 | Low | 47.5 | Very low | 123 Ų | 123 | 86.8 Ų | 86.8 | 57% | 0.569 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.9 | -37.2 | 174.5 | -162.7 | -18.4 | 0 | 0 | 0 | 112.5 | D465 T473 | D465-H469 WeakPolarHBondContact O-CB 3.02Å; D465-H469 PolarHBondContact O-N 3.29Å; H469-T473 WeakPolarHBondContact O-CB 3.37Å; H469-T473 PolarHBondContact O-N 3.15Å; H469-T473 PolarHBondContact O-OG1 2.99Å; H469-T473 VanDerWaalsContact O-OG1 3.04Å |
| 470 | Q | 49.7 | Very low | 47.8 | Very low | 128 Ų | 128 | 82.9 Ų | 82.9 | 60% | 0.598 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.5 | -42.2 | 172.1 | -71.1 | -107.1 | -97.7 | 0 | 0 | 111.9 | T466 L467 T473 V474 | T466-Q470 WeakPolarHBondContact O-CB 3.48Å; T466-Q470 WeakPolarHBondContact O-CG 3.32Å; T466-Q470 PolarHBondContact O-N 2.66Å; L467-Q470 PolarHBondContact O-N 2.91Å; Q470-T473 PolarHBondContact O-N 2.87Å; Q470-V474 VanDerWaalsContact O-CG2 3.32Å; Q470-V474 WeakPolarHBondContact O-CG2 3.48Å; Q470-V474 PolarHBondContact O-N 2.82Å |
| 471 | F | 53.8 | Low | 48 | Very low | 18 Ų | 18 | 84 Ų | 84 | 8% | 0.079 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 177.5 | -178.9 | -87 | 0 | 0 | 0 | 112 | L467 N468 V474 C475 Q892 F940 | L467-F471 WeakPolarHBondContact O-CB 3.42Å; L467-F471 PolarHBondContact O-N 2.8Å; N468-F471 PolarHBondContact O-N 3.36Å; F471-V474 PolarHBondContact O-N 2.78Å; F471-C475 WeakPolarHBondContact CE1-SG 3.41Å; F471-C475 WeakPolarHBondContact O-CB 3.42Å; F471-C475 PolarHBondContact O-N 2.75Å; F471-C475 PolarHBondContact O-SG 2.93Å; F471-Q892 HydrophobicContact CD2-CB 4.09Å; F471-Q892 HydrophobicContact CD2-CG 3.98Å; F471-Q892 HydrophobicContact CE2-CB 4.1Å; F471-Q892 HydrophobicContact CE2-CG 4.3Å; F471-F940 AromaticContact CD1-CD2 3.8Å; F471-F940 HydrophobicContact CD1-CD2 3.8Å; F471-F940 AromaticContact CD1-CE2 3.31Å; F471-F940 HydrophobicContact CD1-CE2 3.31Å; F471-F940 AromaticContact CD1-CZ 3.73Å; F471-F940 HydrophobicContact CD1-CZ 3.73Å; F471-F940 HydrophobicContact CE1-CD1 4.43Å; F471-F940 AromaticContact CE1-CD2 3.32Å; F471-F940 HydrophobicContact CE1-CD2 3.32Å; F471-F940 HydrophobicContact CE1-CE1 4.45Å; F471-F940 AromaticContact CE1-CE2 3.38Å; F471-F940 HydrophobicContact CE1-CE2 3.38Å; F471-F940 AromaticContact CE1-CG 3.91Å; F471-F940 HydrophobicContact CE1-CG 3.91Å; F471-F940 AromaticContact CE1-CZ 3.97Å; F471-F940 HydrophobicContact CE1-CZ 3.97Å; F471-F940 HydrophobicContact CG-CE2 4.49Å; F471-F940 HydrophobicContact CZ-CD2 4.28Å |
| 472 | E | 55.3 | Low | 48.3 | Very low | 73 Ų | 73 | 82.5 Ų | 82.5 | 34% | 0.341 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 174.3 | -163.2 | 151 | -119.7 | 0 | 0 | 110.1 | N468 C475 E476 Q944 | N468-E472 VanDerWaalsContact O-CB 3.31Å; N468-E472 WeakPolarHBondContact O-CB 3.46Å; N468-E472 PolarHBondContact O-N 2.82Å; E472-C475 WeakPolarHBondContact O-CB 3.16Å; E472-C475 PolarHBondContact O-N 3.36Å; E472-E476 WeakPolarHBondContact O-CB 3.49Å; E472-E476 WeakPolarHBondContact O-CG 3.45Å; E472-E476 PolarHBondContact O-N 3.21Å; E472-Q944 PolarHBondContact OE1-NE2 2.99Å |
| 473 | T | 56.1 | Low | 48.2 | Very low | 57 Ų | 57 | 82.8 Ų | 82.8 | 35% | 0.35 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 172.7 | -61.1 | 0 | 0 | 0 | 0 | 113.7 | H469 Q470 C475 E476 T477 | H469-T473 WeakPolarHBondContact O-CB 3.37Å; H469-T473 PolarHBondContact O-N 3.15Å; H469-T473 PolarHBondContact O-OG1 2.99Å; H469-T473 VanDerWaalsContact O-OG1 3.04Å; Q470-T473 PolarHBondContact O-N 2.87Å; T473-C475 VanDerWaalsContact C-N 3.34Å; T473-E476 PolarHBondContact O-N 3.03Å; T473-T477 WeakPolarHBondContact O-CG2 3.48Å; T473-T477 PolarHBondContact O-N 3.34Å; T473-T477 PolarHBondContact O-OG1 2.92Å |
| 474 | V | 51.1 | Low | 48.3 | Very low | 61 Ų | 61 | 80.4 Ų | 80.4 | 37% | 0.37 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68 | -34.8 | 174.3 | 167 | 0 | 0 | 0 | 0 | 111.4 | Q470 F471 T477 M478 | Q470-V474 VanDerWaalsContact O-CG2 3.32Å; Q470-V474 WeakPolarHBondContact O-CG2 3.48Å; Q470-V474 PolarHBondContact O-N 2.82Å; F471-V474 PolarHBondContact O-N 2.78Å; V474-T477 PolarHBondContact O-OG1 2.85Å; V474-M478 HydrophobicContact CG1-CE 3.89Å; V474-M478 WeakPolarHBondContact O-CB 3.24Å; V474-M478 WeakPolarHBondContact O-CG 3.49Å; V474-M478 PolarHBondContact O-N 3.45Å |
| 475 | C | 49 | Very low | 48 | Very low | 23 Ų | 23 | 87.2 Ų | 87.2 | 16% | 0.155 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 170.1 | -70.4 | 0 | 0 | 0 | 0 | 111.5 | F471 E472 T473 T477 F479 | F471-C475 WeakPolarHBondContact CE1-SG 3.41Å; F471-C475 WeakPolarHBondContact O-CB 3.42Å; F471-C475 PolarHBondContact O-N 2.75Å; F471-C475 PolarHBondContact O-SG 2.93Å; E472-C475 WeakPolarHBondContact O-CB 3.16Å; E472-C475 PolarHBondContact O-N 3.36Å; T473-C475 VanDerWaalsContact C-N 3.34Å; C475-T477 VanDerWaalsContact C-N 3.35Å; C475-T477 PolarHBondContact O-N 2.94Å; C475-F479 HydrophobicContact CB-CD2 3.9Å; C475-F479 HydrophobicContact CB-CE2 4.14Å; C475-F479 WeakPolarHBondContact O-CA 3.48Å; C475-F479 VanDerWaalsContact O-CB 3.23Å; C475-F479 WeakPolarHBondContact O-CB 3.37Å; C475-F479 WeakPolarHBondContact O-CD2 3.47Å; C475-F479 PolarHBondContact O-N 3.21Å |
| 476 | E | 51 | Low | 47.7 | Very low | 130 Ų | 130 | 86.5 Ų | 86.5 | 61% | 0.607 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.7 | -33.3 | 178.2 | -75.3 | -179.1 | 141.6 | 0 | 0 | 112.6 | E472 T473 G480 | E472-E476 WeakPolarHBondContact O-CB 3.49Å; E472-E476 WeakPolarHBondContact O-CG 3.45Å; E472-E476 PolarHBondContact O-N 3.21Å; T473-E476 PolarHBondContact O-N 3.03Å; E476-G480 WeakPolarHBondContact O-CA 3.46Å; E476-G480 PolarHBondContact O-N 3.48Å |
| 477 | T | 54.3 | Low | 47.5 | Very low | 63 Ų | 63 | 89 Ų | 89 | 39% | 0.387 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.5 | -59 | 171.2 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | T473 V474 C475 F479 G480 E481 | T473-T477 WeakPolarHBondContact O-CG2 3.48Å; T473-T477 PolarHBondContact O-N 3.34Å; T473-T477 PolarHBondContact O-OG1 2.92Å; V474-T477 PolarHBondContact O-OG1 2.85Å; C475-T477 VanDerWaalsContact C-N 3.35Å; C475-T477 PolarHBondContact O-N 2.94Å; T477-F479 VanDerWaalsContact C-N 3.25Å; T477-F479 PolarHBondContact O-N 3.49Å; T477-F479 VanDerWaalsContact O-N 3.16Å; T477-G480 PolarHBondContact O-N 3.34Å; T477-E481 WeakPolarHBondContact O-CB 3.3Å; T477-E481 WeakPolarHBondContact O-CG 3.4Å; T477-E481 PolarHBondContact O-N 3.32Å |
| 478 | M | 49.1 | Very low | 46.9 | Very low | 79 Ų | 79 | 94.3 Ų | 94.3 | 39% | 0.389 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -23 | -174.8 | -66.9 | -141.3 | -134.6 | 0 | 0 | 114.6 | V474 E899 | V474-M478 HydrophobicContact CG1-CE 3.89Å; V474-M478 WeakPolarHBondContact O-CB 3.24Å; V474-M478 WeakPolarHBondContact O-CG 3.49Å; V474-M478 PolarHBondContact O-N 3.45Å; M478-E899 VanDerWaalsContact CE-CD 3.46Å; M478-E899 HydrophobicContact CE-CG 4.38Å; M478-E899 VanDerWaalsContact CE-OE1 3.31Å; M478-E899 WeakPolarHBondContact CE-OE1 3.38Å |
| 479 | F | 50.4 | Low | 46.1 | Very low | 50 Ų | 50 | 96 Ų | 96 | 22% | 0.219 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -110 | -20.8 | 177.4 | -53 | -59.3 | 0 | 0 | 0 | 114.1 | C475 T477 M932 Q937 | C475-F479 HydrophobicContact CB-CD2 3.9Å; C475-F479 HydrophobicContact CB-CE2 4.14Å; C475-F479 WeakPolarHBondContact O-CA 3.48Å; C475-F479 VanDerWaalsContact O-CB 3.23Å; C475-F479 WeakPolarHBondContact O-CB 3.37Å; C475-F479 WeakPolarHBondContact O-CD2 3.47Å; C475-F479 PolarHBondContact O-N 3.21Å; T477-F479 VanDerWaalsContact C-N 3.25Å; T477-F479 PolarHBondContact O-N 3.49Å; T477-F479 VanDerWaalsContact O-N 3.16Å; F479-M932 HydrophobicContact CE1-CB 4.49Å; F479-M932 HydrophobicContact CZ-CB 4.09Å; F479-Q937 HydrophobicContact CD2-CG 4.35Å; F479-Q937 HydrophobicContact CE2-CG 4.23Å |
| 480 | G | 43.5 | Very low | 45.3 | Very low | 25 Ų | 25 | 98.5 Ų | 98.5 | 26% | 0.258 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -82.3 | -28.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E476 T477 V482 E483 S484 | E476-G480 WeakPolarHBondContact O-CA 3.46Å; E476-G480 PolarHBondContact O-N 3.48Å; T477-G480 PolarHBondContact O-N 3.34Å; G480-V482 VanDerWaalsContact C-N 3.26Å; G480-V482 PolarHBondContact O-N 2.8Å; G480-E483 PolarHBondContact O-N 2.83Å; G480-E483 VanDerWaalsContact O-N 3.16Å; G480-S484 WeakPolarHBondContact O-CB 3.48Å; G480-S484 PolarHBondContact O-N 3.15Å; G480-S484 PolarHBondContact O-OG 3.14Å |
| 481 | E | 41.2 | Very low | 44.7 | Very low | 132 Ų | 132 | 99.9 Ų | 99.9 | 62% | 0.617 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.9 | -33.8 | 173.2 | -75.3 | 179.5 | 169.9 | 0 | 0 | 111.8 | T477 E483 S484 Q485 | T477-E481 WeakPolarHBondContact O-CB 3.3Å; T477-E481 WeakPolarHBondContact O-CG 3.4Å; T477-E481 PolarHBondContact O-N 3.32Å; E481-E483 VanDerWaalsContact C-N 3.28Å; E481-E483 PolarHBondContact O-N 2.78Å; E481-S484 PolarHBondContact O-N 2.92Å; E481-S484 VanDerWaalsContact O-N 3.07Å; E481-Q485 PolarHBondContact O-N 2.96Å |
| 482 | V | 45.7 | Very low | 43.8 | Very low | 122 Ų | 122 | 106.7 Ų | 106.7 | 74% | 0.739 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.7 | -28.7 | 174.8 | 167.2 | 0 | 0 | 0 | 0 | 113.1 | G480 | G480-V482 VanDerWaalsContact C-N 3.26Å; G480-V482 PolarHBondContact O-N 2.8Å |
| 483 | E | 37.2 | Very low | 43.1 | Very low | 176 Ų | 176 | 108.4 Ų | 108.4 | 82% | 0.822 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -92.1 | -15.6 | 173.2 | -162 | 162.3 | -147 | 0 | 0 | 112.3 | G480 E481 | G480-E483 PolarHBondContact O-N 2.83Å; G480-E483 VanDerWaalsContact O-N 3.16Å; E481-E483 VanDerWaalsContact C-N 3.28Å; E481-E483 PolarHBondContact O-N 2.78Å |
| 484 | S | 41.3 | Very low | 42.5 | Very low | 70 Ų | 70 | 109.6 Ų | 109.6 | 49% | 0.49 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -92.9 | -19.1 | -179 | -56.5 | 0 | 0 | 0 | 0 | 114.4 | G480 E481 A486 V487 | G480-S484 WeakPolarHBondContact O-CB 3.48Å; G480-S484 PolarHBondContact O-N 3.15Å; G480-S484 PolarHBondContact O-OG 3.14Å; E481-S484 PolarHBondContact O-N 2.92Å; E481-S484 VanDerWaalsContact O-N 3.07Å; S484-A486 PolarHBondContact O-N 2.71Å; S484-V487 PolarHBondContact O-N 3.23Å |
| 485 | Q | 36 | Very low | 41.9 | Very low | 185 Ų | 185 | 112.1 Ų | 112.1 | 86% | 0.864 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 33.8 | -179 | -153 | 176.7 | 44.9 | 0 | 0 | 114.6 | E481 | E481-Q485 PolarHBondContact O-N 2.96Š|
| 486 | A | 38.1 | Very low | 41 | Very low | 93 Ų | 93 | 120.6 Ų | 120.6 | 77% | 0.769 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 0.2 | 170 | 0 | 0 | 0 | 0 | 0 | 113.1 | S484 | S484-A486 PolarHBondContact O-N 2.71Š|
| 487 | V | 42.4 | Very low | 40.4 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 76% | 0.758 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -119.8 | -5 | -170.4 | -159.5 | 0 | 0 | 0 | 0 | 113.9 | S484 | S484-V487 PolarHBondContact O-N 3.23Š|
| 488 | E | 39.1 | Very low | 39.8 | Very low | 194 Ų | 194 | 128.8 Ų | 128.8 | 91% | 0.907 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -113.3 | 53.4 | -178.4 | -158.3 | 173.6 | -162.4 | 0 | 0 | 113 | | |
| 489 | A | 32.4 | Very low | 39.5 | Very low | 89 Ų | 89 | 135.1 Ų | 135.1 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -136.2 | 8.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 490 | L | 34.7 | Very low | 38.6 | Very low | 175 Ų | 175 | 138 Ų | 138 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | | | trans | -147.2 | 93.6 | 174.5 | -73.8 | 179.1 | 0 | 0 | 0 | 111.2 | | |
| 491 | D | 36.6 | Very low | 39 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | -124.9 | 117.8 | 159.3 | -170.3 | 18.6 | 0 | 0 | 0 | 110.3 | | |
| 492 | L | 36 | Very low | 39.1 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | trans | -149.3 | 151.1 | 175 | -87.3 | -178 | 0 | 0 | 0 | 108.6 | | |
| 493 | P | 39 | Very low | 38.9 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | trans | -80.7 | 146.5 | -135.1 | 27.8 | -37.3 | 0 | 0 | 0 | 116.2 | V495 | P493-V495 PolarHBondContact O-N 3.19Š|
| 494 | G | 44.1 | Very low | 39.5 | Very low | 83 Ų | 83 | 138.8 Ų | 138.8 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | | | trans | -72.2 | 107.6 | -176 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 495 | V | 38.8 | Very low | 39.9 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | trans | -139 | 121.6 | 153 | -148.4 | 0 | 0 | 0 | 0 | 104.8 | P493 | P493-V495 PolarHBondContact O-N 3.19Š|
| 496 | F | 29.1 | Very low | 40.7 | Very low | 200 Ų | 200 | 137.4 Ų | 137.4 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | | | | -150.4 | 164.6 | 60.6 | -103 | -90.2 | 0 | 0 | 0 | 115 | | |
| 497 | R | 38.6 | Very low | 41.3 | Very low | 238 Ų | 238 | 139.2 Ų | 139.2 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | | | trans | -84.2 | 163.9 | 176.9 | -73.6 | 179 | 165 | -162.4 | -4.7 | 113.4 | | |
| 498 | T | 43.4 | Very low | 41.5 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | trans | -59.5 | 160.6 | -178.2 | 57.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 499 | R | 40.8 | Very low | 41.5 | Very low | 213 Ų | 213 | 136 Ų | 136 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | trans | 85.1 | 124.4 | 159.2 | -64.8 | -176.3 | 168 | -140.6 | -1.3 | 118.5 | | |
| 500 | S | 32.8 | Very low | 41.7 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | | | | -122.5 | 158.9 | 127.8 | 75.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 501 | H | 51.9 | Low | 41.8 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 50% | 0.495 | 73% | 0.728 | S | S | . | * | | | trans | -121.8 | 50.2 | -155.4 | -172.2 | 42.7 | 0 | 0 | 0 | 112.8 | R505 | H501-R505 PolarHBondContact CD2-NH2 3.04Å; H501-R505 VanDerWaalsContact CD2-NH2 3.3Å; H501-R505 PolarHBondContact O-NE 2.91Å; H501-R505 PolarHBondContact O-NH2 3.25Å |
| 502 | S | 43.1 | Very low | 41.9 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 57% | 0.566 | 72% | 0.72 | S | S | * | * | | | trans | -103.2 | -53.4 | -175.4 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | V504 R505 | S502-V504 VanDerWaalsContact C-N 3.32Å; S502-V504 PolarHBondContact O-N 3Å; S502-V504 VanDerWaalsContact O-N 3.15Å; S502-R505 PolarHBondContact O-N 3.04Å; S502-R505 VanDerWaalsContact O-N 3.08Å |
| 503 | Y | 42.4 | Very low | 41.9 | Very low | 188 Ų | 188 | 128.5 Ų | 128.5 | 74% | 0.737 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -54 | -40.4 | -167.7 | -170.5 | -108.7 | 0 | 0 | 0 | 114.7 | R505 A506 | Y503-R505 VanDerWaalsContact C-N 3.32Å; Y503-R505 PolarHBondContact O-N 3.15Å; Y503-A506 PolarHBondContact O-N 3.06Å |
| 504 | V | 48.9 | Very low | 41.5 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 58% | 0.576 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -67.2 | -29.7 | -177.1 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | S502 | S502-V504 VanDerWaalsContact C-N 3.32Å; S502-V504 PolarHBondContact O-N 3Å; S502-V504 VanDerWaalsContact O-N 3.15Å |
| 505 | R | 50.7 | Low | 41 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 55% | 0.551 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -79.4 | -22.5 | -179.8 | -80.4 | -177.6 | -78.9 | -149.5 | 0.5 | 113.5 | H501 S502 Y503 I507 Q508 A509 | H501-R505 PolarHBondContact CD2-NH2 3.04Å; H501-R505 VanDerWaalsContact CD2-NH2 3.3Å; H501-R505 PolarHBondContact O-NE 2.91Å; H501-R505 PolarHBondContact O-NH2 3.25Å; S502-R505 PolarHBondContact O-N 3.04Å; S502-R505 VanDerWaalsContact O-N 3.08Å; Y503-R505 VanDerWaalsContact C-N 3.32Å; Y503-R505 PolarHBondContact O-N 3.15Å; R505-I507 PolarHBondContact O-N 3.43Å; R505-I507 VanDerWaalsContact O-N 3.14Å; R505-Q508 PolarHBondContact O-N 3.27Å; R505-Q508 VanDerWaalsContact O-N 3.16Å; R505-A509 PolarHBondContact O-N 3.46Å |
| 506 | A | 51.3 | Low | 40.8 | Very low | 80 Ų | 80 | 134.9 Ų | 134.9 | 66% | 0.661 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -65.7 | -12.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y503 | Y503-A506 PolarHBondContact O-N 3.06Š|
| 507 | I | 50.5 | Low | 40.9 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 67% | 0.672 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -96.7 | -11.8 | 179.2 | -55.4 | 177.4 | 0 | 0 | 0 | 111.6 | R505 | R505-I507 PolarHBondContact O-N 3.43Å; R505-I507 VanDerWaalsContact O-N 3.14Å |
| 508 | Q | 46.5 | Very low | 40.6 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | -1.4 | -173.1 | -72.2 | -174.2 | -40.9 | 0 | 0 | 115 | R505 | R505-Q508 PolarHBondContact O-N 3.27Å; R505-Q508 VanDerWaalsContact O-N 3.16Å |
| 509 | A | 39.8 | Very low | 39.9 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 69% | 0.694 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -130 | 62.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R505 | R505-A509 PolarHBondContact O-N 3.46Š|
| 510 | G | 36.6 | Very low | 39.6 | Very low | 62 Ų | 62 | 121.3 Ų | 121.3 | 64% | 0.639 | 70% | 0.701 | S | S | * | * | | | trans | 93.4 | 159 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 511 | C | 36.5 | Very low | 39.3 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 85% | 0.845 | 71% | 0.705 | S | S | * | * | | | cis | -153.5 | 171.6 | -2.9 | -114.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 512 | S | 38.7 | Very low | 38.1 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | | | trans | -39.9 | 169 | 155.7 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 513 | Q | 35.7 | Very low | 37.5 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 66% | 0.659 | 73% | 0.725 | S | S | * | * | | | cis | -165.5 | 144.1 | 26.7 | -166.1 | 172.7 | -5 | 0 | 0 | 110.2 | D515 | Q513-D515 WeakPolarHBondContact CG-OD2 3.37Å; Q513-D515 PolarHBondContact NE2-OD2 2.75Å |
| 514 | D | 31.8 | Very low | 36.8 | Very low | 173 Ų | 173 | 124.9 Ų | 124.9 | 93% | 0.925 | 73% | 0.726 | S | S | * | * | | | trans | -162.7 | 96.6 | 160.1 | -90.7 | -43.5 | 0 | 0 | 0 | 107.4 | | |
| 515 | D | 34.2 | Very low | 35.8 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 62% | 0.62 | 73% | 0.734 | S | S | * | * | | | trans | -97 | 165.4 | -172.1 | -73.3 | -67.1 | 0 | 0 | 0 | 113.6 | Q513 | Q513-D515 WeakPolarHBondContact CG-OD2 3.37Å; Q513-D515 PolarHBondContact NE2-OD2 2.75Å |
| 516 | D | 32.6 | Very low | 36.1 | Very low | 150 Ų | 150 | 122.8 Ų | 122.8 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | | | trans | 58.1 | 92.6 | 159.9 | -71.7 | -39.3 | 0 | 0 | 0 | 120.2 | | |
| 517 | C | 32.9 | Very low | 35.2 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | | | | -144.1 | 95.2 | 129.7 | -102 | 0 | 0 | 0 | 0 | 112.9 | | |
| 518 | L | 32.6 | Very low | 34.1 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | 65 | 96.8 | 149.5 | -52.2 | -179.9 | 0 | 0 | 0 | 119 | | |
| 519 | S | 27.3 | Very low | 33.4 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | | 4.5 | 145.8 | 112.4 | -147.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 520 | V | 34.3 | Very low | 33.2 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | | | cis | -154.8 | 165.8 | 46.1 | -153.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 521 | F | 26.8 | Very low | 33 | Very low | 195 Ų | 195 | 132 Ų | 132 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | 91.6 | 88.3 | 161.4 | -69.5 | -65.9 | 0 | 0 | 0 | 119.5 | | |
| 522 | S | 27.7 | Very low | 32.6 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -91.9 | -177.6 | 155.7 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 523 | M | 29.7 | Very low | 32.2 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | trans | 81.9 | 100.1 | 160.2 | -63.2 | -61.1 | -70.2 | 0 | 0 | 121.3 | | |
| 524 | S | 28 | Very low | 32 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | | 70.8 | 142.6 | 121.6 | 71.3 | 0 | 0 | 0 | 0 | 122.8 | | |
| 525 | G | 27.3 | Very low | 32.2 | Very low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | 134.5 | 110.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 526 | P | 58.5 | Low | 32.3 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | trans | -92 | 170.8 | 165.6 | 36.7 | -33.3 | 0 | 0 | 0 | 112.7 | | |
| 527 | Q | 31.3 | Very low | 33.3 | Very low | 201 Ų | 201 | 127.2 Ų | 127.2 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | | | trans | 76 | 146.1 | -172.6 | -51.9 | -171.4 | -17.2 | 0 | 0 | 114.7 | | |
| 528 | G | 28.5 | Very low | 33.2 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | | | cis | 179.3 | -176.8 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 529 | S | 31.5 | Very low | 33.5 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | trans | 18.5 | 130.9 | 160.2 | -145.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 530 | I | 33.9 | Very low | 33.6 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 72% | 0.723 | 80% | 0.803 | S | S | * | * | | | | -170 | 151.8 | 78 | 43.9 | -175.4 | 0 | 0 | 0 | 115.2 | | |
| 531 | K | 33.6 | Very low | 33.4 | Very low | 192 Ų | 192 | 138.5 Ų | 138.5 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | 55 | 91.4 | 145.9 | -68 | 175.2 | 179.1 | 179.3 | 0 | 121.3 | | |
| 532 | G | 28.9 | Very low | 33.9 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | | 50.1 | 136.6 | 111 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 533 | G | 29.5 | Very low | 34.6 | Very low | 76 Ų | 76 | 134.9 Ų | 134.9 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | -176.2 | 35.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 534 | A | 32 | Very low | 35 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | 63.6 | 164.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 535 | V | 34.5 | Very low | 35.8 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | 87.1 | 118.1 | 167.5 | -167.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 536 | F | 36.1 | Very low | 36.5 | Very low | 198 Ų | 198 | 139.1 Ų | 139.1 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | | | trans | -103.9 | 178.9 | 172.8 | -90 | -90.7 | 0 | 0 | 0 | 109.3 | | |
| 537 | P | 53.8 | Low | 35.5 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 68% | 0.675 | 82% | 0.816 | S | S | * | * | | | cis | -140 | -160.2 | 17.6 | 48.2 | -29.5 | 0 | 0 | 0 | 113.8 | | |
| 538 | Y | 30.6 | Very low | 36.2 | Very low | 219 Ų | 219 | 134.6 Ų | 134.6 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | | | cis | -149.3 | 154 | -6 | -135.1 | -63.1 | 0 | 0 | 0 | 108 | | |
| 539 | R | 39.1 | Very low | 36.6 | Very low | 232 Ų | 232 | 141.9 Ų | 141.9 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | | | trans | -90 | 138.4 | 161.9 | -58.8 | -168.8 | -158.8 | -90.1 | 10.3 | 111.5 | | |
| 540 | K | 30.3 | Very low | 36.5 | Very low | 215 Ų | 215 | 143.4 Ų | 143.4 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | | | trans | -165.1 | 159.3 | 137.6 | -121.6 | 170.5 | 176.7 | 176.3 | 0 | 112 | | |
| 541 | G | 30.6 | Very low | 36.4 | Very low | 66 Ų | 66 | 141 Ų | 141 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | | | trans | -114.2 | -163.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 542 | A | 36.6 | Very low | 36.4 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | trans | 73.4 | 120.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 543 | P | 41.6 | Very low | 36.6 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 150.6 | 170.9 | 33.3 | -33.7 | 0 | 0 | 0 | 111.9 | | |
| 544 | P | 39.9 | Very low | 36.7 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 162.9 | 179.2 | 34.2 | -35.7 | 0 | 0 | 0 | 113.9 | | |
| 545 | P | 43.6 | Very low | 36.7 | Very low | 130 Ų | 130 | 148 Ų | 148 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -89 | 173.1 | -172.4 | 36 | -37.6 | 0 | 0 | 0 | 116.1 | | |
| 546 | L | 41.4 | Very low | 36.4 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 151.7 | -172.5 | -58.4 | 168.2 | 0 | 0 | 0 | 115.9 | | |
| 547 | P | 38.7 | Very low | 36.1 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | trans | -106.6 | 155.8 | 153.2 | 36.7 | -29.3 | 0 | 0 | 0 | 113.3 | | |
| 548 | P | 46.2 | Very low | 34.8 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | | | trans | -118.8 | -174.5 | -172.4 | 40.6 | -28.7 | 0 | 0 | 0 | 115.6 | | |
| 549 | R | 36.2 | Very low | 34.9 | Very low | 223 Ų | 223 | 141.9 Ų | 141.9 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | | | trans | 91.3 | 153.1 | 168.6 | -61.5 | -176.4 | 156.4 | 133.3 | -2 | 117 | | |
| 550 | M | 28.6 | Very low | 34.5 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | | | cis | -163.6 | 169.1 | -16.2 | -112.3 | 167.9 | 66.1 | 0 | 0 | 112.5 | | |
| 551 | S | 32.2 | Very low | 34.5 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | | | trans | 67.8 | 121.1 | 143.9 | 60.1 | 0 | 0 | 0 | 0 | 123.1 | | |
| 552 | K | 34.3 | Very low | 34.7 | Very low | 201 Ų | 201 | 134.7 Ų | 134.7 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | | 53.7 | 148.5 | 123.4 | -63.7 | -178.3 | -178.8 | -178.2 | 0 | 120.6 | | |
| 553 | S | 33.6 | Very low | 34.7 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | cis | 167.9 | 134.4 | -29.6 | 49.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 554 | S | 30.5 | Very low | 34.4 | Very low | 128 Ų | 128 | 137 Ų | 137 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | | | trans | -149.9 | 151.5 | 163.7 | 55.9 | 0 | 0 | 0 | 0 | 112 | | |
| 555 | L | 33.3 | Very low | 34.2 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | -112.2 | 151.4 | -175.9 | -93.2 | 157.1 | 0 | 0 | 0 | 110.7 | V557 | L555-V557 HydrophobicContact CD2-CG2 4.08Š|
| 556 | S | 27.1 | Very low | 33.8 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | | | trans | -147.5 | 143 | 154.8 | -171 | 0 | 0 | 0 | 0 | 109.1 | | |
| 557 | V | 30.3 | Very low | 33.4 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 67% | 0.667 | 73% | 0.732 | S | S | * | * | | | trans | -142.4 | 118.9 | -163 | 177.8 | 0 | 0 | 0 | 0 | 112.8 | L555 | L555-V557 HydrophobicContact CD2-CG2 4.08Š|
| 558 | R | 26.8 | Very low | 32.9 | Very low | 221 Ų | 221 | 133.2 Ų | 133.2 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | | | trans | -179.9 | 152.4 | 142.1 | -106.2 | 176.7 | 177.2 | 90.6 | -1 | 109.3 | | |
| 559 | A | 33.2 | Very low | 32.3 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | cis | -134.8 | 148 | -3.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 560 | Q | 30.4 | Very low | 31.7 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | | 39.8 | 129.3 | 92.2 | -46.9 | -178.2 | -96.1 | 0 | 0 | 113.9 | | |
| 561 | S | 28.7 | Very low | 31.8 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | | | cis | -155.3 | 148.3 | 8 | 14 | 0 | 0 | 0 | 0 | 109 | | |
| 562 | S | 35.5 | Very low | 31.6 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | | 63.1 | 142.3 | 70.4 | -36.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 563 | T | 36.5 | Very low | 31.2 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | cis | -156.8 | 171.7 | 3 | -11.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 564 | E | 35 | Very low | 31 | Very low | 145 Ų | 145 | 133 Ų | 133 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | cis | -157.7 | -173.8 | 4.6 | -157 | -172.5 | 92.5 | 0 | 0 | 108.9 | T566 | E564-T566 WeakPolarHBondContact OE1-CB 3.37Å; E564-T566 VanDerWaalsContact OE1-CG2 3.32Å; E564-T566 WeakPolarHBondContact OE1-CG2 3.47Å; E564-T566 PolarHBondContact OE1-OG1 3.46Å |
| 565 | S | 37.1 | Very low | 30.9 | Very low | 75 Ų | 75 | 130.9 Ų | 130.9 | 52% | 0.524 | 75% | 0.753 | S | S | . | * | | | trans | -131.7 | 131.1 | 151.5 | 94.3 | 0 | 0 | 0 | 0 | 110.1 | R421 | R421-S565 PolarHBondContact NH2-OG 3.38Å; R421-S565 VanDerWaalsContact NH2-OG 3.09Å |
| 566 | T | 33.5 | Very low | 30.6 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 60% | 0.595 | 75% | 0.752 | S | S | * | * | | | trans | -141.1 | 167.6 | 168.1 | 12.3 | 0 | 0 | 0 | 0 | 112.1 | R420 E564 | R420-T566 PolarHBondContact NH1-O 2.89Å; R420-T566 PolarHBondContact NH2-O 2.97Å; E564-T566 WeakPolarHBondContact OE1-CB 3.37Å; E564-T566 VanDerWaalsContact OE1-CG2 3.32Å; E564-T566 WeakPolarHBondContact OE1-CG2 3.47Å; E564-T566 PolarHBondContact OE1-OG1 3.46Å |
| 567 | Q | 32.9 | Very low | 30.7 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 56% | 0.556 | 76% | 0.756 | S | S | * | * | | | trans | -148.4 | 125 | 176.7 | -155.2 | 161.4 | -23.2 | 0 | 0 | 104.7 | R420 | R420-Q567 VanDerWaalsContact NH1-CD 3.3Š|
| 568 | D | 28.9 | Very low | 30.8 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 90% | 0.904 | 76% | 0.759 | S | S | * | * | | | trans | -164.4 | 157.4 | 157.5 | -104.7 | -38.8 | 0 | 0 | 0 | 110.3 | | |
| 569 | A | 33.2 | Very low | 31.3 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | trans | -120.4 | 120.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 570 | Y | 25.2 | Very low | 31 | Very low | 236 Ų | 236 | 129.8 Ų | 129.8 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | | | trans | -139.3 | 152.2 | 167.3 | -121.2 | -91.1 | 0 | 0 | 0 | 110.8 | | |
| 571 | F | 29.8 | Very low | 30.9 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | -99.2 | 163.8 | -168.1 | -114.5 | -84.5 | 0 | 0 | 0 | 113 | | |
| 572 | Q | 27.2 | Very low | 30.7 | Very low | 165 Ų | 165 | 127.7 Ų | 127.7 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | | | trans | 73.3 | 113.3 | 157.4 | -71.7 | -174.8 | 15.3 | 0 | 0 | 120.8 | | |
| 573 | S | 26.8 | Very low | 30.4 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | | 86.7 | 145.2 | 121 | 79 | 0 | 0 | 0 | 0 | 120.7 | | |
| 574 | G | 29.1 | Very low | 30.4 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | | | trans | -170.4 | 129.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 575 | G | 27.8 | Very low | 30.2 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | trans | 111.2 | 86.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 576 | Q | 28 | Very low | 29.9 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -78.7 | 139.4 | 167.7 | -62.5 | 177.4 | 10.9 | 0 | 0 | 110.7 | | |
| 577 | M | 28.9 | Very low | 29.5 | Very low | 191 Ų | 191 | 141 Ų | 141 | 94% | 0.941 | 80% | 0.801 | S | S | * | * | | | trans | -135.8 | 141.9 | 135.2 | -81.3 | -60.6 | 167.1 | 0 | 0 | 107.9 | | |
| 578 | A | 31.7 | Very low | 29.2 | Very low | 88 Ų | 88 | 140.1 Ų | 140.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -108.4 | -161.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 579 | P | 38.8 | Very low | 29.1 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | | | | -112.9 | 154.6 | -88.9 | 35.4 | -24 | 0 | 0 | 0 | 112.8 | | |
| 580 | G | 26.9 | Very low | 28.8 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | -140.6 | 98.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 581 | T | 27.4 | Very low | 29.1 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | | | trans | -71.9 | 126 | 179 | 46.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 582 | G | 25.6 | Very low | 29.3 | Very low | 69 Ų | 69 | 133.1 Ų | 133.1 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | | 75 | 122.6 | 117.8 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 583 | R | 29 | Very low | 29.4 | Very low | 246 Ų | 246 | 133.4 Ų | 133.4 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | | | trans | 67.8 | -174.3 | 152.6 | -58.3 | -174.5 | 153.6 | -146.8 | -2 | 114.9 | | |
| 584 | P | 36.6 | Very low | 29.7 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | | -134.8 | 174.5 | -86.1 | 42.4 | -26.3 | 0 | 0 | 0 | 115.6 | | |
| 585 | K | 29 | Very low | 30.2 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | 48.7 | 122.3 | 149.1 | -89.3 | -170.1 | 166.1 | -164.1 | 0 | 120.4 | | |
| 586 | Q | 30.6 | Very low | 30.4 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | trans | 71.5 | 157.1 | 147.7 | -57.4 | 179.3 | -96.1 | 0 | 0 | 114 | | |
| 587 | H | 26.8 | Very low | 30.6 | Very low | 156 Ų | 156 | 134 Ų | 134 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | cis | -141.3 | 164.2 | 25.5 | -76.1 | -108.6 | 0 | 0 | 0 | 113.8 | | |
| 588 | S | 26.5 | Very low | 30.5 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | 67.1 | 143.8 | 149.3 | -77.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 589 | N | 26.6 | Very low | 31.5 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | cis | -143.2 | 138.9 | -1.3 | -86 | -29.7 | 0 | 0 | 0 | 107.6 | | |
| 590 | S | 27.2 | Very low | 30.9 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | | | | 72.3 | 130.2 | 96.1 | -155.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 591 | I | 30.2 | Very low | 31.1 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | 71.7 | 130.3 | 168.7 | -62.6 | 157.1 | 0 | 0 | 0 | 114.7 | | |
| 592 | D | 33.5 | Very low | 31.1 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | | | cis | -134.5 | -177.5 | -0.4 | -141.9 | -54.3 | 0 | 0 | 0 | 112.1 | | |
| 593 | L | 31.1 | Very low | 31.3 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | | | trans | -87.2 | 163.9 | -151 | -66.7 | 162 | 0 | 0 | 0 | 117.4 | | |
| 594 | G | 33.1 | Very low | 31.3 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -172 | 171.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 595 | G | 38.3 | Very low | 30.9 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | | | trans | 83.1 | 115.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 596 | S | 32.9 | Very low | 31 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | | | trans | -155.8 | 160.8 | 144.7 | 72.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 597 | E | 31.5 | Very low | 30.9 | Very low | 193 Ų | 193 | 128.1 Ų | 128.1 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -83.3 | 170.4 | 177.4 | -56.8 | 179.5 | 101.4 | 0 | 0 | 113.3 | | |
| 598 | G | 26.4 | Very low | 31 | Very low | 69 Ų | 69 | 130.6 Ų | 130.6 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | 91.5 | 156.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 599 | P | 52.6 | Low | 31 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | | | trans | -89.1 | 131.4 | -179.3 | 34.1 | -32.7 | 0 | 0 | 0 | 112.5 | | |
| 600 | S | 26.7 | Very low | 30.9 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | | | trans | -152.5 | 142.1 | 152.2 | 64 | 0 | 0 | 0 | 0 | 110.9 | | |
| 601 | G | 31.4 | Very low | 30.7 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | | | trans | -118.2 | 124 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 602 | R | 28.1 | Very low | 30.7 | Very low | 245 Ų | 245 | 132.8 Ų | 132.8 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | | | trans | -165.9 | 108 | 158 | -101 | 152.6 | -171.9 | -138.1 | 0.5 | 106.7 | | |
| 603 | A | 28.2 | Very low | 30.8 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | | | | 70.2 | 102.7 | 66.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 604 | S | 30.6 | Very low | 30.8 | Very low | 124 Ų | 124 | 128 Ų | 128 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | | | trans | -174.4 | 111 | 138.7 | -85.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 605 | R | 28.6 | Very low | 30.6 | Very low | 254 Ų | 254 | 127.8 Ų | 127.8 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -162.8 | 112.3 | 133.3 | -118.3 | -176.1 | -177.4 | -135.9 | -1 | 110.7 | | |
| 606 | G | 30.8 | Very low | 30.3 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | | | trans | 74.8 | 134.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 607 | G | 27.6 | Very low | 30.3 | Very low | 62 Ų | 62 | 135.6 Ų | 135.6 | 64% | 0.639 | 82% | 0.823 | S | S | * | * | | | cis | 69.1 | 125.9 | 4.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 608 | Y | 30 | Very low | 30.3 | Very low | 208 Ų | 208 | 137 Ų | 137 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | | | cis | -151.1 | 124.9 | 21.3 | 36.8 | -97 | 0 | 0 | 0 | 107.9 | | |
| 609 | Y | 25.3 | Very low | 30.4 | Very low | 210 Ų | 210 | 141.3 Ų | 141.3 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | | | | 85.6 | 144.8 | 91.8 | -85 | -71.8 | 0 | 0 | 0 | 116.8 | | |
| 610 | T | 25.4 | Very low | 29.6 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | | | trans | 72.2 | 125.1 | 149.8 | 44.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 611 | S | 22.4 | Very low | 30.1 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | 70.5 | 145.7 | 152.3 | 71.6 | 0 | 0 | 0 | 0 | 118 | | |
| 612 | G | 30 | Very low | 30 | Very low | 80 Ų | 80 | 145.4 Ų | 145.4 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | 160 | -4.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 613 | G | 36.4 | Very low | 30 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | | | trans | -89.4 | 135.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 614 | P | 31.3 | Very low | 30.8 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | | | | -147.7 | -165.1 | 54.5 | 42 | -22.6 | 0 | 0 | 0 | 115.2 | | |
| 615 | G | 28.5 | Very low | 31.4 | Very low | 69 Ų | 69 | 140.1 Ų | 140.1 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | 112.1 | 76.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 616 | R | 32.4 | Very low | 31.5 | Very low | 254 Ų | 254 | 133.8 Ų | 133.8 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | | | | 61.5 | 86 | 83.1 | -70.3 | -170.8 | 172.2 | -104.6 | 0.9 | 116.4 | | |
| 617 | S | 31.3 | Very low | 31.5 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -154.7 | 144 | 146.6 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 618 | R | 31.8 | Very low | 31.4 | Very low | 222 Ų | 222 | 138.6 Ų | 138.6 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | cis | 179.5 | 152.7 | -30.3 | -140.1 | 177.2 | 178.9 | -178.7 | -1.4 | 103.5 | | |
| 619 | Q | 28.2 | Very low | 31.4 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | 71.7 | 116.1 | 171.3 | -61.8 | -179.9 | -79.3 | 0 | 0 | 118.5 | | |
| 620 | H | 35.9 | Very low | 32 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | | | trans | 65.8 | 139.6 | 165.5 | -39.4 | -68.1 | 0 | 0 | 0 | 118.4 | | |
| 621 | S | 37.3 | Very low | 32.2 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | cis | -158.7 | 121 | -28 | -86.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 622 | N | 30.1 | Very low | 32.8 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | trans | 13.2 | 115.9 | 158.7 | -46.5 | -7.1 | 0 | 0 | 0 | 117.5 | | |
| 623 | S | 28.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | cis | 62.7 | 132.6 | 21.7 | -50.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 624 | A | 45.2 | Very low | 32.4 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | cis | -163.6 | 106.3 | -10.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 625 | E | 42.3 | Very low | 32.3 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | | | trans | -140.8 | 147.4 | -170.3 | -71.4 | 151 | 122 | 0 | 0 | 109.2 | L627 | E625-L627 HydrophobicContact CB-CB 4.4Å; E625-L627 HydrophobicContact CG-CG 4.28Å; E625-L627 VanDerWaalsContact OE1-CD1 3.31Å; E625-L627 WeakPolarHBondContact OE1-CD1 3.48Å |
| 626 | S | 32.1 | Very low | 32.5 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | | | cis | 57.4 | 71 | -0.8 | -174.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 627 | L | 29.1 | Very low | 32.5 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | | | trans | -139.4 | 168.9 | 157.4 | -106.8 | -175.4 | 0 | 0 | 0 | 111.3 | E625 | E625-L627 HydrophobicContact CB-CB 4.4Å; E625-L627 HydrophobicContact CG-CG 4.28Å; E625-L627 VanDerWaalsContact OE1-CD1 3.31Å; E625-L627 WeakPolarHBondContact OE1-CD1 3.48Å |
| 628 | D | 26.3 | Very low | 32.7 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 60% | 0.604 | 73% | 0.733 | S | S | * | * | | | trans | -36.9 | 146.4 | 150 | -66.4 | -120.7 | 0 | 0 | 0 | 112.4 | R631 | D628-R631 IonicContact OD1-NH2 3.27Å; D628-R631 PolarHBondContact OD1-NH2 3.06Å |
| 629 | G | 29.4 | Very low | 32.4 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | | | cis | 140 | -165.6 | -1.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R631 | G629-R631 PolarHBondContact O-N 3.48Å; G629-R631 VanDerWaalsContact O-N 3.13Å |
| 630 | V | 38.8 | Very low | 32.6 | Very low | 141 Ų | 141 | 129 Ų | 129 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | | | trans | -76.5 | 96.5 | 165.3 | 177.3 | 0 | 0 | 0 | 0 | 109 | | |
| 631 | R | 29.1 | Very low | 32.2 | Very low | 197 Ų | 197 | 124.6 Ų | 124.6 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | | | trans | -153.6 | 120.8 | 148.2 | -113.2 | 173 | -76.9 | -100.8 | -3 | 108 | D628 G629 | D628-R631 IonicContact OD1-NH2 3.27Å; D628-R631 PolarHBondContact OD1-NH2 3.06Å; G629-R631 PolarHBondContact O-N 3.48Å; G629-R631 VanDerWaalsContact O-N 3.13Å |
| 632 | G | 35.1 | Very low | 32.4 | Very low | 53 Ų | 53 | 123.5 Ų | 123.5 | 55% | 0.546 | 74% | 0.743 | S | S | . | * | | | cis | 81.4 | 147.8 | 13.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 633 | S | 30.7 | Very low | 32.8 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | | | trans | 62.3 | 136.8 | -139.9 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 634 | R | 28.2 | Very low | 32.9 | Very low | 191 Ų | 191 | 120.9 Ų | 120.9 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | | | cis | -137.8 | 142.7 | 17.3 | -148 | 171.1 | 171 | -90.2 | -8.9 | 110 | | |
| 635 | E | 29 | Very low | 32.2 | Very low | 134 Ų | 134 | 123.8 Ų | 123.8 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | | | trans | 67.2 | 151.4 | 163.8 | -68.4 | 155.5 | 152.5 | 0 | 0 | 116 | | |
| 636 | L | 31.3 | Very low | 31.8 | Very low | 144 Ų | 144 | 120 Ų | 120 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | | | cis | -149.8 | 155.3 | -5.5 | -118.4 | 158.9 | 0 | 0 | 0 | 110.2 | | |
| 637 | V | 32.9 | Very low | 31.8 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | -79.6 | 124.1 | 152.8 | 169.4 | 0 | 0 | 0 | 0 | 105.9 | | |
| 638 | P | 36.6 | Very low | 31.9 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | | -137 | 170.9 | 80.5 | 34.8 | -15 | 0 | 0 | 0 | 112.3 | | |
| 639 | Y | 23.6 | Very low | 32.1 | Very low | 223 Ų | 223 | 123.9 Ų | 123.9 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | | | | 51.8 | 143 | 59.3 | -112.8 | -87.1 | 0 | 0 | 0 | 114 | | |
| 640 | G | 33.9 | Very low | 32.2 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | -65.1 | 133.9 | -163 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 641 | G | 26.2 | Very low | 31.9 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | | | trans | -122.1 | 101.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 642 | G | 41.4 | Very low | 31.9 | Very low | 74 Ų | 74 | 125.3 Ų | 125.3 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | | | trans | -76.3 | -176.7 | 143.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 643 | P | 39.1 | Very low | 32 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 92% | 0.922 | 78% | 0.777 | S | S | * | * | | | cis | -119.5 | -173 | 10.5 | 40.5 | -27.1 | 0 | 0 | 0 | 112.6 | | |
| 644 | G | 30.1 | Very low | 32 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | | | trans | 168 | 78.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 645 | V | 31 | Very low | 32.4 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 90% | 0.903 | 78% | 0.776 | S | S | * | * | | | trans | -26.8 | 133.1 | 161.8 | 179.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 646 | G | 33.5 | Very low | 32.5 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | -167.6 | 2.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 647 | V | 32.7 | Very low | 32.7 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | 27.9 | 112.7 | 163.8 | -166.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 648 | R | 30.5 | Very low | 32.7 | Very low | 232 Ų | 232 | 122.8 Ų | 122.8 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | | | | 168.8 | 146.2 | 108.2 | -172.7 | 163.4 | -77.6 | -136.4 | -2 | 114.3 | | |
| 649 | A | 30.8 | Very low | 32.6 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | 76.2 | 142.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 650 | K | 30.8 | Very low | 32.8 | Very low | 176 Ų | 176 | 122.1 Ų | 122.1 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | cis | -159.9 | 142.1 | -18.2 | -111.5 | -171.8 | 176 | -174.2 | 0 | 109 | | |
| 651 | H | 32.8 | Very low | 32.5 | Very low | 154 Ų | 154 | 120.9 Ų | 120.9 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | 28 | 119.9 | 161.8 | -47.4 | -65.7 | 0 | 0 | 0 | 119.8 | | |
| 652 | S | 29.8 | Very low | 34.2 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | | 71.8 | 133.1 | 51.1 | 83.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 653 | C | 36.2 | Very low | 34.4 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | | | trans | -69.3 | 152.8 | 176.2 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 654 | S | 30.8 | Very low | 33.9 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -166.9 | 156.9 | 147.5 | -164.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 655 | A | 37.7 | Very low | 34.5 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | trans | -150.6 | 129.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 656 | D | 30.3 | Very low | 34.4 | Very low | 135 Ų | 135 | 129 Ų | 129 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | trans | -137.3 | 109 | -164 | -127.9 | -44 | 0 | 0 | 0 | 113.4 | | |
| 657 | S | 36.4 | Very low | 34.1 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | trans | 58.7 | 146.2 | 131.1 | -51.4 | 0 | 0 | 0 | 0 | 124.5 | | |
| 658 | L | 31.5 | Very low | 33.8 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | | | trans | 75.1 | 141.2 | 163.1 | -42 | -176.6 | 0 | 0 | 0 | 117 | | |
| 659 | L | 34.9 | Very low | 33.7 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | | | cis | -167.7 | 167.8 | -10.2 | -104.9 | 173.8 | 0 | 0 | 0 | 106.3 | | |
| 660 | E | 28.7 | Very low | 33.5 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | cis | -152.3 | -141.6 | 3.2 | -160.3 | 165.7 | 103.1 | 0 | 0 | 109.5 | | |
| 661 | G | 28 | Very low | 33.3 | Very low | 54 Ų | 54 | 132.2 Ų | 132.2 | 56% | 0.557 | 75% | 0.753 | S | S | * | * | | | trans | -175.4 | -168.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 662 | P | 60.8 | Low | 33.1 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | | | cis | -115.1 | -103 | -3.8 | 33.4 | -11.2 | 0 | 0 | 0 | 112.1 | | |
| 663 | P | 45.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | | | cis | -120.4 | -89.4 | -11.3 | 35.5 | -14 | 0 | 0 | 0 | 116.9 | | |
| 664 | R | 28.8 | Very low | 32.8 | Very low | 228 Ų | 228 | 135.9 Ų | 135.9 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | -162.7 | -179.7 | -167 | -52.1 | -172.5 | -154.9 | -162.9 | 6.8 | 110.4 | | |
| 665 | P | 43 | Very low | 32.7 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | | -135.3 | 180 | -55.1 | 39.2 | -22.5 | 0 | 0 | 0 | 114.8 | | |
| 666 | A | 27.3 | Very low | 32.3 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | 80.6 | 153.3 | 144.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 667 | R | 27.5 | Very low | 32.4 | Very low | 222 Ų | 222 | 132.3 Ų | 132.3 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | 81.8 | 125.4 | 151.9 | -93.2 | -158.6 | 146.2 | 134 | 4.3 | 123.5 | | |
| 668 | D | 26.5 | Very low | 32.3 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 63% | 0.631 | 79% | 0.786 | S | S | * | * | | | | 45.6 | 114.3 | 124.4 | -70.4 | -39.6 | 0 | 0 | 0 | 121.2 | | |
| 669 | R | 28.9 | Very low | 32.3 | Very low | 212 Ų | 212 | 132.6 Ų | 132.6 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | | 84 | 140.2 | 115.1 | -175.4 | -178.4 | 166.4 | 176.3 | -2.3 | 121.1 | | |
| 670 | D | 26.6 | Very low | 32.1 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | 64.4 | 162.8 | 161.8 | -84.6 | -40.8 | 0 | 0 | 0 | 119.1 | | |
| 671 | G | 27 | Very low | 32.2 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | 125.3 | 49.2 | 136.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 672 | R | 28.3 | Very low | 32.2 | Very low | 237 Ų | 237 | 134.6 Ų | 134.6 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | | | trans | 25.1 | 137.3 | 136.3 | -79.5 | -172.3 | 178.2 | -154.8 | 1.5 | 122 | | |
| 673 | V | 30.3 | Very low | 30.8 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | 79.6 | 132.8 | 136.1 | 170.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 674 | G | 29.1 | Very low | 29.9 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | 171.8 | 52.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 675 | G | 30.1 | Very low | 31.1 | Very low | 78 Ų | 78 | 129.2 Ų | 129.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 164.4 | 131.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 676 | G | 28.9 | Very low | 30.5 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | | | trans | -90.5 | -170.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 677 | S | 31.8 | Very low | 30.6 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | cis | -164.5 | 156 | 8.8 | -145.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 678 | L | 33.8 | Very low | 30.9 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | | | trans | 62.9 | 144.3 | 155.2 | -65.7 | 160.1 | 0 | 0 | 0 | 120.4 | | |
| 679 | G | 32.5 | Very low | 31.3 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | 127.6 | 113 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 680 | K | 30.3 | Very low | 31.3 | Very low | 203 Ų | 203 | 127.2 Ų | 127.2 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | | | trans | -137.9 | 149.2 | 172.7 | -78.7 | -173.6 | 176.6 | -179.8 | 0 | 111.6 | | |
| 681 | S | 29.8 | Very low | 31.4 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | 67 | 132.2 | 148.8 | 52.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 682 | S | 29.4 | Very low | 31.5 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | 72.2 | 102.2 | 132.2 | 64.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 683 | S | 30.1 | Very low | 31.6 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | | 70.8 | 142.8 | 115.4 | 73.7 | 0 | 0 | 0 | 0 | 123.9 | | |
| 684 | L | 28.1 | Very low | 31.5 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | 76.4 | 169.5 | 159.2 | -62.3 | 169.2 | 0 | 0 | 0 | 117.1 | | |
| 685 | P | 53.3 | Low | 31.5 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | | | | -143.6 | -171.9 | -56.5 | 42.5 | -26.1 | 0 | 0 | 0 | 116.4 | | |
| 686 | Q | 31.7 | Very low | 31.4 | Very low | 162 Ų | 162 | 127 Ų | 127 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | | | trans | 94.2 | 147.7 | 138.1 | -96.2 | -179.7 | -4.8 | 0 | 0 | 126.1 | | |
| 687 | N | 29.6 | Very low | 31.4 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | | | trans | 75.2 | 102.8 | 152 | -57.4 | -22.4 | 0 | 0 | 0 | 121.2 | | |
| 688 | N | 33.5 | Very low | 31.3 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | cis | 74.4 | 125.2 | 46.8 | -162.4 | 34 | 0 | 0 | 0 | 116.4 | | |
| 689 | M | 34 | Very low | 31.2 | Very low | 144 Ų | 144 | 130 Ų | 130 | 71% | 0.709 | 75% | 0.751 | S | S | * | * | | | trans | 154.3 | 152.1 | 131.6 | -85.1 | -72.2 | -86.3 | 0 | 0 | 118.3 | | |
| 690 | I | 29.2 | Very low | 31.2 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | | | trans | 74.3 | 149.9 | 157.8 | -68 | 152.6 | 0 | 0 | 0 | 119.1 | | |
| 691 | V | 28.7 | Very low | 31.4 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | | | | 171.2 | 130 | -56.8 | 150.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 692 | S | 28.8 | Very low | 31.5 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | 173.7 | 110.3 | 141 | -82.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 693 | K | 30.2 | Very low | 31.7 | Very low | 193 Ų | 193 | 127.5 Ų | 127.5 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | | | trans | -1.2 | 134 | 136.3 | 179.2 | -178.4 | -178.2 | 179.8 | 0 | 120 | | |
| 694 | M | 28.7 | Very low | 32 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 84% | 0.837 | 74% | 0.743 | S | S | * | * | | | | 171.7 | 137.5 | 111.1 | -173.2 | 56.8 | 179.8 | 0 | 0 | 115.3 | | |
| 695 | G | 28.6 | Very low | 32.4 | Very low | 67 Ų | 67 | 134.6 Ų | 134.6 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | | | trans | 88.7 | 132.8 | 137.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 696 | G | 27.9 | Very low | 31.2 | Very low | 77 Ų | 77 | 140.7 Ų | 140.7 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | | | | 108.6 | 56.1 | 119 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 697 | Q | 28.9 | Very low | 31.7 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | | | | 44 | 141.9 | 123.8 | -169.3 | 167.4 | 1.6 | 0 | 0 | 124.3 | | |
| 698 | D | 30 | Very low | 32.1 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | 64.3 | 145.1 | 159.1 | -78.5 | -159.2 | 0 | 0 | 0 | 120.3 | | |
| 699 | D | 32.5 | Very low | 32.2 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 64% | 0.642 | 76% | 0.757 | S | S | * | * | | | cis | -153.9 | -175.4 | -19.8 | -174.3 | 11.8 | 0 | 0 | 0 | 106.6 | R701 | D699-R701 IonicContact OD1-NH2 3.51Å; D699-R701 PolarHBondContact OD1-NH2 2.9Å; D699-R701 IonicContact OD2-NH2 2.71Å |
| 700 | G | 31.6 | Very low | 32 | Very low | 61 Ų | 61 | 142.1 Ų | 142.1 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | | | trans | 132.4 | 9.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 701 | R | 35.8 | Very low | 32 | Very low | 206 Ų | 206 | 139.8 Ų | 139.8 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | | | trans | 51.8 | 141.2 | 151.2 | -118.8 | 164.3 | -68.9 | -129.1 | -7.3 | 122.2 | D699 | D699-R701 IonicContact OD1-NH2 3.51Å; D699-R701 PolarHBondContact OD1-NH2 2.9Å; D699-R701 IonicContact OD2-NH2 2.71Å |
| 702 | A | 31.7 | Very low | 32 | Very low | 90 Ų | 90 | 140.9 Ų | 140.9 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | | | trans | 59.1 | 102.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 703 | A | 32.8 | Very low | 31.9 | Very low | 73 Ų | 73 | 142.9 Ų | 142.9 | 60% | 0.603 | 77% | 0.77 | S | S | * | * | | | cis | 69.2 | 142.1 | 29.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 704 | R | 35.8 | Very low | 31.8 | Very low | 232 Ų | 232 | 140.5 Ų | 140.5 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | | | cis | -161 | 162.7 | -13.6 | -122.8 | -178.5 | -68.4 | -111.2 | 3.2 | 109.3 | | |
| 705 | K | 37.3 | Very low | 31.8 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | -97.8 | 171.2 | 163.3 | -68.9 | -175.7 | -179.8 | 180 | 0 | 110.6 | | |
| 706 | W | 27.4 | Very low | 31.8 | Very low | 227 Ų | 227 | 140.5 Ų | 140.5 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | 100.2 | 161.3 | 158.6 | -61.9 | 105.1 | 0 | 0 | 0 | 119.7 | | |
| 707 | R | 41.9 | Very low | 31.9 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | | | trans | -68.5 | 175.9 | -174.2 | -57.2 | 166.3 | 176.7 | -105.2 | 3 | 111.9 | | |
| 708 | P | 39.5 | Very low | 31.7 | Very low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | | | | -140.5 | 172.5 | 108.1 | 39.4 | -29 | 0 | 0 | 0 | 115 | | |
| 709 | S | 34.6 | Very low | 31.6 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -123.9 | 146.8 | 159.4 | -48.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 710 | I | 30.4 | Very low | 31.5 | Very low | 169 Ų | 169 | 143 Ų | 143 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | -168.2 | 155 | 161 | -107.9 | 154 | 0 | 0 | 0 | 109.1 | | |
| 711 | A | 28.9 | Very low | 31.3 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | | | trans | -132 | 150.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 712 | V | 29 | Very low | 30.7 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 87% | 0.873 | 78% | 0.781 | S | S | * | * | | | trans | -144 | 146.6 | 172.6 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 713 | Q | 26.6 | Very low | 30.7 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | -118.9 | 142.5 | -178.8 | 170.6 | -167.3 | -4.8 | 0 | 0 | 109.9 | D715 | Q713-D715 PolarHBondContact NE2-OD2 3.17Š|
| 714 | V | 26.9 | Very low | 30.6 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | | | trans | -156.4 | 149.7 | 154.5 | 150.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 715 | D | 30.5 | Very low | 30.5 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 65% | 0.652 | 78% | 0.776 | S | S | * | * | | | trans | -109.9 | 165.3 | -174.6 | -76.2 | -77.1 | 0 | 0 | 0 | 114.5 | Q713 | Q713-D715 PolarHBondContact NE2-OD2 3.17Š|
| 716 | S | 28.2 | Very low | 30.2 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | 90.3 | 149 | 150.1 | -63.5 | 0 | 0 | 0 | 0 | 123.7 | | |
| 717 | S | 28.7 | Very low | 30.6 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | trans | 82.2 | 93.7 | 157.3 | -72.3 | 0 | 0 | 0 | 0 | 122.6 | | |
| 718 | E | 26.5 | Very low | 30.3 | Very low | 161 Ų | 161 | 133 Ų | 133 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | | 73.6 | 125 | 111.9 | -72.2 | 166.7 | 115 | 0 | 0 | 123.4 | | |
| 719 | T | 27.4 | Very low | 29.9 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | | | trans | 62.7 | 119.7 | 146.6 | 58.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 720 | L | 29.6 | Very low | 29.8 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | | | | -170 | 145.5 | 113.5 | -99.8 | 170.9 | 0 | 0 | 0 | 110.5 | | |
| 721 | S | 27.1 | Very low | 29.9 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | -91.4 | 149.8 | 168.7 | -54 | 0 | 0 | 0 | 0 | 110 | | |
| 722 | D | 24.6 | Very low | 29.8 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | | -169.5 | 131.6 | 100.6 | -128.1 | -11.3 | 0 | 0 | 0 | 115.9 | | |
| 723 | S | 31.5 | Very low | 29.9 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | | | trans | 35.7 | 150.8 | 134.2 | -54.7 | 0 | 0 | 0 | 0 | 127.3 | | |
| 724 | D | 31.3 | Very low | 30 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | 71.5 | 128 | 146 | -71.7 | -38.9 | 0 | 0 | 0 | 122 | | |
| 725 | T | 33.7 | Very low | 30.1 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | | | | -157.5 | 140.3 | 57.5 | 26.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 726 | E | 30.3 | Very low | 30 | Very low | 186 Ų | 186 | 130.5 Ų | 130.5 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | | | trans | 49.9 | 138 | 139.8 | -52.9 | -165.9 | 121.1 | 0 | 0 | 123.2 | | |
| 727 | G | 35.1 | Very low | 30.1 | Very low | 68 Ų | 68 | 128.2 Ų | 128.2 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | | | trans | -160.4 | -31.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 728 | K | 36.3 | Very low | 30.1 | Very low | 204 Ų | 204 | 130.2 Ų | 130.2 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | | | trans | 71.9 | 124.6 | -178.6 | -50.1 | 150.7 | -173 | 173 | 0 | 113.3 | | |
| 729 | A | 30.3 | Very low | 30.2 | Very low | 90 Ų | 90 | 129 Ų | 129 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | | | cis | 69.7 | 133.6 | 30.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 730 | L | 33.9 | Very low | 30.4 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | | | cis | -147.6 | -150.2 | -4.6 | -115.7 | 167.5 | 0 | 0 | 0 | 108.6 | | |
| 731 | T | 30.9 | Very low | 30.2 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 72% | 0.724 | 73% | 0.732 | S | S | * | * | | | cis | -160.3 | 179.9 | 16.2 | -25.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 732 | E | 28.4 | Very low | 30.3 | Very low | 163 Ų | 163 | 129 Ų | 129 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | | | trans | -59.9 | 177.5 | 175 | -73.2 | -178.4 | 85.5 | 0 | 0 | 119 | | |
| 733 | V | 30.5 | Very low | 30.4 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | | -166.7 | 175.7 | -53.4 | -95.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 734 | H | 28.3 | Very low | 30.2 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | trans | 98.8 | 120.2 | 155 | -67 | 120.6 | 0 | 0 | 0 | 122.4 | | |
| 735 | S | 29.3 | Very low | 30.1 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | trans | 36.4 | 146.8 | 138.5 | 60.8 | 0 | 0 | 0 | 0 | 122 | | |
| 736 | I | 28.7 | Very low | 30.1 | Very low | 109 Ų | 109 | 133 Ų | 133 | 56% | 0.559 | 72% | 0.722 | S | S | * | * | | | | -155.3 | 158 | 61.4 | -77.3 | 165.7 | 0 | 0 | 0 | 110.1 | | |
| 737 | G | 29.5 | Very low | 30.2 | Very low | 68 Ų | 68 | 134.6 Ų | 134.6 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | trans | -111.2 | 162.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 738 | V | 29.5 | Very low | 30 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 83% | 0.83 | 72% | 0.715 | S | S | * | * | | | trans | -123.3 | 128.6 | 174.5 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | V740 | V738-V740 HydrophobicContact CG1-CG2 4.23Š|
| 739 | Q | 28.6 | Very low | 29.8 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | | | trans | -112.1 | 133 | 173 | 160.7 | -176.7 | -22.6 | 0 | 0 | 107.2 | E741 | Q739-E741 HydrophobicContact CG-CG 4.39Å; Q739-E741 VanDerWaalsContact NE2-CD 3.27Å; Q739-E741 PolarHBondContact NE2-OE2 3.38Å |
| 740 | V | 30.7 | Very low | 29.8 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | | | trans | -133.7 | 110.7 | 164.1 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | V738 | V738-V740 HydrophobicContact CG1-CG2 4.23Š|
| 741 | E | 24.9 | Very low | 29.6 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 58% | 0.584 | 70% | 0.702 | S | S | * | * | | | trans | -80.4 | 156 | 171.6 | -70.3 | 148.3 | 106.9 | 0 | 0 | 110.8 | Q739 | Q739-E741 HydrophobicContact CG-CG 4.39Å; Q739-E741 VanDerWaalsContact NE2-CD 3.27Å; Q739-E741 PolarHBondContact NE2-OE2 3.38Å |
| 742 | D | 30.1 | Very low | 29.8 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | | | trans | 62.3 | 162.9 | 146.9 | -77.1 | -40.9 | 0 | 0 | 0 | 118.4 | | |
| 743 | E | 26.9 | Very low | 30 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 64% | 0.64 | 70% | 0.703 | S | S | * | * | | | cis | -159.1 | 170.9 | 29.3 | -151.1 | -160.8 | 31 | 0 | 0 | 113 | | |
| 744 | K | 27.1 | Very low | 30 | Very low | 147 Ų | 147 | 143 Ų | 143 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | | | trans | 49.8 | 115.6 | 149.2 | -87.6 | -172.3 | -167.6 | 87.4 | 0 | 118.5 | | |
| 745 | T | 29.4 | Very low | 30.1 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 60% | 0.595 | 71% | 0.71 | S | S | * | * | | | | -179.6 | 149.9 | 81.5 | 34.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 746 | R | 34.2 | Very low | 30.3 | Very low | 199 Ų | 199 | 141.4 Ų | 141.4 | 75% | 0.751 | 72% | 0.716 | S | S | * | * | | | trans | 71.4 | 142.5 | 146.2 | -77.1 | 175.6 | -86.4 | -149 | -6.2 | 118.4 | | |
| 747 | R | 32.6 | Very low | 30.6 | Very low | 219 Ų | 219 | 141.9 Ų | 141.9 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | | | cis | -164.7 | 146.3 | -16.1 | -130.3 | 176.4 | -158.4 | -175.4 | 4.1 | 112.3 | | |
| 748 | A | 30.8 | Very low | 31 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 60% | 0.603 | 73% | 0.727 | S | S | * | * | | | trans | 62.2 | 124.2 | 139.2 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 749 | R | 32.2 | Very low | 31.1 | Very low | 227 Ų | 227 | 141.7 Ų | 141.7 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | | | | 64.9 | 148.5 | 130 | -61.5 | 175.7 | 177.4 | 160 | -2.4 | 117.8 | | |
| 750 | F | 28.8 | Very low | 31.3 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 69% | 0.693 | 74% | 0.737 | S | S | * | * | | | cis | -162 | 152.3 | 19.9 | -148.1 | -153.9 | 0 | 0 | 0 | 114.6 | | |
| 751 | K | 29.8 | Very low | 31.1 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | | | trans | 56.3 | 109.6 | 146.8 | -82.1 | -171.8 | 179.6 | 176.6 | 0 | 124.1 | | |
| 752 | R | 35.9 | Very low | 31.4 | Very low | 216 Ų | 216 | 143.3 Ų | 143.3 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | | | | 76.3 | 110.7 | 108.7 | -76.9 | -170.3 | 173.3 | -159.8 | -3.9 | 123.6 | | |
| 753 | S | 32.7 | Very low | 31.4 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | | | | 67.8 | 130.1 | 106.2 | -51.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 754 | N | 29.9 | Very low | 31.7 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | | | | -161 | -179.3 | 97.7 | -112.2 | 12.5 | 0 | 0 | 0 | 113.6 | | |
| 755 | S | 31.7 | Very low | 31.6 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | | | trans | -142.9 | 157.8 | -160.8 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 756 | V | 32 | Very low | 32.5 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | -173.5 | 138.4 | 146.6 | 139.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 757 | T | 35.7 | Very low | 32.4 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | cis | 104.1 | 73.3 | 1.1 | 78.4 | 0 | 0 | 0 | 0 | 120 | | |
| 758 | A | 38.4 | Very low | 32.2 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -160.3 | 135.5 | 146.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 759 | S | 31.1 | Very low | 32.1 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | cis | 87.5 | 115.6 | 18.8 | 84.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 760 | V | 32.1 | Very low | 32.9 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | | -176.7 | 159.3 | 128.6 | 146.2 | 0 | 0 | 0 | 0 | 109 | | |
| 761 | Q | 28.1 | Very low | 32.9 | Very low | 182 Ų | 182 | 134 Ų | 134 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -147.1 | 132.3 | -161 | 168 | -171.7 | -17.5 | 0 | 0 | 111.4 | | |
| 762 | A | 30 | Very low | 33.1 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -168.1 | 131.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 763 | D | 29.8 | Very low | 32.7 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | cis | 103.3 | 146.7 | 23.7 | -166 | 29.8 | 0 | 0 | 0 | 113.6 | | |
| 764 | L | 32.8 | Very low | 32.5 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | 84.9 | 109.4 | 173.8 | -51.9 | -179.4 | 0 | 0 | 0 | 121.1 | | |
| 765 | D | 26.5 | Very low | 32.3 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | trans | -58.4 | -176.2 | 147.8 | -65.7 | -63.3 | 0 | 0 | 0 | 112.5 | | |
| 766 | P | 48.4 | Very low | 32.2 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | cis | -149.1 | -166.1 | 21 | 45.2 | -22.2 | 0 | 0 | 0 | 119 | | |
| 767 | E | 32.1 | Very low | 33.2 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | trans | -71.7 | 166.9 | -174.8 | -49.2 | 174.9 | 110.5 | 0 | 0 | 116.4 | | |
| 768 | G | 28.2 | Very low | 32.9 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | | | trans | -160.7 | 97.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 769 | F | 29.1 | Very low | 32.4 | Very low | 185 Ų | 185 | 132.8 Ų | 132.8 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -70.8 | -174.7 | -173.5 | -106.8 | -61.8 | 0 | 0 | 0 | 115.9 | | |
| 770 | P | 48.9 | Very low | 32.1 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | | -118.6 | 178.3 | -129.9 | 44.9 | -30.6 | 0 | 0 | 0 | 116.7 | | |
| 771 | G | 28.4 | Very low | 32.1 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -172.3 | 128.1 | 169 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 772 | L | 33.8 | Very low | 32 | Very low | 173 Ų | 173 | 131 Ų | 131 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | -63.5 | 147 | 178.6 | -64.1 | 148.2 | 0 | 0 | 0 | 115.3 | | |
| 773 | S | 27 | Very low | 32.2 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | | 160.3 | 152 | 113 | 54.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 774 | V | 28.3 | Very low | 32.3 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | trans | -0.6 | 126.5 | 150.5 | -172.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 775 | A | 26.2 | Very low | 32.1 | Very low | 84 Ų | 84 | 136 Ų | 136 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | | | cis | 113.9 | 151.1 | 26.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 776 | V | 29.5 | Very low | 32.1 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | trans | 74.7 | 146.9 | 167.8 | 174.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 777 | P | 52.2 | Low | 31.1 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | cis | -110.9 | -137.1 | -12.1 | 22.6 | 2.9 | 0 | 0 | 0 | 111.9 | | |
| 778 | T | 30.6 | Very low | 30.9 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | | | cis | -162.4 | 149.8 | 3.5 | -17.4 | 0 | 0 | 0 | 0 | 115 | | |
| 779 | Q | 28.2 | Very low | 30.8 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | 51.3 | 118.3 | 141.9 | -86 | 176.5 | 14 | 0 | 0 | 127.7 | | |
| 780 | D | 24.8 | Very low | 30.8 | Very low | 114 Ų | 114 | 131 Ų | 131 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | | | | 77.8 | 105.2 | 121.3 | -106.1 | -109.4 | 0 | 0 | 0 | 127.6 | | |
| 781 | K | 31.8 | Very low | 30 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 73% | 0.726 | 76% | 0.759 | S | S | * | * | | | trans | 26.7 | 120.6 | 130.9 | -47.2 | -175.3 | -152.5 | 74.6 | 0 | 121.9 | | |
| 782 | S | 25.7 | Very low | 30.3 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | | | | 174.6 | 168 | 116.8 | 40.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 783 | L | 33.8 | Very low | 30 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | | | cis | 173.6 | 151.5 | -38.8 | -146.3 | 158.8 | 0 | 0 | 0 | 104.2 | | |
| 784 | Q | 31.8 | Very low | 30 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | | | trans | 81.8 | 142.1 | 173.1 | -51.1 | -175.6 | 35 | 0 | 0 | 116.6 | | |
| 785 | F | 28.9 | Very low | 30.1 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 82% | 0.82 | 75% | 0.748 | S | S | * | * | | | cis | -159.4 | 159.3 | -10.5 | -116.5 | -45.7 | 0 | 0 | 0 | 112.8 | | |
| 786 | G | 25.9 | Very low | 30.7 | Very low | 63 Ų | 63 | 137.5 Ų | 137.5 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | trans | 94.1 | 108.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 787 | C | 27.7 | Very low | 30.5 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 88% | 0.878 | 75% | 0.747 | S | S | * | * | | | | 75 | 138.3 | 66.8 | -73.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 788 | S | 28.1 | Very low | 29.4 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | cis | -171.2 | 146 | 2.4 | 41.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 789 | F | 27.1 | Very low | 29.2 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | | | trans | 66 | 177 | 147.2 | -82.6 | -124.8 | 0 | 0 | 0 | 120.3 | | |
| 790 | Q | 27.9 | Very low | 29.2 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | | | | -176 | 132.9 | -68.4 | 172.7 | 167.6 | -71.4 | 0 | 0 | 112.7 | | |
| 791 | R | 32.5 | Very low | 29.3 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | | | trans | 61.9 | 127.3 | 157.8 | -77.5 | 175 | -161 | -83.9 | 2.5 | 122.5 | | |
| 792 | H | 33.9 | Very low | 29.2 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | | | | 78.1 | 137 | 127.8 | -64 | -18 | 0 | 0 | 0 | 123 | | |
| 793 | S | 27.4 | Very low | 29.3 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | trans | 101.1 | 136.1 | 143.5 | -62.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 794 | S | 28.1 | Very low | 28.9 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | 67.8 | 129.2 | 153.3 | 40.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 795 | E | 30.3 | Very low | 28.7 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -62.6 | 159 | 154.6 | -135.6 | -175.9 | 113.6 | 0 | 0 | 110.8 | | |
| 796 | P | 38.3 | Very low | 28.8 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | | -152.4 | 156.1 | 86.1 | 40.1 | -22.2 | 0 | 0 | 0 | 117.7 | | |
| 797 | E | 25.7 | Very low | 29.1 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | 52.8 | 139.4 | 132.9 | -147.4 | -173.5 | 162 | 0 | 0 | 123.1 | | |
| 798 | S | 28.4 | Very low | 29.5 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | 101.7 | 156.5 | 141.6 | 83.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 799 | A | 26.6 | Very low | 29.6 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | | | trans | 72.8 | 112.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 800 | S | 28.2 | Very low | 29.7 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | | | trans | -77.8 | 172.8 | 164.4 | 59 | 0 | 0 | 0 | 0 | 114.3 | | |
| 801 | Q | 28.2 | Very low | 29.9 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | | | trans | 91.1 | 149.5 | 171.2 | -52 | 162.5 | 37.8 | 0 | 0 | 113.7 | | |
| 802 | Y | 28.3 | Very low | 29.7 | Very low | 204 Ų | 204 | 146.1 Ų | 146.1 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | cis | -149.3 | 158 | 17.9 | -129.4 | -66.7 | 0 | 0 | 0 | 113.1 | | |
| 803 | A | 29.3 | Very low | 29.5 | Very low | 90 Ų | 90 | 142.9 Ų | 142.9 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | trans | 66.1 | 161.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 804 | E | 25.1 | Very low | 29.5 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | cis | -150.4 | 153.4 | 9.6 | 178.9 | 154.9 | -160 | 0 | 0 | 107.6 | | |
| 805 | C | 27.6 | Very low | 29.4 | Very low | 90 Ų | 90 | 152.1 Ų | 152.1 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | | | cis | -149.5 | 162.7 | 13.2 | 39.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 806 | H | 29.6 | Very low | 29.3 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | | | | -172.6 | 151.9 | 117.7 | -106.6 | -81.3 | 0 | 0 | 0 | 111.2 | | |
| 807 | R | 32.2 | Very low | 28.6 | Very low | 236 Ų | 236 | 153.4 Ų | 153.4 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | | | trans | -86.5 | 147.1 | -171.6 | -62 | 170.9 | 172.1 | 162.5 | -4.9 | 113.6 | | |
| 808 | T | 36.3 | Very low | 28.7 | Very low | 145 Ų | 145 | 154.6 Ų | 154.6 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | trans | -152.8 | 151.9 | 130.9 | 8.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 809 | V | 31.5 | Very low | 28.6 | Very low | 136 Ų | 136 | 156.1 Ų | 156.1 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | -54.1 | 153.9 | -167.4 | -72.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 810 | H | 27.7 | Very low | 28.6 | Very low | 181 Ų | 181 | 158.5 Ų | 158.5 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | trans | -67.4 | 153.6 | 159.3 | -82.4 | 9 | 0 | 0 | 0 | 113.1 | | |
| 811 | T | 31.8 | Very low | 28.6 | Very low | 148 Ų | 148 | 160.5 Ų | 160.5 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | | | | -135.4 | 162.2 | 128.8 | 43 | 0 | 0 | 0 | 0 | 110.1 | | |
| 812 | Q | 28.3 | Very low | 28.6 | Very low | 179 Ų | 179 | 160.3 Ų | 160.3 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | -110.3 | 141.5 | -161.7 | -177.3 | -176.8 | 23.2 | 0 | 0 | 112 | | |
| 813 | G | 30.3 | Very low | 28.6 | Very low | 82 Ų | 82 | 158.5 Ų | 158.5 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | -151.2 | 87.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 814 | Q | 28.7 | Very low | 28.4 | Very low | 158 Ų | 158 | 157.8 Ų | 157.8 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | | | trans | -106.8 | 132.7 | 168.3 | -81.1 | -165.8 | -11.8 | 0 | 0 | 110.3 | | |
| 815 | W | 26 | Very low | 28.7 | Very low | 262 Ų | 262 | 154.7 Ų | 154.7 | 99% | 0.992 | 79% | 0.794 | S | S | * | * | | | trans | -140.1 | 109.8 | 141.5 | -77.9 | 107.5 | 0 | 0 | 0 | 107.7 | | |
| 816 | A | 26.5 | Very low | 28.7 | Very low | 77 Ų | 77 | 160.8 Ų | 160.8 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | | | trans | -90.4 | 153 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 817 | Y | 24 | Very low | 28.5 | Very low | 237 Ų | 237 | 157.4 Ų | 157.4 | 93% | 0.929 | 80% | 0.798 | S | S | * | * | | | trans | -122 | 126.7 | 153.6 | -132.1 | -87.6 | 0 | 0 | 0 | 108.8 | | |
| 818 | R | 28 | Very low | 28.2 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | trans | -169.4 | 135.8 | -166.9 | 169.2 | -150.5 | -100.4 | -97.2 | 4.8 | 103.7 | | |
| 819 | E | 25.9 | Very low | 27.6 | Very low | 139 Ų | 139 | 152.8 Ų | 152.8 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | | | cis | -124.3 | 172.7 | -8.2 | -100 | 128.5 | 165.5 | 0 | 0 | 107.4 | | |
| 820 | D | 27.1 | Very low | 27.3 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | trans | -151 | 135.5 | 151.9 | -112.4 | -25.7 | 0 | 0 | 0 | 114.4 | | |
| 821 | L | 27.3 | Very low | 27.1 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | | | trans | 62.1 | 117.3 | 159.6 | -88 | 61.9 | 0 | 0 | 0 | 123.2 | | |
| 822 | I | 29.1 | Very low | 26.7 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | | | trans | 96.9 | 83.2 | 134.2 | -62.7 | 167.8 | 0 | 0 | 0 | 118.2 | | |
| 823 | Q | 27.5 | Very low | 26.5 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | -46 | 147.8 | 143 | -145.3 | 85.6 | 11.9 | 0 | 0 | 113.3 | N825 | Q823-N825 VanDerWaalsContact CG-OD1 3.3Å; Q823-N825 WeakPolarHBondContact CG-OD1 3.39Å |
| 824 | G | 26.2 | Very low | 26.3 | Very low | 75 Ų | 75 | 148 Ų | 148 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | -161.3 | 40.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 825 | N | 30.2 | Very low | 26.1 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | | | trans | -37.2 | 139.8 | -173.2 | -45.2 | -18.9 | 0 | 0 | 0 | 117.2 | Q823 | Q823-N825 VanDerWaalsContact CG-OD1 3.3Å; Q823-N825 WeakPolarHBondContact CG-OD1 3.39Å |
| 826 | Y | 27.9 | Very low | 26.1 | Very low | 217 Ų | 217 | 144.5 Ų | 144.5 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | | | | -168.4 | 140.9 | 110.5 | 40.1 | -117.3 | 0 | 0 | 0 | 116.7 | | |
| 827 | T | 26.4 | Very low | 27.1 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | | | trans | 55.5 | 108.3 | 145.6 | 54.9 | 0 | 0 | 0 | 0 | 124.3 | | |
| 828 | T | 25 | Very low | 27.5 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | | | | 63.5 | 102.4 | 98.8 | -56.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 829 | E | 24.5 | Very low | 27.5 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | | | | 64.9 | 146.3 | 124.4 | -61.3 | 171.6 | -122.1 | 0 | 0 | 125.4 | | |
| 830 | A | 25 | Very low | 27.6 | Very low | 90 Ų | 90 | 142.8 Ų | 142.8 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | | | trans | 76.7 | 131.9 | 140.4 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 831 | C | 23.4 | Very low | 28.9 | Very low | 104 Ų | 104 | 140 Ų | 140 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | | | trans | 77.6 | 119 | 138.3 | -76.3 | 0 | 0 | 0 | 0 | 123.5 | | |
| 832 | Q | 24.4 | Very low | 28.9 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | | 88.9 | 139 | 121.3 | -75.5 | -177 | 56.1 | 0 | 0 | 123.4 | | |
| 833 | V | 23.9 | Very low | 28.8 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | | | trans | 66.6 | 95.5 | 140.1 | 177.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 834 | D | 25.2 | Very low | 30.2 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | | | | 64.5 | 163.6 | 115.1 | -142.8 | -7.3 | 0 | 0 | 0 | 122 | | |
| 835 | T | 24.5 | Very low | 31.3 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | | | trans | 80.5 | 134.8 | 165.6 | 42.1 | 0 | 0 | 0 | 0 | 122 | | |
| 836 | R | 26.5 | Very low | 31.3 | Very low | 221 Ų | 221 | 145.3 Ų | 145.3 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | | | trans | -74 | 179.4 | 168.8 | -69.6 | 173.9 | 166.1 | -172.6 | -3.5 | 110 | | |
| 837 | P | 46.4 | Very low | 31.3 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | | | cis | -155.6 | 170.8 | 27.8 | 42.7 | -19.5 | 0 | 0 | 0 | 122.5 | | |
| 838 | H | 32.4 | Very low | 31.4 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | | | trans | 45 | 128 | 143.9 | -63.8 | -48.3 | 0 | 0 | 0 | 123.5 | | |
| 839 | Q | 29.7 | Very low | 31.5 | Very low | 198 Ų | 198 | 142.4 Ų | 142.4 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | | | | -152.5 | 170.2 | 101.4 | -110.1 | 165.6 | 98.6 | 0 | 0 | 113 | | |
| 840 | H | 26.8 | Very low | 32.5 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | trans | -137.2 | 174.5 | -169.9 | -131.9 | -35.1 | 0 | 0 | 0 | 107.9 | | |
| 841 | P | 54.6 | Low | 32.7 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | | | | -155.7 | 178.6 | 58.8 | 40.9 | -17.8 | 0 | 0 | 0 | 119 | | |
| 842 | H | 27.5 | Very low | 33.5 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | | | trans | 78.7 | 162.6 | 158.8 | -56.6 | -46.3 | 0 | 0 | 0 | 121.2 | | |
| 843 | L | 27.9 | Very low | 33.8 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | | | trans | 178.8 | -175.4 | -134.4 | -102 | -177.2 | 0 | 0 | 0 | 108.6 | | |
| 844 | P | 55.4 | Low | 33.9 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | | | cis | -132.2 | -144.7 | -17.7 | 34.1 | -8.7 | 0 | 0 | 0 | 110 | | |
| 845 | P | 48.8 | Very low | 34 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | cis | -142.6 | 168.1 | -9.9 | 45.7 | -27.9 | 0 | 0 | 0 | 119.9 | | |
| 846 | R | 30.1 | Very low | 34 | Very low | 229 Ų | 229 | 142.6 Ų | 142.6 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | | | trans | 76.4 | 146 | 156.3 | -53.9 | -154.6 | 171.5 | 140.9 | -0.9 | 120.5 | | |
| 847 | S | 28.2 | Very low | 34.2 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | | | cis | 171.4 | 155.6 | -44.9 | 46.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 848 | H | 30.1 | Very low | 33.3 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | cis | -175.4 | 129 | -30.8 | -85.5 | -45.9 | 0 | 0 | 0 | 110.6 | | |
| 849 | S | 26.8 | Very low | 33 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | 63.6 | 178.7 | 155.1 | -100.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 850 | P | 44.5 | Very low | 32.9 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | | | cis | -132 | -177 | 3.3 | 42.1 | -25 | 0 | 0 | 0 | 117.5 | | |
| 851 | L | 30.4 | Very low | 32.9 | Very low | 165 Ų | 165 | 137 Ų | 137 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | | | trans | -115.2 | 160.8 | 157.7 | -67.8 | 169.7 | 0 | 0 | 0 | 108.6 | | |
| 852 | P | 40.2 | Very low | 31.6 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | | | | -153.3 | 162.7 | 95.5 | 39.4 | -20.4 | 0 | 0 | 0 | 118.9 | | |
| 853 | I | 30.5 | Very low | 32.3 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | -37.6 | 143.7 | 165.1 | -24.8 | 177 | 0 | 0 | 0 | 117.3 | | |
| 854 | T | 26.3 | Very low | 32.3 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | | | | 164.8 | 151.1 | 115.8 | 38.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 855 | A | 26.5 | Very low | 31.2 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | 73.6 | 120.1 | 144 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 856 | E | 25.2 | Very low | 30.3 | Very low | 148 Ų | 148 | 140 Ų | 140 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | | 76.2 | 147.3 | 125.8 | -79.9 | -72.8 | 103.3 | 0 | 0 | 124.7 | | |
| 857 | R | 30.4 | Very low | 30.2 | Very low | 201 Ų | 201 | 132 Ų | 132 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | | | trans | 54.5 | 113.8 | 163.7 | -75.4 | 167.1 | 163.3 | 80.2 | -9.7 | 118 | | |
| 858 | A | 27.2 | Very low | 30.8 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | | | cis | 78.5 | 146.2 | 32.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 859 | W | 26.3 | Very low | 31 | Very low | 227 Ų | 227 | 137.2 Ų | 137.2 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | trans | 90.7 | 129.5 | 170.4 | -58.2 | 92.8 | 0 | 0 | 0 | 120.5 | | |
| 860 | T | 27.2 | Very low | 31.2 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | 70.6 | 114.2 | 141 | 45.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 861 | A | 27 | Very low | 30.7 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | | 103.3 | 104.1 | 110.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 862 | T | 26.1 | Very low | 31.5 | Very low | 135 Ų | 135 | 137 Ų | 137 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | | | trans | 65.1 | -178.9 | 133.3 | 77 | 0 | 0 | 0 | 0 | 116 | | |
| 863 | P | 44 | Very low | 31.4 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | | -130.3 | -167.5 | -118.8 | 28.9 | -2.5 | 0 | 0 | 0 | 114.5 | | |
| 864 | S | 27.1 | Very low | 32 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | 101.2 | 166 | 159.3 | -151.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 865 | L | 32 | Very low | 33 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | | | trans | 73.2 | 101.1 | 175 | -98.1 | 65.7 | 0 | 0 | 0 | 120.7 | | |
| 866 | E | 30.1 | Very low | 33.8 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | | 58.9 | 135.5 | 126.2 | -64.2 | -175 | 112.6 | 0 | 0 | 122.6 | | |
| 867 | G | 27.9 | Very low | 34.5 | Very low | 63 Ų | 63 | 137 Ų | 137 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | trans | 159.6 | 90.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 868 | P | 40.5 | Very low | 35.1 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | trans | -73.3 | 136.8 | -174.1 | 29.8 | -35 | 0 | 0 | 0 | 112.5 | | |
| 869 | R | 34.1 | Very low | 36.1 | Very low | 234 Ų | 234 | 133.9 Ų | 133.9 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | -134.6 | 98.3 | 173.8 | -72.1 | -170.6 | 174.7 | 137.5 | 4.3 | 113.2 | | |
| 870 | S | 32.6 | Very low | 37.6 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | 46.3 | 113.8 | 143.5 | 57.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 871 | L | 33.5 | Very low | 39.5 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | trans | -46.2 | 137.9 | 156.7 | -66.4 | 161.9 | 0 | 0 | 0 | 112.1 | D873 | L871-D873 PolarHBondContact O-N 3.03Š|
| 872 | P | 46.6 | Very low | 42.2 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | | | trans | -82.8 | 86.1 | 157 | 33.5 | -30.1 | 0 | 0 | 0 | 109.3 | S874 | P872-S874 PolarHBondContact O-N 3.23Š|
| 873 | D | 38.8 | Very low | 45 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | -71.1 | 120.6 | 155.5 | -176.6 | 11.4 | 0 | 0 | 0 | 108.2 | L871 | L871-D873 PolarHBondContact O-N 3.03Š|
| 874 | S | 42.3 | Very low | 47.3 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | | | trans | -155.6 | 86.5 | 170.6 | -79.9 | 0 | 0 | 0 | 0 | 107.8 | P872 R876 | P872-S874 PolarHBondContact O-N 3.23Å; S874-R876 PolarHBondContact O-N 2.91Å |
| 875 | G | 46.8 | Very low | 50.4 | Low | 75 Ų | 75 | 122.2 Ų | 122.2 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -63.2 | 61 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 876 | R | 44.6 | Very low | 53.4 | Low | 235 Ų | 235 | 118.3 Ų | 118.3 | 89% | 0.887 | 67% | 0.669 | S | S | * | * | | | trans | -148.2 | 68 | 147.1 | -78.1 | -166 | -171.2 | -91.3 | -3.4 | 108.7 | S874 S878 | S874-R876 PolarHBondContact O-N 2.91Å; R876-S878 PolarHBondContact O-N 2.67Å |
| 877 | A | 38.7 | Very low | 56.5 | Low | 97 Ų | 97 | 109.6 Ų | 109.6 | 80% | 0.802 | 63% | 0.628 | S | S | * | * | | | trans | -60.8 | 104.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 878 | S | 43.6 | Very low | 59.7 | Low | 103 Ų | 103 | 107.5 Ų | 107.5 | 72% | 0.72 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 140 | 152.9 | -66.4 | 0 | 0 | 0 | 0 | 107.3 | R876 C880 | R876-S878 PolarHBondContact O-N 2.67Å; S878-C880 PolarHBondContact O-N 3.29Å |
| 879 | P | 47.9 | Very low | 62.2 | Low | 117 Ų | 117 | 107.9 Ų | 107.9 | 76% | 0.76 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 118 | 176.1 | -25.9 | 34.3 | 0 | 0 | 0 | 108.4 | M881 | P879-M881 PolarHBondContact O-N 3.36Š|
| 880 | C | 57.6 | Low | 65.1 | Low | 88 Ų | 88 | 99.3 Ų | 99.3 | 60% | 0.595 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 117.4 | 176.8 | 44.9 | 0 | 0 | 0 | 0 | 106.4 | S878 R882 | S878-C880 PolarHBondContact O-N 3.29Å; C880-R882 PolarHBondContact O-N 3.36Å; C880-R882 VanDerWaalsContact O-N 3.1Å |
| 881 | M | 68.6 | Low | 68.2 | Low | 135 Ų | 135 | 94.2 Ų | 94.2 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 123.9 | -178.9 | -69.4 | -63.3 | -72.5 | 0 | 0 | 106.4 | P879 D883 | P879-M881 PolarHBondContact O-N 3.36Å; M881-D883 PolarHBondContact O-N 3.43Å |
| 882 | R | 82 | Confident | 71 | Confident | 139 Ų | 139 | 88.4 Ų | 88.4 | 53% | 0.525 | 49% | 0.49 | S | S | . | . | | | trans | -81.5 | 62.4 | 177 | -63.1 | -170.3 | -172.9 | 179.8 | 1.5 | 108.4 | C880 F886 F887 S957 | C880-R882 PolarHBondContact O-N 3.36Å; C880-R882 VanDerWaalsContact O-N 3.1Å; R882-F886 HydrophobicContact CB-CD1 4.24Å; R882-F886 HydrophobicContact CG-CD1 4.17Å; R882-F886 HydrophobicContact CG-CE1 4.18Å; R882-F887 HydrophobicContact CB-CD2 4.45Å; R882-F887 HydrophobicContact CB-CE2 3.62Å; R882-F887 HydrophobicContact CB-CZ 3.87Å; R882-F887 HydrophobicContact CG-CZ 4.48Å; R882-F887 WeakPolarHBondContact O-CE2 3.34Å; R882-S957 WeakPolarHBondContact O-CB 3.4Å |
| 883 | D | 86.9 | Confident | 73.3 | Confident | 67 Ų | 67 | 86 Ų | 86 | 36% | 0.358 | 47% | 0.473 | S | S | . | . | | | trans | -77.9 | 173.9 | 175 | 49 | 45.1 | 0 | 0 | 0 | 110.9 | M881 E885 F886 F887 | M881-D883 PolarHBondContact O-N 3.43Å; D883-E885 VanDerWaalsContact C-N 3.26Å; D883-E885 PolarHBondContact O-N 3.39Å; D883-E885 PolarHBondContact OD1-N 2.96Å; D883-F886 PolarHBondContact O-N 3.3Å; D883-F886 WeakPolarHBondContact OD1-CB 3.46Å; D883-F886 PolarHBondContact OD1-N 3.27Å; D883-F887 VanDerWaalsContact O-CD2 3.29Å; D883-F887 WeakPolarHBondContact O-CD2 3.42Å; D883-F887 PolarHBondContact O-N 2.88Å; D883-F887 VanDerWaalsContact O-N 3.13Å |
| 884 | G | 91.4 | Very high | 76 | Confident | 2 Ų | 2 | 79.9 Ų | 79.9 | 2% | 0.021 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58 | -38.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F886 F887 L888 S946 | G884-F886 PolarHBondContact O-N 3.17Å; G884-F887 PolarHBondContact O-N 3.1Å; G884-L888 WeakPolarHBondContact O-CB 3.41Å; G884-L888 VanDerWaalsContact O-CG 3.29Å; G884-L888 WeakPolarHBondContact O-CG 3.49Å; G884-L888 PolarHBondContact O-N 2.77Å; G884-S946 VanDerWaalsContact CA-OG 3.29Å; G884-S946 WeakPolarHBondContact CA-OG 3.11Å |
| 885 | E | 92.4 | Very high | 78.5 | Confident | 116 Ų | 116 | 75.5 Ų | 75.5 | 54% | 0.542 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 179.7 | -67 | -174.2 | -163.8 | 0 | 0 | 113 | D883 R889 I947 | D883-E885 VanDerWaalsContact C-N 3.26Å; D883-E885 PolarHBondContact O-N 3.39Å; D883-E885 PolarHBondContact OD1-N 2.96Å; E885-R889 PolarHBondContact O-N 2.92Å; E885-R889 PolarHBondContact O-NE 3.03Å; E885-R889 PolarHBondContact O-NH2 3.22Å; E885-I947 HydrophobicContact CG-CD1 4.04Å; E885-I947 HydrophobicContact CG-CG1 4.38Å |
| 886 | F | 94.1 | Very high | 80.9 | Confident | 54 Ų | 54 | 76.7 Ų | 76.7 | 24% | 0.237 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 170.6 | 173.6 | -94.7 | 0 | 0 | 0 | 111.2 | R882 D883 G884 L890 | R882-F886 HydrophobicContact CB-CD1 4.24Å; R882-F886 HydrophobicContact CG-CD1 4.17Å; R882-F886 HydrophobicContact CG-CE1 4.18Å; D883-F886 PolarHBondContact O-N 3.3Å; D883-F886 WeakPolarHBondContact OD1-CB 3.46Å; D883-F886 PolarHBondContact OD1-N 3.27Å; G884-F886 PolarHBondContact O-N 3.17Å; F886-L890 HydrophobicContact CE1-CD2 3.95Å; F886-L890 HydrophobicContact CZ-CD2 4.14Å; F886-L890 WeakPolarHBondContact O-CB 3.5Å; F886-L890 PolarHBondContact O-N 3.46Å; F886-L890 VanDerWaalsContact O-N 3.16Å |
| 887 | F | 95.1 | Very high | 83.3 | Confident | 1 Ų | 1 | 70 Ų | 70 | 0% | 0.004 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.3 | -33.3 | -178.3 | -78.5 | -61 | 0 | 0 | 0 | 113.8 | R882 D883 G884 L890 L891 F939 L960 A961 W964 | R882-F887 HydrophobicContact CB-CD2 4.45Å; R882-F887 HydrophobicContact CB-CE2 3.62Å; R882-F887 HydrophobicContact CB-CZ 3.87Å; R882-F887 HydrophobicContact CG-CZ 4.48Å; R882-F887 WeakPolarHBondContact O-CE2 3.34Å; D883-F887 VanDerWaalsContact O-CD2 3.29Å; D883-F887 WeakPolarHBondContact O-CD2 3.42Å; D883-F887 PolarHBondContact O-N 2.88Å; D883-F887 VanDerWaalsContact O-N 3.13Å; G884-F887 PolarHBondContact O-N 3.1Å; F887-L890 PolarHBondContact O-N 3.44Å; F887-L891 WeakPolarHBondContact O-CB 3.36Å; F887-L891 PolarHBondContact O-N 3.03Å; F887-F939 HydrophobicContact CB-CE1 3.86Å; F887-F939 HydrophobicContact CB-CZ 3.7Å; F887-F939 HydrophobicContact CD1-CE1 4.18Å; F887-F939 AromaticContact CD1-CZ 3.71Å; F887-F939 HydrophobicContact CD1-CZ 3.71Å; F887-F939 HydrophobicContact CD2-CZ 4.44Å; F887-F939 HydrophobicContact CE1-CZ 4.43Å; F887-F939 HydrophobicContact CG-CE1 4.27Å; F887-F939 AromaticContact CG-CZ 3.72Å; F887-F939 HydrophobicContact CG-CZ 3.72Å; F887-L960 HydrophobicContact CD2-CB 3.61Å; F887-L960 HydrophobicContact CD2-CD1 3.76Å; F887-L960 HydrophobicContact CD2-CG 4.34Å; F887-L960 HydrophobicContact CE2-CB 3.53Å; F887-L960 HydrophobicContact CE2-CD1 4.28Å; F887-L960 HydrophobicContact CG-CB 4.46Å; F887-L960 HydrophobicContact CZ-CB 4.38Å; F887-A961 HydrophobicContact CE2-CB 4.49Å; F887-A961 HydrophobicContact CZ-CB 3.92Å; F887-W964 HydrophobicContact CD1-CB 4.11Å; F887-W964 HydrophobicContact CD1-CD2 4.27Å; F887-W964 HydrophobicContact CD1-CG 4.01Å; F887-W964 HydrophobicContact CE1-CB 3.7Å; F887-W964 AromaticContact CE1-CD1 3.9Å; F887-W964 HydrophobicContact CE1-CD2 4.36Å; F887-W964 AromaticContact CE1-CG 3.67Å; F887-W964 HydrophobicContact CE1-CG 3.67Å; F887-W964 HydrophobicContact CZ-CB 4.44Å |
| 888 | L | 94.8 | Very high | 86 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -50.2 | 174.2 | -76.5 | -179.2 | 0 | 0 | 0 | 111.7 | G884 L890 L891 Q892 F940 C943 I947 | G884-L888 WeakPolarHBondContact O-CB 3.41Å; G884-L888 VanDerWaalsContact O-CG 3.29Å; G884-L888 WeakPolarHBondContact O-CG 3.49Å; G884-L888 PolarHBondContact O-N 2.77Å; L888-L890 VanDerWaalsContact C-N 3.31Å; L888-L890 PolarHBondContact O-N 3.38Å; L888-L891 WeakPolarHBondContact O-CB 3.3Å; L888-L891 PolarHBondContact O-N 3.49Å; L888-Q892 PolarHBondContact O-N 3.27Å; L888-F940 HydrophobicContact CD2-CD2 3.3Å; L888-F940 HydrophobicContact CD2-CE2 3.55Å; L888-F940 HydrophobicContact CD2-CG 4.35Å; L888-C943 HydrophobicContact CD2-CB 3.56Å; L888-C943 HydrophobicContact CG-CB 3.75Å; L888-I947 HydrophobicContact CD1-CD1 3.56Å; L888-I947 HydrophobicContact CG-CD1 4.42Å |
| 889 | R | 94.8 | Very high | 88.5 | Confident | 143 Ų | 143 | 61.8 Ų | 61.8 | 54% | 0.54 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 178.2 | -71.2 | 174.1 | -70.5 | 134.3 | -9.3 | 111.9 | E885 Q892 T893 | E885-R889 PolarHBondContact O-N 2.92Å; E885-R889 PolarHBondContact O-NE 3.03Å; E885-R889 PolarHBondContact O-NH2 3.22Å; R889-Q892 PolarHBondContact O-N 3.08Å; R889-T893 PolarHBondContact O-N 3.17Å; R889-T893 VanDerWaalsContact O-N 3.15Å; R889-T893 PolarHBondContact O-OG1 3.09Å |
| 890 | L | 95.1 | Very high | 90.8 | Very high | 55 Ų | 55 | 57.8 Ų | 57.8 | 29% | 0.288 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.5 | -35.2 | 177.3 | -173.5 | 62.8 | 0 | 0 | 0 | 112.5 | F886 F887 L888 E894 W964 | F886-L890 HydrophobicContact CE1-CD2 3.95Å; F886-L890 HydrophobicContact CZ-CD2 4.14Å; F886-L890 WeakPolarHBondContact O-CB 3.5Å; F886-L890 PolarHBondContact O-N 3.46Å; F886-L890 VanDerWaalsContact O-N 3.16Å; F887-L890 PolarHBondContact O-N 3.44Å; L888-L890 VanDerWaalsContact C-N 3.31Å; L888-L890 PolarHBondContact O-N 3.38Å; L890-E894 PolarHBondContact O-N 3.5Å; L890-W964 HydrophobicContact CD1-CZ2 4.29Å; L890-W964 HydrophobicContact CD2-CD2 4.38Å; L890-W964 HydrophobicContact CD2-CH2 4.19Å; L890-W964 HydrophobicContact CD2-CZ2 3.44Å; L890-W964 VanDerWaalsContact CD2-CZ2 3.44Å; L890-W964 HydrophobicContact CG-CH2 3.79Å; L890-W964 HydrophobicContact CG-CZ2 3.47Å; L890-W964 VanDerWaalsContact CG-CZ2 3.47Å |
| 891 | L | 95.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -48.9 | 172.9 | -177.8 | 64.1 | 0 | 0 | 0 | 110.8 | F887 L888 T893 E894 V895 V936 F939 F940 W964 L967 | F887-L891 WeakPolarHBondContact O-CB 3.36Å; F887-L891 PolarHBondContact O-N 3.03Å; L888-L891 WeakPolarHBondContact O-CB 3.3Å; L888-L891 PolarHBondContact O-N 3.49Å; L891-T893 PolarHBondContact O-N 2.85Å; L891-E894 WeakPolarHBondContact O-CA 3.36Å; L891-E894 WeakPolarHBondContact O-CB 3.14Å; L891-E894 PolarHBondContact O-N 3.43Å; L891-V895 HydrophobicContact CD1-CG2 4.43Å; L891-V895 HydrophobicContact CG-CG2 4.37Å; L891-V895 WeakPolarHBondContact O-CG2 3.37Å; L891-V895 PolarHBondContact O-N 3.43Å; L891-V936 HydrophobicContact CD1-CB 4.17Å; L891-V936 HydrophobicContact CD1-CG1 3.78Å; L891-V936 HydrophobicContact CD1-CG2 3.98Å; L891-V936 HydrophobicContact CD2-CG1 4Å; L891-V936 HydrophobicContact CG-CG1 3.98Å; L891-F939 HydrophobicContact CB-CD1 4.38Å; L891-F939 HydrophobicContact CD1-CD1 3.89Å; L891-F939 HydrophobicContact CD2-CD1 3.95Å; L891-F939 HydrophobicContact CG-CD1 4.29Å; L891-F940 HydrophobicContact CD2-CB 3.86Å; L891-F940 HydrophobicContact CD2-CD2 4.42Å; L891-W964 HydrophobicContact CB-CZ3 4.44Å; L891-W964 HydrophobicContact CD1-CZ3 4.06Å; L891-L967 HydrophobicContact CD1-CD2 3.64Å |
| 892 | Q | 93.6 | Very high | 93.8 | Very high | 45 Ų | 45 | 50.3 Ų | 50.3 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55 | -50.2 | 177.3 | 176.5 | 176.1 | 1.1 | 0 | 0 | 111.8 | F471 L888 R889 E894 V895 E896 | F471-Q892 HydrophobicContact CD2-CB 4.09Å; F471-Q892 HydrophobicContact CD2-CG 3.98Å; F471-Q892 HydrophobicContact CE2-CB 4.1Å; F471-Q892 HydrophobicContact CE2-CG 4.3Å; L888-Q892 PolarHBondContact O-N 3.27Å; R889-Q892 PolarHBondContact O-N 3.08Å; Q892-E894 PolarHBondContact O-N 2.94Å; Q892-V895 PolarHBondContact O-N 3.06Å; Q892-V895 VanDerWaalsContact O-N 3.15Å; Q892-E896 HydrophobicContact CG-CG 4.29Å; Q892-E896 WeakPolarHBondContact CG-OE1 3.29Å; Q892-E896 PolarHBondContact NE2-OE1 3.02Å; Q892-E896 WeakPolarHBondContact O-CG 3.49Å; Q892-E896 PolarHBondContact O-N 3.02Å |
| 893 | T | 95.1 | Very high | 94.4 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 45% | 0.454 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62 | -13 | 177.6 | -53.6 | 0 | 0 | 0 | 0 | 114.1 | R889 L891 R897 | R889-T893 PolarHBondContact O-N 3.17Å; R889-T893 VanDerWaalsContact O-N 3.15Å; R889-T893 PolarHBondContact O-OG1 3.09Å; L891-T893 PolarHBondContact O-N 2.85Å; T893-R897 PolarHBondContact O-NH2 2.86Å |
| 894 | E | 94.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -100.8 | -34.3 | 177.5 | -157.9 | 63.4 | -125.2 | 0 | 0 | 111.8 | L890 L891 Q892 R897 M898 W964 Q968 I971 | L890-E894 PolarHBondContact O-N 3.5Å; L891-E894 WeakPolarHBondContact O-CA 3.36Å; L891-E894 WeakPolarHBondContact O-CB 3.14Å; L891-E894 PolarHBondContact O-N 3.43Å; Q892-E894 PolarHBondContact O-N 2.94Å; E894-R897 VanDerWaalsContact CD-CZ 3.44Å; E894-R897 PolarHBondContact O-N 2.99Å; E894-R897 IonicContact OE1-CZ 3.32Å; E894-R897 VanDerWaalsContact OE1-CZ 3.25Å; E894-R897 IonicContact OE1-NE 2.75Å; E894-R897 IonicContact OE1-NH1 3.19Å; E894-R897 PolarHBondContact OE1-NH1 2.94Å; E894-R897 IonicContact OE1-NH2 3.51Å; E894-R897 IonicContact OE2-CZ 2.8Å; E894-R897 IonicContact OE2-NH1 2.85Å; E894-R897 PolarHBondContact OE2-NH1 3.15Å; E894-R897 IonicContact OE2-NH2 2.78Å; E894-R897 PolarHBondContact OE2-NH2 2.85Å; E894-M898 WeakPolarHBondContact O-CE 3.41Å; E894-M898 WeakPolarHBondContact O-CG 3.35Å; E894-M898 PolarHBondContact O-N 3.42Å; E894-W964 HydrophobicContact CB-CH2 4.2Å; E894-W964 HydrophobicContact CG-CH2 4.3Å; E894-Q968 PolarHBondContact OE2-NE2 3.25Å; E894-I971 HydrophobicContact CG-CD1 3.54Å; E894-I971 HydrophobicContact CG-CG1 4.29Å; E894-I971 HydrophobicContact CG-CG2 3.97Å; E894-I971 WeakPolarHBondContact OE1-CG2 3.32Å |
| 895 | V | 96.1 | Very high | 94.6 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -54.9 | 170.7 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | L891 Q892 R897 M898 E899 M932 V936 | L891-V895 HydrophobicContact CD1-CG2 4.43Å; L891-V895 HydrophobicContact CG-CG2 4.37Å; L891-V895 WeakPolarHBondContact O-CG2 3.37Å; L891-V895 PolarHBondContact O-N 3.43Å; Q892-V895 PolarHBondContact O-N 3.06Å; Q892-V895 VanDerWaalsContact O-N 3.15Å; V895-R897 PolarHBondContact O-N 2.97Å; V895-M898 PolarHBondContact O-N 3.01Å; V895-E899 HydrophobicContact CG1-CG 4.27Å; V895-E899 WeakPolarHBondContact CG1-OE1 3.48Å; V895-E899 WeakPolarHBondContact O-CG 3.47Å; V895-E899 PolarHBondContact O-N 2.98Å; V895-M932 HydrophobicContact CG1-SD 4.21Å; V895-V936 HydrophobicContact CG2-CB 4.3Å; V895-V936 HydrophobicContact CG2-CG1 3.36Å; V895-V936 HydrophobicContact CG2-CG2 4.01Å |
| 896 | E | 96 | Very high | 94.5 | Very high | 101 Ų | 101 | 46.5 Ų | 46.5 | 47% | 0.472 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -53.2 | -30.9 | 177.3 | -68.7 | 168 | 175.6 | 0 | 0 | 112 | Q892 G900 | Q892-E896 HydrophobicContact CG-CG 4.29Å; Q892-E896 WeakPolarHBondContact CG-OE1 3.29Å; Q892-E896 PolarHBondContact NE2-OE1 3.02Å; Q892-E896 WeakPolarHBondContact O-CG 3.49Å; Q892-E896 PolarHBondContact O-N 3.02Å; E896-G900 PolarHBondContact O-N 3.47Å |
| 897 | R | 95.7 | Very high | 94.3 | Very high | 94 Ų | 94 | 51.1 Ų | 51.1 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -78.6 | -40.4 | 178.3 | -160.4 | -172.1 | -47.9 | 140.2 | 23.9 | 113 | T893 E894 V895 G900 W901 | T893-R897 PolarHBondContact O-NH2 2.86Å; E894-R897 VanDerWaalsContact CD-CZ 3.44Å; E894-R897 PolarHBondContact O-N 2.99Å; E894-R897 IonicContact OE1-CZ 3.32Å; E894-R897 VanDerWaalsContact OE1-CZ 3.25Å; E894-R897 IonicContact OE1-NE 2.75Å; E894-R897 IonicContact OE1-NH1 3.19Å; E894-R897 PolarHBondContact OE1-NH1 2.94Å; E894-R897 IonicContact OE1-NH2 3.51Å; E894-R897 IonicContact OE2-CZ 2.8Å; E894-R897 IonicContact OE2-NH1 2.85Å; E894-R897 PolarHBondContact OE2-NH1 3.15Å; E894-R897 IonicContact OE2-NH2 2.78Å; E894-R897 PolarHBondContact OE2-NH2 2.85Å; V895-R897 PolarHBondContact O-N 2.97Å; R897-G900 PolarHBondContact O-N 3.06Å; R897-W901 HydrophobicContact CG-CH2 4.3Å; R897-W901 HydrophobicContact CG-CZ2 3.72Å; R897-W901 VanDerWaalsContact O-CG 3.31Å; R897-W901 PolarHBondContact O-N 3.36Å; R897-W901 VanDerWaalsContact O-N 3.07Å |
| 898 | M | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.8 | -40.8 | 174.9 | -73.7 | -175.7 | -68.7 | 0 | 0 | 111.3 | E894 V895 W901 C902 L931 M932 V936 I971 | E894-M898 WeakPolarHBondContact O-CE 3.41Å; E894-M898 WeakPolarHBondContact O-CG 3.35Å; E894-M898 PolarHBondContact O-N 3.42Å; V895-M898 PolarHBondContact O-N 3.01Å; M898-W901 HydrophobicContact CB-CE3 4.45Å; M898-W901 HydrophobicContact CG-CE3 3.98Å; M898-W901 HydrophobicContact CG-CZ3 3.84Å; M898-W901 WeakPolarHBondContact O-CB 3.47Å; M898-W901 PolarHBondContact O-N 3.15Å; M898-W901 VanDerWaalsContact O-N 3.15Å; M898-C902 PolarHBondContact O-N 3.5Å; M898-C902 PolarHBondContact O-SG 2.88Å; M898-C902 VanDerWaalsContact O-SG 3.36Å; M898-L931 HydrophobicContact SD-CD2 4.06Å; M898-M932 HydrophobicContact CB-CE 4.48Å; M898-M932 HydrophobicContact CB-SD 3.68Å; M898-M932 HydrophobicContact CE-CG 3.82Å; M898-M932 HydrophobicContact CE-SD 4.09Å; M898-M932 HydrophobicContact SD-CG 4.41Å; M898-V936 HydrophobicContact CE-CG2 4.04Å; M898-I971 HydrophobicContact CE-CG1 4.17Å; M898-I971 HydrophobicContact SD-CB 4.45Å; M898-I971 HydrophobicContact SD-CG1 3.96Å; M898-I971 HydrophobicContact SD-CG2 4.09Å |
| 899 | E | 95.8 | Very high | 93.3 | Very high | 28 Ų | 28 | 52.1 Ų | 52.1 | 13% | 0.131 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -45.1 | 171.5 | -69.6 | 171.1 | 176.3 | 0 | 0 | 111.3 | M478 V895 W901 C902 Q903 M932 | M478-E899 VanDerWaalsContact CE-CD 3.46Å; M478-E899 HydrophobicContact CE-CG 4.38Å; M478-E899 VanDerWaalsContact CE-OE1 3.31Å; M478-E899 WeakPolarHBondContact CE-OE1 3.38Å; V895-E899 HydrophobicContact CG1-CG 4.27Å; V895-E899 WeakPolarHBondContact CG1-OE1 3.48Å; V895-E899 WeakPolarHBondContact O-CG 3.47Å; V895-E899 PolarHBondContact O-N 2.98Å; E899-W901 VanDerWaalsContact C-N 3.28Å; E899-W901 PolarHBondContact O-N 2.87Å; E899-C902 WeakPolarHBondContact O-CB 3.39Å; E899-C902 PolarHBondContact O-N 3Å; E899-C902 VanDerWaalsContact O-N 3.15Å; E899-Q903 WeakPolarHBondContact O-CG 3.37Å; E899-Q903 PolarHBondContact O-N 3.3Å; E899-M932 HydrophobicContact CG-CE 3.96Å; E899-M932 HydrophobicContact CG-SD 3.93Å |
| 900 | G | 95.6 | Very high | 92.8 | Very high | 33 Ų | 33 | 53 Ų | 53 | 34% | 0.34 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.9 | -33.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E896 R897 N904 | E896-G900 PolarHBondContact O-N 3.47Å; R897-G900 PolarHBondContact O-N 3.06Å; G900-N904 WeakPolarHBondContact O-CB 3.5Å; G900-N904 PolarHBondContact O-N 3.34Å |
| 901 | W | 94.4 | Very high | 92.1 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.8 | -40.6 | 172.4 | -62.4 | -26.7 | 0 | 0 | 0 | 112.5 | R897 M898 E899 M905 R975 F978 | R897-W901 HydrophobicContact CG-CH2 4.3Å; R897-W901 HydrophobicContact CG-CZ2 3.72Å; R897-W901 VanDerWaalsContact O-CG 3.31Å; R897-W901 PolarHBondContact O-N 3.36Å; R897-W901 VanDerWaalsContact O-N 3.07Å; M898-W901 HydrophobicContact CB-CE3 4.45Å; M898-W901 HydrophobicContact CG-CE3 3.98Å; M898-W901 HydrophobicContact CG-CZ3 3.84Å; M898-W901 WeakPolarHBondContact O-CB 3.47Å; M898-W901 PolarHBondContact O-N 3.15Å; M898-W901 VanDerWaalsContact O-N 3.15Å; E899-W901 VanDerWaalsContact C-N 3.28Å; E899-W901 PolarHBondContact O-N 2.87Å; W901-M905 WeakPolarHBondContact O-CB 3.34Å; W901-M905 PolarHBondContact O-N 3.07Å; W901-R975 HydrophobicContact CH2-CB 3.79Å; W901-R975 HydrophobicContact CH2-CG 3.51Å; W901-R975 HydrophobicContact CZ2-CG 3.94Å; W901-R975 HydrophobicContact CZ3-CB 3.81Å; W901-R975 HydrophobicContact CZ3-CG 3.99Å; W901-F978 HydrophobicContact CB-CD1 3.94Å; W901-F978 HydrophobicContact CB-CD2 3.77Å; W901-F978 HydrophobicContact CB-CE1 4Å; W901-F978 HydrophobicContact CB-CE2 3.8Å; W901-F978 HydrophobicContact CB-CG 3.83Å; W901-F978 HydrophobicContact CB-CZ 3.93Å; W901-F978 HydrophobicContact CD2-CD2 4.3Å; W901-F978 AromaticContact CE3-CD2 3.89Å; W901-F978 HydrophobicContact CE3-CD2 3.89Å; W901-F978 HydrophobicContact CE3-CE2 4.35Å; W901-F978 HydrophobicContact CG-CD2 4.3Å; W901-F978 HydrophobicContact CG-CG 4.36Å; W901-F978 WeakPolarHBondContact O-CE1 3.5Å |
| 902 | C | 95.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -61.6 | 173.9 | -66.8 | 0 | 0 | 0 | 0 | 110.7 | M898 E899 N904 M905 E906 V925 | M898-C902 PolarHBondContact O-N 3.5Å; M898-C902 PolarHBondContact O-SG 2.88Å; M898-C902 VanDerWaalsContact O-SG 3.36Å; E899-C902 WeakPolarHBondContact O-CB 3.39Å; E899-C902 PolarHBondContact O-N 3Å; E899-C902 VanDerWaalsContact O-N 3.15Å; C902-N904 PolarHBondContact O-N 3.21Å; C902-N904 VanDerWaalsContact O-N 3.14Å; C902-M905 CarbonylContact O-C 3.59Å; C902-M905 PolarHBondContact O-N 2.8Å; C902-E906 WeakPolarHBondContact CB-OE2 3.46Å; C902-E906 WeakPolarHBondContact O-CB 3.43Å; C902-E906 WeakPolarHBondContact O-CG 3.5Å; C902-E906 PolarHBondContact O-N 2.89Å; C902-V925 HydrophobicContact CB-CG1 4.22Å |
| 903 | Q | 94.3 | Very high | 89.4 | Confident | 102 Ų | 102 | 67 Ų | 67 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59 | -32.9 | -175.4 | -66.5 | 173.1 | 18.1 | 0 | 0 | 113.2 | E899 E906 R907 | E899-Q903 WeakPolarHBondContact O-CG 3.37Å; E899-Q903 PolarHBondContact O-N 3.3Å; Q903-E906 PolarHBondContact N-OE2 3.15Å; Q903-R907 VanDerWaalsContact O-CB 3.24Å; Q903-R907 WeakPolarHBondContact O-CB 3.41Å; Q903-R907 PolarHBondContact O-N 3.27Å |
| 904 | N | 92.8 | Very high | 87.8 | Confident | 72 Ų | 72 | 65.1 Ų | 65.1 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 174.7 | 176.6 | 88.9 | 0 | 0 | 0 | 111.9 | G900 C902 E908 | G900-N904 WeakPolarHBondContact O-CB 3.5Å; G900-N904 PolarHBondContact O-N 3.34Å; C902-N904 PolarHBondContact O-N 3.21Å; C902-N904 VanDerWaalsContact O-N 3.14Å; N904-E908 WeakPolarHBondContact O-CB 3.48Å; N904-E908 PolarHBondContact O-N 2.79Å |
| 905 | M | 90.3 | Very high | 86.1 | Confident | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.02 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -85.1 | -27.5 | -177.8 | -153.5 | 67.3 | 65.1 | 0 | 0 | 113 | W901 C902 E908 A909 I921 V925 F978 L981 W989 | W901-M905 WeakPolarHBondContact O-CB 3.34Å; W901-M905 PolarHBondContact O-N 3.07Å; C902-M905 CarbonylContact O-C 3.59Å; C902-M905 PolarHBondContact O-N 2.8Å; M905-E908 WeakPolarHBondContact O-CB 3.07Å; M905-E908 PolarHBondContact O-N 3.47Å; M905-E908 HydrophobicContact SD-CB 4.47Å; M905-A909 PolarHBondContact O-N 3.16Å; M905-I921 HydrophobicContact CB-CG2 4.22Å; M905-I921 HydrophobicContact CG-CB 4.37Å; M905-I921 HydrophobicContact CG-CD1 4.36Å; M905-I921 HydrophobicContact CG-CG1 4Å; M905-I921 HydrophobicContact CG-CG2 3.68Å; M905-I921 WeakPolarHBondContact O-CG2 3.38Å; M905-V925 HydrophobicContact CB-CG2 4.47Å; M905-F978 HydrophobicContact CB-CD1 4.33Å; M905-F978 HydrophobicContact CB-CE1 4.01Å; M905-F978 HydrophobicContact CE-CD1 4.2Å; M905-L981 HydrophobicContact CE-CB 3.81Å; M905-L981 HydrophobicContact CG-CD1 4.16Å; M905-L981 HydrophobicContact SD-CB 4.13Å; M905-W989 HydrophobicContact SD-CH2 4.06Å |
| 906 | E | 90.7 | Very high | 84.3 | Confident | 66 Ų | 66 | 77.6 Ų | 77.6 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.7 | -50.6 | 171 | -71.9 | 167 | 131.6 | 0 | 0 | 110.2 | C902 Q903 E908 A909 E910 V925 Q929 | C902-E906 WeakPolarHBondContact CB-OE2 3.46Å; C902-E906 WeakPolarHBondContact O-CB 3.43Å; C902-E906 WeakPolarHBondContact O-CG 3.5Å; C902-E906 PolarHBondContact O-N 2.89Å; Q903-E906 PolarHBondContact N-OE2 3.15Å; E906-E908 PolarHBondContact O-N 2.96Å; E906-A909 CarbonylContact O-C 3.56Å; E906-A909 WeakPolarHBondContact O-CA 3.29Å; E906-A909 WeakPolarHBondContact O-CB 3.32Å; E906-A909 PolarHBondContact O-N 3.05Å; E906-E910 PolarHBondContact O-N 3Å; E906-V925 HydrophobicContact CG-CG1 3.91Å; E906-V925 HydrophobicContact CG-CG2 4.05Å; E906-V925 VanDerWaalsContact OE1-CG1 3.29Å; E906-V925 WeakPolarHBondContact OE1-CG1 3.46Å; E906-Q929 PolarHBondContact OE1-NE2 3.18Å |
| 907 | R | 89.5 | Confident | 82.8 | Confident | 150 Ų | 150 | 73.7 Ų | 73.7 | 57% | 0.566 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -54.2 | -40.6 | 171.2 | -177.6 | -166.4 | -50.4 | -80.9 | -10 | 112.5 | Q903 A909 E910 E911 | Q903-R907 VanDerWaalsContact O-CB 3.24Å; Q903-R907 WeakPolarHBondContact O-CB 3.41Å; Q903-R907 PolarHBondContact O-N 3.27Å; R907-A909 VanDerWaalsContact C-N 3.3Å; R907-A909 PolarHBondContact O-N 3.1Å; R907-E910 WeakPolarHBondContact O-CB 3.5Å; R907-E910 PolarHBondContact O-N 3.34Å; R907-E910 VanDerWaalsContact O-N 3.15Å; R907-E911 WeakPolarHBondContact O-CB 3.36Å; R907-E911 PolarHBondContact O-N 3.21Å |
| 908 | E | 85 | Confident | 81.6 | Confident | 19 Ų | 19 | 70 Ų | 70 | 9% | 0.089 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.2 | -32.3 | 178.2 | -168.7 | 69.4 | -166.4 | 0 | 0 | 112.5 | N904 M905 E906 E910 N912 K985 W989 | N904-E908 WeakPolarHBondContact O-CB 3.48Å; N904-E908 PolarHBondContact O-N 2.79Å; M905-E908 WeakPolarHBondContact O-CB 3.07Å; M905-E908 PolarHBondContact O-N 3.47Å; M905-E908 HydrophobicContact SD-CB 4.47Å; E906-E908 PolarHBondContact O-N 2.96Å; E908-E910 VanDerWaalsContact C-N 3.34Å; E908-N912 VanDerWaalsContact CD-ND2 3.3Å; E908-N912 WeakPolarHBondContact O-CB 3.33Å; E908-N912 PolarHBondContact O-N 3.14Å; E908-N912 PolarHBondContact O-ND2 3.47Å; E908-N912 PolarHBondContact OE1-ND2 3.33Å; E908-K985 HydrophobicContact CG-CD 4Å; E908-K985 VanDerWaalsContact OE1-CD 3.27Å; E908-K985 WeakPolarHBondContact OE1-CD 3.31Å; E908-K985 WeakPolarHBondContact OE1-CE 3.34Å; E908-K985 IonicContact OE1-NZ 2.63Å; E908-K985 PolarHBondContact OE1-NZ 3.07Å; E908-K985 WeakPolarHBondContact OE2-CE 3.37Å; E908-K985 IonicContact OE2-NZ 2.67Å; E908-K985 PolarHBondContact OE2-NZ 3.01Å; E908-W989 HydrophobicContact CG-CH2 4.46Å; E908-W989 HydrophobicContact CG-CZ2 3.56Å |
| 909 | A | 84.3 | Confident | 80.8 | Confident | 23 Ų | 23 | 77.1 Ų | 77.1 | 19% | 0.19 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -77 | -18.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M905 E906 R907 V918 I921 | M905-A909 PolarHBondContact O-N 3.16Å; E906-A909 CarbonylContact O-C 3.56Å; E906-A909 WeakPolarHBondContact O-CA 3.29Å; E906-A909 WeakPolarHBondContact O-CB 3.32Å; E906-A909 PolarHBondContact O-N 3.05Å; R907-A909 VanDerWaalsContact C-N 3.3Å; R907-A909 PolarHBondContact O-N 3.1Å; A909-V918 HydrophobicContact CB-CG1 4.3Å; A909-V918 HydrophobicContact CB-CG2 4.18Å; A909-I921 HydrophobicContact CB-CD1 3.76Å; A909-I921 HydrophobicContact CB-CG2 4.13Å |
| 910 | E | 83.6 | Confident | 80.3 | Confident | 161 Ų | 161 | 79.9 Ų | 79.9 | 75% | 0.752 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -84.6 | -36.5 | 170.6 | -66.7 | 174.6 | 163.9 | 0 | 0 | 111.7 | E906 R907 E908 | E906-E910 PolarHBondContact O-N 3Å; R907-E910 WeakPolarHBondContact O-CB 3.5Å; R907-E910 PolarHBondContact O-N 3.34Å; R907-E910 VanDerWaalsContact O-N 3.15Å; E908-E910 VanDerWaalsContact C-N 3.34Å |
| 911 | E | 79.8 | Confident | 80 | Confident | 150 Ų | 150 | 78.4 Ų | 78.4 | 70% | 0.701 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -79.4 | -31.3 | -179.8 | -171.5 | 169.8 | 177.2 | 0 | 0 | 112.9 | R907 | R907-E911 WeakPolarHBondContact O-CB 3.36Å; R907-E911 PolarHBondContact O-N 3.21Å |
| 912 | N | 69.1 | Low | 79.8 | Confident | 48 Ų | 48 | 83.8 Ų | 83.8 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -102.8 | 110.8 | 172.9 | -58.1 | -95.2 | 0 | 0 | 0 | 110.2 | E908 L914 | E908-N912 VanDerWaalsContact CD-ND2 3.3Å; E908-N912 WeakPolarHBondContact O-CB 3.33Å; E908-N912 PolarHBondContact O-N 3.14Å; E908-N912 PolarHBondContact O-ND2 3.47Å; E908-N912 PolarHBondContact OE1-ND2 3.33Å; N912-L914 HydrophobicContact CB-CD1 3.58Å; N912-L914 HydrophobicContact CB-CG 3.74Å; N912-L914 PolarHBondContact O-N 2.97Å |
| 913 | E | 64 | Low | 79.6 | Confident | 196 Ų | 196 | 86.8 Ų | 86.8 | 92% | 0.916 | 42% | 0.423 | S | S | * | . | | | trans | -68.1 | 67 | 174.2 | -64.8 | -174.4 | 160.1 | 0 | 0 | 112.4 | P915 | E913-P915 WeakPolarHBondContact O-CD 3.37Š|
| 914 | L | 63.1 | Low | 79.6 | Confident | 36 Ų | 36 | 82.1 Ų | 82.1 | 19% | 0.188 | 40% | 0.402 | C | S | . | . | | | trans | -91.2 | 116.7 | -174.3 | -70 | 162.8 | 0 | 0 | 0 | 111 | N912 E916 D917 V918 W989 | N912-L914 HydrophobicContact CB-CD1 3.58Å; N912-L914 HydrophobicContact CB-CG 3.74Å; N912-L914 PolarHBondContact O-N 2.97Å; L914-E916 PolarHBondContact O-N 3.17Å; L914-D917 HydrophobicContact CB-CB 4.38Å; L914-D917 HydrophobicContact CD1-CB 4.26Å; L914-V918 HydrophobicContact CB-CG2 3.86Å; L914-V918 WeakPolarHBondContact O-CG2 3.37Å; L914-W989 HydrophobicContact CD1-CB 4.13Å; L914-W989 HydrophobicContact CD1-CD2 3.44Å; L914-W989 VanDerWaalsContact CD1-CD2 3.44Å; L914-W989 HydrophobicContact CD1-CE3 3.86Å; L914-W989 HydrophobicContact CD1-CG 3.51Å; L914-W989 HydrophobicContact CD2-CB 3.72Å; L914-W989 HydrophobicContact CD2-CG 3.97Å; L914-W989 HydrophobicContact CG-CG 4.37Å |
| 915 | P | 56.9 | Low | 79.7 | Confident | 126 Ų | 126 | 79 Ų | 79 | 82% | 0.818 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -72 | -25.7 | -176.4 | -21.6 | 35.1 | 0 | 0 | 0 | 114.8 | E913 | E913-P915 WeakPolarHBondContact O-CD 3.37Š|
| 916 | E | 59.9 | Low | 79.9 | Confident | 154 Ų | 154 | 79.8 Ų | 79.8 | 72% | 0.72 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -121.8 | -46.4 | -169.9 | -66.1 | 176.3 | 177.8 | 0 | 0 | 112.7 | L914 V918 E919 | L914-E916 PolarHBondContact O-N 3.17Å; E916-V918 PolarHBondContact O-N 3.24Å; E916-V918 VanDerWaalsContact O-N 3.09Å; E916-E919 PolarHBondContact O-N 3.14Å; E916-E919 VanDerWaalsContact O-N 3.17Å |
| 917 | D | 64.5 | Low | 80.1 | Confident | 20 Ų | 20 | 78.1 Ų | 78.1 | 11% | 0.107 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.8 | -177.2 | -65.4 | -73.4 | 0 | 0 | 0 | 114.7 | L914 E919 L920 I921 W989 L991 | L914-D917 HydrophobicContact CB-CB 4.38Å; L914-D917 HydrophobicContact CD1-CB 4.26Å; D917-E919 PolarHBondContact O-N 2.82Å; D917-L920 WeakPolarHBondContact O-CB 3.43Å; D917-L920 PolarHBondContact O-N 2.79Å; D917-I921 PolarHBondContact O-N 2.96Å; D917-W989 HydrophobicContact CB-CE3 4.01Å; D917-L991 WeakPolarHBondContact OD1-CD2 3.45Å |
| 918 | V | 69.3 | Low | 80.5 | Confident | 15 Ų | 15 | 71 Ų | 71 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.6 | -25.9 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | A909 L914 E916 L920 I921 R922 | A909-V918 HydrophobicContact CB-CG1 4.3Å; A909-V918 HydrophobicContact CB-CG2 4.18Å; L914-V918 HydrophobicContact CB-CG2 3.86Å; L914-V918 WeakPolarHBondContact O-CG2 3.37Å; E916-V918 PolarHBondContact O-N 3.24Å; E916-V918 VanDerWaalsContact O-N 3.09Å; V918-L920 VanDerWaalsContact C-N 3.32Å; V918-L920 PolarHBondContact O-N 2.76Å; V918-I921 PolarHBondContact O-N 3.44Å; V918-R922 HydrophobicContact CG1-CG 4.08Å; V918-R922 WeakPolarHBondContact O-CB 3.42Å; V918-R922 VanDerWaalsContact O-CG 3.29Å; V918-R922 WeakPolarHBondContact O-CG 3.28Å; V918-R922 PolarHBondContact O-N 2.93Å |
| 919 | E | 78.9 | Confident | 81 | Confident | 151 Ų | 151 | 74.1 Ų | 74.1 | 71% | 0.706 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.4 | -36.3 | 172 | -64.4 | -153.2 | 148.4 | 0 | 0 | 112.3 | E916 D917 S923 | E916-E919 PolarHBondContact O-N 3.14Å; E916-E919 VanDerWaalsContact O-N 3.17Å; D917-E919 PolarHBondContact O-N 2.82Å; E919-S923 WeakPolarHBondContact O-CB 3.21Å; E919-S923 PolarHBondContact O-N 2.82Å |
| 920 | L | 85.9 | Confident | 81.6 | Confident | 85 Ų | 85 | 78 Ų | 78 | 45% | 0.445 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 176.7 | -170.3 | 66.5 | 0 | 0 | 0 | 111.1 | D917 V918 S923 A924 L981 L984 | D917-L920 WeakPolarHBondContact O-CB 3.43Å; D917-L920 PolarHBondContact O-N 2.79Å; V918-L920 VanDerWaalsContact C-N 3.32Å; V918-L920 PolarHBondContact O-N 2.76Å; L920-S923 PolarHBondContact O-N 3.43Å; L920-A924 PolarHBondContact O-N 2.97Å; L920-L981 HydrophobicContact CB-CD2 4.25Å; L920-L981 HydrophobicContact CD2-CD2 3.75Å; L920-L981 HydrophobicContact CG-CD2 3.79Å; L920-L981 HydrophobicContact CG-CG 4.46Å; L920-L984 HydrophobicContact CD2-CD2 3.76Å |
| 921 | I | 88.6 | Confident | 82.2 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.5 | -55.9 | 172.8 | -63.8 | 172.1 | 0 | 0 | 0 | 110.3 | M905 A909 D917 V918 S923 A924 V925 L981 W989 | M905-I921 HydrophobicContact CB-CG2 4.22Å; M905-I921 HydrophobicContact CG-CB 4.37Å; M905-I921 HydrophobicContact CG-CD1 4.36Å; M905-I921 HydrophobicContact CG-CG1 4Å; M905-I921 HydrophobicContact CG-CG2 3.68Å; M905-I921 WeakPolarHBondContact O-CG2 3.38Å; A909-I921 HydrophobicContact CB-CD1 3.76Å; A909-I921 HydrophobicContact CB-CG2 4.13Å; D917-I921 PolarHBondContact O-N 2.96Å; V918-I921 PolarHBondContact O-N 3.44Å; I921-S923 PolarHBondContact O-N 3.49Å; I921-A924 PolarHBondContact O-N 3.01Å; I921-A924 VanDerWaalsContact O-N 3.08Å; I921-V925 HydrophobicContact CG2-CG2 4.02Å; I921-V925 WeakPolarHBondContact O-CB 3.39Å; I921-V925 VanDerWaalsContact O-CG2 3.3Å; I921-V925 WeakPolarHBondContact O-CG2 3.38Å; I921-V925 PolarHBondContact O-N 2.67Å; I921-L981 HydrophobicContact CG1-CD1 4.37Å; I921-L981 HydrophobicContact CG1-CD2 3.83Å; I921-W989 HydrophobicContact CD1-CH2 3.66Å; I921-W989 HydrophobicContact CD1-CZ2 4.34Å; I921-W989 HydrophobicContact CD1-CZ3 3.91Å; I921-W989 HydrophobicContact CG1-CH2 4.15Å; I921-W989 HydrophobicContact CG1-CZ3 4.21Å |
| 922 | R | 89.8 | Confident | 82.9 | Confident | 175 Ų | 175 | 64.4 Ų | 64.4 | 66% | 0.66 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -56.7 | -35.7 | 177.9 | -72.9 | 174.2 | -179.7 | 144.4 | 4.6 | 112.3 | V918 G926 | V918-R922 HydrophobicContact CG1-CG 4.08Å; V918-R922 WeakPolarHBondContact O-CB 3.42Å; V918-R922 VanDerWaalsContact O-CG 3.29Å; V918-R922 WeakPolarHBondContact O-CG 3.28Å; V918-R922 PolarHBondContact O-N 2.93Å; R922-G926 WeakPolarHBondContact O-CA 3.45Å; R922-G926 PolarHBondContact O-N 3.17Å |
| 923 | S | 92.1 | Very high | 84.2 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.7 | -38.7 | 176.2 | -177.6 | 0 | 0 | 0 | 0 | 113.1 | E919 L920 I921 S927 R977 | E919-S923 WeakPolarHBondContact O-CB 3.21Å; E919-S923 PolarHBondContact O-N 2.82Å; L920-S923 PolarHBondContact O-N 3.43Å; I921-S923 PolarHBondContact O-N 3.49Å; S923-S927 VanDerWaalsContact O-CB 3.28Å; S923-S927 WeakPolarHBondContact O-CB 3.42Å; S923-S927 PolarHBondContact O-N 3.14Å; S923-S927 VanDerWaalsContact O-N 3.13Å; S923-S927 PolarHBondContact O-OG 2.81Å; S923-R977 PolarHBondContact O-NH1 2.91Å |
| 924 | A | 93.8 | Very high | 85.6 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.5 | -51.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L920 I921 S927 A928 R977 L981 | L920-A924 PolarHBondContact O-N 2.97Å; I921-A924 PolarHBondContact O-N 3.01Å; I921-A924 VanDerWaalsContact O-N 3.08Å; A924-S927 PolarHBondContact O-N 3.13Å; A924-S927 VanDerWaalsContact O-N 3.14Å; A924-S927 PolarHBondContact O-OG 3.31Å; A924-A928 PolarHBondContact O-N 3.45Å; A924-R977 HydrophobicContact CB-CB 4.09Å; A924-L981 HydrophobicContact CB-CD1 3.35Å |
| 925 | V | 94.9 | Very high | 87.1 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.1 | -51.3 | 178 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | C902 M905 E906 I921 S927 A928 Q929 F978 | C902-V925 HydrophobicContact CB-CG1 4.22Å; M905-V925 HydrophobicContact CB-CG2 4.47Å; E906-V925 HydrophobicContact CG-CG1 3.91Å; E906-V925 HydrophobicContact CG-CG2 4.05Å; E906-V925 VanDerWaalsContact OE1-CG1 3.29Å; E906-V925 WeakPolarHBondContact OE1-CG1 3.46Å; I921-V925 HydrophobicContact CG2-CG2 4.02Å; I921-V925 WeakPolarHBondContact O-CB 3.39Å; I921-V925 VanDerWaalsContact O-CG2 3.3Å; I921-V925 WeakPolarHBondContact O-CG2 3.38Å; I921-V925 PolarHBondContact O-N 2.67Å; V925-S927 VanDerWaalsContact C-N 3.27Å; V925-S927 PolarHBondContact O-N 3.28Å; V925-A928 CarbonylContact O-C 3.59Å; V925-A928 WeakPolarHBondContact O-CA 3.29Å; V925-A928 WeakPolarHBondContact O-CB 3.18Å; V925-A928 PolarHBondContact O-N 3.34Å; V925-Q929 HydrophobicContact CG1-CG 4.33Å; V925-Q929 WeakPolarHBondContact O-CG 3.15Å; V925-Q929 PolarHBondContact O-N 2.78Å; V925-F978 HydrophobicContact CG2-CE1 4.03Å; V925-F978 HydrophobicContact CG2-CZ 4.16Å |
| 926 | G | 95 | Very high | 89 | Confident | 22 Ų | 22 | 55 Ų | 55 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60 | -34.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R922 A928 M930 | R922-G926 WeakPolarHBondContact O-CA 3.45Å; R922-G926 PolarHBondContact O-N 3.17Å; G926-A928 VanDerWaalsContact C-N 3.33Å; G926-A928 PolarHBondContact O-N 3.37Å; G926-M930 WeakPolarHBondContact O-CB 3.31Å; G926-M930 WeakPolarHBondContact O-CG 3.43Å; G926-M930 PolarHBondContact O-N 3.2Å |
| 927 | S | 94.9 | Very high | 90.7 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 21% | 0.21 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.3 | -26.8 | 173.5 | 71.6 | 0 | 0 | 0 | 0 | 114 | S923 A924 V925 L931 R977 | S923-S927 VanDerWaalsContact O-CB 3.28Å; S923-S927 WeakPolarHBondContact O-CB 3.42Å; S923-S927 PolarHBondContact O-N 3.14Å; S923-S927 VanDerWaalsContact O-N 3.13Å; S923-S927 PolarHBondContact O-OG 2.81Å; A924-S927 PolarHBondContact O-N 3.13Å; A924-S927 VanDerWaalsContact O-N 3.14Å; A924-S927 PolarHBondContact O-OG 3.31Å; V925-S927 VanDerWaalsContact C-N 3.27Å; V925-S927 PolarHBondContact O-N 3.28Å; S927-L931 WeakPolarHBondContact O-CB 3.43Å; S927-L931 PolarHBondContact O-N 3.23Å; S927-R977 WeakPolarHBondContact OG-CD 3.16Å; S927-R977 PolarHBondContact OG-NH1 3.01Å |
| 928 | A | 96.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -78.3 | -47.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | A924 V925 G926 M930 L931 M932 V974 F978 | A924-A928 PolarHBondContact O-N 3.45Å; V925-A928 CarbonylContact O-C 3.59Å; V925-A928 WeakPolarHBondContact O-CA 3.29Å; V925-A928 WeakPolarHBondContact O-CB 3.18Å; V925-A928 PolarHBondContact O-N 3.34Å; G926-A928 VanDerWaalsContact C-N 3.33Å; G926-A928 PolarHBondContact O-N 3.37Å; A928-M930 VanDerWaalsContact C-N 3.32Å; A928-M930 PolarHBondContact O-N 3.13Å; A928-L931 WeakPolarHBondContact O-CA 3.49Å; A928-L931 WeakPolarHBondContact O-CB 3.33Å; A928-L931 PolarHBondContact O-N 2.82Å; A928-M932 WeakPolarHBondContact O-CG 3.47Å; A928-M932 PolarHBondContact O-N 2.89Å; A928-V974 HydrophobicContact CB-CG1 3.65Å; A928-F978 HydrophobicContact CB-CE2 3.81Å; A928-F978 HydrophobicContact CB-CZ 4.18Å |
| 929 | Q | 95.9 | Very high | 93.4 | Very high | 86 Ų | 86 | 52.2 Ų | 52.2 | 40% | 0.402 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.9 | -44.8 | 173.9 | -71 | 167.7 | -12.7 | 0 | 0 | 111.2 | E906 V925 L931 M932 S933 | E906-Q929 PolarHBondContact OE1-NE2 3.18Å; V925-Q929 HydrophobicContact CG1-CG 4.33Å; V925-Q929 WeakPolarHBondContact O-CG 3.15Å; V925-Q929 PolarHBondContact O-N 2.78Å; Q929-L931 VanDerWaalsContact C-N 3.34Å; Q929-L931 PolarHBondContact O-N 3.24Å; Q929-M932 PolarHBondContact O-N 3.43Å; Q929-S933 PolarHBondContact O-N 2.9Å; Q929-S933 PolarHBondContact O-OG 3.44Å |
| 930 | M | 96 | Very high | 94.2 | Very high | 105 Ų | 105 | 45.8 Ų | 45.8 | 52% | 0.517 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.4 | -32.2 | 173.8 | -74.8 | -77.3 | -79.1 | 0 | 0 | 113.5 | G926 A928 M932 Q934 | G926-M930 WeakPolarHBondContact O-CB 3.31Å; G926-M930 WeakPolarHBondContact O-CG 3.43Å; G926-M930 PolarHBondContact O-N 3.2Å; A928-M930 VanDerWaalsContact C-N 3.32Å; A928-M930 PolarHBondContact O-N 3.13Å; M930-M932 VanDerWaalsContact C-N 3.34Å; M930-Q934 VanDerWaalsContact CE-NE2 3.26Å; M930-Q934 VanDerWaalsContact O-CB 3.28Å; M930-Q934 WeakPolarHBondContact O-CB 3.38Å; M930-Q934 WeakPolarHBondContact O-CG 3.28Å; M930-Q934 PolarHBondContact O-N 3.16Å; M930-Q934 VanDerWaalsContact O-N 3.17Å |
| 931 | L | 96.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.4 | -38.1 | 173.6 | -175 | 64.6 | 0 | 0 | 0 | 111.2 | M898 S927 A928 Q929 K935 V936 L967 N970 I971 V974 | M898-L931 HydrophobicContact SD-CD2 4.06Å; S927-L931 WeakPolarHBondContact O-CB 3.43Å; S927-L931 PolarHBondContact O-N 3.23Å; A928-L931 WeakPolarHBondContact O-CA 3.49Å; A928-L931 WeakPolarHBondContact O-CB 3.33Å; A928-L931 PolarHBondContact O-N 2.82Å; Q929-L931 VanDerWaalsContact C-N 3.34Å; Q929-L931 PolarHBondContact O-N 3.24Å; L931-K935 HydrophobicContact CD1-CB 3.74Å; L931-K935 HydrophobicContact CD1-CG 3.9Å; L931-K935 WeakPolarHBondContact O-CA 3.47Å; L931-K935 PolarHBondContact O-N 2.92Å; L931-V936 PolarHBondContact O-N 2.8Å; L931-V936 VanDerWaalsContact O-N 3.08Å; L931-L967 HydrophobicContact CD1-CD1 4.31Å; L931-N970 HydrophobicContact CD1-CB 3.46Å; L931-N970 VanDerWaalsContact CD1-CB 3.46Å; L931-N970 HydrophobicContact CD2-CB 3.94Å; L931-N970 HydrophobicContact CG-CB 4.38Å; L931-I971 HydrophobicContact CD2-CG1 3.96Å; L931-V974 HydrophobicContact CD2-CB 4.47Å; L931-V974 HydrophobicContact CD2-CG2 3.86Å |
| 932 | M | 95.8 | Very high | 94.9 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -72.2 | -52 | 179.1 | -64.6 | -172.7 | -62.3 | 0 | 0 | 111.6 | F479 V895 M898 E899 A928 Q929 M930 Q934 V936 Q937 | F479-M932 HydrophobicContact CE1-CB 4.49Å; F479-M932 HydrophobicContact CZ-CB 4.09Å; V895-M932 HydrophobicContact CG1-SD 4.21Å; M898-M932 HydrophobicContact CB-CE 4.48Å; M898-M932 HydrophobicContact CB-SD 3.68Å; M898-M932 HydrophobicContact CE-CG 3.82Å; M898-M932 HydrophobicContact CE-SD 4.09Å; M898-M932 HydrophobicContact SD-CG 4.41Å; E899-M932 HydrophobicContact CG-CE 3.96Å; E899-M932 HydrophobicContact CG-SD 3.93Å; A928-M932 WeakPolarHBondContact O-CG 3.47Å; A928-M932 PolarHBondContact O-N 2.89Å; Q929-M932 PolarHBondContact O-N 3.43Å; M930-M932 VanDerWaalsContact C-N 3.34Å; M932-Q934 PolarHBondContact O-N 2.83Å; M932-V936 HydrophobicContact CB-CG2 4.48Å; M932-V936 HydrophobicContact CG-CG2 4.24Å; M932-V936 WeakPolarHBondContact O-CB 3.47Å; M932-Q937 PolarHBondContact O-N 3.41Å |
| 933 | S | 94.9 | Very high | 95.1 | Very high | 36 Ų | 36 | 42 Ų | 42 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -63.5 | -26.7 | 178.8 | 66.2 | 0 | 0 | 0 | 0 | 113.7 | Q929 Q937 | Q929-S933 PolarHBondContact O-N 2.9Å; Q929-S933 PolarHBondContact O-OG 3.44Å; S933-Q937 WeakPolarHBondContact O-CB 3.35Å; S933-Q937 WeakPolarHBondContact O-CG 3.28Å; S933-Q937 PolarHBondContact O-NE2 3.15Å; S933-Q937 PolarHBondContact O-OE1 2.86Å |
| 934 | Q | 94.2 | Very high | 95.1 | Very high | 93 Ų | 93 | 41.3 Ų | 41.3 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -103.7 | -56.9 | -179.2 | -58.1 | -170 | 5.4 | 0 | 0 | 114.6 | M930 M932 Q938 | M930-Q934 VanDerWaalsContact CE-NE2 3.26Å; M930-Q934 VanDerWaalsContact O-CB 3.28Å; M930-Q934 WeakPolarHBondContact O-CB 3.38Å; M930-Q934 WeakPolarHBondContact O-CG 3.28Å; M930-Q934 PolarHBondContact O-N 3.16Å; M930-Q934 VanDerWaalsContact O-N 3.17Å; M932-Q934 PolarHBondContact O-N 2.83Å; Q934-Q938 VanDerWaalsContact O-CB 3.32Å; Q934-Q938 WeakPolarHBondContact O-CB 3.14Å; Q934-Q938 WeakPolarHBondContact O-CG 3.2Å; Q934-Q938 PolarHBondContact O-N 3.38Å; Q934-Q938 VanDerWaalsContact O-N 3.16Å |
| 935 | K | 94.6 | Very high | 95.1 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 34% | 0.335 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -93.3 | -35.1 | -167.4 | -62.6 | -70 | 164.4 | -162.9 | 0 | 113.5 | L931 F939 L967 | L931-K935 HydrophobicContact CD1-CB 3.74Å; L931-K935 HydrophobicContact CD1-CG 3.9Å; L931-K935 WeakPolarHBondContact O-CA 3.47Å; L931-K935 PolarHBondContact O-N 2.92Å; K935-F939 WeakPolarHBondContact O-CB 3.29Å; K935-F939 PolarHBondContact O-N 2.93Å; K935-L967 HydrophobicContact CB-CD1 3.7Å |
| 936 | V | 96 | Very high | 94.9 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -63.2 | -50.5 | 167.6 | 165.4 | 0 | 0 | 0 | 0 | 109.5 | L891 V895 M898 L931 M932 Q938 F939 F940 L967 | L891-V936 HydrophobicContact CD1-CB 4.17Å; L891-V936 HydrophobicContact CD1-CG1 3.78Å; L891-V936 HydrophobicContact CD1-CG2 3.98Å; L891-V936 HydrophobicContact CD2-CG1 4Å; L891-V936 HydrophobicContact CG-CG1 3.98Å; V895-V936 HydrophobicContact CG2-CB 4.3Å; V895-V936 HydrophobicContact CG2-CG1 3.36Å; V895-V936 HydrophobicContact CG2-CG2 4.01Å; M898-V936 HydrophobicContact CE-CG2 4.04Å; L931-V936 PolarHBondContact O-N 2.8Å; L931-V936 VanDerWaalsContact O-N 3.08Å; M932-V936 HydrophobicContact CB-CG2 4.48Å; M932-V936 HydrophobicContact CG-CG2 4.24Å; M932-V936 WeakPolarHBondContact O-CB 3.47Å; V936-Q938 VanDerWaalsContact C-N 3.32Å; V936-Q938 PolarHBondContact O-N 3.49Å; V936-F939 CarbonylContact O-C 3.58Å; V936-F939 PolarHBondContact O-N 3.17Å; V936-F940 WeakPolarHBondContact O-CB 3.44Å; V936-F940 PolarHBondContact O-N 3.24Å; V936-L967 HydrophobicContact CG2-CD1 4.27Å; V936-L967 HydrophobicContact CG2-CD2 4.46Å |
| 937 | Q | 95.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.6 | -37.8 | 176.2 | -73.5 | -167 | 14.3 | 0 | 0 | 114.1 | F479 M932 S933 R941 | F479-Q937 HydrophobicContact CD2-CG 4.35Å; F479-Q937 HydrophobicContact CE2-CG 4.23Å; M932-Q937 PolarHBondContact O-N 3.41Å; S933-Q937 WeakPolarHBondContact O-CB 3.35Å; S933-Q937 WeakPolarHBondContact O-CG 3.28Å; S933-Q937 PolarHBondContact O-NE2 3.15Å; S933-Q937 PolarHBondContact O-OE1 2.86Å; Q937-R941 PolarHBondContact O-N 3.33Å |
| 938 | Q | 95 | Very high | 94.4 | Very high | 76 Ų | 76 | 50 Ų | 50 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 173.6 | -81.3 | 169.9 | 6.6 | 0 | 0 | 111.4 | Q934 V936 L942 F963 | Q934-Q938 VanDerWaalsContact O-CB 3.32Å; Q934-Q938 WeakPolarHBondContact O-CB 3.14Å; Q934-Q938 WeakPolarHBondContact O-CG 3.2Å; Q934-Q938 PolarHBondContact O-N 3.38Å; Q934-Q938 VanDerWaalsContact O-N 3.16Å; V936-Q938 VanDerWaalsContact C-N 3.32Å; V936-Q938 PolarHBondContact O-N 3.49Å; Q938-L942 WeakPolarHBondContact O-CG 3.47Å; Q938-L942 PolarHBondContact O-N 3.41Å; Q938-F963 HydrophobicContact CB-CZ 3.86Å |
| 939 | F | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72 | -38.6 | 177.9 | -169.9 | -120.8 | 0 | 0 | 0 | 113.3 | F887 L891 K935 V936 R941 L942 C943 L960 F963 W964 L967 | F887-F939 HydrophobicContact CB-CE1 3.86Å; F887-F939 HydrophobicContact CB-CZ 3.7Å; F887-F939 HydrophobicContact CD1-CE1 4.18Å; F887-F939 AromaticContact CD1-CZ 3.71Å; F887-F939 HydrophobicContact CD1-CZ 3.71Å; F887-F939 HydrophobicContact CD2-CZ 4.44Å; F887-F939 HydrophobicContact CE1-CZ 4.43Å; F887-F939 HydrophobicContact CG-CE1 4.27Å; F887-F939 AromaticContact CG-CZ 3.72Å; F887-F939 HydrophobicContact CG-CZ 3.72Å; L891-F939 HydrophobicContact CB-CD1 4.38Å; L891-F939 HydrophobicContact CD1-CD1 3.89Å; L891-F939 HydrophobicContact CD2-CD1 3.95Å; L891-F939 HydrophobicContact CG-CD1 4.29Å; K935-F939 WeakPolarHBondContact O-CB 3.29Å; K935-F939 PolarHBondContact O-N 2.93Å; V936-F939 CarbonylContact O-C 3.58Å; V936-F939 PolarHBondContact O-N 3.17Å; F939-R941 PolarHBondContact O-N 2.87Å; F939-L942 PolarHBondContact O-N 2.91Å; F939-C943 VanDerWaalsContact CE1-SG 3.6Å; F939-C943 VanDerWaalsContact CZ-SG 3.56Å; F939-C943 PolarHBondContact O-N 2.99Å; F939-C943 PolarHBondContact O-SG 2.87Å; F939-L960 HydrophobicContact CE2-CB 4.26Å; F939-L960 HydrophobicContact CE2-CD2 4.25Å; F939-L960 WeakPolarHBondContact CE2-O 3.32Å; F939-F963 HydrophobicContact CB-CD1 3.79Å; F939-F963 HydrophobicContact CB-CE1 3.73Å; F939-F963 HydrophobicContact CD2-CB 3.88Å; F939-F963 AromaticContact CD2-CD1 3.4Å; F939-F963 HydrophobicContact CD2-CD1 3.4Å; F939-F963 VanDerWaalsContact CD2-CD1 3.4Å; F939-F963 HydrophobicContact CD2-CE1 4.22Å; F939-F963 AromaticContact CD2-CG 3.87Å; F939-F963 HydrophobicContact CD2-CG 3.87Å; F939-F963 HydrophobicContact CE2-CB 4.04Å; F939-F963 HydrophobicContact CE2-CD1 4.31Å; F939-F963 AromaticContact CG-CD1 3.9Å; F939-F963 HydrophobicContact CG-CD1 3.9Å; F939-F963 HydrophobicContact CG-CE1 4.35Å; F939-W964 AromaticContact CD1-CE3 3.99Å; F939-W964 HydrophobicContact CD1-CE3 3.99Å; F939-W964 HydrophobicContact CD1-CZ3 4.45Å; F939-W964 HydrophobicContact CE1-CB 4.41Å; F939-W964 HydrophobicContact CE1-CD2 4.32Å; F939-W964 AromaticContact CE1-CE3 3.46Å; F939-W964 HydrophobicContact CE1-CE3 3.46Å; F939-W964 VanDerWaalsContact CE1-CE3 3.46Å; F939-W964 HydrophobicContact CE1-CZ3 4.14Å; F939-W964 HydrophobicContact CE2-CB 4.2Å; F939-W964 HydrophobicContact CZ-CB 3.79Å; F939-W964 HydrophobicContact CZ-CE3 4.03Å; F939-W964 HydrophobicContact CZ-CG 4.47Å; F939-L967 HydrophobicContact CB-CD2 3.82Å; F939-L967 HydrophobicContact CD1-CD2 3.82Å; F939-L967 HydrophobicContact CG-CD2 3.96Å |
| 940 | F | 95.7 | Very high | 93.3 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.5 | -51.7 | 175.2 | 178.3 | -110.3 | 0 | 0 | 0 | 111 | F471 L888 L891 V936 L942 C943 Q944 | F471-F940 AromaticContact CD1-CD2 3.8Å; F471-F940 HydrophobicContact CD1-CD2 3.8Å; F471-F940 AromaticContact CD1-CE2 3.31Å; F471-F940 HydrophobicContact CD1-CE2 3.31Å; F471-F940 AromaticContact CD1-CZ 3.73Å; F471-F940 HydrophobicContact CD1-CZ 3.73Å; F471-F940 HydrophobicContact CE1-CD1 4.43Å; F471-F940 AromaticContact CE1-CD2 3.32Å; F471-F940 HydrophobicContact CE1-CD2 3.32Å; F471-F940 HydrophobicContact CE1-CE1 4.45Å; F471-F940 AromaticContact CE1-CE2 3.38Å; F471-F940 HydrophobicContact CE1-CE2 3.38Å; F471-F940 AromaticContact CE1-CG 3.91Å; F471-F940 HydrophobicContact CE1-CG 3.91Å; F471-F940 AromaticContact CE1-CZ 3.97Å; F471-F940 HydrophobicContact CE1-CZ 3.97Å; F471-F940 HydrophobicContact CG-CE2 4.49Å; F471-F940 HydrophobicContact CZ-CD2 4.28Å; L888-F940 HydrophobicContact CD2-CD2 3.3Å; L888-F940 HydrophobicContact CD2-CE2 3.55Å; L888-F940 HydrophobicContact CD2-CG 4.35Å; L891-F940 HydrophobicContact CD2-CB 3.86Å; L891-F940 HydrophobicContact CD2-CD2 4.42Å; V936-F940 WeakPolarHBondContact O-CB 3.44Å; V936-F940 PolarHBondContact O-N 3.24Å; F940-L942 PolarHBondContact O-N 3.39Å; F940-C943 WeakPolarHBondContact O-CB 3.37Å; F940-C943 PolarHBondContact O-N 3.25Å; F940-C943 VanDerWaalsContact O-N 3.08Å; F940-Q944 HydrophobicContact CE1-CG 4.18Å; F940-Q944 VanDerWaalsContact CE1-NE2 3.27Å; F940-Q944 HydrophobicContact CE2-CG 4.4Å; F940-Q944 HydrophobicContact CZ-CG 4.11Å; F940-Q944 VanDerWaalsContact CZ-NE2 3.34Å; F940-Q944 PolarHBondContact O-N 3.27Å |
| 941 | R | 94.6 | Very high | 92.8 | Very high | 135 Ų | 135 | 52.3 Ų | 52.3 | 51% | 0.509 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 176.9 | -74.7 | -173.1 | -76.6 | 177.5 | -13.5 | 113.2 | Q937 F939 C943 Q944 Q945 | Q937-R941 PolarHBondContact O-N 3.33Å; F939-R941 PolarHBondContact O-N 2.87Å; R941-C943 VanDerWaalsContact C-N 3.33Å; R941-Q944 PolarHBondContact O-N 3.37Å; R941-Q945 WeakPolarHBondContact O-CB 3.29Å; R941-Q945 WeakPolarHBondContact O-CG 3.43Å; R941-Q945 PolarHBondContact O-N 3.21Å |
| 942 | L | 94.2 | Very high | 91.8 | Very high | 48 Ų | 48 | 62.1 Ų | 62.1 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64 | -37.7 | 172.6 | -73.7 | 168.6 | 0 | 0 | 0 | 112 | Q938 F939 F940 S946 P955 L960 F963 | Q938-L942 WeakPolarHBondContact O-CG 3.47Å; Q938-L942 PolarHBondContact O-N 3.41Å; F939-L942 PolarHBondContact O-N 2.91Å; F940-L942 PolarHBondContact O-N 3.39Å; L942-S946 PolarHBondContact O-N 3.37Å; L942-P955 HydrophobicContact CD2-CG 4.01Å; L942-L960 HydrophobicContact CB-CD2 4.04Å; L942-F963 HydrophobicContact CD1-CD2 3.51Å; L942-F963 HydrophobicContact CD1-CE2 3.72Å; L942-F963 HydrophobicContact CD1-CG 3.97Å; L942-F963 HydrophobicContact CD1-CZ 4.34Å |
| 943 | C | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.1 | -45.9 | 175.5 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | L888 F939 F940 R941 Q945 S946 I947 | L888-C943 HydrophobicContact CD2-CB 3.56Å; L888-C943 HydrophobicContact CG-CB 3.75Å; F939-C943 VanDerWaalsContact CE1-SG 3.6Å; F939-C943 VanDerWaalsContact CZ-SG 3.56Å; F939-C943 PolarHBondContact O-N 2.99Å; F939-C943 PolarHBondContact O-SG 2.87Å; F940-C943 WeakPolarHBondContact O-CB 3.37Å; F940-C943 PolarHBondContact O-N 3.25Å; F940-C943 VanDerWaalsContact O-N 3.08Å; R941-C943 VanDerWaalsContact C-N 3.33Å; C943-Q945 PolarHBondContact O-N 2.95Å; C943-S946 PolarHBondContact O-N 3.09Å; C943-S946 VanDerWaalsContact O-N 3.09Å; C943-S946 PolarHBondContact O-OG 3.45Å; C943-I947 WeakPolarHBondContact O-CG1 3.36Å; C943-I947 PolarHBondContact O-N 3.05Å |
| 944 | Q | 93.1 | Very high | 90.8 | Very high | 53 Ų | 53 | 69.7 Ų | 69.7 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.7 | -49.3 | 172.2 | -70.9 | 177.9 | -49.2 | 0 | 0 | 111.4 | E472 F940 R941 S946 I947 D948 | E472-Q944 PolarHBondContact OE1-NE2 2.99Å; F940-Q944 HydrophobicContact CE1-CG 4.18Å; F940-Q944 VanDerWaalsContact CE1-NE2 3.27Å; F940-Q944 HydrophobicContact CE2-CG 4.4Å; F940-Q944 HydrophobicContact CZ-CG 4.11Å; F940-Q944 VanDerWaalsContact CZ-NE2 3.34Å; F940-Q944 PolarHBondContact O-N 3.27Å; R941-Q944 PolarHBondContact O-N 3.37Å; Q944-S946 PolarHBondContact O-N 2.75Å; Q944-I947 PolarHBondContact O-N 2.9Å; Q944-D948 PolarHBondContact O-N 3.24Å |
| 945 | Q | 92.9 | Very high | 90.6 | Very high | 91 Ų | 91 | 66 Ų | 66 | 43% | 0.425 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.7 | -22.4 | 177.2 | -74.6 | 171.4 | -8.8 | 0 | 0 | 114.2 | R941 C943 A951 P955 | R941-Q945 WeakPolarHBondContact O-CB 3.29Å; R941-Q945 WeakPolarHBondContact O-CG 3.43Å; R941-Q945 PolarHBondContact O-N 3.21Å; C943-Q945 PolarHBondContact O-N 2.95Å; Q945-A951 HydrophobicContact CB-CB 4.32Å; Q945-A951 VanDerWaalsContact O-CB 3.31Å; Q945-A951 WeakPolarHBondContact O-CB 3.47Å; Q945-P955 HydrophobicContact CB-CG 3.9Å; Q945-P955 WeakPolarHBondContact O-CD 3.4Å |
| 946 | S | 90.8 | Very high | 90.4 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 12% | 0.119 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -80.3 | -27.8 | 173.8 | 77 | 0 | 0 | 0 | 0 | 113.1 | G884 L942 C943 Q944 Q954 L960 | G884-S946 VanDerWaalsContact CA-OG 3.29Å; G884-S946 WeakPolarHBondContact CA-OG 3.11Å; L942-S946 PolarHBondContact O-N 3.37Å; C943-S946 PolarHBondContact O-N 3.09Å; C943-S946 VanDerWaalsContact O-N 3.09Å; C943-S946 PolarHBondContact O-OG 3.45Å; Q944-S946 PolarHBondContact O-N 2.75Å; S946-Q954 PolarHBondContact O-NE2 3.17Å; S946-L960 WeakPolarHBondContact OG-CD1 3.41Å |
| 947 | I | 91.2 | Very high | 90.1 | Very high | 69 Ų | 69 | 68.7 Ų | 68.7 | 35% | 0.354 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -81.3 | -38.7 | 179.2 | -61.6 | 162.5 | 0 | 0 | 0 | 110.1 | E885 L888 C943 Q944 P949 | E885-I947 HydrophobicContact CG-CD1 4.04Å; E885-I947 HydrophobicContact CG-CG1 4.38Å; L888-I947 HydrophobicContact CD1-CD1 3.56Å; L888-I947 HydrophobicContact CG-CD1 4.42Å; C943-I947 WeakPolarHBondContact O-CG1 3.36Å; C943-I947 PolarHBondContact O-N 3.05Å; Q944-I947 PolarHBondContact O-N 2.9Å; I947-P949 VanDerWaalsContact O-CD 3.27Å; I947-P949 WeakPolarHBondContact O-CD 3.4Å |
| 948 | D | 87.3 | Confident | 89.9 | Confident | 66 Ų | 66 | 72.5 Ų | 72.5 | 35% | 0.353 | 38% | 0.378 | S | S | . | . | | | trans | -65 | 113.3 | 175.4 | 177.6 | 8.7 | 0 | 0 | 0 | 111.4 | Q944 S950 A951 | Q944-D948 PolarHBondContact O-N 3.24Å; D948-S950 VanDerWaalsContact CG-OG 3.29Å; D948-S950 PolarHBondContact O-N 3.03Å; D948-S950 WeakPolarHBondContact OD1-CA 3.31Å; D948-S950 WeakPolarHBondContact OD1-CB 3.35Å; D948-S950 PolarHBondContact OD1-N 3.02Å; D948-S950 PolarHBondContact OD1-OG 3.24Å; D948-S950 PolarHBondContact OD2-OG 2.98Å; D948-A951 HydrophobicContact CB-CB 4.11Å; D948-A951 PolarHBondContact O-N 3.08Å |
| 949 | P | 83.3 | Confident | 89.8 | Confident | 122 Ų | 122 | 72.8 Ų | 72.8 | 79% | 0.792 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -4.4 | 179.1 | 34 | -37 | 0 | 0 | 0 | 113.4 | I947 | I947-P949 VanDerWaalsContact O-CD 3.27Å; I947-P949 WeakPolarHBondContact O-CD 3.4Å |
| 950 | S | 87.6 | Confident | 89.7 | Confident | 96 Ų | 96 | 72.9 Ų | 72.9 | 67% | 0.671 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -11.3 | 176.2 | 76.6 | 0 | 0 | 0 | 0 | 113.9 | D948 | D948-S950 VanDerWaalsContact CG-OG 3.29Å; D948-S950 PolarHBondContact O-N 3.03Å; D948-S950 WeakPolarHBondContact OD1-CA 3.31Å; D948-S950 WeakPolarHBondContact OD1-CB 3.35Å; D948-S950 PolarHBondContact OD1-N 3.02Å; D948-S950 PolarHBondContact OD1-OG 3.24Å; D948-S950 PolarHBondContact OD2-OG 2.98Å |
| 951 | A | 86 | Confident | 89.6 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | | | trans | -67.5 | 134 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q945 D948 Q954 | Q945-A951 HydrophobicContact CB-CB 4.32Å; Q945-A951 VanDerWaalsContact O-CB 3.31Å; Q945-A951 WeakPolarHBondContact O-CB 3.47Å; D948-A951 HydrophobicContact CB-CB 4.11Å; D948-A951 PolarHBondContact O-N 3.08Å; A951-Q954 PolarHBondContact O-N 2.87Å |
| 952 | Y | 74.8 | Confident | 89.6 | Confident | 220 Ų | 220 | 68.8 Ų | 68.8 | 86% | 0.863 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -137.8 | 128.7 | 176.1 | -173.2 | -91.5 | 0 | 0 | 0 | 112.2 | | |
| 953 | P | 83.9 | Confident | 89.6 | Confident | 101 Ų | 101 | 69 Ų | 69 | 66% | 0.656 | 38% | 0.377 | S | S | * | . | S | Bend | cis | -70.6 | 133.9 | -7.1 | 30.5 | -34.5 | 0 | 0 | 0 | 111.4 | P955 | P953-P955 WeakPolarHBondContact O-CD 3.43Š|
| 954 | Q | 85.8 | Confident | 89.7 | Confident | 105 Ų | 105 | 70 Ų | 70 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 124.5 | 176.3 | -166.5 | -176.8 | 17.8 | 0 | 0 | 110 | S946 A951 T956 | S946-Q954 PolarHBondContact O-NE2 3.17Å; A951-Q954 PolarHBondContact O-N 2.87Å; Q954-T956 PolarHBondContact O-N 3.46Å |
| 955 | P | 89.6 | Confident | 89.9 | Confident | 16 Ų | 16 | 72.2 Ų | 72.2 | 10% | 0.104 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 129.9 | 174.5 | -20.9 | 33.6 | 0 | 0 | 0 | 111 | L942 Q945 P953 L960 | L942-P955 HydrophobicContact CD2-CG 4.01Å; Q945-P955 HydrophobicContact CB-CG 3.9Å; Q945-P955 WeakPolarHBondContact O-CD 3.4Å; P953-P955 WeakPolarHBondContact O-CD 3.43Å; P955-L960 HydrophobicContact CB-CD2 4.24Å |
| 956 | T | 90.1 | Very high | 90 | Very high | 73 Ų | 73 | 73 Ų | 73 | 45% | 0.448 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 158 | 176.3 | 75 | 0 | 0 | 0 | 0 | 111.1 | Q954 Q958 D959 L960 | Q954-T956 PolarHBondContact O-N 3.46Å; T956-Q958 PolarHBondContact O-N 2.91Å; T956-Q958 VanDerWaalsContact O-N 3.09Å; T956-Q958 PolarHBondContact OG1-N 3.17Å; T956-D959 VanDerWaalsContact CB-OD2 3.26Å; T956-D959 WeakPolarHBondContact CB-OD2 3.46Å; T956-D959 WeakPolarHBondContact CG2-OD2 3.41Å; T956-D959 PolarHBondContact N-OD2 2.88Å; T956-D959 WeakPolarHBondContact O-CB 3.09Å; T956-D959 PolarHBondContact O-N 2.79Å; T956-D959 VanDerWaalsContact OG1-CG 3.22Å; T956-D959 PolarHBondContact OG1-N 3.22Å; T956-D959 PolarHBondContact OG1-OD2 3.23Å; T956-L960 PolarHBondContact O-N 3.01Å |
| 957 | S | 89.8 | Confident | 90.2 | Very high | 62 Ų | 62 | 72.3 Ų | 72.3 | 43% | 0.434 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55.8 | -25.2 | 171.8 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | R882 A961 | R882-S957 WeakPolarHBondContact O-CB 3.4Å; S957-A961 WeakPolarHBondContact O-CB 3.49Å; S957-A961 PolarHBondContact O-N 3.31Å |
| 958 | Q | 91.6 | Very high | 90.5 | Very high | 134 Ų | 134 | 71.9 Ų | 71.9 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -77.5 | -35.3 | 174.4 | -175.3 | 57.3 | 56.9 | 0 | 0 | 112.3 | T956 S962 | T956-Q958 PolarHBondContact O-N 2.91Å; T956-Q958 VanDerWaalsContact O-N 3.09Å; T956-Q958 PolarHBondContact OG1-N 3.17Å; Q958-S962 WeakPolarHBondContact O-CB 3.4Å; Q958-S962 PolarHBondContact O-N 3.19Å |
| 959 | D | 92.9 | Very high | 90.9 | Very high | 83 Ų | 83 | 72 Ų | 72 | 44% | 0.444 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.1 | -46.1 | 173.6 | -56.8 | -54.5 | 0 | 0 | 0 | 110 | T956 A961 S962 F963 | T956-D959 VanDerWaalsContact CB-OD2 3.26Å; T956-D959 WeakPolarHBondContact CB-OD2 3.46Å; T956-D959 WeakPolarHBondContact CG2-OD2 3.41Å; T956-D959 PolarHBondContact N-OD2 2.88Å; T956-D959 WeakPolarHBondContact O-CB 3.09Å; T956-D959 PolarHBondContact O-N 2.79Å; T956-D959 VanDerWaalsContact OG1-CG 3.22Å; T956-D959 PolarHBondContact OG1-N 3.22Å; T956-D959 PolarHBondContact OG1-OD2 3.23Å; D959-A961 PolarHBondContact O-N 3.21Å; D959-S962 PolarHBondContact O-N 3.28Å; D959-S962 VanDerWaalsContact O-N 3.1Å; D959-S962 PolarHBondContact O-OG 3.25Å; D959-F963 PolarHBondContact O-N 3.49Å |
| 960 | L | 94.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.3 | -48.4 | 173.2 | -61.9 | -179.5 | 0 | 0 | 0 | 111.6 | F887 F939 L942 S946 P955 T956 S962 F963 W964 | F887-L960 HydrophobicContact CD2-CB 3.61Å; F887-L960 HydrophobicContact CD2-CD1 3.76Å; F887-L960 HydrophobicContact CD2-CG 4.34Å; F887-L960 HydrophobicContact CE2-CB 3.53Å; F887-L960 HydrophobicContact CE2-CD1 4.28Å; F887-L960 HydrophobicContact CG-CB 4.46Å; F887-L960 HydrophobicContact CZ-CB 4.38Å; F939-L960 HydrophobicContact CE2-CB 4.26Å; F939-L960 HydrophobicContact CE2-CD2 4.25Å; F939-L960 WeakPolarHBondContact CE2-O 3.32Å; L942-L960 HydrophobicContact CB-CD2 4.04Å; S946-L960 WeakPolarHBondContact OG-CD1 3.41Å; P955-L960 HydrophobicContact CB-CD2 4.24Å; T956-L960 PolarHBondContact O-N 3.01Å; L960-S962 VanDerWaalsContact C-N 3.28Å; L960-S962 PolarHBondContact O-N 3.09Å; L960-F963 PolarHBondContact O-N 2.84Å; L960-W964 WeakPolarHBondContact O-CB 3.44Å; L960-W964 PolarHBondContact O-N 2.84Å |
| 961 | A | 94.1 | Very high | 91.9 | Very high | 9 Ų | 9 | 64.5 Ų | 64.5 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F887 S957 D959 W964 D965 | F887-A961 HydrophobicContact CE2-CB 4.49Å; F887-A961 HydrophobicContact CZ-CB 3.92Å; S957-A961 WeakPolarHBondContact O-CB 3.49Å; S957-A961 PolarHBondContact O-N 3.31Å; D959-A961 PolarHBondContact O-N 3.21Å; A961-W964 PolarHBondContact O-N 2.84Å; A961-D965 PolarHBondContact O-N 3.21Å |
| 962 | S | 94.3 | Very high | 92.4 | Very high | 57 Ų | 57 | 67 Ų | 67 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.1 | -36.6 | 177.9 | 80 | 0 | 0 | 0 | 0 | 113.1 | Q958 D959 L960 L966 | Q958-S962 WeakPolarHBondContact O-CB 3.4Å; Q958-S962 PolarHBondContact O-N 3.19Å; D959-S962 PolarHBondContact O-N 3.28Å; D959-S962 VanDerWaalsContact O-N 3.1Å; D959-S962 PolarHBondContact O-OG 3.25Å; L960-S962 VanDerWaalsContact C-N 3.28Å; L960-S962 PolarHBondContact O-N 3.09Å; S962-L966 WeakPolarHBondContact O-CD1 3.32Å; S962-L966 PolarHBondContact O-N 2.87Å |
| 963 | F | 95.2 | Very high | 93.4 | Very high | 51 Ų | 51 | 59.5 Ų | 59.5 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.2 | -39.2 | 174.6 | -160.6 | -71.9 | 0 | 0 | 0 | 110.7 | Q938 F939 L942 D959 L960 L966 L967 | Q938-F963 HydrophobicContact CB-CZ 3.86Å; F939-F963 HydrophobicContact CB-CD1 3.79Å; F939-F963 HydrophobicContact CB-CE1 3.73Å; F939-F963 HydrophobicContact CD2-CB 3.88Å; F939-F963 AromaticContact CD2-CD1 3.4Å; F939-F963 HydrophobicContact CD2-CD1 3.4Å; F939-F963 VanDerWaalsContact CD2-CD1 3.4Å; F939-F963 HydrophobicContact CD2-CE1 4.22Å; F939-F963 AromaticContact CD2-CG 3.87Å; F939-F963 HydrophobicContact CD2-CG 3.87Å; F939-F963 HydrophobicContact CE2-CB 4.04Å; F939-F963 HydrophobicContact CE2-CD1 4.31Å; F939-F963 AromaticContact CG-CD1 3.9Å; F939-F963 HydrophobicContact CG-CD1 3.9Å; F939-F963 HydrophobicContact CG-CE1 4.35Å; L942-F963 HydrophobicContact CD1-CD2 3.51Å; L942-F963 HydrophobicContact CD1-CE2 3.72Å; L942-F963 HydrophobicContact CD1-CG 3.97Å; L942-F963 HydrophobicContact CD1-CZ 4.34Å; D959-F963 PolarHBondContact O-N 3.49Å; L960-F963 PolarHBondContact O-N 2.84Å; F963-L966 CarbonylContact O-C 3.57Å; F963-L966 WeakPolarHBondContact O-CB 3.42Å; F963-L966 PolarHBondContact O-N 3.28Å; F963-L967 HydrophobicContact CD1-CB 4.49Å; F963-L967 WeakPolarHBondContact O-CB 3.26Å; F963-L967 PolarHBondContact O-N 3.3Å |
| 964 | W | 96 | Very high | 93.9 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 174.5 | 179.4 | -106.3 | 0 | 0 | 0 | 112.3 | F887 L890 L891 E894 F939 L960 A961 L966 L967 Q968 | F887-W964 HydrophobicContact CD1-CB 4.11Å; F887-W964 HydrophobicContact CD1-CD2 4.27Å; F887-W964 HydrophobicContact CD1-CG 4.01Å; F887-W964 HydrophobicContact CE1-CB 3.7Å; F887-W964 AromaticContact CE1-CD1 3.9Å; F887-W964 HydrophobicContact CE1-CD2 4.36Å; F887-W964 AromaticContact CE1-CG 3.67Å; F887-W964 HydrophobicContact CE1-CG 3.67Å; F887-W964 HydrophobicContact CZ-CB 4.44Å; L890-W964 HydrophobicContact CD1-CZ2 4.29Å; L890-W964 HydrophobicContact CD2-CD2 4.38Å; L890-W964 HydrophobicContact CD2-CH2 4.19Å; L890-W964 HydrophobicContact CD2-CZ2 3.44Å; L890-W964 VanDerWaalsContact CD2-CZ2 3.44Å; L890-W964 HydrophobicContact CG-CH2 3.79Å; L890-W964 HydrophobicContact CG-CZ2 3.47Å; L890-W964 VanDerWaalsContact CG-CZ2 3.47Å; L891-W964 HydrophobicContact CB-CZ3 4.44Å; L891-W964 HydrophobicContact CD1-CZ3 4.06Å; E894-W964 HydrophobicContact CB-CH2 4.2Å; E894-W964 HydrophobicContact CG-CH2 4.3Å; F939-W964 AromaticContact CD1-CE3 3.99Å; F939-W964 HydrophobicContact CD1-CE3 3.99Å; F939-W964 HydrophobicContact CD1-CZ3 4.45Å; F939-W964 HydrophobicContact CE1-CB 4.41Å; F939-W964 HydrophobicContact CE1-CD2 4.32Å; F939-W964 AromaticContact CE1-CE3 3.46Å; F939-W964 HydrophobicContact CE1-CE3 3.46Å; F939-W964 VanDerWaalsContact CE1-CE3 3.46Å; F939-W964 HydrophobicContact CE1-CZ3 4.14Å; F939-W964 HydrophobicContact CE2-CB 4.2Å; F939-W964 HydrophobicContact CZ-CB 3.79Å; F939-W964 HydrophobicContact CZ-CE3 4.03Å; F939-W964 HydrophobicContact CZ-CG 4.47Å; L960-W964 WeakPolarHBondContact O-CB 3.44Å; L960-W964 PolarHBondContact O-N 2.84Å; A961-W964 PolarHBondContact O-N 2.84Å; W964-L966 PolarHBondContact O-N 3.29Å; W964-L967 HydrophobicContact CE3-CD2 4.06Å; W964-L967 HydrophobicContact CZ3-CD2 4.06Å; W964-L967 PolarHBondContact O-N 2.83Å; W964-L967 VanDerWaalsContact O-N 3.14Å; W964-Q968 HydrophobicContact CD2-CG 4.09Å; W964-Q968 HydrophobicContact CG-CG 4.48Å; W964-Q968 HydrophobicContact CH2-CG 4.38Å; W964-Q968 HydrophobicContact CZ2-CG 3.68Å; W964-Q968 WeakPolarHBondContact O-CB 3.11Å; W964-Q968 WeakPolarHBondContact O-CG 3.42Å; W964-Q968 PolarHBondContact O-N 3.34Å |
| 965 | D | 96 | Very high | 94.4 | Very high | 99 Ų | 99 | 54.5 Ų | 54.5 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.5 | -36.1 | 174.5 | -78.5 | -8 | 0 | 0 | 0 | 111.7 | A961 L969 | A961-D965 PolarHBondContact O-N 3.21Å; D965-L969 WeakPolarHBondContact O-CG 3.32Å; D965-L969 PolarHBondContact O-N 3Å |
| 966 | L | 95.4 | Very high | 94.7 | Very high | 108 Ų | 108 | 55.9 Ų | 55.9 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -71 | -41.8 | 173.1 | -100.1 | 66.3 | 0 | 0 | 0 | 112.4 | S962 F963 W964 L969 N970 | S962-L966 WeakPolarHBondContact O-CD1 3.32Å; S962-L966 PolarHBondContact O-N 2.87Å; F963-L966 CarbonylContact O-C 3.57Å; F963-L966 WeakPolarHBondContact O-CB 3.42Å; F963-L966 PolarHBondContact O-N 3.28Å; W964-L966 PolarHBondContact O-N 3.29Å; L966-L969 PolarHBondContact O-N 3.04Å; L966-N970 PolarHBondContact O-N 3.19Å; L966-N970 PolarHBondContact O-ND2 2.98Å |
| 967 | L | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -47 | 178.9 | -177.9 | 56.8 | 0 | 0 | 0 | 110.5 | L891 L931 K935 V936 F939 F963 W964 L969 N970 I971 | L891-L967 HydrophobicContact CD1-CD2 3.64Å; L931-L967 HydrophobicContact CD1-CD1 4.31Å; K935-L967 HydrophobicContact CB-CD1 3.7Å; V936-L967 HydrophobicContact CG2-CD1 4.27Å; V936-L967 HydrophobicContact CG2-CD2 4.46Å; F939-L967 HydrophobicContact CB-CD2 3.82Å; F939-L967 HydrophobicContact CD1-CD2 3.82Å; F939-L967 HydrophobicContact CG-CD2 3.96Å; F963-L967 HydrophobicContact CD1-CB 4.49Å; F963-L967 WeakPolarHBondContact O-CB 3.26Å; F963-L967 PolarHBondContact O-N 3.3Å; W964-L967 HydrophobicContact CE3-CD2 4.06Å; W964-L967 HydrophobicContact CZ3-CD2 4.06Å; W964-L967 PolarHBondContact O-N 2.83Å; W964-L967 VanDerWaalsContact O-N 3.14Å; L967-L969 VanDerWaalsContact C-N 3.29Å; L967-L969 PolarHBondContact O-N 3.04Å; L967-N970 WeakPolarHBondContact O-CA 3.41Å; L967-N970 PolarHBondContact O-N 3.46Å; L967-I971 HydrophobicContact CD1-CD1 4.37Å; L967-I971 HydrophobicContact CD1-CG1 4.49Å; L967-I971 HydrophobicContact CG-CD1 3.8Å; L967-I971 HydrophobicContact CG-CG1 4.41Å; L967-I971 WeakPolarHBondContact O-CG1 3.2Å; L967-I971 PolarHBondContact O-N 3.11Å |
| 968 | Q | 96.1 | Very high | 95.1 | Very high | 60 Ų | 60 | 55.5 Ų | 55.5 | 28% | 0.28 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.1 | -37.3 | 175 | -82.8 | -75.7 | -47.6 | 0 | 0 | 113.2 | E894 W964 N970 I971 E972 | E894-Q968 PolarHBondContact OE2-NE2 3.25Å; W964-Q968 HydrophobicContact CD2-CG 4.09Å; W964-Q968 HydrophobicContact CG-CG 4.48Å; W964-Q968 HydrophobicContact CH2-CG 4.38Å; W964-Q968 HydrophobicContact CZ2-CG 3.68Å; W964-Q968 WeakPolarHBondContact O-CB 3.11Å; W964-Q968 WeakPolarHBondContact O-CG 3.42Å; W964-Q968 PolarHBondContact O-N 3.34Å; Q968-N970 VanDerWaalsContact C-N 3.31Å; Q968-N970 PolarHBondContact O-N 2.85Å; Q968-I971 HydrophobicContact CG-CD1 4.49Å; Q968-I971 PolarHBondContact O-N 3.01Å; Q968-E972 WeakPolarHBondContact O-CB 3.49Å; Q968-E972 PolarHBondContact O-N 3.21Å |
| 969 | L | 95.7 | Very high | 95.2 | Very high | 69 Ų | 69 | 52.9 Ų | 52.9 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 173.8 | -74.3 | 171.2 | 0 | 0 | 0 | 113 | D965 L966 L967 D973 | D965-L969 WeakPolarHBondContact O-CG 3.32Å; D965-L969 PolarHBondContact O-N 3Å; L966-L969 PolarHBondContact O-N 3.04Å; L967-L969 VanDerWaalsContact C-N 3.29Å; L967-L969 PolarHBondContact O-N 3.04Å; L969-D973 PolarHBondContact O-N 3.2Å; L969-D973 VanDerWaalsContact O-N 3.17Å |
| 970 | N | 95.5 | Very high | 95.1 | Very high | 58 Ų | 58 | 51.9 Ų | 51.9 | 31% | 0.31 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -77.8 | -37.4 | 176.7 | -65.6 | -89 | 0 | 0 | 0 | 111.5 | L931 L966 L967 Q968 E972 D973 V974 | L931-N970 HydrophobicContact CD1-CB 3.46Å; L931-N970 VanDerWaalsContact CD1-CB 3.46Å; L931-N970 HydrophobicContact CD2-CB 3.94Å; L931-N970 HydrophobicContact CG-CB 4.38Å; L966-N970 PolarHBondContact O-N 3.19Å; L966-N970 PolarHBondContact O-ND2 2.98Å; L967-N970 WeakPolarHBondContact O-CA 3.41Å; L967-N970 PolarHBondContact O-N 3.46Å; Q968-N970 VanDerWaalsContact C-N 3.31Å; Q968-N970 PolarHBondContact O-N 2.85Å; N970-E972 VanDerWaalsContact C-N 3.29Å; N970-E972 PolarHBondContact O-N 3.41Å; N970-D973 PolarHBondContact O-N 3.16Å; N970-V974 PolarHBondContact O-N 2.94Å |
| 971 | I | 96 | Very high | 95 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 172.6 | -63.8 | 156.3 | 0 | 0 | 0 | 110.1 | E894 M898 L931 L967 Q968 V974 R975 | E894-I971 HydrophobicContact CG-CD1 3.54Å; E894-I971 HydrophobicContact CG-CG1 4.29Å; E894-I971 HydrophobicContact CG-CG2 3.97Å; E894-I971 WeakPolarHBondContact OE1-CG2 3.32Å; M898-I971 HydrophobicContact CE-CG1 4.17Å; M898-I971 HydrophobicContact SD-CB 4.45Å; M898-I971 HydrophobicContact SD-CG1 3.96Å; M898-I971 HydrophobicContact SD-CG2 4.09Å; L931-I971 HydrophobicContact CD2-CG1 3.96Å; L967-I971 HydrophobicContact CD1-CD1 4.37Å; L967-I971 HydrophobicContact CD1-CG1 4.49Å; L967-I971 HydrophobicContact CG-CD1 3.8Å; L967-I971 HydrophobicContact CG-CG1 4.41Å; L967-I971 WeakPolarHBondContact O-CG1 3.2Å; L967-I971 PolarHBondContact O-N 3.11Å; Q968-I971 HydrophobicContact CG-CD1 4.49Å; Q968-I971 PolarHBondContact O-N 3.01Å; I971-V974 PolarHBondContact O-N 3.05Å; I971-R975 VanDerWaalsContact O-CB 3.32Å; I971-R975 WeakPolarHBondContact O-CB 3.36Å; I971-R975 PolarHBondContact O-N 3.24Å |
| 972 | E | 96.6 | Very high | 94.8 | Very high | 72 Ų | 72 | 54.7 Ų | 54.7 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 175.4 | -174.7 | 66.4 | -113.3 | 0 | 0 | 112 | Q968 N970 V974 R975 V976 | Q968-E972 WeakPolarHBondContact O-CB 3.49Å; Q968-E972 PolarHBondContact O-N 3.21Å; N970-E972 VanDerWaalsContact C-N 3.29Å; N970-E972 PolarHBondContact O-N 3.41Å; E972-V974 VanDerWaalsContact C-N 3.26Å; E972-V974 PolarHBondContact O-N 3.03Å; E972-R975 PolarHBondContact O-N 3.36Å; E972-R975 IonicContact OE1-CZ 3.69Å; E972-R975 IonicContact OE1-NE 3.51Å; E972-R975 PolarHBondContact OE1-NE 2.59Å; E972-R975 IonicContact OE1-NH2 2.73Å; E972-R975 PolarHBondContact OE1-NH2 2.92Å; E972-R975 IonicContact OE2-CZ 3.97Å; E972-R975 VanDerWaalsContact OE2-CZ 3.32Å; E972-R975 IonicContact OE2-NE 3.58Å; E972-R975 IonicContact OE2-NH2 2.67Å; E972-R975 PolarHBondContact OE2-NH2 3.45Å; E972-V976 WeakPolarHBondContact O-CG2 3.27Å; E972-V976 PolarHBondContact O-N 3.31Å |
| 973 | D | 95.4 | Very high | 94.5 | Very high | 63 Ų | 63 | 56.9 Ų | 56.9 | 34% | 0.337 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.3 | -32.6 | 175.2 | -80.9 | -29.2 | 0 | 0 | 0 | 112 | L969 N970 R977 R1066 | L969-D973 PolarHBondContact O-N 3.2Å; L969-D973 VanDerWaalsContact O-N 3.17Å; N970-D973 PolarHBondContact O-N 3.16Å; D973-R977 WeakPolarHBondContact O-CG 3.45Å; D973-R1066 IonicContact OD1-CZ 3.88Å; D973-R1066 IonicContact OD1-NE 3.25Å; D973-R1066 IonicContact OD1-NH2 3.15Å; D973-R1066 PolarHBondContact OD1-NH2 3.34Å |
| 974 | V | 95.9 | Very high | 94.1 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.5 | -45.4 | 170.5 | 165.7 | 0 | 0 | 0 | 0 | 111.8 | A928 L931 N970 I971 E972 V976 R977 F978 | A928-V974 HydrophobicContact CB-CG1 3.65Å; L931-V974 HydrophobicContact CD2-CB 4.47Å; L931-V974 HydrophobicContact CD2-CG2 3.86Å; N970-V974 PolarHBondContact O-N 2.94Å; I971-V974 PolarHBondContact O-N 3.05Å; E972-V974 VanDerWaalsContact C-N 3.26Å; E972-V974 PolarHBondContact O-N 3.03Å; V974-V976 VanDerWaalsContact C-N 3.28Å; V974-V976 PolarHBondContact O-N 2.66Å; V974-R977 WeakPolarHBondContact O-CB 3.47Å; V974-R977 PolarHBondContact O-N 3.06Å; V974-F978 HydrophobicContact CG1-CD2 3.85Å; V974-F978 HydrophobicContact CG1-CE2 3.71Å; V974-F978 PolarHBondContact O-N 3.45Å; V974-F978 VanDerWaalsContact O-N 3.15Å |
| 975 | R | 95.8 | Very high | 93.6 | Very high | 93 Ų | 93 | 56.9 Ų | 56.9 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.2 | -40.1 | 178.6 | -173.3 | 178.1 | 78.6 | 152.6 | 1.7 | 111.8 | W901 I971 E972 R977 F978 Q979 | W901-R975 HydrophobicContact CH2-CB 3.79Å; W901-R975 HydrophobicContact CH2-CG 3.51Å; W901-R975 HydrophobicContact CZ2-CG 3.94Å; W901-R975 HydrophobicContact CZ3-CB 3.81Å; W901-R975 HydrophobicContact CZ3-CG 3.99Å; I971-R975 VanDerWaalsContact O-CB 3.32Å; I971-R975 WeakPolarHBondContact O-CB 3.36Å; I971-R975 PolarHBondContact O-N 3.24Å; E972-R975 PolarHBondContact O-N 3.36Å; E972-R975 IonicContact OE1-CZ 3.69Å; E972-R975 IonicContact OE1-NE 3.51Å; E972-R975 PolarHBondContact OE1-NE 2.59Å; E972-R975 IonicContact OE1-NH2 2.73Å; E972-R975 PolarHBondContact OE1-NH2 2.92Å; E972-R975 IonicContact OE2-CZ 3.97Å; E972-R975 VanDerWaalsContact OE2-CZ 3.32Å; E972-R975 IonicContact OE2-NE 3.58Å; E972-R975 IonicContact OE2-NH2 2.67Å; E972-R975 PolarHBondContact OE2-NH2 3.45Å; R975-R977 VanDerWaalsContact C-N 3.33Å; R975-R977 PolarHBondContact O-N 3.44Å; R975-F978 PolarHBondContact O-N 2.89Å; R975-Q979 WeakPolarHBondContact O-CG 3.34Å; R975-Q979 PolarHBondContact O-N 3.42Å |
| 976 | V | 95.3 | Very high | 93.2 | Very high | 45 Ų | 45 | 57.8 Ų | 57.8 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 175.8 | 171 | 0 | 0 | 0 | 0 | 111.6 | E972 V974 Q979 D980 | E972-V976 WeakPolarHBondContact O-CG2 3.27Å; E972-V976 PolarHBondContact O-N 3.31Å; V974-V976 VanDerWaalsContact C-N 3.28Å; V974-V976 PolarHBondContact O-N 2.66Å; V976-Q979 PolarHBondContact O-N 3.21Å; V976-D980 PolarHBondContact O-N 3.09Å |
| 977 | R | 93.3 | Very high | 92.8 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 44% | 0.438 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 174 | -65.8 | 170.4 | 173.4 | -134.7 | -10.8 | 111.5 | S923 A924 S927 D973 V974 R975 Q979 D980 L981 | S923-R977 PolarHBondContact O-NH1 2.91Å; A924-R977 HydrophobicContact CB-CB 4.09Å; S927-R977 WeakPolarHBondContact OG-CD 3.16Å; S927-R977 PolarHBondContact OG-NH1 3.01Å; D973-R977 WeakPolarHBondContact O-CG 3.45Å; V974-R977 WeakPolarHBondContact O-CB 3.47Å; V974-R977 PolarHBondContact O-N 3.06Å; R975-R977 VanDerWaalsContact C-N 3.33Å; R975-R977 PolarHBondContact O-N 3.44Å; R977-Q979 VanDerWaalsContact C-N 3.33Å; R977-Q979 PolarHBondContact O-N 3.22Å; R977-D980 PolarHBondContact O-N 3.23Å; R977-L981 PolarHBondContact O-N 2.79Å |
| 978 | F | 94.7 | Very high | 92.1 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 4% | 0.044 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -34.8 | 176.1 | -77.1 | -69 | 0 | 0 | 0 | 113.1 | W901 M905 V925 A928 V974 R975 L981 Q982 | W901-F978 HydrophobicContact CB-CD1 3.94Å; W901-F978 HydrophobicContact CB-CD2 3.77Å; W901-F978 HydrophobicContact CB-CE1 4Å; W901-F978 HydrophobicContact CB-CE2 3.8Å; W901-F978 HydrophobicContact CB-CG 3.83Å; W901-F978 HydrophobicContact CB-CZ 3.93Å; W901-F978 HydrophobicContact CD2-CD2 4.3Å; W901-F978 AromaticContact CE3-CD2 3.89Å; W901-F978 HydrophobicContact CE3-CD2 3.89Å; W901-F978 HydrophobicContact CE3-CE2 4.35Å; W901-F978 HydrophobicContact CG-CD2 4.3Å; W901-F978 HydrophobicContact CG-CG 4.36Å; W901-F978 WeakPolarHBondContact O-CE1 3.5Å; M905-F978 HydrophobicContact CB-CD1 4.33Å; M905-F978 HydrophobicContact CB-CE1 4.01Å; M905-F978 HydrophobicContact CE-CD1 4.2Å; V925-F978 HydrophobicContact CG2-CE1 4.03Å; V925-F978 HydrophobicContact CG2-CZ 4.16Å; A928-F978 HydrophobicContact CB-CE2 3.81Å; A928-F978 HydrophobicContact CB-CZ 4.18Å; V974-F978 HydrophobicContact CG1-CD2 3.85Å; V974-F978 HydrophobicContact CG1-CE2 3.71Å; V974-F978 PolarHBondContact O-N 3.45Å; V974-F978 VanDerWaalsContact O-N 3.15Å; R975-F978 PolarHBondContact O-N 2.89Å; F978-L981 PolarHBondContact O-N 3.08Å; F978-Q982 WeakPolarHBondContact O-CB 3.23Å; F978-Q982 PolarHBondContact O-N 2.79Å |
| 979 | Q | 94.6 | Very high | 91.4 | Very high | 80 Ų | 80 | 55.5 Ų | 55.5 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 172.6 | -73.7 | 177.9 | 16.3 | 0 | 0 | 112.9 | R975 V976 R977 Q982 K983 | R975-Q979 WeakPolarHBondContact O-CG 3.34Å; R975-Q979 PolarHBondContact O-N 3.42Å; V976-Q979 PolarHBondContact O-N 3.21Å; R977-Q979 VanDerWaalsContact C-N 3.33Å; R977-Q979 PolarHBondContact O-N 3.22Å; Q979-Q982 PolarHBondContact O-N 3.47Å; Q979-K983 WeakPolarHBondContact O-CD 3.49Å; Q979-K983 WeakPolarHBondContact O-CE 3.49Å; Q979-K983 VanDerWaalsContact O-CG 3.27Å; Q979-K983 WeakPolarHBondContact O-CG 3.38Å; Q979-K983 PolarHBondContact O-N 2.89Å; Q979-K983 VanDerWaalsContact O-N 3.08Å |
| 980 | D | 91.4 | Very high | 90.1 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.8 | -32.9 | 177 | -76.4 | -12.5 | 0 | 0 | 0 | 111.6 | V976 R977 K983 L984 | V976-D980 PolarHBondContact O-N 3.09Å; R977-D980 PolarHBondContact O-N 3.23Å; D980-K983 PolarHBondContact O-N 3.32Å; D980-K983 IonicContact OD1-NZ 2.71Å; D980-K983 PolarHBondContact OD1-NZ 3.38Å; D980-L984 PolarHBondContact O-N 3.48Å; D980-L984 VanDerWaalsContact O-N 3.09Å |
| 981 | L | 90.4 | Very high | 88.7 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 167.1 | -83.2 | 170.9 | 0 | 0 | 0 | 113 | M905 L920 I921 A924 R977 F978 K983 L984 K985 W989 | M905-L981 HydrophobicContact CE-CB 3.81Å; M905-L981 HydrophobicContact CG-CD1 4.16Å; M905-L981 HydrophobicContact SD-CB 4.13Å; L920-L981 HydrophobicContact CB-CD2 4.25Å; L920-L981 HydrophobicContact CD2-CD2 3.75Å; L920-L981 HydrophobicContact CG-CD2 3.79Å; L920-L981 HydrophobicContact CG-CG 4.46Å; I921-L981 HydrophobicContact CG1-CD1 4.37Å; I921-L981 HydrophobicContact CG1-CD2 3.83Å; A924-L981 HydrophobicContact CB-CD1 3.35Å; R977-L981 PolarHBondContact O-N 2.79Å; F978-L981 PolarHBondContact O-N 3.08Å; L981-K983 VanDerWaalsContact C-N 3.29Å; L981-K983 PolarHBondContact O-N 2.88Å; L981-L984 HydrophobicContact CD2-CD2 4.39Å; L981-L984 WeakPolarHBondContact O-CA 3.45Å; L981-L984 WeakPolarHBondContact O-CB 3.11Å; L981-L984 PolarHBondContact O-N 3.42Å; L981-K985 PolarHBondContact O-N 2.92Å; L981-W989 HydrophobicContact CD2-CH2 4.43Å; L981-W989 HydrophobicContact CD2-CZ3 4.08Å |
| 982 | Q | 90.6 | Very high | 87.1 | Confident | 66 Ų | 66 | 68.4 Ų | 68.4 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 174.9 | -176.3 | 61.7 | 53 | 0 | 0 | 111.2 | F978 Q979 L984 K985 D986 | F978-Q982 WeakPolarHBondContact O-CB 3.23Å; F978-Q982 PolarHBondContact O-N 2.79Å; Q979-Q982 PolarHBondContact O-N 3.47Å; Q982-L984 VanDerWaalsContact C-N 3.29Å; Q982-L984 PolarHBondContact O-N 3.04Å; Q982-K985 WeakPolarHBondContact O-CB 3.33Å; Q982-K985 PolarHBondContact O-N 2.86Å; Q982-D986 PolarHBondContact NE2-OD1 3.28Å; Q982-D986 WeakPolarHBondContact O-CB 3.31Å; Q982-D986 PolarHBondContact O-N 3.24Å |
| 983 | K | 89 | Confident | 84.8 | Confident | 103 Ų | 103 | 70.2 Ų | 70.2 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.7 | -32.8 | 174 | -66.5 | 158.9 | -149.4 | 160.4 | 0 | 112.5 | Q979 D980 L981 S987 | Q979-K983 WeakPolarHBondContact O-CD 3.49Å; Q979-K983 WeakPolarHBondContact O-CE 3.49Å; Q979-K983 VanDerWaalsContact O-CG 3.27Å; Q979-K983 WeakPolarHBondContact O-CG 3.38Å; Q979-K983 PolarHBondContact O-N 2.89Å; Q979-K983 VanDerWaalsContact O-N 3.08Å; D980-K983 PolarHBondContact O-N 3.32Å; D980-K983 IonicContact OD1-NZ 2.71Å; D980-K983 PolarHBondContact OD1-NZ 3.38Å; L981-K983 VanDerWaalsContact C-N 3.29Å; L981-K983 PolarHBondContact O-N 2.88Å; K983-S987 PolarHBondContact O-N 3.13Å; K983-S987 VanDerWaalsContact O-N 3.08Å; K983-S987 PolarHBondContact O-OG 2.77Å |
| 984 | L | 86.6 | Confident | 82.6 | Confident | 9 Ų | 9 | 74.6 Ų | 74.6 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.8 | -46.2 | 174.7 | -175.8 | 60.8 | 0 | 0 | 0 | 110.7 | L920 D980 L981 Q982 D986 S987 G988 W989 L991 | L920-L984 HydrophobicContact CD2-CD2 3.76Å; D980-L984 PolarHBondContact O-N 3.48Å; D980-L984 VanDerWaalsContact O-N 3.09Å; L981-L984 HydrophobicContact CD2-CD2 4.39Å; L981-L984 WeakPolarHBondContact O-CA 3.45Å; L981-L984 WeakPolarHBondContact O-CB 3.11Å; L981-L984 PolarHBondContact O-N 3.42Å; Q982-L984 VanDerWaalsContact C-N 3.29Å; Q982-L984 PolarHBondContact O-N 3.04Å; L984-D986 PolarHBondContact O-N 3.43Å; L984-S987 PolarHBondContact O-N 2.74Å; L984-S987 VanDerWaalsContact O-N 3.13Å; L984-S987 PolarHBondContact O-OG 3.1Å; L984-G988 PolarHBondContact O-N 3.16Å; L984-W989 HydrophobicContact CB-CE3 4.42Å; L984-W989 HydrophobicContact CB-CZ3 4.32Å; L984-W989 HydrophobicContact CD2-CE3 3.76Å; L984-W989 HydrophobicContact CD2-CZ3 3.8Å; L984-W989 HydrophobicContact CG-CE3 3.66Å; L984-W989 HydrophobicContact CG-CZ3 3.93Å; L984-W989 PolarHBondContact O-N 2.93Å; L984-L991 HydrophobicContact CD1-CD2 4.28Å; L984-L991 HydrophobicContact CD2-CD2 4.28Å |
| 985 | K | 86.1 | Confident | 80.1 | Confident | 65 Ų | 65 | 82.8 Ų | 82.8 | 28% | 0.283 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -53.5 | -50.4 | 168.7 | 178.3 | 179.3 | 173 | 166.5 | 0 | 111.8 | E908 L981 Q982 S987 G988 W989 | E908-K985 HydrophobicContact CG-CD 4Å; E908-K985 VanDerWaalsContact OE1-CD 3.27Å; E908-K985 WeakPolarHBondContact OE1-CD 3.31Å; E908-K985 WeakPolarHBondContact OE1-CE 3.34Å; E908-K985 IonicContact OE1-NZ 2.63Å; E908-K985 PolarHBondContact OE1-NZ 3.07Å; E908-K985 WeakPolarHBondContact OE2-CE 3.37Å; E908-K985 IonicContact OE2-NZ 2.67Å; E908-K985 PolarHBondContact OE2-NZ 3.01Å; L981-K985 PolarHBondContact O-N 2.92Å; Q982-K985 WeakPolarHBondContact O-CB 3.33Å; Q982-K985 PolarHBondContact O-N 2.86Å; K985-S987 PolarHBondContact O-N 3.11Å; K985-G988 WeakPolarHBondContact O-CA 3.47Å; K985-G988 PolarHBondContact O-N 3.4Å; K985-W989 HydrophobicContact CB-CH2 4.11Å; K985-W989 HydrophobicContact CB-CZ2 3.56Å; K985-W989 HydrophobicContact CG-CZ2 4.04Å |
| 986 | D | 87.3 | Confident | 77.7 | Confident | 117 Ų | 117 | 87.3 Ų | 87.3 | 63% | 0.626 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62 | -24.7 | -179.7 | -62.9 | -18.4 | 0 | 0 | 0 | 112.6 | Q982 L984 G988 | Q982-D986 PolarHBondContact NE2-OD1 3.28Å; Q982-D986 WeakPolarHBondContact O-CB 3.31Å; Q982-D986 PolarHBondContact O-N 3.24Å; L984-D986 PolarHBondContact O-N 3.43Å; D986-G988 VanDerWaalsContact C-N 3.33Å |
| 987 | S | 85.4 | Confident | 75.2 | Confident | 52 Ų | 52 | 93 Ų | 93 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 2.6 | 171.5 | 71.6 | 0 | 0 | 0 | 0 | 115 | K983 L984 K985 R990 | K983-S987 PolarHBondContact O-N 3.13Å; K983-S987 VanDerWaalsContact O-N 3.08Å; K983-S987 PolarHBondContact O-OG 2.77Å; L984-S987 PolarHBondContact O-N 2.74Å; L984-S987 VanDerWaalsContact O-N 3.13Å; L984-S987 PolarHBondContact O-OG 3.1Å; K985-S987 PolarHBondContact O-N 3.11Å; S987-R990 PolarHBondContact OG-O 3.25Å |
| 988 | G | 81.7 | Confident | 72.9 | Confident | 49 Ų | 49 | 94.7 Ų | 94.7 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 43.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L984 K985 D986 R990 | L984-G988 PolarHBondContact O-N 3.16Å; K985-G988 WeakPolarHBondContact O-CA 3.47Å; K985-G988 PolarHBondContact O-N 3.4Å; D986-G988 VanDerWaalsContact C-N 3.33Å; G988-R990 PolarHBondContact O-N 3.39Å; G988-R990 VanDerWaalsContact O-N 3.14Å |
| 989 | W | 81.5 | Confident | 70.7 | Confident | 22 Ų | 22 | 102.9 Ų | 102.9 | 8% | 0.083 | 52% | 0.517 | C | S | . | . | S | Bend | trans | 57.1 | 24.5 | -178.3 | -61 | 104.8 | 0 | 0 | 0 | 114.5 | M905 E908 L914 D917 I921 L981 L984 K985 L991 | M905-W989 HydrophobicContact SD-CH2 4.06Å; E908-W989 HydrophobicContact CG-CH2 4.46Å; E908-W989 HydrophobicContact CG-CZ2 3.56Å; L914-W989 HydrophobicContact CD1-CB 4.13Å; L914-W989 HydrophobicContact CD1-CD2 3.44Å; L914-W989 VanDerWaalsContact CD1-CD2 3.44Å; L914-W989 HydrophobicContact CD1-CE3 3.86Å; L914-W989 HydrophobicContact CD1-CG 3.51Å; L914-W989 HydrophobicContact CD2-CB 3.72Å; L914-W989 HydrophobicContact CD2-CG 3.97Å; L914-W989 HydrophobicContact CG-CG 4.37Å; D917-W989 HydrophobicContact CB-CE3 4.01Å; I921-W989 HydrophobicContact CD1-CH2 3.66Å; I921-W989 HydrophobicContact CD1-CZ2 4.34Å; I921-W989 HydrophobicContact CD1-CZ3 3.91Å; I921-W989 HydrophobicContact CG1-CH2 4.15Å; I921-W989 HydrophobicContact CG1-CZ3 4.21Å; L981-W989 HydrophobicContact CD2-CH2 4.43Å; L981-W989 HydrophobicContact CD2-CZ3 4.08Å; L984-W989 HydrophobicContact CB-CE3 4.42Å; L984-W989 HydrophobicContact CB-CZ3 4.32Å; L984-W989 HydrophobicContact CD2-CE3 3.76Å; L984-W989 HydrophobicContact CD2-CZ3 3.8Å; L984-W989 HydrophobicContact CG-CE3 3.66Å; L984-W989 HydrophobicContact CG-CZ3 3.93Å; L984-W989 PolarHBondContact O-N 2.93Å; K985-W989 HydrophobicContact CB-CH2 4.11Å; K985-W989 HydrophobicContact CB-CZ2 3.56Å; K985-W989 HydrophobicContact CG-CZ2 4.04Å; W989-L991 PolarHBondContact O-N 2.81Å |
| 990 | R | 69.4 | Low | 68.1 | Low | 194 Ų | 194 | 108.5 Ų | 108.5 | 73% | 0.732 | 54% | 0.539 | S | S | * | . | | | trans | -91.6 | 98.5 | 176.2 | -68.1 | 178.7 | -178.8 | -87.2 | -7.4 | 109.6 | S987 G988 | S987-R990 PolarHBondContact OG-O 3.25Å; G988-R990 PolarHBondContact O-N 3.39Å; G988-R990 VanDerWaalsContact O-N 3.14Å |
| 991 | L | 66.4 | Low | 65.9 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 55% | 0.55 | 56% | 0.561 | S | S | . | * | | | trans | -38.8 | 123.5 | 169.6 | -72.6 | 171.1 | 0 | 0 | 0 | 110.1 | D917 L984 W989 P993 | D917-L991 WeakPolarHBondContact OD1-CD2 3.45Å; L984-L991 HydrophobicContact CD1-CD2 4.28Å; L984-L991 HydrophobicContact CD2-CD2 4.28Å; W989-L991 PolarHBondContact O-N 2.81Å; L991-P993 VanDerWaalsContact O-N 3.13Å |
| 992 | P | 61.1 | Low | 64.1 | Low | 101 Ų | 101 | 117.7 Ų | 117.7 | 66% | 0.656 | 59% | 0.594 | S | S | * | * | | | trans | -52.9 | 123.5 | -177.9 | -28.7 | 35.2 | 0 | 0 | 0 | 109.7 | D994 | P992-D994 PolarHBondContact O-N 3.16Å; P992-D994 VanDerWaalsContact O-N 3.13Å |
| 993 | P | 49.2 | Very low | 62.3 | Low | 111 Ų | 111 | 119.8 Ų | 119.8 | 72% | 0.721 | 61% | 0.614 | S | S | * | * | | | trans | -58.7 | 125.3 | -168.6 | 22.4 | -33.9 | 0 | 0 | 0 | 109.2 | L991 K995 | L991-P993 VanDerWaalsContact O-N 3.13Å; P993-K995 PolarHBondContact O-N 2.67Å |
| 994 | D | 48.2 | Very low | 60.1 | Low | 155 Ų | 155 | 120.9 Ų | 120.9 | 83% | 0.829 | 63% | 0.631 | S | S | * | * | | | trans | -59.5 | 98.9 | -164.4 | -147.1 | -16.8 | 0 | 0 | 0 | 110.3 | P992 K996 | P992-D994 PolarHBondContact O-N 3.16Å; P992-D994 VanDerWaalsContact O-N 3.13Å; D994-K996 PolarHBondContact O-N 3.16Å |
| 995 | K | 43.5 | Very low | 58 | Low | 181 Ų | 181 | 128 Ų | 128 | 79% | 0.787 | 67% | 0.668 | S | S | * | * | | | trans | -74.3 | 87 | 174.4 | -73.1 | -178.6 | -174.3 | 171.1 | 0 | 105.9 | P993 E997 | P993-K995 PolarHBondContact O-N 2.67Å; K995-E997 PolarHBondContact O-N 3.34Å |
| 996 | K | 45.3 | Very low | 56.4 | Low | 188 Ų | 188 | 130.6 Ų | 130.6 | 82% | 0.817 | 69% | 0.692 | S | S | * | * | | | trans | -45.4 | 99.4 | 148.1 | -70.9 | -175.9 | 178.4 | 179.2 | 0 | 106.2 | D994 D998 | D994-K996 PolarHBondContact O-N 3.16Å; K996-D998 PolarHBondContact O-N 2.78Å |
| 997 | E | 43.8 | Very low | 54.3 | Low | 163 Ų | 163 | 134.7 Ų | 134.7 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | | | trans | -63.5 | 94.8 | 164.6 | -70.8 | -166.6 | 126.2 | 0 | 0 | 105 | K995 K999 | K995-E997 PolarHBondContact O-N 3.34Å; E997-K999 WeakPolarHBondContact O-CG 3.32Å; E997-K999 PolarHBondContact O-N 2.98Å |
| 998 | D | 44.8 | Very low | 52.1 | Low | 152 Ų | 152 | 141.8 Ų | 141.8 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | | | trans | -49.7 | 104.1 | 152.5 | -89.4 | -45.3 | 0 | 0 | 0 | 105.1 | K996 K1000 | K996-D998 PolarHBondContact O-N 2.78Å; D998-K1000 PolarHBondContact O-N 3.18Å |
| 999 | K | 48 | Very low | 50 | Low | 183 Ų | 183 | 145.4 Ų | 145.4 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | | | trans | -70.5 | 68.7 | -174.4 | -73.8 | 174.9 | -177.6 | 169.3 | 0 | 108.9 | E997 L1001 | E997-K999 WeakPolarHBondContact O-CG 3.32Å; E997-K999 PolarHBondContact O-N 2.98Å; K999-L1001 VanDerWaalsContact C-N 3.32Å; K999-L1001 PolarHBondContact O-N 2.76Å |
| 1000 | K | 41 | Very low | 48 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | trans | -65.7 | 97.2 | 178 | -169.7 | 174.9 | -173.9 | 177.3 | 0 | 106.5 | D998 | D998-K1000 PolarHBondContact O-N 3.18Š|
| 1001 | L | 45.5 | Very low | 46.2 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | | | trans | -45.9 | 139.4 | -176 | -63.3 | 170.8 | 0 | 0 | 0 | 110 | K999 | K999-L1001 VanDerWaalsContact C-N 3.32Å; K999-L1001 PolarHBondContact O-N 2.76Å |
| 1002 | P | 52.8 | Low | 44.6 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 137 | 179.5 | 23.9 | -33.8 | 0 | 0 | 0 | 109.3 | | |
| 1003 | P | 50.8 | Low | 43.5 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 135.8 | -176.4 | 24.1 | -33.7 | 0 | 0 | 0 | 109.8 | L1005 | P1003-L1005 PolarHBondContact O-N 3.39Š|
| 1004 | P | 42.9 | Very low | 42.9 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 126.4 | -174.7 | 24.5 | -33.8 | 0 | 0 | 0 | 110.2 | | |
| 1005 | L | 43.5 | Very low | 42.2 | Very low | 157 Ų | 157 | 142 Ų | 142 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 137.7 | 176.9 | -70.7 | 171.1 | 0 | 0 | 0 | 110 | P1003 K1007 | P1003-L1005 PolarHBondContact O-N 3.39Å; L1005-K1007 PolarHBondContact O-N 3.12Å |
| 1006 | P | 51.7 | Low | 41.7 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 126.6 | -177.1 | 24.3 | -33.5 | 0 | 0 | 0 | 110.5 | K1008 | P1006-K1008 PolarHBondContact O-N 3.29Å; P1006-K1008 VanDerWaalsContact O-N 3.14Å |
| 1007 | K | 43.6 | Very low | 41.2 | Very low | 204 Ų | 204 | 136 Ų | 136 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 117.6 | 177.8 | -67.8 | -178.5 | -179.9 | 178.6 | 0 | 109.3 | L1005 | L1005-K1007 PolarHBondContact O-N 3.12Š|
| 1008 | K | 40.2 | Very low | 40.7 | Very low | 201 Ų | 201 | 139 Ų | 139 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 122.1 | 173.9 | -146.1 | 175.4 | -171 | 179.3 | 0 | 108.2 | P1006 A1010 | P1006-K1008 PolarHBondContact O-N 3.29Å; P1006-K1008 VanDerWaalsContact O-N 3.14Å; K1008-A1010 PolarHBondContact O-N 2.63Å |
| 1009 | P | 35.9 | Very low | 40.3 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 133.3 | 178.5 | 26.7 | -33.4 | 0 | 0 | 0 | 109.8 | | |
| 1010 | A | 39.6 | Very low | 39.6 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 141.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | K1008 | K1008-A1010 PolarHBondContact O-N 2.63Š|
| 1011 | G | 33.2 | Very low | 39.6 | Very low | 81 Ų | 81 | 129.6 Ų | 129.6 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | 74.1 | 81.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1012 | G | 32.5 | Very low | 39.1 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | | | trans | -115.3 | 86.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1013 | V | 36.7 | Very low | 38.3 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | -130.8 | 89.2 | 173.7 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1014 | S | 38.3 | Very low | 37.4 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | -173.5 | 121 | 150.2 | -81.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1015 | G | 33.4 | Very low | 37 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | -93.9 | 152.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1016 | S | 32.7 | Very low | 36.7 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -151.7 | 111.6 | 152.4 | -159.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1017 | L | 34.8 | Very low | 36 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 72% | 0.717 | 81% | 0.809 | S | S | * | * | | | trans | 48 | 129.8 | 134.9 | -62.4 | 178.3 | 0 | 0 | 0 | 122.1 | | |
| 1018 | R | 33.3 | Very low | 35.5 | Very low | 226 Ų | 226 | 119.8 Ų | 119.8 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | 82 | 113.1 | 142.5 | -67.9 | 163 | -171.6 | -131.7 | -0.5 | 118.5 | | |
| 1019 | A | 35.6 | Very low | 35.3 | Very low | 90 Ų | 90 | 116.1 Ų | 116.1 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | | | trans | -83.9 | 154.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1020 | D | 33.3 | Very low | 35.4 | Very low | 145 Ų | 145 | 115.1 Ų | 115.1 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | | | trans | -162.2 | 136.8 | 139.1 | -100.8 | -47 | 0 | 0 | 0 | 106.2 | | |
| 1021 | S | 40.6 | Very low | 35 | Very low | 99 Ų | 99 | 114 Ų | 114 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | | | | 59.3 | 128.8 | 82.1 | -43.8 | 0 | 0 | 0 | 0 | 111 | | |
| 1022 | V | 36.4 | Very low | 35 | Very low | 140 Ų | 140 | 114.4 Ų | 114.4 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | cis | -150.8 | 162.2 | 21.2 | 175.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1023 | G | 34.3 | Very low | 34.8 | Very low | 61 Ų | 61 | 113.9 Ų | 113.9 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | | | cis | 162.3 | -163 | 1.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1024 | D | 33.8 | Very low | 35.8 | Very low | 171 Ų | 171 | 114 Ų | 114 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | | | trans | 59.5 | 155.8 | 176.1 | -65.6 | -53.1 | 0 | 0 | 0 | 118 | | |
| 1025 | G | 33.9 | Very low | 35.4 | Very low | 63 Ų | 63 | 111.9 Ų | 111.9 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | | | cis | 178.7 | 130.1 | -11.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1026 | V | 36.3 | Very low | 35.2 | Very low | 142 Ų | 142 | 111.6 Ų | 111.6 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | 55.5 | 143.8 | 143.5 | 179.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1027 | S | 36.6 | Very low | 34.9 | Very low | 122 Ų | 122 | 114.4 Ų | 114.4 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | 81 | 149 | 166.3 | 77.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1028 | G | 33.3 | Very low | 34.8 | Very low | 71 Ų | 71 | 114.2 Ų | 114.2 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | | | cis | 179.3 | 138.4 | -11 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1029 | S | 36.8 | Very low | 34.9 | Very low | 125 Ų | 125 | 109 Ų | 109 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | 52.6 | 130.6 | 143.2 | -146.7 | 0 | 0 | 0 | 0 | 124.3 | | |
| 1030 | A | 37 | Very low | 35 | Very low | 104 Ų | 104 | 110.8 Ų | 110.8 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | 63 | 153.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1031 | G | 32.6 | Very low | 35.1 | Very low | 78 Ų | 78 | 115 Ų | 115 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | cis | 165.6 | 156 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1032 | G | 31.9 | Very low | 34.7 | Very low | 89 Ų | 89 | 115.5 Ų | 115.5 | 92% | 0.918 | 82% | 0.822 | S | S | * | * | | | trans | 98.9 | 143.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1033 | G | 28.6 | Very low | 34.3 | Very low | 76 Ų | 76 | 112.7 Ų | 112.7 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | | | trans | -129.2 | -141.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1034 | P | 57.3 | Low | 34 | Very low | 141 Ų | 141 | 113.5 Ų | 113.5 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | | | cis | -135 | -175.3 | -15.6 | 42.3 | -26.7 | 0 | 0 | 0 | 113.2 | | |
| 1035 | G | 30.7 | Very low | 34.4 | Very low | 81 Ų | 81 | 114.5 Ų | 114.5 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | | | trans | 122.2 | 157.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1036 | G | 28.9 | Very low | 34.3 | Very low | 76 Ų | 76 | 118.4 Ų | 118.4 | 78% | 0.784 | 84% | 0.839 | S | S | * | * | | | trans | 125.6 | 127.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1037 | L | 27.6 | Very low | 34.6 | Very low | 166 Ų | 166 | 119.2 Ų | 119.2 | 87% | 0.869 | 84% | 0.838 | S | S | * | * | | | trans | -65 | 170.6 | 162.3 | -81.7 | 66.6 | 0 | 0 | 0 | 109.6 | | |
| 1038 | V | 31.1 | Very low | 35.1 | Very low | 133 Ų | 133 | 118.7 Ų | 118.7 | 81% | 0.806 | 83% | 0.832 | S | S | * | * | | | cis | -158.3 | 161.9 | 43.4 | -144.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1039 | V | 37.2 | Very low | 35.5 | Very low | 117 Ų | 117 | 122 Ų | 122 | 71% | 0.709 | 83% | 0.831 | S | S | * | * | | | trans | -95.5 | 146.6 | 168 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1040 | P | 36.9 | Very low | 35.6 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | | | | -122.4 | 158.2 | 129.3 | -0.8 | 21.6 | 0 | 0 | 0 | 113.4 | | |
| 1041 | R | 35.9 | Very low | 35.8 | Very low | 233 Ų | 233 | 130.7 Ų | 130.7 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | | | trans | -102.6 | 166.2 | 175 | -92.5 | 175.2 | 60.3 | 116.3 | -5.5 | 111.5 | | |
| 1042 | A | 30.7 | Very low | 36.2 | Very low | 110 Ų | 110 | 135 Ų | 135 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | trans | 71.4 | 147.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1043 | G | 28.6 | Very low | 36.6 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | cis | 168.7 | 139.3 | -8.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1044 | G | 28.7 | Very low | 37.6 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | 170.9 | 155.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1045 | H | 41.3 | Very low | 37 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 89% | 0.889 | 80% | 0.798 | S | S | * | * | | | trans | -88.5 | 150.1 | -176.9 | -67 | -109.4 | 0 | 0 | 0 | 112.9 | | |
| 1046 | T | 32.2 | Very low | 38.2 | Very low | 144 Ų | 144 | 139 Ų | 139 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -167.3 | 139.3 | 133.2 | 9.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1047 | L | 42.4 | Very low | 39.6 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | -92.9 | 162.3 | 162.7 | -63.9 | 171.6 | 0 | 0 | 0 | 108.6 | | |
| 1048 | P | 47 | Very low | 41.1 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | | | | -153.6 | 145.7 | 100 | 35.5 | -16.4 | 0 | 0 | 0 | 118.2 | | |
| 1049 | I | 41.1 | Very low | 42.6 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | | | trans | 52.8 | 111.8 | 134.5 | -52.8 | 167.1 | 0 | 0 | 0 | 119 | | |
| 1050 | R | 40.1 | Very low | 44 | Very low | 241 Ų | 241 | 134.8 Ų | 134.8 | 91% | 0.909 | 73% | 0.732 | S | S | * | * | | | trans | -146.8 | 18.3 | 157.8 | -148.1 | -158.4 | 159.4 | 89.1 | -1.3 | 117.4 | | |
| 1051 | E | 40.7 | Very low | 45.6 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -102.3 | -28.5 | -174.3 | -64.4 | -175.1 | 129.9 | 0 | 0 | 115 | S1053 | E1051-S1053 PolarHBondContact O-N 2.89Š|
| 1052 | K | 40.5 | Very low | 47.2 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 73% | 0.726 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 5 | -172.2 | -58.3 | -174.6 | 179.2 | -175.7 | 0 | 115.8 | | |
| 1053 | S | 41.4 | Very low | 49.2 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 69% | 0.685 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -15.1 | -174.5 | -169.5 | 0 | 0 | 0 | 0 | 114.6 | E1051 | E1051-S1053 PolarHBondContact O-N 2.89Š|
| 1054 | L | 48.4 | Very low | 51.2 | Low | 137 Ų | 137 | 127.2 Ų | 127.2 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -47.7 | -179.3 | -66.1 | 174.6 | 0 | 0 | 0 | 111.5 | L1056 G1057 D1058 | L1054-L1056 VanDerWaalsContact C-N 3.32Å; L1054-L1056 PolarHBondContact O-N 2.91Å; L1054-G1057 WeakPolarHBondContact O-CA 3.31Å; L1054-G1057 PolarHBondContact O-N 3.48Å; L1054-D1058 PolarHBondContact O-N 3.26Å |
| 1055 | D | 44.8 | Very low | 53.7 | Low | 117 Ų | 117 | 132 Ų | 132 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -55.8 | -41 | -178 | -173.1 | 56.9 | 0 | 0 | 0 | 113.3 | G1057 D1058 R1059 | D1055-G1057 VanDerWaalsContact C-N 3.28Å; D1055-G1057 PolarHBondContact O-N 3.24Å; D1055-D1058 PolarHBondContact O-N 3.43Å; D1055-R1059 WeakPolarHBondContact O-CB 3.48Å; D1055-R1059 PolarHBondContact O-N 3.33Å |
| 1056 | L | 56 | Low | 55.8 | Low | 121 Ų | 121 | 129 Ų | 129 | 63% | 0.634 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -59.8 | -36.2 | 173.9 | -73.7 | 171.5 | 0 | 0 | 0 | 113 | L1054 Q1060 | L1054-L1056 VanDerWaalsContact C-N 3.32Å; L1054-L1056 PolarHBondContact O-N 2.91Å; L1056-Q1060 VanDerWaalsContact O-CB 3.32Å; L1056-Q1060 WeakPolarHBondContact O-CB 3.31Å; L1056-Q1060 PolarHBondContact O-N 3.09Å |
| 1057 | G | 59.5 | Low | 58.2 | Low | 30 Ų | 30 | 129.3 Ų | 129.3 | 31% | 0.309 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.9 | -43.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1054 D1055 Q1060 R1061 | L1054-G1057 WeakPolarHBondContact O-CA 3.31Å; L1054-G1057 PolarHBondContact O-N 3.48Å; D1055-G1057 VanDerWaalsContact C-N 3.28Å; D1055-G1057 PolarHBondContact O-N 3.24Å; G1057-Q1060 PolarHBondContact O-N 3.05Å; G1057-R1061 WeakPolarHBondContact O-CB 3.33Å; G1057-R1061 PolarHBondContact O-N 3.21Å |
| 1058 | D | 59.4 | Low | 60 | Low | 79 Ų | 79 | 127 Ų | 127 | 42% | 0.422 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -81.7 | -28.2 | 179.8 | -71.4 | -48.9 | 0 | 0 | 0 | 113.2 | L1054 D1055 Q1060 R1061 T1062 | L1054-D1058 PolarHBondContact O-N 3.26Å; D1055-D1058 PolarHBondContact O-N 3.43Å; D1058-Q1060 VanDerWaalsContact C-N 3.34Å; D1058-R1061 PolarHBondContact O-N 2.84Å; D1058-R1061 IonicContact OD1-CZ 3.37Å; D1058-R1061 IonicContact OD1-NE 3.88Å; D1058-R1061 PolarHBondContact OD1-NE 3.03Å; D1058-R1061 IonicContact OD1-NH2 3.14Å; D1058-R1061 PolarHBondContact OD1-NH2 2.73Å; D1058-R1061 IonicContact OD2-NH2 2.71Å; D1058-T1062 WeakPolarHBondContact O-CB 3.32Å; D1058-T1062 WeakPolarHBondContact O-CG2 3.45Å; D1058-T1062 PolarHBondContact O-N 3.21Å; D1058-T1062 PolarHBondContact O-OG1 3.28Å |
| 1059 | R | 62.3 | Low | 61.4 | Low | 149 Ų | 149 | 124.8 Ų | 124.8 | 56% | 0.562 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61 | -42.7 | 165.4 | -165.8 | 171.5 | -175.2 | 125.8 | 3.9 | 111 | D1055 T1062 E1063 | D1055-R1059 WeakPolarHBondContact O-CB 3.48Å; D1055-R1059 PolarHBondContact O-N 3.33Å; R1059-T1062 WeakPolarHBondContact CA-OG1 3.38Å; R1059-T1062 PolarHBondContact O-OG1 3.26Å; R1059-E1063 WeakPolarHBondContact O-CB 3.23Å; R1059-E1063 PolarHBondContact O-N 3.4Å |
| 1060 | Q | 65.2 | Low | 62.9 | Low | 144 Ų | 144 | 124.1 Ų | 124.1 | 67% | 0.673 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.2 | -35.5 | 175.6 | -166.8 | 172.9 | 60.7 | 0 | 0 | 112.6 | L1056 G1057 D1058 A1064 | L1056-Q1060 VanDerWaalsContact O-CB 3.32Å; L1056-Q1060 WeakPolarHBondContact O-CB 3.31Å; L1056-Q1060 PolarHBondContact O-N 3.09Å; G1057-Q1060 PolarHBondContact O-N 3.05Å; D1058-Q1060 VanDerWaalsContact C-N 3.34Å; Q1060-A1064 WeakPolarHBondContact O-CB 3.36Å; Q1060-A1064 PolarHBondContact O-N 3.29Å |
| 1061 | R | 70.8 | Confident | 64.3 | Low | 165 Ų | 165 | 116.9 Ų | 116.9 | 62% | 0.623 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.1 | -41.1 | 176.6 | -152.2 | -166.6 | -43.7 | -92.3 | 2.9 | 112.6 | G1057 D1058 R1065 | G1057-R1061 WeakPolarHBondContact O-CB 3.33Å; G1057-R1061 PolarHBondContact O-N 3.21Å; D1058-R1061 PolarHBondContact O-N 2.84Å; D1058-R1061 IonicContact OD1-CZ 3.37Å; D1058-R1061 IonicContact OD1-NE 3.88Å; D1058-R1061 PolarHBondContact OD1-NE 3.03Å; D1058-R1061 IonicContact OD1-NH2 3.14Å; D1058-R1061 PolarHBondContact OD1-NH2 2.73Å; D1058-R1061 IonicContact OD2-NH2 2.71Å; R1061-R1065 PolarHBondContact O-N 2.77Å; R1061-R1065 VanDerWaalsContact O-N 3.12Å |
| 1062 | T | 69.8 | Low | 66 | Low | 90 Ų | 90 | 115.3 Ų | 115.3 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.4 | -39.5 | 175.2 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | D1058 R1059 R1065 R1066 | D1058-T1062 WeakPolarHBondContact O-CB 3.32Å; D1058-T1062 WeakPolarHBondContact O-CG2 3.45Å; D1058-T1062 PolarHBondContact O-N 3.21Å; D1058-T1062 PolarHBondContact O-OG1 3.28Å; R1059-T1062 WeakPolarHBondContact CA-OG1 3.38Å; R1059-T1062 PolarHBondContact O-OG1 3.26Å; T1062-R1065 WeakPolarHBondContact O-CB 3.38Å; T1062-R1065 PolarHBondContact O-N 3.21Å; T1062-R1066 PolarHBondContact O-N 2.93Å |
| 1063 | E | 73.6 | Confident | 67.6 | Low | 80 Ų | 80 | 114.6 Ų | 114.6 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.2 | -42.7 | 173.1 | -158.8 | -160.2 | 163.3 | 0 | 0 | 112.1 | R1059 R1065 R1066 R1067 | R1059-E1063 WeakPolarHBondContact O-CB 3.23Å; R1059-E1063 PolarHBondContact O-N 3.4Å; E1063-R1065 VanDerWaalsContact C-N 3.28Å; E1063-R1065 PolarHBondContact O-N 3.4Å; E1063-R1066 PolarHBondContact O-N 3.31Å; E1063-R1066 VanDerWaalsContact O-N 3.15Å; E1063-R1067 WeakPolarHBondContact O-CB 3.46Å; E1063-R1067 WeakPolarHBondContact O-CG 3.17Å; E1063-R1067 PolarHBondContact O-N 3.19Å; E1063-R1067 IonicContact OE1-CZ 3.32Å; E1063-R1067 IonicContact OE1-NE 3.82Å; E1063-R1067 PolarHBondContact OE1-NE 3.49Å; E1063-R1067 IonicContact OE1-NH2 3.12Å; E1063-R1067 PolarHBondContact OE1-NH2 3.3Å; E1063-R1067 IonicContact OE2-NH2 2.66Å |
| 1064 | A | 70.6 | Confident | 68.6 | Low | 57 Ų | 57 | 113.8 Ų | 113.8 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1060 L1068 | Q1060-A1064 WeakPolarHBondContact O-CB 3.36Å; Q1060-A1064 PolarHBondContact O-N 3.29Å; A1064-L1068 WeakPolarHBondContact O-CB 3.27Å; A1064-L1068 PolarHBondContact O-N 2.9Å |
| 1065 | R | 79.8 | Confident | 69 | Low | 179 Ų | 179 | 109.7 Ų | 109.7 | 68% | 0.675 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.8 | -42.8 | 173.3 | -172 | 176.6 | 177.9 | -178.4 | -2.6 | 111.8 | R1061 T1062 E1063 L1068 L1069 | R1061-R1065 PolarHBondContact O-N 2.77Å; R1061-R1065 VanDerWaalsContact O-N 3.12Å; T1062-R1065 WeakPolarHBondContact O-CB 3.38Å; T1062-R1065 PolarHBondContact O-N 3.21Å; E1063-R1065 VanDerWaalsContact C-N 3.28Å; E1063-R1065 PolarHBondContact O-N 3.4Å; R1065-L1068 PolarHBondContact O-N 2.87Å; R1065-L1069 HydrophobicContact CG-CD1 4.23Å; R1065-L1069 VanDerWaalsContact O-CG 3.3Å; R1065-L1069 WeakPolarHBondContact O-CG 3.29Å; R1065-L1069 PolarHBondContact O-N 3.19Å |
| 1066 | R | 85.8 | Confident | 69.7 | Low | 129 Ų | 129 | 106.9 Ų | 106.9 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.4 | -49.2 | 175.6 | -174.5 | -176.7 | -86.6 | 154.4 | -6.5 | 111.1 | D973 T1062 E1063 L1068 L1069 Q1070 | D973-R1066 IonicContact OD1-CZ 3.88Å; D973-R1066 IonicContact OD1-NE 3.25Å; D973-R1066 IonicContact OD1-NH2 3.15Å; D973-R1066 PolarHBondContact OD1-NH2 3.34Å; T1062-R1066 PolarHBondContact O-N 2.93Å; E1063-R1066 PolarHBondContact O-N 3.31Å; E1063-R1066 VanDerWaalsContact O-N 3.15Å; R1066-L1068 PolarHBondContact O-N 3.4Å; R1066-L1069 PolarHBondContact O-N 3.01Å; R1066-Q1070 PolarHBondContact O-N 2.9Å |
| 1067 | R | 82.7 | Confident | 69.4 | Low | 151 Ų | 151 | 109 Ų | 109 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.8 | -47.9 | 175.9 | -70.5 | 177.6 | -178.4 | -150 | 7 | 111.6 | E1063 L1069 Q1070 T1071 | E1063-R1067 WeakPolarHBondContact O-CB 3.46Å; E1063-R1067 WeakPolarHBondContact O-CG 3.17Å; E1063-R1067 PolarHBondContact O-N 3.19Å; E1063-R1067 IonicContact OE1-CZ 3.32Å; E1063-R1067 IonicContact OE1-NE 3.82Å; E1063-R1067 PolarHBondContact OE1-NE 3.49Å; E1063-R1067 IonicContact OE1-NH2 3.12Å; E1063-R1067 PolarHBondContact OE1-NH2 3.3Å; E1063-R1067 IonicContact OE2-NH2 2.66Å; R1067-L1069 VanDerWaalsContact C-N 3.32Å; R1067-L1069 PolarHBondContact O-N 2.9Å; R1067-Q1070 WeakPolarHBondContact O-CB 3.4Å; R1067-Q1070 PolarHBondContact O-N 2.82Å; R1067-Q1070 VanDerWaalsContact O-N 3.17Å; R1067-T1071 PolarHBondContact O-N 3.49Å; R1067-T1071 PolarHBondContact O-OG1 2.83Å; R1067-T1071 VanDerWaalsContact O-OG1 3.06Å |
| 1068 | L | 81.4 | Confident | 69.1 | Low | 112 Ų | 112 | 117 Ų | 117 | 59% | 0.586 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.2 | -38 | 177.6 | -179.1 | 62.5 | 0 | 0 | 0 | 112.8 | A1064 R1065 R1066 K1072 | A1064-L1068 WeakPolarHBondContact O-CB 3.27Å; A1064-L1068 PolarHBondContact O-N 2.9Å; R1065-L1068 PolarHBondContact O-N 2.87Å; R1066-L1068 PolarHBondContact O-N 3.4Å; L1068-K1072 PolarHBondContact O-N 2.92Å |
| 1069 | L | 76.4 | Confident | 68.7 | Low | 64 Ų | 64 | 119.9 Ų | 119.9 | 34% | 0.335 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.5 | -36.3 | 175.3 | -71.6 | 169 | 0 | 0 | 0 | 112.1 | R1065 R1066 R1067 K1072 R1073 | R1065-L1069 HydrophobicContact CG-CD1 4.23Å; R1065-L1069 VanDerWaalsContact O-CG 3.3Å; R1065-L1069 WeakPolarHBondContact O-CG 3.29Å; R1065-L1069 PolarHBondContact O-N 3.19Å; R1066-L1069 PolarHBondContact O-N 3.01Å; R1067-L1069 VanDerWaalsContact C-N 3.32Å; R1067-L1069 PolarHBondContact O-N 2.9Å; L1069-K1072 WeakPolarHBondContact O-CB 3.4Å; L1069-K1072 PolarHBondContact O-N 3.27Å; L1069-R1073 WeakPolarHBondContact O-CG 3.33Å; L1069-R1073 PolarHBondContact O-N 2.91Å |
| 1070 | Q | 71.4 | Confident | 68 | Low | 125 Ų | 125 | 117.8 Ų | 117.8 | 58% | 0.584 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.5 | -41.2 | 173.3 | -165.8 | 174.5 | 7.4 | 0 | 0 | 111.5 | R1066 R1067 K1072 R1073 T1074 | R1066-Q1070 PolarHBondContact O-N 2.9Å; R1067-Q1070 WeakPolarHBondContact O-CB 3.4Å; R1067-Q1070 PolarHBondContact O-N 2.82Å; R1067-Q1070 VanDerWaalsContact O-N 3.17Å; Q1070-K1072 VanDerWaalsContact C-N 3.32Å; Q1070-K1072 PolarHBondContact O-N 2.85Å; Q1070-R1073 PolarHBondContact O-N 3.17Å; Q1070-T1074 PolarHBondContact O-N 3.34Å; Q1070-T1074 PolarHBondContact O-OG1 3Å |
| 1071 | T | 70.1 | Confident | 67.3 | Low | 88 Ų | 88 | 113.8 Ų | 113.8 | 54% | 0.54 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 170.2 | -50.5 | 0 | 0 | 0 | 0 | 112.1 | R1067 T1074 A1075 | R1067-T1071 PolarHBondContact O-N 3.49Å; R1067-T1071 PolarHBondContact O-OG1 2.83Å; R1067-T1071 VanDerWaalsContact O-OG1 3.06Å; T1071-T1074 PolarHBondContact O-OG1 2.83Å; T1071-T1074 VanDerWaalsContact O-OG1 3.14Å; T1071-A1075 VanDerWaalsContact O-CB 3.28Å; T1071-A1075 WeakPolarHBondContact O-CB 3.43Å; T1071-A1075 PolarHBondContact O-N 3.27Å |
| 1072 | K | 76.3 | Confident | 66.1 | Low | 139 Ų | 139 | 109 Ų | 109 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66 | -42.4 | 172.3 | -84.4 | -171.4 | 168.9 | -171 | 0 | 112.8 | L1068 L1069 Q1070 A1075 S1076 | L1068-K1072 PolarHBondContact O-N 2.92Å; L1069-K1072 WeakPolarHBondContact O-CB 3.4Å; L1069-K1072 PolarHBondContact O-N 3.27Å; Q1070-K1072 VanDerWaalsContact C-N 3.32Å; Q1070-K1072 PolarHBondContact O-N 2.85Å; K1072-A1075 PolarHBondContact O-N 3.49Å; K1072-S1076 WeakPolarHBondContact O-CB 3.29Å; K1072-S1076 PolarHBondContact O-N 3.28Å |
| 1073 | R | 74.8 | Confident | 65.1 | Low | 152 Ų | 152 | 108.9 Ų | 108.9 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.1 | -46.9 | 176.1 | -71.2 | -177.3 | -171 | 172.9 | 4.6 | 111.2 | L1069 Q1070 S1076 F1077 | L1069-R1073 WeakPolarHBondContact O-CG 3.33Å; L1069-R1073 PolarHBondContact O-N 2.91Å; Q1070-R1073 PolarHBondContact O-N 3.17Å; R1073-S1076 PolarHBondContact O-N 3.43Å; R1073-F1077 PolarHBondContact O-N 3.49Å |
| 1074 | T | 61.5 | Low | 63.8 | Low | 81 Ų | 81 | 112.7 Ų | 112.7 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.9 | -31.8 | 178.9 | 53 | 0 | 0 | 0 | 0 | 113.2 | Q1070 T1071 R1078 | Q1070-T1074 PolarHBondContact O-N 3.34Å; Q1070-T1074 PolarHBondContact O-OG1 3Å; T1071-T1074 PolarHBondContact O-OG1 2.83Å; T1071-T1074 VanDerWaalsContact O-OG1 3.14Å; T1074-R1078 WeakPolarHBondContact O-CG 3.21Å; T1074-R1078 PolarHBondContact O-N 3.1Å |
| 1075 | A | 56.3 | Low | 62.6 | Low | 51 Ų | 51 | 113.9 Ų | 113.9 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.3 | -39.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1071 K1072 R1078 Q1079 | T1071-A1075 VanDerWaalsContact O-CB 3.28Å; T1071-A1075 WeakPolarHBondContact O-CB 3.43Å; T1071-A1075 PolarHBondContact O-N 3.27Å; K1072-A1075 PolarHBondContact O-N 3.49Å; A1075-R1078 CarbonylContact O-C 3.6Å; A1075-R1078 PolarHBondContact O-N 3.35Å; A1075-Q1079 PolarHBondContact O-N 2.91Å; A1075-Q1079 VanDerWaalsContact O-N 3.11Å |
| 1076 | S | 59.4 | Low | 60.9 | Low | 59 Ų | 59 | 108.5 Ų | 108.5 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.6 | -41.9 | 176.5 | -162.1 | 0 | 0 | 0 | 0 | 111.8 | K1072 R1073 R1078 Q1079 N1080 | K1072-S1076 WeakPolarHBondContact O-CB 3.29Å; K1072-S1076 PolarHBondContact O-N 3.28Å; R1073-S1076 PolarHBondContact O-N 3.43Å; S1076-R1078 VanDerWaalsContact C-N 3.27Å; S1076-R1078 PolarHBondContact O-N 2.75Å; S1076-Q1079 PolarHBondContact O-N 2.93Å; S1076-N1080 PolarHBondContact O-N 2.82Å; S1076-N1080 PolarHBondContact O-OD1 2.92Å |
| 1077 | F | 50.3 | Low | 58.9 | Low | 164 Ų | 164 | 109.4 Ų | 109.4 | 72% | 0.719 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.4 | -37.3 | 175.2 | -168.9 | -98.3 | 0 | 0 | 0 | 112.1 | R1073 Q1079 S1081 | R1073-F1077 PolarHBondContact O-N 3.49Å; F1077-Q1079 VanDerWaalsContact C-N 3.3Å; F1077-Q1079 PolarHBondContact O-N 3.02Å; F1077-S1081 PolarHBondContact O-N 3.47Å; F1077-S1081 PolarHBondContact O-OG 3.05Å |
| 1078 | R | 52.8 | Low | 57.1 | Low | 198 Ų | 198 | 107 Ų | 107 | 75% | 0.747 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -72.9 | -13.5 | 172.5 | -71.6 | 176.6 | -180 | -99.4 | 1.7 | 114.4 | T1074 A1075 S1076 S1081 | T1074-R1078 WeakPolarHBondContact O-CG 3.21Å; T1074-R1078 PolarHBondContact O-N 3.1Å; A1075-R1078 CarbonylContact O-C 3.6Å; A1075-R1078 PolarHBondContact O-N 3.35Å; S1076-R1078 VanDerWaalsContact C-N 3.27Å; S1076-R1078 PolarHBondContact O-N 2.75Å; R1078-S1081 WeakPolarHBondContact CA-OG 3.28Å |
| 1079 | Q | 52.2 | Low | 55.3 | Low | 141 Ų | 141 | 108 Ų | 108 | 66% | 0.659 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -89.8 | -40.7 | 171.4 | -74.1 | -165.3 | -41.1 | 0 | 0 | 112.2 | A1075 S1076 F1077 A1082 T1083 | A1075-Q1079 PolarHBondContact O-N 2.91Å; A1075-Q1079 VanDerWaalsContact O-N 3.11Å; S1076-Q1079 PolarHBondContact O-N 2.93Å; F1077-Q1079 VanDerWaalsContact C-N 3.3Å; F1077-Q1079 PolarHBondContact O-N 3.02Å; Q1079-A1082 WeakPolarHBondContact O-CB 3.48Å; Q1079-A1082 PolarHBondContact O-N 2.97Å; Q1079-A1082 VanDerWaalsContact O-N 3.13Å; Q1079-T1083 PolarHBondContact O-N 2.74Å |
| 1080 | N | 47.1 | Very low | 53.6 | Low | 104 Ų | 104 | 114 Ų | 114 | 56% | 0.556 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.5 | -42 | 178.7 | -71.2 | 22.8 | 0 | 0 | 0 | 112.1 | S1076 A1082 T1083 E1084 | S1076-N1080 PolarHBondContact O-N 2.82Å; S1076-N1080 PolarHBondContact O-OD1 2.92Å; N1080-A1082 PolarHBondContact O-N 2.89Å; N1080-T1083 WeakPolarHBondContact CA-OG1 3.3Å; N1080-T1083 PolarHBondContact O-N 2.88Å; N1080-T1083 PolarHBondContact O-OG1 3.15Å; N1080-E1084 PolarHBondContact O-N 2.74Å; N1080-E1084 VanDerWaalsContact O-N 3.1Å |
| 1081 | S | 50.9 | Low | 52.1 | Low | 60 Ų | 60 | 114.9 Ų | 114.9 | 42% | 0.42 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.7 | -22.7 | 174 | 44.5 | 0 | 0 | 0 | 0 | 113.7 | F1077 R1078 S1085 | F1077-S1081 PolarHBondContact O-N 3.47Å; F1077-S1081 PolarHBondContact O-OG 3.05Å; R1078-S1081 WeakPolarHBondContact CA-OG 3.28Å; S1081-S1085 PolarHBondContact O-OG 3.25Å; S1081-S1085 VanDerWaalsContact O-OG 3.11Å |
| 1082 | A | 44.2 | Very low | 50.4 | Low | 66 Ų | 66 | 121.1 Ų | 121.1 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -85.7 | -7.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1079 N1080 | Q1079-A1082 WeakPolarHBondContact O-CB 3.48Å; Q1079-A1082 PolarHBondContact O-N 2.97Å; Q1079-A1082 VanDerWaalsContact O-N 3.13Å; N1080-A1082 PolarHBondContact O-N 2.89Å |
| 1083 | T | 49.5 | Very low | 48.6 | Very low | 86 Ų | 86 | 121.1 Ų | 121.1 | 53% | 0.528 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -98.2 | -32.4 | 171 | 43.7 | 0 | 0 | 0 | 0 | 112.9 | Q1079 N1080 S1085 A1086 | Q1079-T1083 PolarHBondContact O-N 2.74Å; N1080-T1083 WeakPolarHBondContact CA-OG1 3.3Å; N1080-T1083 PolarHBondContact O-N 2.88Å; N1080-T1083 PolarHBondContact O-OG1 3.15Å; T1083-S1085 PolarHBondContact O-N 3.36Å; T1083-A1086 VanDerWaalsContact O-CB 3.31Å; T1083-A1086 WeakPolarHBondContact O-CB 3.25Å; T1083-A1086 PolarHBondContact O-N 3.35Å; T1083-A1086 VanDerWaalsContact O-N 3.12Å |
| 1084 | E | 46.8 | Very low | 46.9 | Very low | 160 Ų | 160 | 118.8 Ų | 118.8 | 75% | 0.748 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.4 | -26.6 | 178 | -168.8 | 174.5 | 175.6 | 0 | 0 | 113 | N1080 A1086 | N1080-E1084 PolarHBondContact O-N 2.74Å; N1080-E1084 VanDerWaalsContact O-N 3.1Å; E1084-A1086 VanDerWaalsContact C-N 3.27Å; E1084-A1086 PolarHBondContact O-N 3.08Å |
| 1085 | S | 45.2 | Very low | 45.6 | Very low | 82 Ų | 82 | 124.1 Ų | 124.1 | 57% | 0.573 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -2.9 | 175.8 | 33.7 | 0 | 0 | 0 | 0 | 114.4 | S1081 T1083 | S1081-S1085 PolarHBondContact O-OG 3.25Å; S1081-S1085 VanDerWaalsContact O-OG 3.11Å; T1083-S1085 PolarHBondContact O-N 3.36Å |
| 1086 | A | 42.7 | Very low | 44.7 | Very low | 66 Ų | 66 | 125.9 Ų | 125.9 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.1 | -24 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1083 E1084 S1088 | T1083-A1086 VanDerWaalsContact O-CB 3.31Å; T1083-A1086 WeakPolarHBondContact O-CB 3.25Å; T1083-A1086 PolarHBondContact O-N 3.35Å; T1083-A1086 VanDerWaalsContact O-N 3.12Å; E1084-A1086 VanDerWaalsContact C-N 3.27Å; E1084-A1086 PolarHBondContact O-N 3.08Å; A1086-S1088 PolarHBondContact O-N 2.81Å |
| 1087 | D | 45.2 | Very low | 43.8 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | | | trans | -80.1 | 5.7 | -178.2 | -72.6 | -30.9 | 0 | 0 | 0 | 113.9 | I1089 | D1087-I1089 VanDerWaalsContact C-N 3.26Å; D1087-I1089 PolarHBondContact O-N 3.47Å |
| 1088 | S | 43.6 | Very low | 43.3 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 70% | 0.699 | S | S | * | * | | | trans | -83.5 | 57.7 | 177.1 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | A1086 E1090 | A1086-S1088 PolarHBondContact O-N 2.81Å; S1088-E1090 PolarHBondContact O-N 3.3Å |
| 1089 | I | 43.6 | Very low | 42.6 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | | | trans | -86.9 | 106.2 | 174.1 | -59.3 | 179.5 | 0 | 0 | 0 | 109.6 | D1087 I1091 | D1087-I1089 VanDerWaalsContact C-N 3.26Å; D1087-I1089 PolarHBondContact O-N 3.47Å; I1089-I1091 HydrophobicContact CG2-CG1 4.43Å; I1089-I1091 PolarHBondContact O-N 3.31Å |
| 1090 | E | 41.7 | Very low | 41.7 | Very low | 189 Ų | 189 | 137 Ų | 137 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | | | trans | -70.1 | 106.2 | 171.3 | -65.4 | -174.1 | 151 | 0 | 0 | 110.6 | S1088 Y1092 | S1088-E1090 PolarHBondContact O-N 3.3Å; E1090-Y1092 PolarHBondContact O-N 3.17Å |
| 1091 | I | 39.6 | Very low | 41.4 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | trans | -83.5 | 104 | 175.3 | -59 | 178.3 | 0 | 0 | 0 | 109 | I1089 I1093 | I1089-I1091 HydrophobicContact CG2-CG1 4.43Å; I1089-I1091 PolarHBondContact O-N 3.31Å; I1091-I1093 HydrophobicContact CG2-CG1 4.48Å; I1091-I1093 PolarHBondContact O-N 3.45Å |
| 1092 | Y | 33.9 | Very low | 40.9 | Very low | 219 Ų | 219 | 142.7 Ų | 142.7 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | | | trans | -74.7 | 104.4 | 176 | -158.4 | -87.9 | 0 | 0 | 0 | 110.6 | E1090 P1094 | E1090-Y1092 PolarHBondContact O-N 3.17Å; Y1092-P1094 WeakPolarHBondContact O-CD 3.21Å |
| 1093 | I | 39.7 | Very low | 40.7 | Very low | 139 Ų | 139 | 147 Ų | 147 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | trans | -83.7 | 117.3 | 175.9 | -58.1 | 175.1 | 0 | 0 | 0 | 108.7 | I1091 | I1091-I1093 HydrophobicContact CG2-CG1 4.48Å; I1091-I1093 PolarHBondContact O-N 3.45Å |
| 1094 | P | 38.1 | Very low | 40.2 | Very low | 103 Ų | 103 | 150.6 Ų | 150.6 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | trans | -73.1 | 129.2 | 174.4 | 29.8 | -33.1 | 0 | 0 | 0 | 110.6 | Y1092 A1096 | Y1092-P1094 WeakPolarHBondContact O-CD 3.21Å; P1094-A1096 PolarHBondContact O-N 3.14Å |
| 1095 | E | 35.2 | Very low | 39.8 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | | | trans | -64.6 | 106.7 | 175.3 | -69.8 | -170.4 | 129.8 | 0 | 0 | 111.3 | Q1097 | E1095-Q1097 PolarHBondContact O-N 3.16Š|
| 1096 | A | 36.5 | Very low | 39.4 | Very low | 88 Ų | 88 | 154.5 Ų | 154.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -73.1 | 110 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | P1094 T1098 | P1094-A1096 PolarHBondContact O-N 3.14Å; A1096-T1098 PolarHBondContact O-N 3.37Å |
| 1097 | Q | 41.1 | Very low | 39.2 | Very low | 182 Ų | 182 | 160.9 Ų | 160.9 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | | | trans | -68.5 | 86.9 | 177.9 | -68.6 | -175.4 | -10.7 | 0 | 0 | 112.3 | E1095 R1099 | E1095-Q1097 PolarHBondContact O-N 3.16Å; Q1097-R1099 PolarHBondContact O-N 2.85Å; Q1097-R1099 VanDerWaalsContact O-N 3.17Å |
| 1098 | T | 39.6 | Very low | 38.7 | Very low | 136 Ų | 136 | 161.8 Ų | 161.8 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | | | trans | -79.6 | 92.4 | 166.5 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | A1096 | A1096-T1098 PolarHBondContact O-N 3.37Š|
| 1099 | R | 37.9 | Very low | 38.3 | Very low | 227 Ų | 227 | 167 Ų | 167 | 86% | 0.857 | 84% | 0.836 | S | S | * | * | | | trans | -79 | 111.3 | 160 | -76.5 | -177.8 | 170.3 | -163.6 | -2 | 109.7 | Q1097 | Q1097-R1099 PolarHBondContact O-N 2.85Å; Q1097-R1099 VanDerWaalsContact O-N 3.17Å |
| 1100 | L | 32.8 | Very low | 37.8 | Very low | 250 Ų | 250 | 169.9 Ų | 169.9 | 100% | 1.309 | 85% | 0.849 | S | S | * | * | | | trans | -178 | 0 | 136.2 | -100.2 | 161.5 | 0 | 0 | 0 | 110 | | |