| 1 | M | 29.1 | Very low | 32.4 | Very low | 231 Ų | 231 | 152.3 Ų | 152.3 | 100% | 1.138 | 81% | 0.809 | S | S | * | * | | | | 0 | 151 | 0 | -60.5 | 175.3 | 177.3 | 0 | 0 | 107.9 | | |
| 2 | P | 42.3 | Very low | 32.3 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | | | cis | -92.6 | 168.2 | -24.3 | 1.6 | 22.3 | 0 | 0 | 0 | 110.3 | | |
| 3 | I | 35.2 | Very low | 32.5 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | | | cis | 74.6 | 133.3 | 42.9 | -54.6 | 164.5 | 0 | 0 | 0 | 110.1 | | |
| 4 | S | 33.8 | Very low | 32.8 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | | | cis | -153.3 | 165.1 | 14.3 | 38.8 | 0 | 0 | 0 | 0 | 114 | | |
| 5 | D | 34.4 | Very low | 33 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | | | trans | -65 | 172.5 | 155.5 | -41.3 | -102.7 | 0 | 0 | 0 | 112.9 | | |
| 6 | W | 31 | Very low | 33 | Very low | 222 Ų | 222 | 142.6 Ų | 142.6 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | | | | 179 | 178.7 | 107.6 | -104.4 | 81 | 0 | 0 | 0 | 113.4 | | |
| 7 | R | 27.4 | Very low | 33.1 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | | | trans | -94.7 | 173.2 | -164.7 | -64.5 | 172.8 | 165.7 | 176.8 | -5.1 | 115.2 | | |
| 8 | T | 31.4 | Very low | 32.9 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | | | trans | 72.9 | 114.1 | 145.1 | 32.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 9 | S | 27.8 | Very low | 32.7 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | | | | 20.9 | 109.3 | 129.9 | 178.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 10 | F | 32.4 | Very low | 32.6 | Very low | 207 Ų | 207 | 147.1 Ų | 147.1 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | | | | -174.9 | 151.7 | 119 | -109.6 | -75.3 | 0 | 0 | 0 | 111.1 | | |
| 11 | G | 31.2 | Very low | 32.5 | Very low | 75 Ų | 75 | 147 Ų | 147 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | 60.3 | 88.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 12 | G | 31.8 | Very low | 32.6 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 96% | 0.959 | 78% | 0.784 | S | S | * | * | | | trans | -91.9 | 116.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 13 | G | 34.5 | Very low | 32.2 | Very low | 76 Ų | 76 | 143.7 Ų | 143.7 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | -125.2 | 146.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 14 | E | 37 | Very low | 32.4 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -76.2 | 149.1 | -172.7 | -64.5 | -171.7 | 92.2 | 0 | 0 | 114.3 | | |
| 15 | G | 35.3 | Very low | 32.5 | Very low | 77 Ų | 77 | 142.5 Ų | 142.5 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -167.3 | 102.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 16 | K | 33.8 | Very low | 32.7 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -79 | 162.1 | 169.2 | -62.3 | 150.9 | -175 | 156.2 | 0 | 108.1 | | |
| 17 | T | 33.7 | Very low | 32.9 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | | | cis | -165.8 | 163.7 | 40 | -42.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 18 | T | 30.7 | Very low | 33.1 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 61% | 0.613 | 77% | 0.773 | S | S | * | * | | | trans | -87 | 166.1 | 177.8 | 46.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 19 | W | 29.5 | Very low | 33.2 | Very low | 211 Ų | 211 | 137.7 Ų | 137.7 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | | 162.3 | 142.9 | 112.7 | -85.4 | 116.8 | 0 | 0 | 0 | 117.1 | | |
| 20 | R | 29.6 | Very low | 33.3 | Very low | 219 Ų | 219 | 140.4 Ų | 140.4 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | | | trans | 70.3 | 139.3 | 161.6 | -64.5 | 170.8 | -176.2 | -170.8 | 0 | 117.5 | | |
| 21 | I | 30.7 | Very low | 33.2 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | cis | 83.4 | 129.5 | 22.3 | -54.7 | 164.7 | 0 | 0 | 0 | 113.2 | | |
| 22 | N | 31.4 | Very low | 33.1 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | | | cis | -116.5 | -146.8 | 5.6 | -150.8 | 2.7 | 0 | 0 | 0 | 110.9 | | |
| 23 | V | 34.6 | Very low | 33.1 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | cis | -140.3 | 172.9 | 11.9 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 24 | A | 38.3 | Very low | 32.9 | Very low | 86 Ų | 86 | 143.4 Ų | 143.4 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | -123.4 | 158.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 25 | N | 36.7 | Very low | 33.1 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | -156 | 169.2 | 137.4 | -132.6 | -19.6 | 0 | 0 | 0 | 114.8 | | |
| 26 | Q | 37.8 | Very low | 32.8 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | | | trans | -70.3 | 167.5 | -163 | -63.2 | 159.6 | -9.9 | 0 | 0 | 115.5 | | |
| 27 | F | 34.5 | Very low | 32.9 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | | | | -161.6 | 138.3 | 53.1 | -107.8 | -96.3 | 0 | 0 | 0 | 116.7 | | |
| 28 | F | 33.3 | Very low | 32.7 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 69% | 0.693 | 74% | 0.741 | S | S | * | * | | | trans | 69.4 | 120.6 | 136.9 | -88.1 | -147.2 | 0 | 0 | 0 | 126.6 | | |
| 29 | L | 32.6 | Very low | 32.9 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | | | | 69.2 | 145.4 | 124.4 | -65.9 | -164.1 | 0 | 0 | 0 | 122.3 | | |
| 30 | K | 29.8 | Very low | 33 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | cis | -169.2 | 124.6 | -13.9 | -159.6 | -178.4 | -170.9 | -179.9 | 0 | 112.9 | | |
| 31 | W | 29.7 | Very low | 33.1 | Very low | 228 Ų | 228 | 133.9 Ų | 133.9 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | | | trans | 58.5 | 161.8 | 139.8 | -69.7 | 42.1 | 0 | 0 | 0 | 121.1 | | |
| 32 | S | 30.6 | Very low | 33.3 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | | | cis | -163 | 167.7 | -21.6 | -97.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 33 | A | 30.5 | Very low | 33.3 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | | | trans | -87.8 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 34 | A | 31.4 | Very low | 33 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | | | trans | -88.1 | 157.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 35 | P | 40 | Very low | 32.8 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | | | | -159.5 | 168.9 | 96 | 42.3 | -24.1 | 0 | 0 | 0 | 117.7 | | |
| 36 | R | 30.5 | Very low | 32.4 | Very low | 220 Ų | 220 | 134.7 Ų | 134.7 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | | | trans | 59.5 | 160.6 | 139.8 | -76.8 | 178.8 | -164.2 | -177.2 | 3.3 | 120.4 | | |
| 37 | D | 34.3 | Very low | 32.3 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | cis | -151.6 | 163.7 | 2.1 | -105.8 | -33.5 | 0 | 0 | 0 | 111.5 | | |
| 38 | S | 29.5 | Very low | 32.2 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | trans | 25.9 | 164.7 | 141.9 | -126.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 39 | V | 35.7 | Very low | 32.3 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | | | cis | -136.9 | -123.6 | 12.8 | -157.1 | 0 | 0 | 0 | 0 | 113 | | |
| 40 | T | 32 | Very low | 32.3 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | | | trans | -156.4 | 154.7 | -162.7 | 57.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 41 | G | 32 | Very low | 32.6 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | | | trans | 119.7 | 146.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 42 | L | 34.5 | Very low | 33.2 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | | | cis | -159.4 | 157.6 | -4 | -150.8 | 81.4 | 0 | 0 | 0 | 111.4 | | |
| 43 | L | 31 | Very low | 33.6 | Very low | 150 Ų | 150 | 126.4 Ų | 126.4 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | trans | 3.2 | 150 | 154.3 | -68.9 | 167.3 | 0 | 0 | 0 | 121.4 | | |
| 44 | C | 28.3 | Very low | 33.9 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | | | cis | -172.7 | 179 | -7.6 | -162.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 45 | L | 34 | Very low | 34.1 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | | | trans | 74.3 | 151.3 | 173.2 | -55.8 | 167.2 | 0 | 0 | 0 | 117.8 | | |
| 46 | S | 29.3 | Very low | 33.5 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | cis | -169.8 | 140.1 | -32.9 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 47 | T | 33.9 | Very low | 33.3 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 61% | 0.613 | 73% | 0.729 | S | S | * | * | | | trans | 77.4 | 116.8 | 168.4 | 72.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 48 | C | 33.9 | Very low | 33.7 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | | | trans | 58.9 | 138.9 | 131.3 | -64.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 49 | Q | 34.8 | Very low | 33.8 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | | | cis | -157.3 | 145.4 | -5 | -159.7 | 131.3 | -6.3 | 0 | 0 | 108.3 | D51 | Q49-D51 PolarHBondContact NE2-OD2 3.44Š|
| 50 | Y | 32.8 | Very low | 33.3 | Very low | 204 Ų | 204 | 129.6 Ų | 129.6 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | | | | -163.6 | 150.8 | 88.8 | -110 | -85.8 | 0 | 0 | 0 | 113.3 | | |
| 51 | D | 36.4 | Very low | 33.1 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 51% | 0.513 | 73% | 0.729 | S | S | . | * | | | trans | -73.9 | 178.1 | 178.2 | -61 | -87.6 | 0 | 0 | 0 | 114.4 | Q49 | Q49-D51 PolarHBondContact NE2-OD2 3.44Š|
| 52 | P | 42.8 | Very low | 32.9 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 72% | 0.717 | S | S | * | * | | | cis | -123.9 | 151.1 | -2 | 11.9 | 14.7 | 0 | 0 | 0 | 115.9 | | |
| 53 | L | 38.7 | Very low | 33.1 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | | | | 61.2 | 142.2 | 85.3 | -46 | -171.9 | 0 | 0 | 0 | 114.9 | | |
| 54 | L | 37.1 | Very low | 33.4 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | | | cis | -165.1 | 167.3 | -1.7 | -139.9 | 74.2 | 0 | 0 | 0 | 106.2 | | |
| 55 | F | 35.3 | Very low | 33.7 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | | | cis | -155.9 | 163.6 | -13.4 | -144.5 | -133.4 | 0 | 0 | 0 | 104.9 | | |
| 56 | Q | 26.3 | Very low | 33.8 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | | | cis | 79.4 | 154.6 | 24.9 | -64.9 | 175.5 | -14.2 | 0 | 0 | 116.3 | | |
| 57 | S | 25.9 | Very low | 34.2 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | | | trans | -128.4 | -132 | -160.1 | 50.1 | 0 | 0 | 0 | 0 | 115 | | |
| 58 | P | 44.7 | Very low | 34.5 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 71% | 0.708 | 72% | 0.718 | S | S | * | * | | | trans | -123.4 | -174.2 | -138 | 39.8 | -19.9 | 0 | 0 | 0 | 117.9 | | |
| 59 | L | 31 | Very low | 34.5 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | | | trans | 84.5 | 156.6 | 153.7 | -102.1 | 156.2 | 0 | 0 | 0 | 121.2 | | |
| 60 | C | 25.4 | Very low | 35 | Very low | 111 Ų | 111 | 139 Ų | 139 | 75% | 0.75 | 73% | 0.727 | S | S | * | * | | | trans | 70.4 | 169.9 | 165.9 | -69 | 0 | 0 | 0 | 0 | 119.6 | | |
| 61 | R | 27.7 | Very low | 35.1 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | | | cis | -170.3 | 140.5 | -46.4 | -162.6 | -174.1 | 179.1 | 154.8 | 5.1 | 108.9 | | |
| 62 | D | 28 | Very low | 35.1 | Very low | 88 Ų | 88 | 135.2 Ų | 135.2 | 47% | 0.471 | 74% | 0.742 | S | S | . | * | | | trans | 63.9 | 145.3 | 163.6 | -65.2 | -31.1 | 0 | 0 | 0 | 121.3 | R1653 | D62-R1653 IonicContact OD1-CZ 2.64Å; D62-R1653 IonicContact OD1-NH1 3.25Å; D62-R1653 PolarHBondContact OD1-NH1 2.95Å; D62-R1653 IonicContact OD1-NH2 2.98Å; D62-R1653 PolarHBondContact OD1-NH2 3.09Å; D62-R1653 IonicContact OD2-NH1 2.65Å; D62-R1653 PolarHBondContact OD2-NH1 2.78Å |
| 63 | C | 37.7 | Very low | 34.8 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | | | trans | -132 | 127.2 | 172.8 | -69.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 64 | S | 36.7 | Very low | 34.5 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | | | trans | 170.6 | 160.1 | 156.9 | 62.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 65 | K | 36.1 | Very low | 34.7 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | S | Bend | cis | -125.3 | 144.7 | -14.3 | -87.8 | 99.5 | -164.1 | 155.3 | 0 | 106.2 | | |
| 66 | R | 35.5 | Very low | 34.7 | Very low | 212 Ų | 212 | 138.8 Ų | 138.8 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | S | Bend | cis | -130 | -160.1 | -1 | -44.9 | -178 | -174.7 | 180 | 1.3 | 108.6 | | |
| 67 | D | 37.8 | Very low | 35.4 | Very low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 77% | 0.77 | S | S | * | * | | | cis | -144.8 | 174.4 | -3.4 | -136 | -27.1 | 0 | 0 | 0 | 110.3 | | |
| 68 | C | 40.5 | Very low | 36.4 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | | | trans | -104.7 | 145.5 | -161.8 | -55.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 69 | F | 34.2 | Very low | 36.6 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | | -173.2 | 168.7 | 104.2 | -119.1 | -93.7 | 0 | 0 | 0 | 112.9 | V528 | F69-V528 HydrophobicContact CZ-CG1 3.99Š|
| 70 | C | 45.1 | Very low | 37.5 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | trans | -128.6 | 130.5 | -172.6 | -56 | 0 | 0 | 0 | 0 | 114.1 | | |
| 71 | V | 33.2 | Very low | 38.6 | Very low | 150 Ų | 150 | 133 Ų | 133 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | | | trans | -152 | 138 | 145.1 | -172 | 0 | 0 | 0 | 0 | 104.5 | | |
| 72 | G | 37.9 | Very low | 39.6 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | cis | 126.9 | 90 | 6.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 73 | E | 35.1 | Very low | 40.5 | Very low | 202 Ų | 202 | 134.6 Ų | 134.6 | 94% | 0.944 | 78% | 0.781 | S | S | * | * | | | trans | -139.9 | 162.6 | 176.7 | -142.6 | 174.7 | -135.6 | 0 | 0 | 113.1 | | |
| 74 | K | 33.8 | Very low | 40.7 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | | | trans | -102.3 | 98.5 | -148.1 | -177.3 | -179.2 | 177.6 | -178.4 | 0 | 112 | | |
| 75 | G | 41.3 | Very low | 41 | Very low | 72 Ų | 72 | 134.6 Ų | 134.6 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 135.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 76 | N | 35.2 | Very low | 41.7 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67 | 156.5 | 178 | -71.4 | -43.4 | 0 | 0 | 0 | 111.7 | G78 | N76-G78 PolarHBondContact O-N 3.47Š|
| 77 | L | 40.2 | Very low | 42 | Very low | 172 Ų | 172 | 124.6 Ų | 124.6 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 124.7 | 172 | -114 | 73 | 0 | 0 | 0 | 109.9 | | |
| 78 | G | 47.7 | Very low | 42.1 | Very low | 52 Ų | 52 | 127.7 Ų | 127.7 | 54% | 0.536 | 79% | 0.785 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 159.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N76 | N76-G78 PolarHBondContact O-N 3.47Š|
| 79 | P | 47.4 | Very low | 42.2 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 146.6 | 169 | 27 | -34.6 | 0 | 0 | 0 | 109.5 | G81 | P79-G81 PolarHBondContact O-N 3.21Å; P79-G81 VanDerWaalsContact O-N 3.16Å |
| 80 | P | 50.9 | Low | 42.5 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 125.8 | 173.9 | -25.8 | 34.6 | 0 | 0 | 0 | 110 | | |
| 81 | G | 49.1 | Very low | 42.2 | Very low | 61 Ų | 61 | 129.8 Ų | 129.8 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 146.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | P79 Q83 | P79-G81 PolarHBondContact O-N 3.21Å; P79-G81 VanDerWaalsContact O-N 3.16Å; G81-Q83 PolarHBondContact O-N 2.96Å |
| 82 | P | 48.3 | Very low | 42.8 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 135.5 | 176 | 24.4 | -34 | 0 | 0 | 0 | 109.1 | G84 | P82-G84 PolarHBondContact O-N 2.99Š|
| 83 | Q | 45.9 | Very low | 42.7 | Very low | 190 Ų | 190 | 128.1 Ų | 128.1 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 118.6 | -176.1 | -178.1 | 176.5 | -1 | 0 | 0 | 109.4 | G81 L85 | G81-Q83 PolarHBondContact O-N 2.96Å; Q83-L85 PolarHBondContact O-N 3.24Å |
| 84 | G | 42.5 | Very low | 42.7 | Very low | 59 Ų | 59 | 126.8 Ų | 126.8 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 136.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P82 | P82-G84 PolarHBondContact O-N 2.99Š|
| 85 | L | 44.2 | Very low | 43.2 | Very low | 165 Ų | 165 | 123.7 Ų | 123.7 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -45.7 | 131.1 | 176.2 | -72.8 | 170.9 | 0 | 0 | 0 | 109.2 | Q83 G87 | Q83-L85 PolarHBondContact O-N 3.24Å; L85-G87 PolarHBondContact O-N 3.13Å |
| 86 | P | 50.6 | Low | 43.3 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | | | trans | -48.1 | 120.6 | 176.7 | -28.8 | 35.3 | 0 | 0 | 0 | 109.5 | M88 | P86-M88 PolarHBondContact O-N 3.17Š|
| 87 | G | 42.2 | Very low | 43.5 | Very low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | -51.2 | 130.8 | -170 | 0 | 0 | 0 | 0 | 0 | 110.4 | L85 K89 | L85-G87 PolarHBondContact O-N 3.13Å; G87-K89 PolarHBondContact O-N 3.14Å |
| 88 | M | 39 | Very low | 43.3 | Very low | 186 Ų | 186 | 122.5 Ų | 122.5 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | | | trans | -45.5 | 119.9 | -175.1 | -72.1 | 179.1 | 69.2 | 0 | 0 | 109.6 | P86 G90 | P86-M88 PolarHBondContact O-N 3.17Å; M88-G90 PolarHBondContact O-N 2.97Å |
| 89 | K | 42.7 | Very low | 42.8 | Very low | 207 Ų | 207 | 123.1 Ų | 123.1 | 90% | 0.9 | 78% | 0.775 | S | S | * | * | | | trans | -47.7 | 116.1 | -179.7 | -174.8 | 179.8 | -177.6 | -178.7 | 0 | 107.5 | G87 L91 | G87-K89 PolarHBondContact O-N 3.14Å; K89-L91 PolarHBondContact O-N 2.98Å |
| 90 | G | 39.6 | Very low | 42.3 | Very low | 61 Ų | 61 | 125.3 Ų | 125.3 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | | | trans | -49.8 | 136.8 | -165.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M88 P92 | M88-G90 PolarHBondContact O-N 2.97Å; G90-P92 VanDerWaalsContact O-N 3.12Å |
| 91 | L | 39 | Very low | 41.8 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | | | trans | -44 | 122.4 | 178.5 | -81.3 | 162.6 | 0 | 0 | 0 | 108.8 | K89 G93 | K89-L91 PolarHBondContact O-N 2.98Å; L91-G93 PolarHBondContact O-N 3.44Å; L91-G93 VanDerWaalsContact O-N 3.16Å |
| 92 | P | 45.3 | Very low | 41.4 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -50.6 | 127.4 | 171.8 | -25.8 | 34.7 | 0 | 0 | 0 | 108.2 | G90 F94 | G90-P92 VanDerWaalsContact O-N 3.12Å; P92-F94 PolarHBondContact O-N 3.26Å |
| 93 | G | 36.9 | Very low | 41 | Very low | 67 Ų | 67 | 124.9 Ų | 124.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | -53.4 | 137.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | L91 P95 | L91-G93 PolarHBondContact O-N 3.44Å; L91-G93 VanDerWaalsContact O-N 3.16Å; G93-P95 VanDerWaalsContact O-N 3.14Å |
| 94 | F | 34.7 | Very low | 40.6 | Very low | 175 Ų | 175 | 125 Ų | 125 | 77% | 0.768 | 77% | 0.774 | S | S | * | * | | | trans | -43.5 | 124 | 179.2 | -80.5 | -87 | 0 | 0 | 0 | 109.6 | P92 G96 | P92-F94 PolarHBondContact O-N 3.26Å; F94-G96 PolarHBondContact O-N 3.34Å; F94-G96 VanDerWaalsContact O-N 3.12Å |
| 95 | P | 44.3 | Very low | 40.6 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 124.9 | 174.5 | -27 | 35 | 0 | 0 | 0 | 108.8 | G93 | G93-P95 VanDerWaalsContact O-N 3.14Š|
| 96 | G | 42.8 | Very low | 40.2 | Very low | 62 Ų | 62 | 126.3 Ų | 126.3 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 137.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | F94 E98 | F94-G96 PolarHBondContact O-N 3.34Å; F94-G96 VanDerWaalsContact O-N 3.12Å; G96-E98 PolarHBondContact O-N 3.01Å; G96-E98 VanDerWaalsContact O-N 3.14Å |
| 97 | P | 40.1 | Very low | 39.5 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 125.9 | -176.6 | 22 | -33.3 | 0 | 0 | 0 | 109.2 | G99 | P97-G99 PolarHBondContact O-N 2.76Š|
| 98 | E | 36.1 | Very low | 39.4 | Very low | 183 Ų | 183 | 130.1 Ų | 130.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -55.8 | 113 | -166.7 | -169.2 | 170.5 | -147.8 | 0 | 0 | 109.9 | G96 L100 | G96-E98 PolarHBondContact O-N 3.01Å; G96-E98 VanDerWaalsContact O-N 3.14Å; E98-L100 PolarHBondContact O-N 3.28Å; E98-L100 VanDerWaalsContact O-N 3.11Å |
| 99 | G | 36.8 | Very low | 38.8 | Very low | 64 Ų | 64 | 129.9 Ų | 129.9 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | | | trans | -60.8 | 119 | -171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | P97 P101 | P97-G99 PolarHBondContact O-N 2.76Å; G99-P101 VanDerWaalsContact O-N 3.07Å |
| 100 | L | 36.6 | Very low | 38.9 | Very low | 167 Ų | 167 | 122.3 Ų | 122.3 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | trans | -37.3 | 115.3 | -176.1 | -76 | 173.4 | 0 | 0 | 0 | 110.5 | E98 G102 | E98-L100 PolarHBondContact O-N 3.28Å; E98-L100 VanDerWaalsContact O-N 3.11Å; L100-G102 PolarHBondContact O-N 3.27Å |
| 101 | P | 42 | Very low | 38.9 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | | | trans | -52.3 | 106.9 | -168.7 | -32.7 | 36.6 | 0 | 0 | 0 | 112.1 | G99 | G99-P101 VanDerWaalsContact O-N 3.07Š|
| 102 | G | 39.4 | Very low | 38.7 | Very low | 63 Ų | 63 | 117.8 Ų | 117.8 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | | | trans | -56.6 | 127.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | L100 K104 | L100-G102 PolarHBondContact O-N 3.27Å; G102-K104 PolarHBondContact O-N 2.85Å; G102-K104 VanDerWaalsContact O-N 3.13Å |
| 103 | P | 40 | Very low | 38.3 | Very low | 129 Ų | 129 | 117.1 Ų | 117.1 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | | | trans | -56.1 | 125.2 | -177 | 22.3 | -32.7 | 0 | 0 | 0 | 109 | G105 | P103-G105 PolarHBondContact O-N 3.21Š|
| 104 | K | 37.3 | Very low | 38.4 | Very low | 191 Ų | 191 | 116.5 Ų | 116.5 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | | | trans | -52.5 | 109.9 | -172 | -179.2 | -167.4 | 174.4 | -161.3 | 0 | 109.5 | G102 E106 | G102-K104 PolarHBondContact O-N 2.85Å; G102-K104 VanDerWaalsContact O-N 3.13Å; K104-E106 PolarHBondContact O-N 3.12Å |
| 105 | G | 43.5 | Very low | 38.3 | Very low | 74 Ų | 74 | 114.4 Ų | 114.4 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | | | trans | -63.4 | 100.7 | -172 | 0 | 0 | 0 | 0 | 0 | 112.8 | P103 | P103-G105 PolarHBondContact O-N 3.21Š|
| 106 | E | 36.2 | Very low | 38 | Very low | 179 Ų | 179 | 117.3 Ų | 117.3 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | | | trans | -74.7 | 126 | 168.7 | -62.1 | -168.2 | 145.1 | 0 | 0 | 109.6 | K104 | K104-E106 PolarHBondContact O-N 3.12Š|
| 107 | K | 36.2 | Very low | 37.7 | Very low | 211 Ų | 211 | 117.2 Ų | 117.2 | 92% | 0.917 | 73% | 0.733 | S | S | * | * | | | trans | -131.6 | 95 | 177.2 | -174.3 | -178.4 | -179 | 180 | 0 | 108.3 | | |
| 108 | G | 39.2 | Very low | 37.5 | Very low | 57 Ų | 57 | 120 Ų | 120 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | | | cis | 135.4 | 172.8 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P110 | G108-P110 WeakPolarHBondContact O-CD 3.3Š|
| 109 | E | 26.1 | Very low | 37.3 | Very low | 180 Ų | 180 | 121.1 Ų | 121.1 | 84% | 0.841 | 74% | 0.737 | S | S | * | * | | | trans | -102.3 | 92.5 | 167.3 | -71.5 | -164.8 | 167.5 | 0 | 0 | 109.8 | A1244 | E109-A1244 HydrophobicContact CB-CB 4.27Š|
| 110 | P | 44.3 | Very low | 37.4 | Very low | 48 Ų | 48 | 121 Ų | 121 | 31% | 0.312 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 133.6 | -173.4 | 25.5 | -36 | 0 | 0 | 0 | 112.8 | G108 A1244 K1245 | G108-P110 WeakPolarHBondContact O-CD 3.3Å; P110-A1244 HydrophobicContact CG-CB 4.35Å; P110-A1244 CarbonylContact O-C 2.91Å; P110-A1244 WeakPolarHBondContact O-CA 3.43Å; P110-A1244 VanDerWaalsContact O-CB 3.23Å; P110-A1244 WeakPolarHBondContact O-CB 3.31Å; P110-K1245 HydrophobicContact CB-CB 3.92Å; P110-K1245 HydrophobicContact CB-CD 4.12Å; P110-K1245 HydrophobicContact CB-CG 3.9Å; P110-K1245 HydrophobicContact CG-CB 4.09Å; P110-K1245 HydrophobicContact CG-CG 4.3Å; P110-K1245 WeakPolarHBondContact CG-O 3.5Å; P110-K1245 PolarHBondContact O-N 2.74Å |
| 111 | G | 40.8 | Very low | 37.2 | Very low | 42 Ų | 42 | 120.1 Ų | 120.1 | 43% | 0.433 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 162.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K1245 | G111-K1245 WeakPolarHBondContact O-CB 3.27Å; G111-K1245 WeakPolarHBondContact O-CD 3.27Å |
| 112 | P | 33.7 | Very low | 37.2 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 164.5 | -179.9 | 26.9 | -35.8 | 0 | 0 | 0 | 112.9 | G114 | P112-G114 PolarHBondContact O-N 2.88Š|
| 113 | A | 38.6 | Very low | 37.3 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | | | trans | -62.7 | 104.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 114 | G | 38.8 | Very low | 37 | Very low | 55 Ų | 55 | 128.3 Ų | 128.3 | 57% | 0.567 | 74% | 0.735 | S | S | * | * | | | trans | -61.5 | 161.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P112 | P112-G114 PolarHBondContact O-N 2.88Š|
| 115 | P | 31.7 | Very low | 37.1 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 84% | 0.844 | 73% | 0.729 | S | S | * | * | | | trans | -55.5 | 143.7 | 179.2 | 25.3 | -34.7 | 0 | 0 | 0 | 110.6 | G117 | P115-G117 PolarHBondContact O-N 3.15Š|
| 116 | M | 38.4 | Very low | 36.9 | Very low | 184 Ų | 184 | 125 Ų | 125 | 91% | 0.906 | 72% | 0.722 | S | S | * | * | | | trans | -57.7 | 95.7 | -177.5 | 176.9 | 169.7 | 54.2 | 0 | 0 | 110.6 | H118 | M116-H118 PolarHBondContact O-N 3.37Š|
| 117 | G | 36.8 | Very low | 36.9 | Very low | 59 Ų | 59 | 122.7 Ų | 122.7 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | | | trans | -57 | 136.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P115 K119 | P115-G117 PolarHBondContact O-N 3.15Å; G117-K119 PolarHBondContact O-N 3.16Å; G117-K119 VanDerWaalsContact O-N 3.14Å |
| 118 | H | 34.5 | Very low | 37.1 | Very low | 191 Ų | 191 | 117.8 Ų | 117.8 | 88% | 0.884 | 71% | 0.709 | S | S | * | * | | | trans | -50.1 | 125.5 | 177.4 | -68.2 | -90.6 | 0 | 0 | 0 | 109.3 | M116 G120 | M116-H118 PolarHBondContact O-N 3.37Å; H118-G120 PolarHBondContact O-N 3.27Å |
| 119 | K | 33.6 | Very low | 37 | Very low | 206 Ų | 206 | 118.2 Ų | 118.2 | 90% | 0.896 | 71% | 0.714 | S | S | * | * | | | trans | -53.2 | 101.2 | 179.8 | 177.6 | -177.1 | 179.3 | 178.8 | 0 | 108.4 | G117 D121 | G117-K119 PolarHBondContact O-N 3.16Å; G117-K119 VanDerWaalsContact O-N 3.14Å; K119-D121 PolarHBondContact O-N 2.78Å |
| 120 | G | 38.5 | Very low | 37.3 | Very low | 62 Ų | 62 | 119.1 Ų | 119.1 | 64% | 0.639 | 72% | 0.716 | S | S | * | * | | | trans | -53.4 | 134.3 | -171 | 0 | 0 | 0 | 0 | 0 | 110.6 | H118 R122 | H118-G120 PolarHBondContact O-N 3.27Å; G120-R122 PolarHBondContact O-N 3.47Å; G120-R122 VanDerWaalsContact O-N 3.16Å |
| 121 | D | 32.5 | Very low | 37.4 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | | | trans | -49.8 | 126.3 | 178.8 | -79.7 | -56.2 | 0 | 0 | 0 | 109.2 | K119 G123 | K119-D121 PolarHBondContact O-N 2.78Å; D121-G123 PolarHBondContact O-N 3.04Å |
| 122 | R | 40.4 | Very low | 37.3 | Very low | 225 Ų | 225 | 123.5 Ų | 123.5 | 85% | 0.849 | 75% | 0.748 | S | S | * | * | | | trans | -57.2 | 106.4 | -179.2 | -177.2 | -177.9 | -169.8 | 165.9 | 4.8 | 107 | G120 K124 | G120-R122 PolarHBondContact O-N 3.47Å; G120-R122 VanDerWaalsContact O-N 3.16Å; R122-K124 PolarHBondContact O-N 2.99Å |
| 123 | G | 41.8 | Very low | 37.4 | Very low | 60 Ų | 60 | 126.6 Ų | 126.6 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | | | trans | -46.2 | 129.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | D121 I125 | D121-G123 PolarHBondContact O-N 3.04Å; G123-I125 PolarHBondContact O-N 3.47Å |
| 124 | K | 35.2 | Very low | 37.2 | Very low | 193 Ų | 193 | 128.9 Ų | 128.9 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | | | trans | -44 | 122.3 | -179.1 | -66.1 | 179.5 | -177.8 | 176.8 | 0 | 107.3 | R122 G126 | R122-K124 PolarHBondContact O-N 2.99Å; K124-G126 PolarHBondContact O-N 3.39Å |
| 125 | I | 39 | Very low | 37.3 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 70% | 0.703 | 76% | 0.761 | S | S | * | * | | | trans | -49.8 | 114.2 | -176.9 | -67.9 | 173.5 | 0 | 0 | 0 | 106.4 | G123 V127 | G123-I125 PolarHBondContact O-N 3.47Å; I125-V127 PolarHBondContact O-N 3.45Å |
| 126 | G | 39 | Very low | 37.6 | Very low | 60 Ų | 60 | 130.9 Ų | 130.9 | 62% | 0.619 | 76% | 0.761 | S | S | * | * | | | trans | -53 | 134.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | K124 P128 | K124-G126 PolarHBondContact O-N 3.39Å; G126-P128 WeakPolarHBondContact O-CD 3.44Å |
| 127 | V | 35.1 | Very low | 37.9 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | | | trans | -45.1 | 117.2 | -179 | -179.1 | 0 | 0 | 0 | 0 | 106.9 | I125 G129 | I125-V127 PolarHBondContact O-N 3.45Å; V127-G129 PolarHBondContact O-N 2.8Å |
| 128 | P | 42 | Very low | 38.3 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | | | trans | -51.7 | 119.5 | -174.2 | -29.7 | 35.8 | 0 | 0 | 0 | 108.3 | G126 F130 | G126-P128 WeakPolarHBondContact O-CD 3.44Å; P128-F130 PolarHBondContact O-N 3.29Å |
| 129 | G | 37.2 | Very low | 38.8 | Very low | 67 Ų | 67 | 127 Ų | 127 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | trans | -51.8 | 131 | -173.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | V127 P131 | V127-G129 PolarHBondContact O-N 2.8Å; G129-P131 WeakPolarHBondContact O-CD 3.48Å |
| 130 | F | 31.5 | Very low | 39.3 | Very low | 199 Ų | 199 | 126 Ų | 126 | 87% | 0.873 | 76% | 0.757 | S | S | * | * | | | trans | -44.6 | 121.5 | 178.3 | -76.4 | -87 | 0 | 0 | 0 | 108.1 | P128 G132 | P128-F130 PolarHBondContact O-N 3.29Å; F130-G132 PolarHBondContact O-N 2.72Å; F130-G132 VanDerWaalsContact O-N 3.08Å |
| 131 | P | 45.8 | Very low | 40.1 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | trans | -50.4 | 124.8 | 177.1 | -27.9 | 35.2 | 0 | 0 | 0 | 108.1 | G129 I133 | G129-P131 WeakPolarHBondContact O-CD 3.48Å; P131-I133 PolarHBondContact O-N 2.82Å |
| 132 | G | 39.7 | Very low | 40.6 | Very low | 63 Ų | 63 | 124.7 Ų | 124.7 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | | | trans | -51 | 127.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | F130 N134 | F130-G132 PolarHBondContact O-N 2.72Å; F130-G132 VanDerWaalsContact O-N 3.08Å; G132-N134 PolarHBondContact O-N 3.44Å |
| 133 | I | 35.6 | Very low | 40.9 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | | | trans | -55.5 | 110.6 | -174.9 | -55.1 | 171.8 | 0 | 0 | 0 | 106.9 | P131 G135 | P131-I133 PolarHBondContact O-N 2.82Å; I133-G135 PolarHBondContact O-N 3.3Å; I133-G135 VanDerWaalsContact O-N 3.08Å |
| 134 | N | 33.5 | Very low | 41.6 | Very low | 150 Ų | 150 | 123 Ų | 123 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | | | trans | -53.9 | 122.3 | 175.8 | -79.4 | -22.1 | 0 | 0 | 0 | 107 | G132 L136 | G132-N134 PolarHBondContact O-N 3.44Å; N134-L136 PolarHBondContact O-N 3.32Å; N134-L136 VanDerWaalsContact O-N 3.17Å |
| 135 | G | 41.8 | Very low | 42.3 | Very low | 67 Ų | 67 | 120 Ų | 120 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | | | trans | -51.3 | 126.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | I133 P137 | I133-G135 PolarHBondContact O-N 3.3Å; I133-G135 VanDerWaalsContact O-N 3.08Å; G135-P137 WeakPolarHBondContact O-CD 3.28Å |
| 136 | L | 37.3 | Very low | 43.1 | Very low | 161 Ų | 161 | 118.1 Ų | 118.1 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | | | trans | -44.5 | 117.9 | 179.8 | -80 | 164 | 0 | 0 | 0 | 108.7 | N134 G138 | N134-L136 PolarHBondContact O-N 3.32Å; N134-L136 VanDerWaalsContact O-N 3.17Å; L136-G138 PolarHBondContact O-N 3.1Å; L136-G138 VanDerWaalsContact O-N 3.15Å |
| 137 | P | 45.8 | Very low | 43.9 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | | | trans | -52 | 127.3 | 173.6 | -26.4 | 35 | 0 | 0 | 0 | 108 | G135 I139 | G135-P137 WeakPolarHBondContact O-CD 3.28Å; P137-I139 PolarHBondContact O-N 3.19Å; P137-I139 VanDerWaalsContact O-N 3.11Å |
| 138 | G | 44.8 | Very low | 44.4 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | trans | -50.1 | 123.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L136 Q140 | L136-G138 PolarHBondContact O-N 3.1Å; L136-G138 VanDerWaalsContact O-N 3.15Å; G138-Q140 PolarHBondContact O-N 3.4Å |
| 139 | I | 44 | Very low | 44.8 | Very low | 165 Ų | 165 | 118.3 Ų | 118.3 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | trans | -51.4 | 114.9 | -174.2 | -52.9 | 172.3 | 0 | 0 | 0 | 107.1 | P137 G141 | P137-I139 PolarHBondContact O-N 3.19Å; P137-I139 VanDerWaalsContact O-N 3.11Å; I139-G141 PolarHBondContact O-N 3.19Å |
| 140 | Q | 44.9 | Very low | 45.2 | Very low | 185 Ų | 185 | 118.1 Ų | 118.1 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57 | 120.3 | 178.6 | -174 | 173.4 | 10.6 | 0 | 0 | 106.9 | G138 | G138-Q140 PolarHBondContact O-N 3.4Š|
| 141 | G | 54.7 | Low | 45.6 | Very low | 55 Ų | 55 | 117.1 Ų | 117.1 | 57% | 0.567 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 136.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | I139 Q143 | I139-G141 PolarHBondContact O-N 3.19Å; G141-Q143 PolarHBondContact O-N 3.23Å |
| 142 | P | 42.8 | Very low | 45.5 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 130.1 | -175.3 | 22.9 | -33.6 | 0 | 0 | 0 | 108.8 | G144 | P142-G144 PolarHBondContact O-N 3.23Å; P142-G144 VanDerWaalsContact O-N 3.12Å |
| 143 | Q | 48.1 | Very low | 46.1 | Very low | 194 Ų | 194 | 119.3 Ų | 119.3 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 124.6 | 177.7 | -173.4 | 174.1 | 18.2 | 0 | 0 | 108 | G141 | G141-Q143 PolarHBondContact O-N 3.23Š|
| 144 | G | 56.2 | Low | 46.3 | Very low | 55 Ų | 55 | 113.5 Ų | 113.5 | 57% | 0.567 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 141.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P142 A146 | P142-G144 PolarHBondContact O-N 3.23Å; P142-G144 VanDerWaalsContact O-N 3.12Å; G144-A146 PolarHBondContact O-N 3.38Å |
| 145 | P | 48.8 | Very low | 47.2 | Very low | 129 Ų | 129 | 113.4 Ų | 113.4 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -53 | 131.8 | -176.2 | 23.4 | -33.9 | 0 | 0 | 0 | 109.2 | G147 | P145-G147 PolarHBondContact O-N 3.45Š|
| 146 | A | 56.1 | Low | 47.3 | Very low | 99 Ų | 99 | 113 Ų | 113 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 132.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | G144 | G144-A146 PolarHBondContact O-N 3.38Š|
| 147 | G | 56.9 | Low | 47.4 | Very low | 59 Ų | 59 | 111.2 Ų | 111.2 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -54 | 144.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110 | P145 | P145-G147 PolarHBondContact O-N 3.45Š|
| 148 | P | 44.7 | Very low | 47.3 | Very low | 123 Ų | 123 | 113.2 Ų | 113.2 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 139.6 | 178.5 | 25 | -34 | 0 | 0 | 0 | 109.6 | | |
| 149 | P | 50.5 | Low | 47.2 | Very low | 118 Ų | 118 | 112.9 Ų | 112.9 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 142.8 | 176.2 | -26.4 | 34.7 | 0 | 0 | 0 | 111.7 | | |
| 150 | G | 46.8 | Very low | 46.8 | Very low | 64 Ų | 64 | 113.5 Ų | 113.5 | 66% | 0.66 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 138.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D152 | G150-D152 PolarHBondContact O-N 3.07Š|
| 151 | L | 38.7 | Very low | 46.7 | Very low | 177 Ų | 177 | 110.5 Ų | 110.5 | 93% | 0.927 | 74% | 0.738 | S | S | * | * | | | trans | -88.7 | 88.1 | 177.9 | -71.6 | 173.5 | 0 | 0 | 0 | 109.9 | G153 | L151-G153 PolarHBondContact O-N 3.13Å; L151-G153 VanDerWaalsContact O-N 3.13Å |
| 152 | D | 44.2 | Very low | 46.1 | Very low | 162 Ų | 162 | 111.9 Ų | 111.9 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | | | trans | -77.4 | 95.7 | -178.2 | -71.5 | -13 | 0 | 0 | 0 | 112.8 | G150 | G150-D152 PolarHBondContact O-N 3.07Š|
| 153 | G | 52.5 | Low | 46.4 | Very low | 66 Ų | 66 | 113.7 Ų | 113.7 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | | | | 86.7 | 135.9 | 128 | 0 | 0 | 0 | 0 | 0 | 121.5 | L151 | L151-G153 PolarHBondContact O-N 3.13Å; L151-G153 VanDerWaalsContact O-N 3.13Å |
| 154 | C | 38.8 | Very low | 46.6 | Very low | 39 Ų | 39 | 110.1 Ų | 110.1 | 26% | 0.264 | 75% | 0.747 | S | S | . | * | | | trans | -125.1 | 138.2 | 139.2 | -79.7 | 0 | 0 | 0 | 0 | 107.2 | A916 G917 | C154-A916 WeakPolarHBondContact O-CA 3.32Å; C154-G917 PolarHBondContact O-N 3.41Å |
| 155 | N | 53.1 | Low | 46.7 | Very low | 149 Ų | 149 | 110.6 Ų | 110.6 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | cis | 79.3 | 130.9 | 45.5 | -164.9 | 32.4 | 0 | 0 | 0 | 112 | | |
| 156 | G | 44.2 | Very low | 46.8 | Very low | 59 Ų | 59 | 110.6 Ų | 110.6 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | | | cis | -128.2 | -154.4 | 0.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 157 | T | 38.1 | Very low | 46.5 | Very low | 122 Ų | 122 | 111.6 Ų | 111.6 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | cis | -145.1 | 160.5 | 24.3 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 158 | D | 45.1 | Very low | 46.5 | Very low | 158 Ų | 158 | 111.6 Ų | 111.6 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | | | trans | 60.7 | 132.4 | 158.9 | -40.3 | -42.4 | 0 | 0 | 0 | 120.3 | | |
| 159 | G | 41.5 | Very low | 46.7 | Very low | 66 Ų | 66 | 112 Ų | 112 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | | | cis | 168.6 | 147.1 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 160 | L | 35.9 | Very low | 46.5 | Very low | 177 Ų | 177 | 114.4 Ų | 114.4 | 93% | 0.927 | 76% | 0.759 | S | S | * | * | | | trans | 71.3 | 154.5 | 178.1 | -49.8 | 170.7 | 0 | 0 | 0 | 117.7 | | |
| 161 | P | 43.2 | Very low | 46.9 | Very low | 123 Ų | 123 | 113.7 Ų | 113.7 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | | | cis | -111.8 | 177.2 | -50 | 38.1 | -27.1 | 0 | 0 | 0 | 111.8 | | |
| 162 | G | 42 | Very low | 47.2 | Very low | 83 Ų | 83 | 111.1 Ų | 111.1 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 134.6 | -162.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 163 | L | 48.3 | Very low | 47.4 | Very low | 165 Ų | 165 | 108.7 Ų | 108.7 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 146.5 | 169.1 | -74.4 | 163.6 | 0 | 0 | 0 | 111.6 | | |
| 164 | P | 52.3 | Low | 47.2 | Very low | 119 Ų | 119 | 108.9 Ų | 108.9 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 142.9 | 168.2 | -21.9 | 33.6 | 0 | 0 | 0 | 111.5 | | |
| 165 | G | 58.7 | Low | 47.2 | Very low | 66 Ų | 66 | 116.5 Ų | 116.5 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 144.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 166 | P | 50.4 | Low | 46.9 | Very low | 129 Ų | 129 | 115.5 Ų | 115.5 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 142.7 | 179.4 | 26.3 | -34.4 | 0 | 0 | 0 | 110.3 | G168 | P166-G168 PolarHBondContact O-N 2.99Š|
| 167 | S | 49.8 | Very low | 47 | Very low | 119 Ų | 119 | 115.7 Ų | 115.7 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 127.7 | 165.5 | -66.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 168 | G | 58.3 | Low | 47.1 | Very low | 59 Ų | 59 | 117.8 Ų | 117.8 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 151.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P166 M170 | P166-G168 PolarHBondContact O-N 2.99Å; G168-M170 PolarHBondContact O-N 3.04Å; G168-M170 VanDerWaalsContact O-N 3.13Å |
| 169 | P | 47.6 | Very low | 47 | Very low | 131 Ų | 131 | 116.3 Ų | 116.3 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -53 | 125.9 | -179 | 23.4 | -33.9 | 0 | 0 | 0 | 109 | G171 | P169-G171 PolarHBondContact O-N 3.39Š|
| 170 | M | 47.3 | Very low | 47.2 | Very low | 170 Ų | 170 | 115.5 Ų | 115.5 | 84% | 0.837 | 77% | 0.769 | S | S | * | * | | | trans | -55.2 | 112.6 | 174.4 | -179.7 | 172 | 66.3 | 0 | 0 | 107.1 | G168 | G168-M170 PolarHBondContact O-N 3.04Å; G168-M170 VanDerWaalsContact O-N 3.13Å |
| 171 | G | 53.9 | Low | 47.1 | Very low | 48 Ų | 48 | 116 Ų | 116 | 50% | 0.495 | 77% | 0.769 | S | S | . | * | | | trans | -53.2 | 144.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P169 P173 | P169-G171 PolarHBondContact O-N 3.39Å; G171-P173 VanDerWaalsContact O-N 3.12Å |
| 172 | P | 46.3 | Very low | 46.6 | Very low | 123 Ų | 123 | 116.5 Ų | 116.5 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | | | trans | -50.4 | 125.4 | -178 | 21.8 | -33.4 | 0 | 0 | 0 | 108.4 | G174 | P172-G174 PolarHBondContact O-N 2.7Š|
| 173 | P | 48.9 | Very low | 46.7 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | -49.6 | 112.9 | -174.6 | -31 | 35.9 | 0 | 0 | 0 | 109.8 | G171 F175 | G171-P173 VanDerWaalsContact O-N 3.12Å; P173-F175 PolarHBondContact O-N 2.64Å; P173-F175 VanDerWaalsContact O-N 3.16Å |
| 174 | G | 47 | Very low | 46.4 | Very low | 69 Ų | 69 | 117.5 Ų | 117.5 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | trans | -55.1 | 125.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | P172 P176 | P172-G174 PolarHBondContact O-N 2.7Å; G174-P176 VanDerWaalsContact O-N 3.15Å |
| 175 | F | 39.1 | Very low | 45.2 | Very low | 200 Ų | 200 | 121.5 Ų | 121.5 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | | | trans | -40.5 | 123.1 | -176.8 | -77.7 | -84.7 | 0 | 0 | 0 | 109.9 | P173 G177 | P173-F175 PolarHBondContact O-N 2.64Å; P173-F175 VanDerWaalsContact O-N 3.16Å; F175-G177 PolarHBondContact O-N 3.44Å |
| 176 | P | 47 | Very low | 44 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | -51.7 | 106.8 | 177.1 | -29 | 36.1 | 0 | 0 | 0 | 109.3 | G174 L178 | G174-P176 VanDerWaalsContact O-N 3.15Å; P176-L178 PolarHBondContact O-N 3.44Å |
| 177 | G | 45.2 | Very low | 43.1 | Very low | 63 Ų | 63 | 124.7 Ų | 124.7 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | | | trans | -59 | 129.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F175 P179 | F175-G177 PolarHBondContact O-N 3.44Å; G177-P179 WeakPolarHBondContact O-CD 3.32Å |
| 178 | L | 40.4 | Very low | 42.7 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | | | trans | -42.8 | 117.2 | 177.5 | -73.7 | 168.7 | 0 | 0 | 0 | 109.4 | P176 G180 | P176-L178 PolarHBondContact O-N 3.44Å; L178-G180 PolarHBondContact O-N 3.3Å |
| 179 | P | 44.6 | Very low | 41.5 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -56.8 | 104 | -178.3 | -29.1 | 36.8 | 0 | 0 | 0 | 110.4 | G177 M181 | G177-P179 WeakPolarHBondContact O-CD 3.32Å; P179-M181 PolarHBondContact O-N 3.08Å |
| 180 | G | 45 | Very low | 40.7 | Very low | 49 Ų | 49 | 127.9 Ų | 127.9 | 51% | 0.505 | 77% | 0.772 | S | S | . | * | | | trans | -60.6 | 132.8 | -163.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L178 K182 | L178-G180 PolarHBondContact O-N 3.3Å; G180-K182 PolarHBondContact O-N 3.44Å |
| 181 | M | 32.8 | Very low | 40.1 | Very low | 188 Ų | 188 | 123 Ų | 123 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | | | trans | -61.3 | 98.2 | 174.8 | -66.2 | -178.6 | 73.7 | 0 | 0 | 110.1 | P179 | P179-M181 PolarHBondContact O-N 3.08Š|
| 182 | K | 34.4 | Very low | 39.3 | Very low | 133 Ų | 133 | 130 Ų | 130 | 58% | 0.578 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 132.3 | 170.9 | -165.4 | 171.2 | -176.3 | -176.8 | 0 | 109.4 | G180 L1080 | G180-K182 PolarHBondContact O-N 3.44Å; K182-L1080 HydrophobicContact CB-CD1 4.4Å; K182-L1080 HydrophobicContact CB-CD2 3.78Å; K182-L1080 HydrophobicContact CD-CD2 4.15Å; K182-L1080 HydrophobicContact CG-CD2 3.97Å |
| 183 | G | 42.5 | Very low | 39 | Very low | 69 Ų | 69 | 128.3 Ų | 128.3 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 155.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 184 | Q | 42.2 | Very low | 38.6 | Very low | 200 Ų | 200 | 124.3 Ų | 124.3 | 94% | 0.935 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 148.8 | 179.6 | -58.9 | 169.3 | -7.7 | 0 | 0 | 112.5 | | |
| 185 | K | 28.4 | Very low | 38 | Very low | 203 Ų | 203 | 123.8 Ų | 123.8 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | | | | 178.4 | 135 | 119.5 | -174.9 | 171.5 | -175.8 | 179.5 | 0 | 110.6 | | |
| 186 | G | 31.9 | Very low | 37.8 | Very low | 75 Ų | 75 | 123 Ų | 123 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | | | trans | 114.5 | 110 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 187 | E | 33.4 | Very low | 37.4 | Very low | 188 Ų | 188 | 120 Ų | 120 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | | | trans | -73.7 | 170.1 | 148 | -79.6 | -176.8 | 123.5 | 0 | 0 | 110.9 | | |
| 188 | P | 40.6 | Very low | 37.1 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | | | cis | -136.3 | 177.8 | -24.5 | 33 | -14.2 | 0 | 0 | 0 | 114.3 | | |
| 189 | A | 32.7 | Very low | 37.3 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 79% | 0.793 | 72% | 0.724 | S | S | * | * | | | trans | 56.9 | 128.3 | 144.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 190 | L | 31 | Very low | 36.9 | Very low | 169 Ų | 169 | 125 Ų | 125 | 89% | 0.885 | 72% | 0.72 | S | S | * | * | | | trans | -143.1 | 135.3 | 139.9 | -124.4 | 161 | 0 | 0 | 0 | 109.1 | | |
| 191 | A | 34.9 | Very low | 36.4 | Very low | 67 Ų | 67 | 128.8 Ų | 128.8 | 55% | 0.554 | 73% | 0.728 | S | S | * | * | | | trans | -36.4 | 162.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 192 | F | 36.5 | Very low | 36.8 | Very low | 194 Ų | 194 | 125.9 Ų | 125.9 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | | | cis | -147.4 | 158.2 | 38 | -80.6 | -93.8 | 0 | 0 | 0 | 116.5 | | |
| 193 | P | 39.7 | Very low | 37.1 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 58% | 0.578 | 73% | 0.727 | S | S | * | * | | | trans | -81.6 | 168.3 | 164 | 37 | -35.8 | 0 | 0 | 0 | 111.9 | | |
| 194 | G | 41 | Very low | 37.1 | Very low | 27 Ų | 27 | 125 Ų | 125 | 28% | 0.278 | 73% | 0.728 | S | S | . | * | | | cis | 129.2 | 170.8 | 4.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E452 | G194-E452 VanDerWaalsContact C-CD 3.48Å; G194-E452 PolarHBondContact N-OE2 3.09Å; G194-E452 VanDerWaalsContact O-CB 3.25Å; G194-E452 WeakPolarHBondContact O-CB 3.43Å; G194-E452 VanDerWaalsContact O-CD 3.26Å; G194-E452 WeakPolarHBondContact O-CG 3.29Å |
| 195 | M | 34 | Very low | 36.8 | Very low | 59 Ų | 59 | 123.8 Ų | 123.8 | 29% | 0.291 | 73% | 0.728 | S | S | . | * | | | trans | 112.5 | 154.8 | 168.6 | -64.9 | -174.5 | 80.6 | 0 | 0 | 117.5 | G454 D455 | M195-G454 WeakPolarHBondContact CE-O 3.32Å; M195-G454 WeakPolarHBondContact SD-CA 3.17Å; M195-G454 PolarHBondContact SD-N 2.62Å; M195-D455 PolarHBondContact SD-N 3.02Å |
| 196 | K | 35.1 | Very low | 37.6 | Very low | 182 Ų | 182 | 116.9 Ų | 116.9 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | | | cis | -167.8 | 143 | -20.2 | 160 | 173 | 169.9 | -171.6 | 0 | 109.9 | | |
| 197 | G | 38.2 | Very low | 37.9 | Very low | 66 Ų | 66 | 121.6 Ų | 121.6 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | | | trans | 92.2 | 156.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 198 | E | 40.6 | Very low | 38.5 | Very low | 206 Ų | 206 | 118.6 Ų | 118.6 | 96% | 0.963 | 72% | 0.718 | S | S | * | * | | | cis | -118.7 | -155.4 | 4.4 | -65.6 | -161.8 | 101.7 | 0 | 0 | 113.4 | | |
| 199 | K | 43.8 | Very low | 38 | Very low | 183 Ų | 183 | 116.7 Ų | 116.7 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | | | trans | -123.5 | 139.8 | -153 | 174.4 | -167.7 | 169.9 | -162.4 | 0 | 112.2 | | |
| 200 | G | 35.5 | Very low | 37.8 | Very low | 72 Ų | 72 | 120.4 Ų | 120.4 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | | | trans | -145.3 | 90.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 201 | D | 36.2 | Very low | 38.5 | Very low | 127 Ų | 127 | 116.8 Ų | 116.8 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | | | trans | 26 | 112 | 159.4 | -53 | -25.8 | 0 | 0 | 0 | 121.7 | G203 | D201-G203 PolarHBondContact O-N 3.43Š|
| 202 | P | 40.2 | Very low | 38.4 | Very low | 128 Ų | 128 | 117.4 Ų | 117.4 | 83% | 0.831 | 73% | 0.731 | S | S | * | * | | | trans | -68.4 | 105.1 | 130.6 | 0.3 | 18.8 | 0 | 0 | 0 | 108.5 | T204 | P202-T204 PolarHBondContact O-N 3.32Š|
| 203 | G | 41.5 | Very low | 38.6 | Very low | 63 Ų | 63 | 113.6 Ų | 113.6 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | | | trans | -79.3 | 105.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | D201 | D201-G203 PolarHBondContact O-N 3.43Š|
| 204 | T | 42 | Very low | 39.1 | Very low | 119 Ų | 119 | 114.9 Ų | 114.9 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | | | trans | 42.7 | 109.1 | 158.8 | 53.7 | 0 | 0 | 0 | 0 | 117.8 | P202 | P202-T204 PolarHBondContact O-N 3.32Š|
| 205 | D | 36.6 | Very low | 39.1 | Very low | 175 Ų | 175 | 116.9 Ų | 116.9 | 94% | 0.936 | 76% | 0.757 | S | S | * | * | | | | -43.3 | 117.5 | 92.5 | -63.9 | -11.4 | 0 | 0 | 0 | 114.2 | | |
| 206 | G | 45 | Very low | 39.8 | Very low | 58 Ų | 58 | 123.8 Ų | 123.8 | 60% | 0.598 | 79% | 0.786 | S | S | * | * | | | trans | -171.9 | 93.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 207 | L | 38.1 | Very low | 39.8 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | | | | -168.8 | 147.3 | 107.8 | -94.8 | 169.3 | 0 | 0 | 0 | 109.5 | | |
| 208 | P | 45.7 | Very low | 39.9 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | trans | -114.1 | 165.4 | -165.2 | 40.9 | -32.8 | 0 | 0 | 0 | 115.7 | | |
| 209 | G | 30.1 | Very low | 40.1 | Very low | 71 Ų | 71 | 121.7 Ų | 121.7 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | 134.3 | 136.9 | 167 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 210 | L | 27.1 | Very low | 40.1 | Very low | 174 Ų | 174 | 118.5 Ų | 118.5 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | | | cis | -118 | 153.1 | -2.6 | -97.2 | 72.5 | 0 | 0 | 0 | 111.1 | | |
| 211 | A | 47 | Very low | 40.3 | Very low | 94 Ų | 94 | 118.4 Ų | 118.4 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | -91.5 | 147.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 212 | G | 32.9 | Very low | 40 | Very low | 79 Ų | 79 | 121.5 Ų | 121.5 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | | | trans | -101.6 | 19 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 213 | S | 40.7 | Very low | 39.9 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | 67.2 | 172 | -178.5 | -45.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 214 | P | 50.2 | Low | 39.7 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | cis | -125 | 131.8 | -8.1 | 26.7 | -6.1 | 0 | 0 | 0 | 115 | | |
| 215 | G | 40.5 | Very low | 39.3 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | | | trans | 76.8 | 166.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 216 | F | 48.3 | Very low | 39.6 | Very low | 204 Ų | 204 | 131.8 Ų | 131.8 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | | | cis | -132.4 | 142 | 1.7 | -86.6 | -98.3 | 0 | 0 | 0 | 111.8 | | |
| 217 | D | 35.3 | Very low | 39.5 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -69.1 | 148.3 | 170.4 | -50.5 | -87.1 | 0 | 0 | 0 | 111.3 | | |
| 218 | G | 40.8 | Very low | 39.3 | Very low | 79 Ų | 79 | 131.7 Ų | 131.7 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | 177.3 | 23.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 219 | L | 45.2 | Very low | 39.8 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | -99.7 | 154.6 | 159.1 | -79.5 | 175 | 0 | 0 | 0 | 109.1 | | |
| 220 | P | 42.7 | Very low | 40.2 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | cis | -132.8 | 132.4 | -2.9 | 34.5 | -15.6 | 0 | 0 | 0 | 115.2 | | |
| 221 | G | 39.9 | Very low | 41 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | | | trans | 67.5 | 154.3 | 139.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 222 | Q | 30.7 | Very low | 41.5 | Very low | 192 Ų | 192 | 124.1 Ų | 124.1 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | | | trans | -157.8 | 151.2 | 137 | -119.1 | 163.4 | 98.3 | 0 | 0 | 110.4 | G224 | Q222-G224 PolarHBondContact O-N 3.17Š|
| 223 | R | 37.3 | Very low | 41.9 | Very low | 228 Ų | 228 | 121.1 Ų | 121.1 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | | | trans | -70.6 | 110.3 | 156.4 | 167.8 | -171 | -84.3 | -179.5 | -7.8 | 105.9 | | |
| 224 | G | 38.7 | Very low | 41.9 | Very low | 65 Ų | 65 | 121.6 Ų | 121.6 | 67% | 0.67 | 72% | 0.715 | S | S | * | * | | | trans | -104.2 | 145.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q222 | Q222-G224 PolarHBondContact O-N 3.17Š|
| 225 | D | 33.6 | Very low | 42.2 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | | | trans | -82.8 | -175.2 | -165.6 | -64.1 | -69.7 | 0 | 0 | 0 | 115 | | |
| 226 | R | 41.1 | Very low | 42.1 | Very low | 256 Ų | 256 | 127.1 Ų | 127.1 | 97% | 0.966 | 72% | 0.717 | S | S | * | * | | | trans | -85 | 120.2 | -171.5 | 174 | -171 | 174.6 | -177.3 | -1 | 112.7 | | |
| 227 | G | 43.8 | Very low | 41.5 | Very low | 64 Ų | 64 | 128.3 Ų | 128.3 | 66% | 0.66 | 72% | 0.717 | S | S | * | * | | | trans | 126.2 | 149.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 228 | E | 34.6 | Very low | 42.1 | Very low | 167 Ų | 167 | 126 Ų | 126 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | | | cis | -140.4 | 174.2 | -0.2 | -68.4 | -158.1 | 114.2 | 0 | 0 | 110.9 | G1391 M1392 | E228-G1391 CarbonylContact C-O 3.24Å; E228-G1391 CarbonylContact O-C 3.42Å; E228-M1392 PolarHBondContact O-N 3.46Å |
| 229 | P | 56.1 | Low | 42.3 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 62% | 0.623 | 71% | 0.709 | S | S | * | * | | | trans | -119.6 | 156 | -162.7 | 41.1 | -30 | 0 | 0 | 0 | 119 | G1391 M1392 | P229-G1391 CarbonylContact C-O 3.58Å; P229-G1391 WeakPolarHBondContact CA-O 3.36Å; P229-G1391 CarbonylContact O-C 3.59Å; P229-G1391 PolarHBondContact O-N 3.2Å; P229-M1392 CarbonylContact C-O 3.38Å |
| 230 | G | 38.6 | Very low | 41.6 | Very low | 17 Ų | 17 | 126.8 Ų | 126.8 | 18% | 0.175 | 71% | 0.709 | C | S | . | * | B | Isolated β-bridge | trans | 112.2 | 169.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G1391 M1392 E1393 | G230-G1391 CarbonylContact O-C 3.54Å; G230-G1391 WeakPolarHBondContact O-CA 3.38Å; G230-G1391 PolarHBondContact O-N 3.26Å; G230-M1392 PolarHBondContact N-O 3.34Å; G230-M1392 CarbonylContact O-C 3.25Å; G230-M1392 WeakPolarHBondContact O-CA 3.49Å; G230-M1392 PolarHBondContact O-N 2.96Å; G230-E1393 WeakPolarHBondContact O-CA 3.5Å; G230-E1393 PolarHBondContact O-N 2.65Å; G230-E1393 VanDerWaalsContact O-N 3.11Å |
| 231 | P | 42.4 | Very low | 41.7 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 42% | 0.422 | 71% | 0.713 | S | S | . | * | | | cis | -88.6 | -142.1 | -7.6 | 39.2 | -35.2 | 0 | 0 | 0 | 110.9 | P1390 E1393 G1394 | P231-P1390 HydrophobicContact CB-CB 4.23Å; P231-E1393 HydrophobicContact CG-CG 4.42Å; P231-E1393 WeakPolarHBondContact O-CG 3.14Å; P231-G1394 PolarHBondContact O-N 2.91Å |
| 232 | V | 57.9 | Low | 42 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 76% | 0.758 | 71% | 0.707 | S | S | * | * | B | Isolated β-bridge | trans | -135.6 | 134.4 | -177.5 | 175.9 | 0 | 0 | 0 | 0 | 113.5 | G1394 | V232-G1394 WeakPolarHBondContact CA-O 3.48Å |
| 233 | G | 42.6 | Very low | 42.4 | Very low | 16 Ų | 16 | 123.5 Ų | 123.5 | 17% | 0.165 | 70% | 0.702 | C | S | . | * | | | trans | -91 | 157.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G1394 | G233-G1394 PolarHBondContact N-O 3.39Š|
| 234 | P | 39.7 | Very low | 42.6 | Very low | 126 Ų | 126 | 118.8 Ų | 118.8 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | | | trans | -88.2 | 176.9 | -154.4 | 34.5 | -38.3 | 0 | 0 | 0 | 117.6 | | |
| 235 | R | 56.4 | Low | 42.6 | Very low | 241 Ų | 241 | 118.9 Ų | 118.9 | 91% | 0.909 | 70% | 0.702 | S | S | * | * | | | trans | -122.2 | 142.6 | -167.2 | 173.8 | -172.9 | 178.9 | -167.7 | 1.1 | 113.3 | | |
| 236 | G | 39.2 | Very low | 42.5 | Very low | 58 Ų | 58 | 119.4 Ų | 119.4 | 60% | 0.598 | 71% | 0.705 | S | S | * | * | | | trans | -178.6 | 155 | 163 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 237 | Y | 33.9 | Very low | 42.5 | Very low | 229 Ų | 229 | 113.4 Ų | 113.4 | 90% | 0.898 | 70% | 0.699 | S | S | * | * | | | cis | -137 | 163.8 | -11.3 | -89.2 | -86.7 | 0 | 0 | 0 | 109.3 | | |
| 238 | P | 48.2 | Very low | 42.2 | Very low | 116 Ų | 116 | 113.5 Ų | 113.5 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -74 | 144.1 | -175.2 | -15.2 | 31.1 | 0 | 0 | 0 | 114.1 | | |
| 239 | G | 44.9 | Very low | 42.2 | Very low | 73 Ų | 73 | 112.3 Ų | 112.3 | 75% | 0.753 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -86 | 167.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 240 | E | 32 | Very low | 41.3 | Very low | 189 Ų | 189 | 109.5 Ų | 109.5 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -64 | 148 | -169.7 | -62.4 | -174.4 | 113.5 | 0 | 0 | 114.5 | G242 | E240-G242 PolarHBondContact O-N 2.91Š|
| 241 | P | 44.2 | Very low | 41.7 | Very low | 129 Ų | 129 | 112.8 Ų | 112.8 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 119.4 | 175 | -19.4 | 32.5 | 0 | 0 | 0 | 112.4 | | |
| 242 | G | 47 | Very low | 41.5 | Very low | 58 Ų | 58 | 112.6 Ų | 112.6 | 60% | 0.598 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 154.2 | 166 | 0 | 0 | 0 | 0 | 0 | 111.9 | E240 | E240-G242 PolarHBondContact O-N 2.91Š|
| 243 | P | 37.9 | Very low | 40.7 | Very low | 124 Ų | 124 | 108.5 Ų | 108.5 | 81% | 0.805 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 138 | -179.2 | 24.5 | -34 | 0 | 0 | 0 | 111.2 | G245 | P243-G245 PolarHBondContact O-N 3.26Š|
| 244 | P | 40.8 | Very low | 41 | Very low | 128 Ų | 128 | 112.3 Ų | 112.3 | 83% | 0.831 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 120.2 | -176.6 | -28.2 | 35.7 | 0 | 0 | 0 | 113.2 | | |
| 245 | G | 39.8 | Very low | 40.9 | Very low | 67 Ų | 67 | 115.1 Ų | 115.1 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 134.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P243 P247 | P243-G245 PolarHBondContact O-N 3.26Å; G245-P247 VanDerWaalsContact O-CD 3.26Å; G245-P247 WeakPolarHBondContact O-CD 3.44Å |
| 246 | N | 31.8 | Very low | 40.1 | Very low | 163 Ų | 163 | 106.8 Ų | 106.8 | 87% | 0.872 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 118.1 | -178.1 | -71.1 | -24.7 | 0 | 0 | 0 | 112.6 | | |
| 247 | P | 39.7 | Very low | 40 | Very low | 130 Ų | 130 | 112.7 Ų | 112.7 | 84% | 0.844 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 141.3 | 166.3 | -17.5 | 32.7 | 0 | 0 | 0 | 110.3 | G245 | G245-P247 VanDerWaalsContact O-CD 3.26Å; G245-P247 WeakPolarHBondContact O-CD 3.44Å |
| 248 | G | 37.7 | Very low | 40.6 | Very low | 67 Ų | 67 | 108.1 Ų | 108.1 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | | | trans | -100.5 | -170.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 249 | I | 34.7 | Very low | 40.1 | Very low | 141 Ų | 141 | 105.2 Ų | 105.2 | 72% | 0.723 | 70% | 0.696 | S | S | * | * | | | trans | 69.9 | 86.1 | 159.7 | -53.1 | 166.7 | 0 | 0 | 0 | 114.6 | K1128 | I249-K1128 HydrophobicContact CG2-CD 4.15Š|
| 250 | G | 38.9 | Very low | 39.8 | Very low | 37 Ų | 37 | 109 Ų | 109 | 38% | 0.381 | 70% | 0.699 | S | S | . | * | | | trans | -68.5 | 169.3 | 148 | 0 | 0 | 0 | 0 | 0 | 111.3 | K1128 | G250-K1128 WeakPolarHBondContact O-CD 3.26Å; G250-K1128 WeakPolarHBondContact O-CE 3.46Å; G250-K1128 VanDerWaalsContact O-CG 3.25Å; G250-K1128 WeakPolarHBondContact O-CG 3.35Å; G250-K1128 PolarHBondContact O-NZ 3.2Å |
| 251 | S | 45.7 | Very low | 40.5 | Very low | 86 Ų | 86 | 106.1 Ų | 106.1 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | | | cis | -153.4 | 143.2 | 2.2 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | K1128 | S251-K1128 PolarHBondContact O-N 2.81Š|
| 252 | I | 39.3 | Very low | 40.3 | Very low | 61 Ų | 61 | 102.8 Ų | 102.8 | 31% | 0.313 | 69% | 0.686 | S | S | . | * | | | trans | -137.8 | 163.1 | 143.9 | -45 | 79.8 | 0 | 0 | 0 | 105.2 | L1124 Q1125 G1126 L1127 | I252-L1124 HydrophobicContact CB-CD2 3.86Å; I252-L1124 HydrophobicContact CG2-CD2 4.33Å; I252-L1124 WeakPolarHBondContact O-CD2 3.23Å; I252-Q1125 HydrophobicContact CD1-CB 4.45Å; I252-Q1125 HydrophobicContact CD1-CG 3.51Å; I252-Q1125 HydrophobicContact CG1-CG 4.1Å; I252-G1126 VanDerWaalsContact CG1-C 3.46Å; I252-G1126 WeakPolarHBondContact CG1-O 3.33Å; I252-L1127 HydrophobicContact CD1-CD2 3.91Å; I252-L1127 HydrophobicContact CD1-CG 4.07Å |
| 253 | G | 40 | Very low | 39.7 | Very low | 39 Ų | 39 | 107.9 Ų | 107.9 | 40% | 0.402 | 70% | 0.699 | S | S | . | * | | | trans | -130.6 | -173.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1124 | G253-L1124 PolarHBondContact O-N 3.34Š|
| 254 | P | 50.1 | Low | 40.4 | Very low | 97 Ų | 97 | 108 Ų | 108 | 63% | 0.63 | 70% | 0.699 | S | S | * | * | | | cis | -123.1 | 140 | -24.6 | 34.2 | -20.9 | 0 | 0 | 0 | 110.9 | | |
| 255 | K | 37.8 | Very low | 40.6 | Very low | 184 Ų | 184 | 104.5 Ų | 104.5 | 80% | 0.8 | 69% | 0.686 | S | S | * | * | | | trans | -122.7 | 127.1 | 159.6 | -166.6 | 169 | -176.2 | 176.2 | 0 | 106.8 | | |
| 256 | G | 38.5 | Very low | 40.6 | Very low | 66 Ų | 66 | 107.1 Ų | 107.1 | 68% | 0.68 | 69% | 0.692 | S | S | * | * | | | trans | -59.2 | 155.7 | -154.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 257 | E | 36.5 | Very low | 41.7 | Very low | 182 Ų | 182 | 105.3 Ų | 105.3 | 85% | 0.85 | 69% | 0.689 | S | S | * | * | | | trans | -46.6 | 131.2 | 153.1 | -63.8 | 166.8 | 147.1 | 0 | 0 | 108.1 | G259 | E257-G259 VanDerWaalsContact C-N 3.27Å; E257-G259 PolarHBondContact O-N 2.93Å |
| 258 | P | 46.8 | Very low | 41.7 | Very low | 133 Ų | 133 | 102.4 Ų | 102.4 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | | | trans | -59.5 | 102.7 | 155.9 | -13.4 | 28.6 | 0 | 0 | 0 | 105.1 | | |
| 259 | G | 38.7 | Very low | 42.2 | Very low | 55 Ų | 55 | 105.1 Ų | 105.1 | 57% | 0.567 | 69% | 0.688 | S | S | * | * | | | trans | -56.7 | 155 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E257 | E257-G259 VanDerWaalsContact C-N 3.27Å; E257-G259 PolarHBondContact O-N 2.93Å |
| 260 | D | 37.2 | Very low | 42.8 | Very low | 153 Ų | 153 | 103.9 Ų | 103.9 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | | | trans | -41.7 | 128.1 | 174.8 | -71.4 | -55.5 | 0 | 0 | 0 | 110 | G262 | D260-G262 VanDerWaalsContact O-CA 3.29Å; D260-G262 WeakPolarHBondContact O-CA 3.49Å; D260-G262 PolarHBondContact O-N 2.93Å |
| 261 | P | 47.7 | Very low | 42.7 | Very low | 129 Ų | 129 | 106.3 Ų | 106.3 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | | | trans | -53.4 | 104.6 | 170.8 | -25.7 | 34.8 | 0 | 0 | 0 | 107.9 | L263 | P261-L263 PolarHBondContact O-N 2.99Š|
| 262 | G | 40.1 | Very low | 42.3 | Very low | 59 Ų | 59 | 107.2 Ų | 107.2 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 130 | -151.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D260 P264 | D260-G262 VanDerWaalsContact O-CA 3.29Å; D260-G262 WeakPolarHBondContact O-CA 3.49Å; D260-G262 PolarHBondContact O-N 2.93Å; G262-P264 VanDerWaalsContact O-CD 3.28Å; G262-P264 WeakPolarHBondContact O-CD 3.48Å |
| 263 | L | 34.8 | Very low | 42.1 | Very low | 165 Ų | 165 | 110.6 Ų | 110.6 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 118.5 | 169.3 | -74.7 | 174.1 | 0 | 0 | 0 | 107.3 | P261 G265 | P261-L263 PolarHBondContact O-N 2.99Å; L263-G265 PolarHBondContact O-N 2.85Å |
| 264 | P | 51.7 | Low | 42 | Very low | 125 Ų | 125 | 115.3 Ų | 115.3 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 118.5 | 179.4 | -28.8 | 36.1 | 0 | 0 | 0 | 108.3 | G262 | G262-P264 VanDerWaalsContact O-CD 3.28Å; G262-P264 WeakPolarHBondContact O-CD 3.48Å |
| 265 | G | 45.1 | Very low | 41.1 | Very low | 55 Ų | 55 | 118.3 Ų | 118.3 | 57% | 0.567 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 141.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L263 P267 | L263-G265 PolarHBondContact O-N 2.85Å; G265-P267 WeakPolarHBondContact O-CD 3.41Å; G265-P267 VanDerWaalsContact O-N 3.11Å |
| 266 | P | 39.8 | Very low | 41.1 | Very low | 123 Ų | 123 | 117.1 Ų | 117.1 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -52 | 123 | -178.5 | 21.8 | -32.9 | 0 | 0 | 0 | 109.1 | G268 | P266-G268 PolarHBondContact O-N 2.83Å; P266-G268 VanDerWaalsContact O-N 3.13Å |
| 267 | P | 54.9 | Low | 41 | Very low | 125 Ų | 125 | 123.5 Ų | 123.5 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 122 | -174.4 | -29.3 | 35.6 | 0 | 0 | 0 | 111.2 | G265 P269 | G265-P267 WeakPolarHBondContact O-CD 3.41Å; G265-P267 VanDerWaalsContact O-N 3.11Å; P267-P269 VanDerWaalsContact O-CD 3.27Å; P267-P269 WeakPolarHBondContact O-CD 3.2Å |
| 268 | G | 39.5 | Very low | 41 | Very low | 68 Ų | 68 | 120.2 Ų | 120.2 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 116.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P266 | P266-G268 PolarHBondContact O-N 2.83Å; P266-G268 VanDerWaalsContact O-N 3.13Å |
| 269 | P | 49.6 | Very low | 40.6 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 155.3 | 172.7 | 29.6 | -33.5 | 0 | 0 | 0 | 110.7 | P267 | P267-P269 VanDerWaalsContact O-CD 3.27Å; P267-P269 WeakPolarHBondContact O-CD 3.2Å |
| 270 | P | 45.9 | Very low | 40.3 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | | | | -113.9 | 153.3 | -114.8 | 36.5 | -33 | 0 | 0 | 0 | 115.3 | S272 | P270-S272 PolarHBondContact O-N 2.9Š|
| 271 | G | 36.4 | Very low | 40.3 | Very low | 88 Ų | 88 | 122.8 Ų | 122.8 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | | | trans | -79.8 | 109.8 | 163 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 272 | S | 38.7 | Very low | 39.9 | Very low | 105 Ų | 105 | 121.3 Ų | 121.3 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | trans | -87.8 | 135.4 | -177.3 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | P270 | P270-S272 PolarHBondContact O-N 2.9Š|
| 273 | V | 34.3 | Very low | 40.1 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | -159.4 | 142.5 | 133.3 | -103.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 274 | N | 37.3 | Very low | 40.5 | Very low | 138 Ų | 138 | 121.5 Ų | 121.5 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | trans | 64.2 | 85.1 | 151.5 | -56.7 | 6.3 | 0 | 0 | 0 | 119.9 | | |
| 275 | E | 32.5 | Very low | 40.2 | Very low | 160 Ų | 160 | 118.7 Ų | 118.7 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | | 44.3 | 149.3 | 110.3 | -61.8 | -167 | 129.2 | 0 | 0 | 124.3 | | |
| 276 | F | 37.7 | Very low | 40.4 | Very low | 158 Ų | 158 | 121.9 Ų | 121.9 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | | | trans | 70.9 | 105 | 155.1 | -69.6 | -59.8 | 0 | 0 | 0 | 122.3 | | |
| 277 | R | 35.5 | Very low | 40.7 | Very low | 200 Ų | 200 | 121.6 Ų | 121.6 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | | 57.6 | 129.8 | 118.9 | -88.1 | -173 | 149 | 146.1 | 2 | 122.8 | | |
| 278 | D | 37.6 | Very low | 40 | Very low | 113 Ų | 113 | 119.1 Ų | 119.1 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | | | trans | 72.6 | 110 | 130.7 | -58.4 | -26.2 | 0 | 0 | 0 | 122.4 | | |
| 279 | T | 36.9 | Very low | 39.8 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | | | trans | 77.6 | 118 | 134.7 | 56.3 | 0 | 0 | 0 | 0 | 123.8 | | |
| 280 | K | 33.3 | Very low | 39.9 | Very low | 200 Ų | 200 | 124.9 Ų | 124.9 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | | | | 65.3 | 109.3 | 128.3 | -63.6 | 178.4 | 177.9 | 179 | 0 | 121.8 | | |
| 281 | G | 37.7 | Very low | 39.8 | Very low | 80 Ų | 80 | 122.7 Ų | 122.7 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | 86.9 | 168.4 | 130.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 282 | A | 39.4 | Very low | 39.6 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | cis | -165.2 | 166.4 | -11.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 283 | A | 43.4 | Very low | 39.7 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | 68.7 | 152.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 284 | V | 43.1 | Very low | 40.2 | Very low | 132 Ų | 132 | 129 Ų | 129 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | cis | -158.7 | 139.3 | -18 | 130.8 | 0 | 0 | 0 | 0 | 104.6 | | |
| 285 | G | 44.7 | Very low | 40.4 | Very low | 65 Ų | 65 | 131.5 Ų | 131.5 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | | | | 81.8 | 158.9 | 68.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 286 | P | 50.4 | Low | 40.6 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | cis | -134.9 | -134.8 | 16.8 | 30.2 | -2.7 | 0 | 0 | 0 | 113.8 | | |
| 287 | P | 45.9 | Very low | 40.5 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | | -113.7 | 164.3 | -96 | 37.8 | -21.9 | 0 | 0 | 0 | 114 | | |
| 288 | G | 40.8 | Very low | 41.2 | Very low | 74 Ų | 74 | 129.1 Ų | 129.1 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | | 109 | 161.6 | 54.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 289 | Q | 35.7 | Very low | 41.7 | Very low | 186 Ų | 186 | 130 Ų | 130 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | | | cis | -157.4 | -172.9 | -5.3 | -71.9 | -170.1 | -4.3 | 0 | 0 | 106.2 | | |
| 290 | P | 51.5 | Low | 41.5 | Very low | 127 Ų | 127 | 128 Ų | 128 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | cis | -121.1 | -165.7 | -7.6 | 43.8 | -27.1 | 0 | 0 | 0 | 111.6 | | |
| 291 | G | 43.8 | Very low | 42 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | cis | -168.8 | 147.4 | 1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 292 | M | 32 | Very low | 42.2 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | | | trans | -71.6 | 148.3 | -161.6 | -53.9 | 164.8 | 74 | 0 | 0 | 117.4 | | |
| 293 | K | 39.8 | Very low | 42.1 | Very low | 214 Ų | 214 | 128.5 Ų | 128.5 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | | | trans | -162 | 127.6 | 130.1 | -172.1 | 177.8 | -178.2 | -179.1 | 0 | 109.7 | | |
| 294 | G | 44.6 | Very low | 41.8 | Very low | 62 Ų | 62 | 131.4 Ų | 131.4 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | | | cis | 175.5 | 135.4 | -7.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 295 | E | 41.8 | Very low | 41.6 | Very low | 191 Ų | 191 | 136 Ų | 136 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | trans | -84.4 | 142 | -167.4 | -60.1 | 177.4 | 126.6 | 0 | 0 | 114.8 | | |
| 296 | K | 37.6 | Very low | 41.3 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | | | trans | -169.5 | 140.3 | 141.5 | -117.4 | 178.6 | 177.7 | -177.5 | 0 | 109.3 | | |
| 297 | G | 35.4 | Very low | 41.1 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | | | cis | 131.9 | 102.2 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 298 | E | 49.3 | Very low | 41 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | | | trans | -70.3 | 157.9 | 159.3 | -60 | -172.1 | 132.5 | 0 | 0 | 109.3 | | |
| 299 | P | 47.9 | Very low | 40.9 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | | | cis | -131.7 | -170.2 | 12.3 | 42.8 | -26.9 | 0 | 0 | 0 | 114.1 | | |
| 300 | G | 33.7 | Very low | 41.4 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | | | trans | 156.3 | 122 | 158.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 301 | Q | 43.8 | Very low | 41.2 | Very low | 199 Ų | 199 | 139 Ų | 139 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | | | trans | -115.8 | 149.6 | 169.7 | -87.5 | -166.5 | -6.7 | 0 | 0 | 112.1 | | |
| 302 | A | 41 | Very low | 41 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | | | trans | 72.6 | 136.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 303 | G | 37.7 | Very low | 41.4 | Very low | 78 Ų | 78 | 142.4 Ų | 142.4 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | | | trans | 158.7 | 124.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 304 | E | 37.4 | Very low | 41.1 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | | | trans | -105.3 | 161.5 | -164.4 | -57.7 | -169.4 | 145.3 | 0 | 0 | 116.6 | | |
| 305 | R | 38.9 | Very low | 40.9 | Very low | 227 Ų | 227 | 144.4 Ų | 144.4 | 86% | 0.857 | 84% | 0.841 | S | S | * | * | | | | 102.5 | 123.7 | 128.8 | -154.2 | 174.4 | -66.4 | -163.5 | 0.3 | 119 | | |
| 306 | G | 37.9 | Very low | 40.9 | Very low | 75 Ų | 75 | 144.6 Ų | 144.6 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | | | trans | 157.4 | 94.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 307 | F | 46 | Very low | 41.6 | Very low | 204 Ų | 204 | 140.8 Ų | 140.8 | 90% | 0.895 | 84% | 0.839 | S | S | * | * | | | trans | -92.2 | 149.5 | 168.6 | -78.9 | -79.5 | 0 | 0 | 0 | 110.2 | | |
| 308 | P | 45.3 | Very low | 42 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 87% | 0.87 | 84% | 0.838 | S | S | * | * | | | | -140.5 | 172.5 | 67.2 | 37.7 | -19.6 | 0 | 0 | 0 | 114.9 | | |
| 309 | G | 37.7 | Very low | 42.2 | Very low | 68 Ų | 68 | 137.6 Ų | 137.6 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | | | cis | -165.5 | 172.5 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 310 | V | 46.7 | Very low | 42.4 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 89% | 0.885 | 83% | 0.833 | S | S | * | * | | | trans | -107.1 | -179.9 | -169.4 | -103.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 311 | P | 47.4 | Very low | 42.8 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | | | cis | -135.9 | 169.9 | -1.5 | 30.6 | -8.6 | 0 | 0 | 0 | 117.7 | | |
| 312 | G | 38.7 | Very low | 42.7 | Very low | 81 Ų | 81 | 137.3 Ų | 137.3 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | | | trans | -177.9 | 122.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 313 | R | 40.4 | Very low | 42.5 | Very low | 239 Ų | 239 | 141.7 Ų | 141.7 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | | | trans | -115 | 144.3 | -170 | -80.4 | -176.1 | 169.1 | -172.1 | -2.3 | 113.6 | | |
| 314 | Y | 35.2 | Very low | 42.8 | Very low | 246 Ų | 246 | 141.5 Ų | 141.5 | 97% | 0.965 | 83% | 0.832 | S | S | * | * | | | trans | -163.1 | 160.5 | 131.6 | -103.7 | -69.7 | 0 | 0 | 0 | 110.9 | | |
| 315 | G | 39.8 | Very low | 42.9 | Very low | 72 Ų | 72 | 143.3 Ų | 143.3 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | | | trans | 99.9 | 116.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 316 | Q | 42.3 | Very low | 42.8 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 91% | 0.911 | 84% | 0.844 | S | S | * | * | | | trans | -112 | 128.3 | 170.2 | -81 | -176.1 | -29.4 | 0 | 0 | 110.7 | | |
| 317 | P | 51.1 | Low | 43.1 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 83% | 0.831 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 150.9 | 167.1 | -14.8 | 30.9 | 0 | 0 | 0 | 112.6 | | |
| 318 | G | 44.8 | Very low | 42.5 | Very low | 66 Ų | 66 | 140.7 Ų | 140.7 | 68% | 0.68 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 161.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 319 | P | 51.9 | Low | 42.6 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 154.9 | -175 | 29.9 | -35.4 | 0 | 0 | 0 | 113.7 | | |
| 320 | P | 52.1 | Low | 42.8 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -72 | 146.6 | -173.8 | -17.9 | 32.9 | 0 | 0 | 0 | 114.5 | | |
| 321 | G | 43.7 | Very low | 42.4 | Very low | 79 Ų | 79 | 139.5 Ų | 139.5 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 141.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 322 | M | 40.5 | Very low | 42.1 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 95% | 0.951 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 147.3 | 177.8 | -70 | -177.3 | 68 | 0 | 0 | 112.9 | | |
| 323 | K | 37.1 | Very low | 42.4 | Very low | 204 Ų | 204 | 139 Ų | 139 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 121.9 | -177.7 | -178.7 | -178 | 179.4 | -176.2 | 0 | 111.3 | | |
| 324 | G | 43.5 | Very low | 42.3 | Very low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75 | 137.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 325 | E | 39.8 | Very low | 42.5 | Very low | 195 Ų | 195 | 133.7 Ų | 133.7 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 158.3 | 168.7 | -63.7 | -165.5 | 119.8 | 0 | 0 | 111.7 | G327 | E325-G327 PolarHBondContact O-N 3.48Š|
| 326 | K | 37.4 | Very low | 42.9 | Very low | 211 Ų | 211 | 133.3 Ų | 133.3 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 119.8 | -176.3 | -70.4 | -178.4 | 177 | 179.7 | 0 | 111.3 | | |
| 327 | G | 44 | Very low | 42.7 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66 | 141.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E325 | E325-G327 PolarHBondContact O-N 3.48Š|
| 328 | L | 33.9 | Very low | 41.8 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 143.4 | 170.9 | -73.5 | 162 | 0 | 0 | 0 | 110.7 | G330 | L328-G330 PolarHBondContact O-N 2.73Š|
| 329 | P | 45.7 | Very low | 41.7 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 121.9 | 175 | -22.7 | 34 | 0 | 0 | 0 | 112.2 | | |
| 330 | G | 42.5 | Very low | 40.9 | Very low | 64 Ų | 64 | 142.1 Ų | 142.1 | 66% | 0.66 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 149.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | L328 | L328-G330 PolarHBondContact O-N 2.73Š|
| 331 | P | 38.9 | Very low | 40.1 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 143.1 | -180 | 28.8 | -34.9 | 0 | 0 | 0 | 111.9 | G333 | P331-G333 PolarHBondContact O-N 2.98Š|
| 332 | V | 41.2 | Very low | 40.1 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 117.2 | 179.3 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 333 | G | 44.6 | Very low | 40 | Very low | 53 Ų | 53 | 139.7 Ų | 139.7 | 55% | 0.546 | 82% | 0.815 | S | S | . | * | P | Polyproline II helix | trans | -69 | 149.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P331 R335 | P331-G333 PolarHBondContact O-N 2.98Å; G333-R335 PolarHBondContact O-N 3.17Å |
| 334 | P | 39 | Very low | 40.3 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 130.6 | -179.8 | 26.4 | -34 | 0 | 0 | 0 | 111 | G336 | P334-G336 PolarHBondContact O-N 3.3Š|
| 335 | R | 39.4 | Very low | 40.3 | Very low | 241 Ų | 241 | 135.6 Ų | 135.6 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | -52.1 | 111.9 | 179.5 | -179.4 | 176 | 179.1 | 166.4 | -0.7 | 110.7 | G333 | G333-R335 PolarHBondContact O-N 3.17Š|
| 336 | G | 47.3 | Very low | 40.2 | Very low | 63 Ų | 63 | 132.6 Ų | 132.6 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 143.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P334 | P334-G336 PolarHBondContact O-N 3.3Š|
| 337 | K | 37.7 | Very low | 40.4 | Very low | 187 Ų | 187 | 130 Ų | 130 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 148 | 159.9 | -69.4 | -175.2 | 176.7 | -177.1 | 0 | 108.3 | G339 | K337-G339 PolarHBondContact O-N 3.22Š|
| 338 | E | 33.6 | Very low | 40.1 | Very low | 190 Ų | 190 | 129.8 Ų | 129.8 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 126.3 | -164.8 | -68.1 | 170.7 | 158.2 | 0 | 0 | 112.3 | R340 | E338-R340 PolarHBondContact O-N 3.05Š|
| 339 | G | 42.4 | Very low | 40.1 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 129.4 | -178 | 0 | 0 | 0 | 0 | 0 | 110.9 | K337 A341 | K337-G339 PolarHBondContact O-N 3.22Å; G339-A341 PolarHBondContact O-N 2.99Å |
| 340 | R | 35 | Very low | 39.5 | Very low | 252 Ų | 252 | 135.7 Ų | 135.7 | 95% | 0.951 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 122.4 | 164.6 | -163.8 | 179.1 | -164.5 | 168.1 | 4.6 | 107.7 | E338 G342 | E338-R340 PolarHBondContact O-N 3.05Å; R340-G342 PolarHBondContact O-N 2.95Å |
| 341 | A | 35.7 | Very low | 39.2 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 128.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G339 | G339-A341 PolarHBondContact O-N 2.99Š|
| 342 | G | 42.3 | Very low | 38.7 | Very low | 69 Ų | 69 | 137.3 Ų | 137.3 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 143.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R340 | R340-G342 PolarHBondContact O-N 2.95Š|
| 343 | M | 38.9 | Very low | 38.4 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 133.7 | 168.5 | -68.6 | 173.9 | 63.1 | 0 | 0 | 109.2 | G345 | M343-G345 PolarHBondContact O-N 3.17Š|
| 344 | P | 43.7 | Very low | 38 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -55 | 133.8 | 172.1 | -26.3 | 35.4 | 0 | 0 | 0 | 111.2 | | |
| 345 | G | 42.4 | Very low | 38.3 | Very low | 62 Ų | 62 | 141 Ų | 141 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 159 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | M343 | M343-G345 PolarHBondContact O-N 3.17Š|
| 346 | P | 37.9 | Very low | 38.1 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 138.4 | 178.8 | 28.2 | -34.7 | 0 | 0 | 0 | 111.3 | G348 | P346-G348 PolarHBondContact O-N 3.14Š|
| 347 | I | 41.8 | Very low | 37.6 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 119.5 | 170 | -67.8 | 175.1 | 0 | 0 | 0 | 108 | | |
| 348 | G | 38.2 | Very low | 37.6 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 129.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P346 K350 | P346-G348 PolarHBondContact O-N 3.14Å; G348-K350 PolarHBondContact O-N 2.03Å |
| 349 | F | 33.2 | Very low | 38 | Very low | 212 Ų | 212 | 135.4 Ų | 135.4 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | | | trans | -74 | 113.1 | 160.6 | -81.8 | -89.7 | 0 | 0 | 0 | 109.1 | G351 | F349-G351 PolarHBondContact O-N 3.28Š|
| 350 | K | 34.5 | Very low | 37.7 | Very low | 207 Ų | 207 | 135.1 Ų | 135.1 | 90% | 0.9 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 120.5 | 169.3 | -177 | -177.4 | 177.1 | -173.6 | 0 | 108.2 | G348 | G348-K350 PolarHBondContact O-N 2.03Š|
| 351 | G | 35.7 | Very low | 37.7 | Very low | 65 Ų | 65 | 131.3 Ų | 131.3 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 154.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | F349 | F349-G351 PolarHBondContact O-N 3.28Š|
| 352 | D | 28.4 | Very low | 37.6 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 150.9 | 149.4 | -67.7 | -55.9 | 0 | 0 | 0 | 107.2 | | |
| 353 | R | 35.6 | Very low | 37.3 | Very low | 226 Ų | 226 | 134.8 Ų | 134.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | cis | -153.6 | 135.7 | 45.6 | -161.6 | -179.8 | -156.2 | 163.7 | 4.9 | 112.1 | V355 | R353-V355 HydrophobicContact CG-CG2 4.12Š|
| 354 | G | 34.9 | Very low | 37.3 | Very low | 83 Ų | 83 | 130.9 Ų | 130.9 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | trans | -130.6 | 86 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 355 | V | 45.2 | Very low | 37.4 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 62% | 0.618 | 81% | 0.806 | S | S | * | * | | | trans | -124.9 | 127.7 | 171.7 | -180 | 0 | 0 | 0 | 0 | 107 | R353 | R353-V355 HydrophobicContact CG-CG2 4.12Š|
| 356 | D | 35.4 | Very low | 37.2 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | 178.9 | 140.8 | 135.8 | -88.6 | -24.3 | 0 | 0 | 0 | 109.3 | | |
| 357 | G | 37.3 | Very low | 37.3 | Very low | 77 Ų | 77 | 130.3 Ų | 130.3 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | 165.2 | 40.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 358 | Y | 37.2 | Very low | 37.2 | Very low | 209 Ų | 209 | 131.5 Ų | 131.5 | 82% | 0.82 | 81% | 0.81 | S | S | * | * | | | trans | -61.5 | 179.8 | 167 | -68.9 | -87.2 | 0 | 0 | 0 | 112.6 | | |
| 359 | P | 42.8 | Very low | 37.3 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | cis | -132.3 | -173.1 | -5.7 | 22.5 | 2.5 | 0 | 0 | 0 | 114.1 | | |
| 360 | G | 35.9 | Very low | 37.5 | Very low | 68 Ų | 68 | 124.8 Ų | 124.8 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | | 143.4 | 82.3 | 127.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 361 | L | 34.7 | Very low | 37.8 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | | | trans | -159.5 | 121.1 | 130.7 | -113.1 | 171.5 | 0 | 0 | 0 | 111.3 | | |
| 362 | N | 33.6 | Very low | 38.3 | Very low | 161 Ų | 161 | 126 Ų | 126 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | trans | -87.9 | 153.7 | 162.8 | -57.7 | -27 | 0 | 0 | 0 | 107.6 | | |
| 363 | G | 36.5 | Very low | 38.4 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | cis | 153.5 | 147.8 | -0.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 364 | A | 39.3 | Very low | 38.6 | Very low | 101 Ų | 101 | 120 Ų | 120 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -142.1 | 145 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 365 | P | 45.7 | Very low | 38.8 | Very low | 134 Ų | 134 | 119.6 Ų | 119.6 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | | | trans | -130.3 | 175.6 | -151 | 34.9 | -14.3 | 0 | 0 | 0 | 115.7 | | |
| 366 | G | 37.1 | Very low | 38.5 | Very low | 69 Ų | 69 | 124.6 Ų | 124.6 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | 107.6 | 98.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 367 | A | 40.6 | Very low | 38.7 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 88% | 0.884 | 77% | 0.766 | S | S | * | * | | | | 84.2 | 133.9 | 66.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 368 | K | 38.8 | Very low | 38.7 | Very low | 182 Ų | 182 | 122 Ų | 122 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | cis | -153 | 160 | -5.7 | 179.5 | 169.9 | 172.9 | -177.6 | 0 | 110.4 | K1465 | K368-K1465 PolarHBondContact O-NZ 3.37Š|
| 369 | G | 40 | Very low | 38.5 | Very low | 46 Ų | 46 | 121.9 Ų | 121.9 | 47% | 0.474 | 77% | 0.768 | S | S | . | * | | | trans | -60.6 | 160.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 370 | D | 37.9 | Very low | 38.3 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 51% | 0.508 | 76% | 0.761 | S | S | . | * | | | | -120.9 | 124.8 | 115.6 | -81.4 | -42 | 0 | 0 | 0 | 104.3 | K1465 | D370-K1465 HydrophobicContact CB-CD 4.4Å; D370-K1465 HydrophobicContact CB-CG 4.24Å; D370-K1465 WeakPolarHBondContact OD2-CB 3.35Å; D370-K1465 VanDerWaalsContact OD2-CG 3.32Å; D370-K1465 WeakPolarHBondContact OD2-CG 3.3Å |
| 371 | R | 42 | Very low | 38.2 | Very low | 228 Ų | 228 | 122.7 Ų | 122.7 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | cis | 77.5 | 112.7 | 27.8 | -156.1 | -171.8 | -166.2 | -164.4 | 2.7 | 111.2 | | |
| 372 | G | 46.5 | Very low | 38.1 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | cis | 137.2 | 101.6 | -4.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 373 | I | 30.5 | Very low | 38.3 | Very low | 174 Ų | 174 | 125.6 Ų | 125.6 | 89% | 0.892 | 76% | 0.756 | S | S | * | * | | | trans | -143.3 | 129.6 | -177.9 | -60 | -179.6 | 0 | 0 | 0 | 106.6 | | |
| 374 | A | 39.4 | Very low | 38.4 | Very low | 90 Ų | 90 | 124.4 Ų | 124.4 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | | | cis | -149.6 | 152.5 | -16.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 375 | G | 38.9 | Very low | 38.4 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | | | trans | -97.3 | 128.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 376 | R | 38.4 | Very low | 38.6 | Very low | 206 Ų | 206 | 125.4 Ų | 125.4 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | | | trans | -157.5 | 145.2 | 158.8 | -67.9 | -155.3 | 87.8 | 143.8 | 7.3 | 108 | | |
| 377 | D | 40 | Very low | 38.6 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 56% | 0.561 | 74% | 0.74 | S | S | * | * | | | cis | -139.3 | 155.7 | -15.8 | -97.7 | -13.9 | 0 | 0 | 0 | 107.1 | | |
| 378 | G | 36.4 | Very low | 39.3 | Very low | 66 Ų | 66 | 126.4 Ų | 126.4 | 68% | 0.68 | 74% | 0.739 | S | S | * | * | | | trans | -76.8 | 177.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K380 | G378-K380 PolarHBondContact O-N 2.97Š|
| 379 | E | 34.1 | Very low | 39.4 | Very low | 208 Ų | 208 | 124 Ų | 124 | 97% | 0.972 | 74% | 0.742 | S | S | * | * | | | trans | -61.9 | 97.9 | 170.2 | -68.5 | -168.2 | 126.1 | 0 | 0 | 110.1 | G381 | E379-G381 PolarHBondContact O-N 2.84Š|
| 380 | K | 37.6 | Very low | 39.1 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | | | trans | -78.1 | 110.9 | -172.9 | -166.9 | -179 | -179.7 | -168.5 | 0 | 109.1 | G378 | G378-K380 PolarHBondContact O-N 2.97Š|
| 381 | G | 35.3 | Very low | 38.8 | Very low | 57 Ų | 57 | 125.3 Ų | 125.3 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | | | trans | -57.2 | 159.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E379 Q383 | E379-G381 PolarHBondContact O-N 2.84Å; G381-Q383 PolarHBondContact O-N 3.41Å |
| 382 | F | 31.3 | Very low | 38.5 | Very low | 226 Ų | 226 | 118.3 Ų | 118.3 | 99% | 0.991 | 78% | 0.776 | S | S | * | * | | | trans | -59.8 | 89 | -178.2 | -65.6 | -83 | 0 | 0 | 0 | 112.7 | | |
| 383 | Q | 37.7 | Very low | 37.8 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 128.7 | 173.2 | -168.2 | 166.5 | 7.8 | 0 | 0 | 109.5 | G381 | G381-Q383 PolarHBondContact O-N 3.41Š|
| 384 | G | 38.9 | Very low | 38.1 | Very low | 53 Ų | 53 | 123.1 Ų | 123.1 | 55% | 0.546 | 79% | 0.785 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 169.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 385 | P | 38.7 | Very low | 37.9 | Very low | 127 Ų | 127 | 122 Ų | 122 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 130.7 | -175.6 | 26.2 | -34.7 | 0 | 0 | 0 | 111.9 | | |
| 386 | P | 51.8 | Low | 37.7 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 135.9 | 171.4 | -22.5 | 34.2 | 0 | 0 | 0 | 112.2 | | |
| 387 | G | 36.1 | Very low | 37.7 | Very low | 65 Ų | 65 | 119.7 Ų | 119.7 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 149 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 388 | P | 56 | Low | 37.9 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 129.2 | -179.1 | 32.8 | -34 | 0 | 0 | 0 | 112.5 | | |
| 389 | P | 41.1 | Very low | 38.3 | Very low | 131 Ų | 131 | 123.8 Ų | 123.8 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | | -147.4 | 166.6 | 113.6 | 37.6 | -22.7 | 0 | 0 | 0 | 113.4 | | |
| 390 | G | 32.7 | Very low | 38.6 | Very low | 78 Ų | 78 | 117.3 Ų | 117.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | cis | 161.8 | 132.9 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 391 | G | 32.4 | Very low | 38.7 | Very low | 90 Ų | 90 | 119.3 Ų | 119.3 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | | | trans | 95.8 | 125.3 | 166 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 392 | G | 34.5 | Very low | 38.9 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | 152.8 | 86.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 393 | L | 32.8 | Very low | 39.6 | Very low | 174 Ų | 174 | 119.5 Ų | 119.5 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | | | trans | -59.9 | 153.4 | 170.4 | -56.4 | 158.7 | 0 | 0 | 0 | 109.9 | | |
| 394 | I | 36 | Very low | 39.9 | Very low | 169 Ų | 169 | 117.5 Ų | 117.5 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | cis | -134.5 | 153.3 | 24.6 | -62.7 | 164.3 | 0 | 0 | 0 | 108.6 | | |
| 395 | G | 35.4 | Very low | 40 | Very low | 68 Ų | 68 | 120.8 Ų | 120.8 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | -104.4 | 165.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 396 | D | 34.7 | Very low | 40.2 | Very low | 175 Ų | 175 | 118.1 Ų | 118.1 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | | | trans | -143 | 163.4 | 151.6 | -110.3 | -40.6 | 0 | 0 | 0 | 108.6 | | |
| 397 | G | 38.9 | Very low | 39.7 | Very low | 58 Ų | 58 | 123.6 Ų | 123.6 | 60% | 0.598 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 159.7 | -162.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 398 | P | 43.7 | Very low | 40 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 134.3 | 178.9 | 27.9 | -34.5 | 0 | 0 | 0 | 111.8 | G400 | P398-G400 PolarHBondContact O-N 3.32Š|
| 399 | P | 44.1 | Very low | 39.6 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 134.1 | 171.6 | -23.4 | 34.2 | 0 | 0 | 0 | 111.7 | | |
| 400 | G | 41.1 | Very low | 39.6 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 156.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P398 R402 | P398-G400 PolarHBondContact O-N 3.32Å; G400-R402 PolarHBondContact O-N 3.24Å |
| 401 | E | 38.7 | Very low | 40.1 | Very low | 197 Ų | 197 | 128 Ų | 128 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57 | 132.2 | -176.8 | -63.1 | -169.7 | 142.2 | 0 | 0 | 112.2 | G403 | E401-G403 PolarHBondContact O-N 3.48Š|
| 402 | R | 40.3 | Very low | 40.9 | Very low | 237 Ų | 237 | 126 Ų | 126 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | | | trans | -68.6 | 103.1 | 175.5 | 177.1 | -179.7 | -74.5 | -173.3 | -4 | 109 | G400 | G400-R402 PolarHBondContact O-N 3.24Š|
| 403 | G | 46.8 | Very low | 41.2 | Very low | 51 Ų | 51 | 125.7 Ų | 125.7 | 53% | 0.526 | 77% | 0.771 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 144.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E401 | E401-G403 PolarHBondContact O-N 3.48Š|
| 404 | P | 42.2 | Very low | 42 | Very low | 123 Ų | 123 | 121.7 Ų | 121.7 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 135.8 | -176 | 25.3 | -34.1 | 0 | 0 | 0 | 110.9 | G406 | P404-G406 PolarHBondContact O-N 3.27Š|
| 405 | P | 41.9 | Very low | 42.4 | Very low | 122 Ų | 122 | 117.2 Ų | 117.2 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -55 | 131.7 | 178.9 | -27.5 | 35.4 | 0 | 0 | 0 | 112.5 | | |
| 406 | G | 42.7 | Very low | 42.6 | Very low | 72 Ų | 72 | 117.8 Ų | 117.8 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P404 P408 | P404-G406 PolarHBondContact O-N 3.27Å; G406-P408 WeakPolarHBondContact O-CD 2.92Å |
| 407 | R | 41.3 | Very low | 43.1 | Very low | 245 Ų | 245 | 117.6 Ų | 117.6 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 127.7 | 175.5 | -68.2 | -174 | 178.4 | -159.5 | 1.2 | 109.8 | | |
| 408 | P | 42.9 | Very low | 43.5 | Very low | 126 Ų | 126 | 118.4 Ų | 118.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 140.4 | 168.8 | -25.1 | 35.3 | 0 | 0 | 0 | 111.3 | G406 | G406-P408 WeakPolarHBondContact O-CD 2.92Š|
| 409 | G | 47.4 | Very low | 43.6 | Very low | 65 Ų | 65 | 120.3 Ų | 120.3 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -69 | 155.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 410 | P | 41.6 | Very low | 43.6 | Very low | 135 Ų | 135 | 119.9 Ų | 119.9 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 132.2 | 178.4 | 29.4 | -34.2 | 0 | 0 | 0 | 111.6 | G412 | P410-G412 PolarHBondContact O-N 3.48Š|
| 411 | M | 43 | Very low | 43.9 | Very low | 173 Ų | 173 | 119.5 Ų | 119.5 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 117.7 | 176.9 | -174.6 | 168.8 | 64.6 | 0 | 0 | 111 | K1263 | M411-K1263 PolarHBondContact O-NZ 3.04Å; M411-K1263 VanDerWaalsContact O-NZ 3.11Å |
| 412 | G | 49.2 | Very low | 44 | Very low | 46 Ų | 46 | 116.1 Ų | 116.1 | 47% | 0.474 | 75% | 0.746 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 172.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P410 P414 K1263 | P410-G412 PolarHBondContact O-N 3.48Å; G412-P414 WeakPolarHBondContact O-CD 3.27Å; G412-K1263 VanDerWaalsContact C-NZ 3.28Å; G412-K1263 PolarHBondContact O-NZ 2.91Å |
| 413 | P | 40.7 | Very low | 44.4 | Very low | 75 Ų | 75 | 111.1 Ų | 111.1 | 49% | 0.487 | 74% | 0.744 | S | S | . | * | P | Polyproline II helix | trans | -83.8 | 116.9 | -177.6 | 31 | -33.1 | 0 | 0 | 0 | 114.3 | G415 | P413-G415 PolarHBondContact O-N 3.33Š|
| 414 | P | 49.1 | Very low | 44.1 | Very low | 90 Ų | 90 | 112.1 Ų | 112.1 | 58% | 0.584 | 76% | 0.755 | S | S | * | * | | | trans | -43.9 | 129.9 | 139.1 | -32.3 | 33.5 | 0 | 0 | 0 | 111.5 | G412 | G412-P414 WeakPolarHBondContact O-CD 3.27Š|
| 415 | G | 45.2 | Very low | 44.4 | Very low | 75 Ų | 75 | 115.8 Ų | 115.8 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | -86.3 | -179.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | P413 | P413-G415 PolarHBondContact O-N 3.33Š|
| 416 | A | 39.5 | Very low | 44.2 | Very low | 80 Ų | 80 | 116.1 Ų | 116.1 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | | | trans | -115.9 | 125.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 417 | D | 44.6 | Very low | 43.9 | Very low | 172 Ų | 172 | 115.9 Ų | 115.9 | 92% | 0.92 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 147.9 | 167.1 | -74 | -52.4 | 0 | 0 | 0 | 110.9 | | |
| 418 | G | 48.2 | Very low | 44.6 | Very low | 74 Ų | 74 | 110.4 Ų | 110.4 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 158.5 | -155.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 419 | I | 44.3 | Very low | 44.2 | Very low | 167 Ų | 167 | 114 Ų | 114 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 134.2 | 166.5 | -59.5 | 176.1 | 0 | 0 | 0 | 108.9 | | |
| 420 | P | 45.7 | Very low | 43.7 | Very low | 121 Ų | 121 | 114 Ų | 114 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 148.5 | 178.3 | -27.1 | 36 | 0 | 0 | 0 | 114.7 | | |
| 421 | G | 47.3 | Very low | 44.4 | Very low | 63 Ų | 63 | 113.4 Ų | 113.4 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 159.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 422 | P | 40.5 | Very low | 44.4 | Very low | 126 Ų | 126 | 115.8 Ų | 115.8 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 132.5 | -173.9 | 30.6 | -34.9 | 0 | 0 | 0 | 113.2 | | |
| 423 | P | 48 | Very low | 43.9 | Very low | 132 Ų | 132 | 116.2 Ų | 116.2 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 139.4 | 163.1 | -21.6 | 34.4 | 0 | 0 | 0 | 111.6 | | |
| 424 | G | 41.5 | Very low | 44 | Very low | 73 Ų | 73 | 115.2 Ų | 115.2 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 162.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 425 | Q | 47.8 | Very low | 43.7 | Very low | 199 Ų | 199 | 120 Ų | 120 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -88 | 133.7 | 176.3 | -66.7 | -177.8 | -5.7 | 0 | 0 | 113 | | |
| 426 | P | 37.8 | Very low | 43.4 | Very low | 129 Ų | 129 | 119.5 Ų | 119.5 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -135.2 | 153 | 130.9 | 36.3 | -25.2 | 0 | 0 | 0 | 111 | | |
| 427 | G | 35.9 | Very low | 43.8 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | cis | -165.4 | 170.6 | -6.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 428 | P | 56.3 | Low | 43.7 | Very low | 131 Ų | 131 | 122 Ų | 122 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | | | trans | -92.4 | 175.6 | -166.3 | 36.5 | -37.4 | 0 | 0 | 0 | 115.9 | | |
| 429 | Q | 35.7 | Very low | 43.2 | Very low | 202 Ų | 202 | 121.6 Ų | 121.6 | 94% | 0.944 | 78% | 0.78 | S | S | * | * | | | trans | 94.8 | 139.1 | 168.7 | -156.6 | 167.4 | 40.1 | 0 | 0 | 115.8 | | |
| 430 | G | 36.8 | Very low | 43.3 | Very low | 64 Ų | 64 | 122.5 Ų | 122.5 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | | | cis | -156 | 179.5 | 2.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 431 | P | 54.8 | Low | 43 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | trans | -110.2 | 163.6 | -165.7 | 39.8 | -33.5 | 0 | 0 | 0 | 116.5 | | |
| 432 | R | 43.2 | Very low | 42.7 | Very low | 223 Ų | 223 | 123.7 Ų | 123.7 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | trans | 92.2 | 136.9 | 155 | -163.9 | 175.5 | -176.7 | 167.5 | 2.1 | 118.3 | L987 | R432-L987 WeakPolarHBondContact O-CD2 3Š|
| 433 | G | 39.5 | Very low | 42.7 | Very low | 55 Ų | 55 | 128.2 Ų | 128.2 | 57% | 0.567 | 80% | 0.798 | S | S | * | * | | | trans | -174.4 | 55 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 434 | G | 42.8 | Very low | 42 | Very low | 54 Ų | 54 | 129.6 Ų | 129.6 | 56% | 0.557 | 79% | 0.793 | S | S | * | * | | | trans | -103 | 153.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 435 | Q | 42.7 | Very low | 41.8 | Very low | 190 Ų | 190 | 129.4 Ų | 129.4 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | cis | -149.8 | -176.6 | 36.2 | -105.1 | 173.6 | -9.7 | 0 | 0 | 110 | | |
| 436 | G | 39.2 | Very low | 41.9 | Very low | 65 Ų | 65 | 128.2 Ų | 128.2 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | | | cis | 174.1 | -147 | 3.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 437 | L | 47.5 | Very low | 41.9 | Very low | 172 Ų | 172 | 128.2 Ų | 128.2 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | | | trans | -74.2 | 151.4 | -170.1 | -60.7 | 136.4 | 0 | 0 | 0 | 113.3 | | |
| 438 | P | 41.4 | Very low | 42 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | | -140.9 | 163.1 | 101.4 | 38 | -25.6 | 0 | 0 | 0 | 113.8 | | |
| 439 | G | 38.5 | Very low | 41.4 | Very low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | | | cis | -169.2 | 170.7 | 0.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P441 | G439-P441 WeakPolarHBondContact O-CD 3.26Š|
| 440 | L | 45.9 | Very low | 41.3 | Very low | 187 Ų | 187 | 132.4 Ų | 132.4 | 98% | 0.979 | 80% | 0.796 | S | S | * | * | | | trans | -92.1 | 121.4 | -174.4 | -73.5 | 157.7 | 0 | 0 | 0 | 112.7 | | |
| 441 | P | 40.3 | Very low | 41.8 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -132.2 | 140.4 | 140.8 | 35 | -23.3 | 0 | 0 | 0 | 111.5 | G439 | G439-P441 WeakPolarHBondContact O-CD 3.26Š|
| 442 | G | 39.9 | Very low | 41.2 | Very low | 82 Ų | 82 | 132.8 Ų | 132.8 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | cis | -142.8 | -177 | 0.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 443 | R | 40.7 | Very low | 41 | Very low | 220 Ų | 220 | 131.1 Ų | 131.1 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | -118.1 | 150 | -172.5 | 171.4 | 177.5 | 160.6 | 175.1 | -3.6 | 110.5 | | |
| 444 | E | 34.1 | Very low | 41.6 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | | | trans | 69.6 | 153.9 | 179.5 | -77 | 150.7 | -143.2 | 0 | 0 | 115 | | |
| 445 | G | 37.9 | Very low | 42 | Very low | 68 Ų | 68 | 133.3 Ų | 133.3 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | cis | -123.8 | 162.5 | 9.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 446 | L | 48.5 | Very low | 42.1 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | | | trans | -71.1 | 139.2 | 171.4 | -68.9 | 161 | 0 | 0 | 0 | 110.7 | | |
| 447 | P | 37.9 | Very low | 42.2 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | | -145 | 132.9 | 122.8 | 33.2 | -17.3 | 0 | 0 | 0 | 114.9 | | |
| 448 | G | 37.9 | Very low | 42.1 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | | | trans | 106.5 | 97.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | K450 | G448-K450 PolarHBondContact O-N 3.26Å; G448-K450 VanDerWaalsContact O-N 3.17Å |
| 449 | Q | 44.3 | Very low | 42.2 | Very low | 202 Ų | 202 | 126 Ų | 126 | 94% | 0.944 | 76% | 0.758 | S | S | * | * | | | trans | -71.4 | 97.7 | 154.1 | -71.9 | -178.3 | -0 | 0 | 0 | 109.2 | | |
| 450 | K | 33.9 | Very low | 42.5 | Very low | 212 Ų | 212 | 124.7 Ų | 124.7 | 92% | 0.922 | 75% | 0.746 | S | S | * | * | | | trans | -164 | 134.6 | 166.6 | -140 | 170 | -174.9 | 173.9 | 0 | 114.5 | G448 | G448-K450 PolarHBondContact O-N 3.26Å; G448-K450 VanDerWaalsContact O-N 3.17Å |
| 451 | G | 47.8 | Very low | 42.3 | Very low | 61 Ų | 61 | 123.8 Ų | 123.8 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | | | trans | 101 | 55.5 | 147 | 0 | 0 | 0 | 0 | 0 | 118 | K453 | G451-K453 PolarHBondContact O-N 3.36Š|
| 452 | E | 40.8 | Very low | 42.4 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | | | trans | -49.9 | 121.4 | 141.2 | -90.2 | -179.2 | 153.7 | 0 | 0 | 108.7 | G194 | G194-E452 VanDerWaalsContact C-CD 3.48Å; G194-E452 PolarHBondContact N-OE2 3.09Å; G194-E452 VanDerWaalsContact O-CB 3.25Å; G194-E452 WeakPolarHBondContact O-CB 3.43Å; G194-E452 VanDerWaalsContact O-CD 3.26Å; G194-E452 WeakPolarHBondContact O-CG 3.29Å |
| 453 | K | 39.5 | Very low | 42.4 | Very low | 187 Ų | 187 | 121.5 Ų | 121.5 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | | | trans | -156.6 | 137.9 | -168.1 | -175.6 | -172.3 | 173.7 | -170.8 | 0 | 113 | G451 | G451-K453 PolarHBondContact O-N 3.36Š|
| 454 | G | 51.9 | Low | 42.1 | Very low | 41 Ų | 41 | 120 Ų | 120 | 42% | 0.423 | 72% | 0.724 | S | S | . | * | | | cis | -144.1 | 131.4 | -21.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | M195 A456 | M195-G454 WeakPolarHBondContact CE-O 3.32Å; M195-G454 WeakPolarHBondContact SD-CA 3.17Å; M195-G454 PolarHBondContact SD-N 2.62Å; G454-A456 PolarHBondContact O-N 3.36Å |
| 455 | D | 51.7 | Low | 42.3 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 61% | 0.61 | 73% | 0.732 | S | S | * | * | | | trans | -62.2 | 122.6 | 168.7 | -70 | -43.9 | 0 | 0 | 0 | 106.7 | M195 G457 | M195-D455 PolarHBondContact SD-N 3.02Å; D455-G457 VanDerWaalsContact C-N 3.26Å; D455-G457 PolarHBondContact O-N 2.84Å |
| 456 | A | 44.7 | Very low | 42.4 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 93% | 0.934 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -82.2 | 64.2 | -149.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G454 | G454-A456 PolarHBondContact O-N 3.36Š|
| 457 | G | 41.4 | Very low | 41.9 | Very low | 60 Ų | 60 | 121.1 Ų | 121.1 | 62% | 0.619 | 73% | 0.725 | S | S | * | * | | | trans | 101.6 | 105.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D455 P459 | D455-G457 VanDerWaalsContact C-N 3.26Å; D455-G457 PolarHBondContact O-N 2.84Å; G457-P459 WeakPolarHBondContact O-CD 3.45Å |
| 458 | I | 46.2 | Very low | 41.9 | Very low | 160 Ų | 160 | 119.2 Ų | 119.2 | 82% | 0.821 | 72% | 0.72 | S | S | * | * | | | trans | -80.8 | 118.9 | 156.2 | -60.1 | 172.5 | 0 | 0 | 0 | 107.1 | G460 | I458-G460 PolarHBondContact O-N 3.35Š|
| 459 | P | 43.3 | Very low | 41.9 | Very low | 73 Ų | 73 | 118.9 Ų | 118.9 | 47% | 0.474 | 72% | 0.717 | S | S | . | * | | | trans | -68.2 | 102.8 | 172.6 | -19.3 | 34.7 | 0 | 0 | 0 | 109.5 | G457 M1041 K1042 | G457-P459 WeakPolarHBondContact O-CD 3.45Å; P459-M1041 WeakPolarHBondContact CB-O 3.27Å; P459-K1042 VanDerWaalsContact C-N 3.26Å; P459-K1042 CarbonylContact O-C 3.6Å; P459-K1042 WeakPolarHBondContact O-CA 3.39Å; P459-K1042 PolarHBondContact O-N 3.03Å; P459-K1042 VanDerWaalsContact O-N 3.1Å |
| 460 | G | 43.6 | Very low | 41.7 | Very low | 38 Ų | 38 | 119.3 Ų | 119.3 | 39% | 0.392 | 72% | 0.716 | S | S | . | * | B | Isolated β-bridge | trans | -62.4 | 143.9 | -158.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | I458 K1042 | I458-G460 PolarHBondContact O-N 3.35Å; G460-K1042 WeakPolarHBondContact O-CA 3.32Å; G460-K1042 PolarHBondContact O-N 2.87Å |
| 461 | M | 41.2 | Very low | 41.9 | Very low | 168 Ų | 168 | 115 Ų | 115 | 83% | 0.828 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 143 | 175 | -68.6 | 169.2 | 64.4 | 0 | 0 | 112 | G463 | M461-G463 PolarHBondContact O-N 2.97Š|
| 462 | P | 43 | Very low | 41.3 | Very low | 91 Ų | 91 | 115.6 Ų | 115.6 | 59% | 0.591 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 123.3 | 165.7 | -22.3 | 34.2 | 0 | 0 | 0 | 109 | K1042 | P462-K1042 HydrophobicContact CG-CB 4.35Å; P462-K1042 HydrophobicContact CG-CD 3.88Å; P462-K1042 HydrophobicContact CG-CG 3.82Å |
| 463 | G | 39.5 | Very low | 41.7 | Very low | 70 Ų | 70 | 118.3 Ų | 118.3 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 139.4 | -163.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | M461 R465 | M461-G463 PolarHBondContact O-N 2.97Å; G463-R465 PolarHBondContact O-N 2.88Å |
| 464 | E | 35.8 | Very low | 41.8 | Very low | 189 Ų | 189 | 115.5 Ų | 115.5 | 88% | 0.883 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 137.7 | 147.2 | -68.4 | -166.1 | 128.7 | 0 | 0 | 108.2 | G466 | E464-G466 VanDerWaalsContact C-N 3.31Å; E464-G466 PolarHBondContact O-N 2.79Å |
| 465 | R | 37.4 | Very low | 41 | Very low | 247 Ų | 247 | 116.9 Ų | 116.9 | 93% | 0.932 | 74% | 0.744 | S | S | * | * | | | trans | -65.5 | 98.3 | 166.1 | 175.2 | -175 | -69.3 | 169.8 | -2.7 | 106.8 | G463 S467 | G463-R465 PolarHBondContact O-N 2.88Å; R465-S467 PolarHBondContact O-N 2.86Å |
| 466 | G | 40.7 | Very low | 41 | Very low | 61 Ų | 61 | 117.6 Ų | 117.6 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | | | trans | -54.3 | 125.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | E464 A468 | E464-G466 VanDerWaalsContact C-N 3.31Å; E464-G466 PolarHBondContact O-N 2.79Å; G466-A468 PolarHBondContact O-N 3.05Å; G466-A468 VanDerWaalsContact O-N 3.1Å |
| 467 | S | 37.4 | Very low | 41.1 | Very low | 119 Ų | 119 | 121.2 Ų | 121.2 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | trans | -59.8 | 109.3 | 154 | 50.9 | 0 | 0 | 0 | 0 | 106.8 | R465 G469 | R465-S467 PolarHBondContact O-N 2.86Å; S467-G469 PolarHBondContact O-N 3.07Å |
| 468 | A | 38 | Very low | 40.7 | Very low | 90 Ų | 90 | 121.9 Ų | 121.9 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 135.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G466 F470 | G466-A468 PolarHBondContact O-N 3.05Å; G466-A468 VanDerWaalsContact O-N 3.1Å; A468-F470 PolarHBondContact O-N 3.07Å |
| 469 | G | 38.9 | Very low | 40.8 | Very low | 67 Ų | 67 | 122.1 Ų | 122.1 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 129.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S467 P471 | S467-G469 PolarHBondContact O-N 3.07Å; G469-P471 WeakPolarHBondContact O-CD 3.31Å |
| 470 | F | 38.2 | Very low | 40.6 | Very low | 211 Ų | 211 | 124.9 Ų | 124.9 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 118 | -178.6 | -70.9 | -95.6 | 0 | 0 | 0 | 112.1 | A468 | A468-F470 PolarHBondContact O-N 3.07Š|
| 471 | P | 39.9 | Very low | 40 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 129.1 | 158.7 | -0.9 | 21.5 | 0 | 0 | 0 | 108.6 | G469 | G469-P471 WeakPolarHBondContact O-CD 3.31Š|
| 472 | G | 35.3 | Very low | 40.4 | Very low | 74 Ų | 74 | 123.7 Ų | 123.7 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | 42.1 | 108.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 473 | Q | 47.2 | Very low | 40 | Very low | 192 Ų | 192 | 131.6 Ų | 131.6 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | | | trans | -57.9 | 156.7 | 141.1 | -70 | -175.3 | 6.9 | 0 | 0 | 109.5 | | |
| 474 | P | 43.6 | Very low | 40 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | cis | -142.4 | -179.5 | 29.5 | 41.5 | -22.4 | 0 | 0 | 0 | 117.1 | | |
| 475 | G | 33.3 | Very low | 40.6 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | | | trans | 143.6 | 97 | 161.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 476 | P | 51.6 | Low | 41.1 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | trans | -90.9 | 137.9 | -178.8 | 33.4 | -33 | 0 | 0 | 0 | 115.1 | | |
| 477 | K | 46.7 | Very low | 41 | Very low | 189 Ų | 189 | 123.5 Ų | 123.5 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | 73.2 | 125.1 | 162.3 | -166.4 | 169.1 | -173.9 | 173.2 | 0 | 119.3 | | |
| 478 | G | 34 | Very low | 41 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | -171.8 | 72.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 479 | E | 48.3 | Very low | 40.9 | Very low | 166 Ų | 166 | 124.1 Ų | 124.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -77.2 | 128.5 | 153 | -61.3 | 168 | 113.4 | 0 | 0 | 106.1 | | |
| 480 | P | 38.3 | Very low | 41 | Very low | 131 Ų | 131 | 128 Ų | 128 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | | -141.2 | -176.5 | 65.8 | 37.4 | -18.2 | 0 | 0 | 0 | 113.2 | | |
| 481 | G | 31.4 | Very low | 41.4 | Very low | 75 Ų | 75 | 124 Ų | 124 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | cis | -179.6 | 166.6 | -3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 482 | A | 50.1 | Low | 41.3 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | | | trans | -92.4 | 132.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 483 | R | 33.9 | Very low | 41.6 | Very low | 258 Ų | 258 | 123.5 Ų | 123.5 | 97% | 0.974 | 81% | 0.805 | S | S | * | * | | | trans | -159.1 | 146.8 | 149.5 | -115.7 | -178.1 | 167.1 | 170 | -3.5 | 110.6 | | |
| 484 | G | 39.5 | Very low | 41.6 | Very low | 59 Ų | 59 | 120.7 Ų | 120.7 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | | | cis | -174 | 167.3 | -3.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 485 | V | 48.2 | Very low | 41.4 | Very low | 149 Ų | 149 | 118 Ų | 118 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | | | trans | -101.8 | 118.8 | 169 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 486 | P | 48 | Very low | 41.9 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -97.8 | 148.2 | 177.4 | -4.1 | 25.1 | 0 | 0 | 0 | 113.6 | | |
| 487 | G | 39.6 | Very low | 41.2 | Very low | 66 Ų | 66 | 122.7 Ų | 122.7 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | trans | 100.4 | 78.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 488 | S | 36.9 | Very low | 40.7 | Very low | 116 Ų | 116 | 117 Ų | 117 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | | 69.5 | 124.9 | 55.8 | -46.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 489 | S | 36.8 | Very low | 41 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | cis | -147.9 | 141.3 | 30.6 | 36.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 490 | I | 40.1 | Very low | 41 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | | 71.5 | 132.1 | 70.7 | -59.5 | 158 | 0 | 0 | 0 | 113.1 | | |
| 491 | P | 45.8 | Very low | 41.1 | Very low | 128 Ų | 128 | 118.9 Ų | 118.9 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | | | cis | -142.1 | -172.6 | -26.3 | 41.1 | -21.3 | 0 | 0 | 0 | 115.2 | | |
| 492 | G | 38 | Very low | 41.5 | Very low | 81 Ų | 81 | 122 Ų | 122 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | 148.2 | 126 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 493 | A | 41.7 | Very low | 40.6 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | -167.9 | -178.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 494 | P | 48.4 | Very low | 40.8 | Very low | 133 Ų | 133 | 116.2 Ų | 116.2 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | cis | -130.6 | -173.6 | -11.2 | 42.3 | -25.9 | 0 | 0 | 0 | 114.1 | | |
| 495 | G | 39.5 | Very low | 40.8 | Very low | 72 Ų | 72 | 116.6 Ų | 116.6 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | -171.7 | 147 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 496 | K | 42.9 | Very low | 40.4 | Very low | 183 Ų | 183 | 115.3 Ų | 115.3 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | | | trans | -166.1 | 163.1 | -159.2 | -95.9 | -100.8 | -173.3 | -174.4 | 0 | 110.3 | | |
| 497 | D | 37.5 | Very low | 40.4 | Very low | 115 Ų | 115 | 111.5 Ų | 111.5 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | | | cis | -149 | 167 | -3.1 | -150.2 | -23.7 | 0 | 0 | 0 | 108.1 | | |
| 498 | G | 36.2 | Very low | 40.2 | Very low | 69 Ų | 69 | 115.7 Ų | 115.7 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | | | trans | 171.7 | 134.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 499 | W | 40.3 | Very low | 40.2 | Very low | 220 Ų | 220 | 118.1 Ų | 118.1 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | | | trans | -133.4 | -178.9 | -172.7 | -70.3 | 62.1 | 0 | 0 | 0 | 109.9 | | |
| 500 | P | 48.4 | Very low | 40.7 | Very low | 112 Ų | 112 | 114.7 Ų | 114.7 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | | | cis | -130.5 | -179.1 | -13.4 | 27.5 | -5 | 0 | 0 | 0 | 114.7 | | |
| 501 | G | 39.5 | Very low | 40.6 | Very low | 78 Ų | 78 | 113.1 Ų | 113.1 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | | | trans | -173.1 | 114.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 502 | L | 39.2 | Very low | 40.9 | Very low | 139 Ų | 139 | 111 Ų | 111 | 73% | 0.728 | 70% | 0.701 | S | S | * | * | | | trans | -106.7 | 140 | -174.6 | -78.6 | 80.1 | 0 | 0 | 0 | 113 | | |
| 503 | N | 32.5 | Very low | 41.4 | Very low | 167 Ų | 167 | 109.1 Ų | 109.1 | 89% | 0.893 | 68% | 0.682 | S | S | * | * | | | | 170.5 | 153.9 | 102.1 | -95.2 | -48.4 | 0 | 0 | 0 | 114.6 | | |
| 504 | G | 37.4 | Very low | 41.3 | Very low | 76 Ų | 76 | 108.1 Ų | 108.1 | 78% | 0.784 | 67% | 0.666 | S | S | * | * | | | trans | 159.7 | 129 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 505 | A | 39.4 | Very low | 41.6 | Very low | 66 Ų | 66 | 108 Ų | 108 | 55% | 0.545 | 67% | 0.666 | S | S | . | * | | | trans | -176.7 | 146.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 506 | V | 40.5 | Very low | 42.1 | Very low | 123 Ų | 123 | 107.7 Ų | 107.7 | 75% | 0.745 | 66% | 0.663 | S | S | * | * | | | trans | -149.5 | 115.2 | 163.1 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | S1359 P1360 G1361 | V506-S1359 CarbonylContact C-O 3.5Å; V506-P1360 CarbonylContact O-C 3.55Å; V506-P1360 WeakPolarHBondContact O-CA 3.42Å; V506-P1360 WeakPolarHBondContact O-CB 3.34Å; V506-G1361 PolarHBondContact O-N 3.2Å |
| 507 | G | 47.8 | Very low | 41.8 | Very low | 43 Ų | 43 | 105.3 Ų | 105.3 | 44% | 0.443 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -50 | 160.9 | -162.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | S1359 G1361 | G507-S1359 VanDerWaalsContact CA-O 3.29Å; G507-S1359 WeakPolarHBondContact CA-O 3.46Å; G507-S1359 PolarHBondContact N-O 3.46Å; G507-G1361 VanDerWaalsContact C-N 3.29Å; G507-G1361 PolarHBondContact O-N 2.62Å; G507-G1361 VanDerWaalsContact O-N 3.15Å |
| 508 | K | 35.8 | Very low | 42 | Very low | 153 Ų | 153 | 111 Ų | 111 | 67% | 0.665 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 141 | 173.2 | -119 | 170.8 | -162.2 | 175.1 | 0 | 111.6 | P1360 G1361 | K508-P1360 VanDerWaalsContact CD-O 3.25Å; K508-P1360 WeakPolarHBondContact CD-O 3.47Å; K508-P1360 VanDerWaalsContact CE-O 3.29Å; K508-P1360 WeakPolarHBondContact CE-O 3.3Å; K508-P1360 VanDerWaalsContact CG-O 3.31Å; K508-P1360 WeakPolarHBondContact CG-O 3.07Å; K508-G1361 WeakPolarHBondContact CE-O 3.35Å; K508-G1361 VanDerWaalsContact CG-O 3.28Å; K508-G1361 WeakPolarHBondContact CG-O 3.32Å |
| 509 | K | 35.9 | Very low | 42.4 | Very low | 168 Ų | 168 | 110.7 Ų | 110.7 | 73% | 0.73 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 163.8 | 176.9 | -176.8 | -179 | 175.9 | -174.6 | 0 | 112.5 | E1362 | K509-E1362 WeakPolarHBondContact CD-OE1 3.26Š|
| 510 | G | 47.4 | Very low | 42.5 | Very low | 33 Ų | 33 | 108.1 Ų | 108.1 | 34% | 0.34 | 68% | 0.676 | S | S | . | * | | | trans | -158.5 | -168.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 511 | E | 38.1 | Very low | 42.3 | Very low | 115 Ų | 115 | 107.9 Ų | 107.9 | 54% | 0.537 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -72 | 156.2 | -150.5 | -57.1 | 92.8 | 157.9 | 0 | 0 | 117.6 | R1059 | E511-R1059 VanDerWaalsContact O-CD 3.31Å; E511-R1059 WeakPolarHBondContact O-CD 3.49Å; E511-R1059 PolarHBondContact O-NE 3.43Å; E511-R1059 IonicContact OE2-CZ 3.73Å; E511-R1059 IonicContact OE2-NE 3.89Å; E511-R1059 IonicContact OE2-NH2 3.79Å; E511-R1059 PolarHBondContact OE2-NH2 3.29Å |
| 512 | P | 52.2 | Low | 42.3 | Very low | 84 Ų | 84 | 107.7 Ų | 107.7 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -75.7 | 173 | 174.1 | -10.1 | 29 | 0 | 0 | 0 | 114.4 | | |
| 513 | G | 48.6 | Very low | 42.2 | Very low | 42 Ų | 42 | 106.4 Ų | 106.4 | 43% | 0.433 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -103.1 | 164 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 514 | P | 40.5 | Very low | 42.5 | Very low | 79 Ų | 79 | 104.2 Ų | 104.2 | 51% | 0.513 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -84.5 | 159.9 | -166.4 | 34.4 | -37.1 | 0 | 0 | 0 | 114.3 | E1056 | P514-E1056 VanDerWaalsContact CD-O 3.27Å; P514-E1056 WeakPolarHBondContact CD-O 3.28Å; P514-E1056 VanDerWaalsContact CG-O 3.29Å; P514-E1056 WeakPolarHBondContact CG-O 3.34Å |
| 515 | P | 53.9 | Low | 42.6 | Very low | 130 Ų | 130 | 107 Ų | 107 | 84% | 0.844 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 148.1 | -174.2 | -15.4 | 31.5 | 0 | 0 | 0 | 115.1 | | |
| 516 | G | 49.8 | Very low | 42.6 | Very low | 66 Ų | 66 | 112.7 Ų | 112.7 | 68% | 0.68 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -78 | 161.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 517 | P | 37.9 | Very low | 42.6 | Very low | 134 Ų | 134 | 110.7 Ų | 110.7 | 87% | 0.87 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 151.4 | -170.8 | 30.8 | -36 | 0 | 0 | 0 | 114.5 | | |
| 518 | R | 41.3 | Very low | 42.2 | Very low | 235 Ų | 235 | 113.6 Ų | 113.6 | 89% | 0.887 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 126.2 | -177.9 | 179.8 | 177.7 | 179 | 173.5 | 0.9 | 112.2 | | |
| 519 | G | 43.4 | Very low | 42.6 | Very low | 62 Ų | 62 | 111.8 Ų | 111.8 | 64% | 0.639 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 157.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 520 | I | 43.4 | Very low | 42.7 | Very low | 165 Ų | 165 | 107.1 Ų | 107.1 | 85% | 0.846 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 136.6 | -173.7 | -58.5 | 171.4 | 0 | 0 | 0 | 110.6 | G522 | I520-G522 PolarHBondContact O-N 3.15Š|
| 521 | P | 44.5 | Very low | 42.7 | Very low | 107 Ų | 107 | 111.4 Ų | 111.4 | 70% | 0.695 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 125.1 | 169.6 | -14.5 | 29.4 | 0 | 0 | 0 | 110.9 | | |
| 522 | G | 39.4 | Very low | 43.2 | Very low | 75 Ų | 75 | 112.4 Ų | 112.4 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 124.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | I520 | I520-G522 PolarHBondContact O-N 3.15Š|
| 523 | D | 36.4 | Very low | 42.8 | Very low | 111 Ų | 111 | 111.1 Ų | 111.1 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 131.1 | 170.2 | -73.4 | -24.5 | 0 | 0 | 0 | 110.5 | S1631 | D523-S1631 WeakPolarHBondContact OD2-CA 3.29Å; D523-S1631 WeakPolarHBondContact OD2-CB 3.1Å; D523-S1631 PolarHBondContact OD2-OG 2.94Å |
| 524 | S | 39.7 | Very low | 42.6 | Very low | 121 Ų | 121 | 115.3 Ų | 115.3 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | trans | -159 | 124.4 | 142.6 | -88.1 | 0 | 0 | 0 | 0 | 112.3 | H526 | S524-H526 PolarHBondContact O-N 2.88Å; S524-H526 VanDerWaalsContact O-N 3.1Å |
| 525 | I | 38.5 | Very low | 43 | Very low | 136 Ų | 136 | 120.2 Ų | 120.2 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | | | trans | -59.4 | 103.7 | 174.3 | -60.7 | 158.9 | 0 | 0 | 0 | 109.4 | | |
| 526 | H | 38.8 | Very low | 42.6 | Very low | 185 Ų | 185 | 116.6 Ų | 116.6 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | | | trans | -179.1 | 82.2 | 145.6 | -86.7 | -43.7 | 0 | 0 | 0 | 109 | S524 V528 | S524-H526 PolarHBondContact O-N 2.88Å; S524-H526 VanDerWaalsContact O-N 3.1Å; H526-V528 PolarHBondContact O-N 3.36Å |
| 527 | G | 41.4 | Very low | 42.3 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | | | trans | -76.9 | 115.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 528 | V | 39.9 | Very low | 43.1 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 62% | 0.624 | 76% | 0.758 | S | S | * | * | | | trans | -125.5 | 134.5 | 141 | -175.3 | 0 | 0 | 0 | 0 | 106.4 | F69 H526 G530 | F69-V528 HydrophobicContact CZ-CG1 3.99Å; H526-V528 PolarHBondContact O-N 3.36Å; V528-G530 PolarHBondContact O-N 2.83Å |
| 529 | P | 43.4 | Very low | 43.3 | Very low | 115 Ų | 115 | 113.6 Ų | 113.6 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137.1 | 178.2 | -25.3 | 34.7 | 0 | 0 | 0 | 111.2 | P531 | P529-P531 WeakPolarHBondContact O-CD 3.37Å; P529-P531 VanDerWaalsContact O-N 3.11Å |
| 530 | G | 39.2 | Very low | 43 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 119.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | V528 V532 | V528-G530 PolarHBondContact O-N 2.83Å; G530-V532 PolarHBondContact O-N 3.26Å |
| 531 | P | 46.2 | Very low | 43.2 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141.6 | -170.1 | 22.9 | -32.9 | 0 | 0 | 0 | 110.2 | P529 G533 | P529-P531 WeakPolarHBondContact O-CD 3.37Å; P529-P531 VanDerWaalsContact O-N 3.11Å; P531-G533 PolarHBondContact O-N 3.18Å |
| 532 | V | 48.5 | Very low | 42.9 | Very low | 137 Ų | 137 | 118.2 Ų | 118.2 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | | | trans | -52.9 | 113.9 | -177.3 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | G530 | G530-V532 PolarHBondContact O-N 3.26Š|
| 533 | G | 44.2 | Very low | 42.9 | Very low | 57 Ų | 57 | 125.8 Ų | 125.8 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | | | trans | -53.6 | 130.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P531 M535 | P531-G533 PolarHBondContact O-N 3.18Å; G533-M535 PolarHBondContact O-N 3.37Å |
| 534 | P | 43.9 | Very low | 43.4 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | trans | -58.7 | 135 | -164 | 20.6 | -32.5 | 0 | 0 | 0 | 112 | G536 | P534-G536 PolarHBondContact O-N 2.03Š|
| 535 | M | 48.8 | Very low | 43.6 | Very low | 182 Ų | 182 | 125.6 Ų | 125.6 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | | | trans | -59.8 | 107.7 | -176.8 | 178.3 | 179.4 | 65 | 0 | 0 | 111.2 | G533 | G533-M535 PolarHBondContact O-N 3.37Š|
| 536 | G | 45.4 | Very low | 44.1 | Very low | 55 Ų | 55 | 128.2 Ų | 128.2 | 57% | 0.567 | 77% | 0.77 | S | S | * | * | | | trans | -62.7 | 150.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P534 | P534-G536 PolarHBondContact O-N 2.03Š|
| 537 | P | 43.6 | Very low | 44.7 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -65.1 | 139.7 | -178.6 | 26.9 | -34.3 | 0 | 0 | 0 | 111.9 | G539 | P537-G539 PolarHBondContact O-N 2.95Š|
| 538 | K | 55.4 | Low | 45.1 | Very low | 211 Ų | 211 | 126.1 Ų | 126.1 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | | | trans | -73.4 | 94 | -176.9 | -175.8 | -167.5 | 172.8 | -169.3 | 0 | 112 | | |
| 539 | G | 44.6 | Very low | 45.9 | Very low | 49 Ų | 49 | 127.2 Ų | 127.2 | 51% | 0.505 | 77% | 0.77 | S | S | . | * | | | trans | -77.6 | -177.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P537 K541 | P537-G539 PolarHBondContact O-N 2.95Å; G539-K541 PolarHBondContact O-N 2.84Å |
| 540 | D | 37.4 | Very low | 46.5 | Very low | 173 Ų | 173 | 127 Ų | 127 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -70.4 | 68.8 | 171.3 | -79.9 | -44.4 | 0 | 0 | 0 | 111.5 | G542 | D540-G542 PolarHBondContact O-N 2.85Š|
| 541 | K | 47.3 | Very low | 47.4 | Very low | 206 Ų | 206 | 125.7 Ų | 125.7 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 25.5 | 56.8 | -165.9 | -154.4 | -174.6 | -177.5 | -173.1 | 0 | 113.1 | G539 | G539-K541 PolarHBondContact O-N 2.84Š|
| 542 | G | 39.4 | Very low | 47.9 | Very low | 51 Ų | 51 | 131.1 Ų | 131.1 | 53% | 0.526 | 76% | 0.76 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 169.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D540 D544 | D540-G542 PolarHBondContact O-N 2.85Å; G542-D544 PolarHBondContact O-N 2.96Å |
| 543 | Y | 39.5 | Very low | 48.6 | Very low | 234 Ų | 234 | 130.2 Ų | 130.2 | 92% | 0.918 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -47.6 | 138.1 | 162.4 | -64.4 | -89.2 | 0 | 0 | 0 | 109.3 | G545 | Y543-G545 PolarHBondContact O-N 2.88Å; Y543-G545 VanDerWaalsContact O-N 3.11Å |
| 544 | D | 45.8 | Very low | 49.4 | Very low | 160 Ų | 160 | 129 Ų | 129 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 123.9 | 171.6 | -61.1 | -58.3 | 0 | 0 | 0 | 107.7 | G542 Q546 | G542-D544 PolarHBondContact O-N 2.96Å; D544-Q546 PolarHBondContact O-N 3.18Å |
| 545 | G | 44.2 | Very low | 50.3 | Low | 69 Ų | 69 | 126.5 Ų | 126.5 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 126.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y543 D547 | Y543-G545 PolarHBondContact O-N 2.88Å; Y543-G545 VanDerWaalsContact O-N 3.11Å; G545-D547 PolarHBondContact O-N 3.12Å; G545-D547 VanDerWaalsContact O-N 3.16Å |
| 546 | Q | 48.8 | Very low | 51.1 | Low | 190 Ų | 190 | 123.9 Ų | 123.9 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 126.2 | 178.8 | -72.3 | -178.1 | -21.9 | 0 | 0 | 109.1 | D544 G548 | D544-Q546 PolarHBondContact O-N 3.18Å; Q546-G548 PolarHBondContact O-N 3.44Å |
| 547 | D | 52.3 | Low | 51.9 | Low | 151 Ų | 151 | 122.9 Ų | 122.9 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 116.7 | -176.9 | -76.6 | -49.1 | 0 | 0 | 0 | 109.3 | G545 T549 | G545-D547 PolarHBondContact O-N 3.12Å; G545-D547 VanDerWaalsContact O-N 3.16Å; D547-T549 PolarHBondContact O-N 3.2Å |
| 548 | G | 49 | Very low | 52.8 | Low | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 116.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q546 P550 | Q546-G548 PolarHBondContact O-N 3.44Å; G548-P550 WeakPolarHBondContact O-CD 3.03Å |
| 549 | T | 56.1 | Low | 52.9 | Low | 127 Ų | 127 | 122.7 Ų | 122.7 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | | | trans | -44.3 | 115.4 | -166.1 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | D547 G551 | D547-T549 PolarHBondContact O-N 3.2Å; T549-G551 PolarHBondContact O-N 3.43Å; T549-G551 VanDerWaalsContact O-N 3.11Å |
| 550 | P | 56.3 | Low | 53.5 | Low | 111 Ų | 111 | 122.8 Ų | 122.8 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 123.7 | -170.4 | -31.9 | 35.8 | 0 | 0 | 0 | 110.6 | G548 W552 | G548-P550 WeakPolarHBondContact O-CD 3.03Å; P550-W552 PolarHBondContact O-N 2.76Å; P550-W552 VanDerWaalsContact O-N 3.12Å |
| 551 | G | 58.1 | Low | 54.5 | Low | 41 Ų | 41 | 122 Ų | 122 | 42% | 0.423 | 72% | 0.717 | S | S | . | * | P | Polyproline II helix | trans | -51.6 | 123.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | T549 P553 | T549-G551 PolarHBondContact O-N 3.43Å; T549-G551 VanDerWaalsContact O-N 3.11Å; G551-P553 VanDerWaalsContact O-N 3.13Å |
| 552 | W | 57.9 | Low | 54.9 | Low | 238 Ų | 238 | 121.6 Ų | 121.6 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 123.6 | -174.9 | -76.9 | 72.4 | 0 | 0 | 0 | 108.6 | P550 G554 | P550-W552 PolarHBondContact O-N 2.76Å; P550-W552 VanDerWaalsContact O-N 3.12Å; W552-G554 PolarHBondContact O-N 3.33Å |
| 553 | P | 63.4 | Low | 55.5 | Low | 118 Ų | 118 | 122 Ų | 122 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 121 | -178.3 | -28.5 | 35.2 | 0 | 0 | 0 | 109.6 | G551 A555 | G551-P553 VanDerWaalsContact O-N 3.13Å; P553-A555 PolarHBondContact O-N 2.8Å |
| 554 | G | 59.9 | Low | 55.9 | Low | 31 Ų | 31 | 112.9 Ų | 112.9 | 32% | 0.32 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -51 | 130.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | W552 P556 | W552-G554 PolarHBondContact O-N 3.33Å; G554-P556 VanDerWaalsContact O-N 3.15Å |
| 555 | A | 63.6 | Low | 56 | Low | 77 Ų | 77 | 111.7 Ų | 111.7 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 124.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | P553 G557 | P553-A555 PolarHBondContact O-N 2.8Å; A555-G557 PolarHBondContact O-N 2.8Å |
| 556 | P | 65.5 | Low | 56.7 | Low | 126 Ų | 126 | 110.2 Ų | 110.2 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | | | trans | -54.8 | 112.9 | -175.3 | -28.8 | 35.5 | 0 | 0 | 0 | 110.2 | G554 | G554-P556 VanDerWaalsContact O-N 3.15Š|
| 557 | G | 61 | Low | 56.7 | Low | 34 Ų | 34 | 107.3 Ų | 107.3 | 35% | 0.351 | 67% | 0.67 | S | S | . | * | | | trans | -52.6 | 139.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A555 K559 | A555-G557 PolarHBondContact O-N 2.8Å; G557-K559 PolarHBondContact O-N 3.28Å; G557-K559 VanDerWaalsContact O-N 3.08Å |
| 558 | P | 64.2 | Low | 56.5 | Low | 123 Ų | 123 | 108.9 Ų | 108.9 | 80% | 0.799 | 67% | 0.666 | S | S | * | * | | | trans | -52.7 | 122.1 | -171.6 | 21 | -32.7 | 0 | 0 | 0 | 109.7 | G560 | P558-G560 PolarHBondContact O-N 2.81Š|
| 559 | K | 57.4 | Low | 56.6 | Low | 197 Ų | 197 | 109.8 Ų | 109.8 | 86% | 0.857 | 66% | 0.66 | S | S | * | * | | | trans | -63.8 | 102 | -171.9 | -178.9 | -179.3 | -179 | 177 | 0 | 109.1 | G557 D561 | G557-K559 PolarHBondContact O-N 3.28Å; G557-K559 VanDerWaalsContact O-N 3.08Å; K559-D561 PolarHBondContact O-N 2.83Å |
| 560 | G | 57.4 | Low | 56.4 | Low | 51 Ų | 51 | 115.1 Ų | 115.1 | 53% | 0.526 | 67% | 0.666 | S | S | . | * | | | trans | -47.4 | 135.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P558 K562 | P558-G560 PolarHBondContact O-N 2.81Å; G560-K562 PolarHBondContact O-N 2.79Å |
| 561 | D | 57 | Low | 56.3 | Low | 156 Ų | 156 | 115.7 Ų | 115.7 | 83% | 0.834 | 67% | 0.669 | S | S | * | * | | | trans | -56.8 | 135.5 | -162.9 | -74.4 | -62.4 | 0 | 0 | 0 | 113.2 | K559 G563 | K559-D561 PolarHBondContact O-N 2.83Å; D561-G563 PolarHBondContact O-N 3.46Å |
| 562 | K | 55.2 | Low | 56.1 | Low | 198 Ų | 198 | 117.3 Ų | 117.3 | 86% | 0.861 | 69% | 0.686 | S | S | * | * | | | trans | -73.7 | 91.9 | -178.3 | -169.8 | -172.5 | -179.9 | -168.8 | 0 | 109.2 | G560 G564 | G560-K562 PolarHBondContact O-N 2.79Å; K562-G564 PolarHBondContact O-N 2.86Å |
| 563 | G | 53.1 | Low | 56 | Low | 60 Ų | 60 | 115.1 Ų | 115.1 | 62% | 0.619 | 69% | 0.686 | S | S | * | * | | | trans | -46 | 124.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D561 | D561-G563 PolarHBondContact O-N 3.46Š|
| 564 | G | 47.2 | Very low | 55.8 | Low | 41 Ų | 41 | 119.1 Ų | 119.1 | 42% | 0.423 | 69% | 0.691 | S | S | . | * | | | trans | -69.6 | 153.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K562 C566 | K562-G564 PolarHBondContact O-N 2.86Å; G564-C566 PolarHBondContact O-N 3.34Å; G564-C566 PolarHBondContact O-SG 3Å |
| 565 | S | 49.4 | Very low | 55.7 | Low | 136 Ų | 136 | 119.8 Ų | 119.8 | 95% | 0.951 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -70.2 | 99 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 111 | | |
| 566 | C | 57.4 | Low | 55.5 | Low | 37 Ų | 37 | 125 Ų | 125 | 25% | 0.25 | 71% | 0.709 | C | S | . | * | | | trans | -161.5 | 147 | 176.4 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | G564 Y568 P904 G905 | G564-C566 PolarHBondContact O-N 3.34Å; G564-C566 PolarHBondContact O-SG 3Å; C566-Y568 PolarHBondContact O-N 2.81Å; C566-P904 HydrophobicContact CB-CB 3.96Å; C566-G905 PolarHBondContact SG-O 3.39Å |
| 567 | D | 49.6 | Very low | 55.2 | Low | 130 Ų | 130 | 128.8 Ų | 128.8 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -79.5 | -8.2 | -165.9 | -59.9 | -72.6 | 0 | 0 | 0 | 116.6 | | |
| 568 | Y | 48.1 | Very low | 55.1 | Low | 183 Ų | 183 | 128.9 Ų | 128.9 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -144.4 | 91.1 | 175.3 | -62.8 | -90.2 | 0 | 0 | 0 | 113 | C566 P904 | C566-Y568 PolarHBondContact O-N 2.81Å; Y568-P904 HydrophobicContact CD2-CB 4.43Å; Y568-P904 HydrophobicContact CD2-CG 4.24Å; Y568-P904 HydrophobicContact CG-CG 4.47Å |
| 569 | C | 49.9 | Very low | 54.9 | Low | 91 Ų | 91 | 130.6 Ų | 130.6 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | | | trans | -148 | 160.1 | 150.1 | -101 | 0 | 0 | 0 | 0 | 109.6 | | |
| 570 | R | 52.7 | Low | 55.1 | Low | 239 Ų | 239 | 130.3 Ų | 130.3 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 150.6 | -178.9 | -89.7 | -179 | 168.2 | 173.8 | -4.5 | 111.6 | G572 | R570-G572 PolarHBondContact O-N 3.28Š|
| 571 | P | 55 | Low | 55.2 | Low | 122 Ų | 122 | 129.2 Ų | 129.2 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -56 | 133.2 | 169.4 | -22.5 | 33.4 | 0 | 0 | 0 | 111 | | |
| 572 | G | 53.2 | Low | 55.5 | Low | 75 Ų | 75 | 131.7 Ų | 131.7 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 146.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R570 | R570-G572 PolarHBondContact O-N 3.28Š|
| 573 | E | 55.4 | Low | 55.7 | Low | 193 Ų | 193 | 127.8 Ų | 127.8 | 90% | 0.902 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 152 | -178.9 | -61.9 | -168.9 | 132 | 0 | 0 | 111.4 | G575 | E573-G575 PolarHBondContact O-N 3.28Š|
| 574 | K | 59.3 | Low | 55.8 | Low | 201 Ų | 201 | 127.5 Ų | 127.5 | 87% | 0.874 | 68% | 0.678 | S | S | * | * | | | trans | -68.2 | 101.7 | -176.9 | -178.8 | -175.1 | 176.8 | -177.1 | 0 | 109.3 | E576 | K574-E576 PolarHBondContact O-N 3.06Š|
| 575 | G | 58 | Low | 56.2 | Low | 45 Ų | 45 | 130.1 Ų | 130.1 | 46% | 0.464 | 70% | 0.696 | S | S | . | * | | | trans | -45.5 | 136.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E573 | E573-G575 PolarHBondContact O-N 3.28Š|
| 576 | E | 59.9 | Low | 56.6 | Low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 69% | 0.689 | S | S | * | * | | | trans | -57.4 | 141.9 | -169.9 | -63.6 | -169 | 123.6 | 0 | 0 | 111.4 | K574 G578 | K574-E576 PolarHBondContact O-N 3.06Å; E576-G578 PolarHBondContact O-N 3.18Å |
| 577 | K | 58.5 | Low | 56.3 | Low | 206 Ų | 206 | 130.8 Ų | 130.8 | 90% | 0.896 | 71% | 0.708 | S | S | * | * | | | trans | -67.5 | 103.8 | 178.1 | -177.9 | -175.8 | 176.3 | -176.4 | 0 | 107.6 | E579 | K577-E579 PolarHBondContact O-N 2.9Š|
| 578 | G | 59.1 | Low | 56.3 | Low | 36 Ų | 36 | 130.6 Ų | 130.6 | 37% | 0.371 | 71% | 0.714 | S | S | . | * | | | trans | -43.3 | 137.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | E576 R580 | E576-G578 PolarHBondContact O-N 3.18Å; G578-R580 PolarHBondContact O-N 3.36Å |
| 579 | E | 60.3 | Low | 56.4 | Low | 160 Ų | 160 | 129.6 Ų | 129.6 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | | | trans | -51.9 | 140.4 | -166.8 | -62.9 | -169.9 | 141.1 | 0 | 0 | 111.5 | K577 G581 | K577-E579 PolarHBondContact O-N 2.9Å; E579-G581 PolarHBondContact O-N 3.41Å |
| 580 | R | 60.8 | Low | 56.4 | Low | 190 Ų | 190 | 127.5 Ų | 127.5 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | | | trans | -63.6 | 105.3 | 171.4 | -176.5 | -153.3 | -74.3 | -130.8 | 2.2 | 106.9 | G578 Y582 D583 | G578-R580 PolarHBondContact O-N 3.36Å; R580-Y582 PolarHBondContact O-N 2.92Å; R580-D583 WeakPolarHBondContact CD-OD1 3.03Å; R580-D583 IonicContact CZ-OD1 3.01Å; R580-D583 IonicContact CZ-OD2 2.98Å; R580-D583 IonicContact NH1-OD1 2.59Å; R580-D583 PolarHBondContact NH1-OD1 3.49Å; R580-D583 IonicContact NH1-OD2 3.99Å; R580-D583 PolarHBondContact NH1-OD2 3.02Å |
| 581 | G | 60.8 | Low | 55.7 | Low | 29 Ų | 29 | 125 Ų | 125 | 30% | 0.299 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -48.8 | 129.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | E579 D583 | E579-G581 PolarHBondContact O-N 3.41Å; G581-D583 PolarHBondContact O-N 2.7Å |
| 582 | Y | 62.7 | Low | 55.2 | Low | 208 Ų | 208 | 126.2 Ų | 126.2 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 128.1 | -167.1 | -72.7 | -92.8 | 0 | 0 | 0 | 111.5 | R580 G584 | R580-Y582 PolarHBondContact O-N 2.92Å; Y582-G584 PolarHBondContact O-N 2.92Å; Y582-G584 VanDerWaalsContact O-N 3.08Å |
| 583 | D | 60.4 | Low | 54.6 | Low | 116 Ų | 116 | 125.9 Ų | 125.9 | 62% | 0.62 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -54 | 119.4 | 175.7 | -64.5 | -40.2 | 0 | 0 | 0 | 107.6 | R580 G581 A585 | R580-D583 WeakPolarHBondContact CD-OD1 3.03Å; R580-D583 IonicContact CZ-OD1 3.01Å; R580-D583 IonicContact CZ-OD2 2.98Å; R580-D583 IonicContact NH1-OD1 2.59Å; R580-D583 PolarHBondContact NH1-OD1 3.49Å; R580-D583 IonicContact NH1-OD2 3.99Å; R580-D583 PolarHBondContact NH1-OD2 3.02Å; G581-D583 PolarHBondContact O-N 2.7Å; D583-A585 PolarHBondContact O-N 2.8Å |
| 584 | G | 54.6 | Low | 54 | Low | 53 Ų | 53 | 124.2 Ų | 124.2 | 55% | 0.546 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 133.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y582 P586 | Y582-G584 PolarHBondContact O-N 2.92Å; Y582-G584 VanDerWaalsContact O-N 3.08Å; G584-P586 VanDerWaalsContact O-N 3.14Å |
| 585 | A | 54.9 | Low | 53.8 | Low | 97 Ų | 97 | 119 Ų | 119 | 80% | 0.802 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 121.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | D583 G587 | D583-A585 PolarHBondContact O-N 2.8Å; A585-G587 PolarHBondContact O-N 2.72Å |
| 586 | P | 57.5 | Low | 53 | Low | 123 Ų | 123 | 120.6 Ų | 120.6 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 125.9 | -176.8 | -28.2 | 35.1 | 0 | 0 | 0 | 110.7 | G584 | G584-P586 VanDerWaalsContact O-N 3.14Š|
| 587 | G | 51.1 | Low | 52.2 | Low | 63 Ų | 63 | 119.9 Ų | 119.9 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -52 | 136.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | A585 Q589 | A585-G587 PolarHBondContact O-N 2.72Å; G587-Q589 PolarHBondContact O-N 3.3Å |
| 588 | P | 50.8 | Low | 51.5 | Low | 126 Ų | 126 | 118.7 Ų | 118.7 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 127.3 | -167.9 | 20.9 | -33.2 | 0 | 0 | 0 | 110.4 | G590 | P588-G590 PolarHBondContact O-N 3.03Š|
| 589 | Q | 50.2 | Low | 50.7 | Low | 163 Ų | 163 | 120.2 Ų | 120.2 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | | | trans | -51.8 | 113.4 | -179.6 | 179.1 | 177.7 | -21.1 | 0 | 0 | 108.8 | G587 Q591 | G587-Q589 PolarHBondContact O-N 3.3Å; Q589-Q591 PolarHBondContact O-N 2.99Å |
| 590 | G | 49.6 | Very low | 49.9 | Very low | 47 Ų | 47 | 119.3 Ų | 119.3 | 49% | 0.485 | 72% | 0.723 | S | S | . | * | | | trans | -52.3 | 131.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P588 Q592 | P588-G590 PolarHBondContact O-N 3.03Å; G590-Q592 PolarHBondContact O-N 2.85Å |
| 591 | Q | 38 | Very low | 49 | Very low | 187 Ų | 187 | 115.5 Ų | 115.5 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | | | trans | -50.1 | 108.6 | -167.1 | -72 | -175.5 | -2.4 | 0 | 0 | 111 | Q589 G593 | Q589-Q591 PolarHBondContact O-N 2.99Å; Q591-G593 PolarHBondContact O-N 3.09Å |
| 592 | Q | 43.4 | Very low | 48 | Very low | 147 Ų | 147 | 117.4 Ų | 117.4 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | | | trans | -62 | 112.2 | 162.8 | -176 | 172 | 1.1 | 0 | 0 | 105.6 | G590 L594 | G590-Q592 PolarHBondContact O-N 2.85Å; Q592-L594 PolarHBondContact O-N 2.94Å; Q592-L594 VanDerWaalsContact O-N 3.15Å |
| 593 | G | 42.1 | Very low | 47 | Very low | 67 Ų | 67 | 113.3 Ų | 113.3 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | | | trans | -48 | 123.2 | -171 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q591 P595 | Q591-G593 PolarHBondContact O-N 3.09Å; G593-P595 WeakPolarHBondContact O-CD 3.39Å |
| 594 | L | 41.9 | Very low | 46 | Very low | 158 Ų | 158 | 116.7 Ų | 116.7 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | | | trans | -43.9 | 112.3 | -164.1 | -82.1 | 165.6 | 0 | 0 | 0 | 111.2 | Q592 G596 | Q592-L594 PolarHBondContact O-N 2.94Å; Q592-L594 VanDerWaalsContact O-N 3.15Å; L594-G596 PolarHBondContact O-N 3.27Å |
| 595 | P | 55.9 | Low | 45.5 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 59% | 0.591 | 77% | 0.77 | S | S | * | * | | | trans | -57 | 130.2 | 176.6 | -25.4 | 34.9 | 0 | 0 | 0 | 109.5 | G593 I597 | G593-P595 WeakPolarHBondContact O-CD 3.39Å; P595-I597 PolarHBondContact O-N 3.31Å |
| 596 | G | 39.7 | Very low | 44.9 | Very low | 79 Ų | 79 | 119.6 Ų | 119.6 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | | | trans | -57.5 | 110.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L594 | L594-G596 PolarHBondContact O-N 3.27Š|
| 597 | I | 44 | Very low | 44.2 | Very low | 172 Ų | 172 | 120.1 Ų | 120.1 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | | | trans | -77.8 | 132.4 | 174.7 | -43 | 179.5 | 0 | 0 | 0 | 107.7 | P595 | P595-I597 PolarHBondContact O-N 3.31Š|
| 598 | M | 43.7 | Very low | 44 | Very low | 180 Ų | 180 | 117.7 Ų | 117.7 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | | | trans | -115.2 | 131.9 | -153.8 | -179.5 | 178.7 | 65.8 | 0 | 0 | 114.1 | | |
| 599 | G | 42.4 | Very low | 43.5 | Very low | 68 Ų | 68 | 116.4 Ų | 116.4 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | trans | 88.1 | 169.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 600 | P | 43.3 | Very low | 43.7 | Very low | 141 Ų | 141 | 113.4 Ų | 113.4 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | | | cis | -98.5 | -175.2 | 7.3 | 39.1 | -34.7 | 0 | 0 | 0 | 114.3 | | |
| 601 | A | 41.7 | Very low | 43.6 | Very low | 111 Ų | 111 | 112.6 Ų | 112.6 | 92% | 0.917 | 71% | 0.711 | S | S | * | * | | | trans | -133 | 161.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 602 | G | 41 | Very low | 44.3 | Very low | 68 Ų | 68 | 109.3 Ų | 109.3 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | | | trans | -177 | 155.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 603 | P | 40.3 | Very low | 44.6 | Very low | 123 Ų | 123 | 107.6 Ų | 107.6 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | | | | -117 | 160.6 | -97.9 | 38.4 | -36.2 | 0 | 0 | 0 | 116.3 | | |
| 604 | Q | 39.9 | Very low | 44.8 | Very low | 186 Ų | 186 | 108.1 Ų | 108.1 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | | | trans | 27.2 | 125.6 | 142.8 | -174.3 | -179.5 | -2.9 | 0 | 0 | 118.3 | | |
| 605 | G | 44.2 | Very low | 45.1 | Very low | 67 Ų | 67 | 110.3 Ų | 110.3 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | | | cis | -177.6 | -169.3 | 16.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 606 | D | 42.2 | Very low | 44.4 | Very low | 144 Ų | 144 | 112.6 Ų | 112.6 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | | | cis | -128.8 | 119.1 | 10.1 | -66.7 | -45.2 | 0 | 0 | 0 | 111.7 | | |
| 607 | D | 42.3 | Very low | 44.7 | Very low | 135 Ų | 135 | 112.2 Ų | 112.2 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | | | trans | -89.7 | 160.4 | 157.2 | -91.8 | 15.4 | 0 | 0 | 0 | 109.2 | A713 | D607-A713 CarbonylContact C-O 3.44Å; D607-A713 VanDerWaalsContact CA-O 3.28Å; D607-A713 WeakPolarHBondContact CA-O 3.32Å; D607-A713 HydrophobicContact CB-CB 3.99Å; D607-A713 WeakPolarHBondContact CB-O 3.45Å |
| 608 | G | 48.4 | Very low | 44.5 | Very low | 12 Ų | 12 | 110.8 Ų | 110.8 | 12% | 0.124 | 71% | 0.709 | C | S | . | * | | | trans | -145.6 | -158.5 | -173 | 0 | 0 | 0 | 0 | 0 | 117.2 | P610 A713 G714 | G608-P610 WeakPolarHBondContact O-CD 3.49Å; G608-A713 PolarHBondContact N-O 2.87Å; G608-A713 CarbonylContact O-C 3.6Å; G608-A713 VanDerWaalsContact O-C 3.25Å; G608-A713 VanDerWaalsContact O-CA 3.28Å; G608-A713 WeakPolarHBondContact O-CA 3.22Å; G608-A713 WeakPolarHBondContact O-CB 3.13Å; G608-G714 VanDerWaalsContact C-C 3.49Å; G608-G714 CarbonylContact C-O 3.55Å; G608-G714 PolarHBondContact O-N 3.12Å |
| 609 | L | 39.3 | Very low | 44.7 | Very low | 98 Ų | 98 | 109.7 Ų | 109.7 | 51% | 0.513 | 71% | 0.712 | S | S | . | * | | | trans | -51.4 | 114.7 | -163.7 | -71 | 165.1 | 0 | 0 | 0 | 115.2 | G714 F715 | L609-G714 PolarHBondContact N-O 3.34Å; L609-F715 HydrophobicContact CD1-CD1 3.63Å; L609-F715 HydrophobicContact CD1-CE1 4.2Å; L609-F715 HydrophobicContact CG-CD1 3.63Å; L609-F715 HydrophobicContact CG-CE1 3.95Å; L609-F715 HydrophobicContact CG-CG 4.37Å |
| 610 | P | 53.7 | Low | 44.7 | Very low | 100 Ų | 100 | 109.6 Ų | 109.6 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 155.8 | -176.2 | 34.1 | -36.3 | 0 | 0 | 0 | 114.2 | G608 | G608-P610 WeakPolarHBondContact O-CD 3.49Š|
| 611 | G | 47.7 | Very low | 44.7 | Very low | 30 Ų | 30 | 108.8 Ų | 108.8 | 31% | 0.309 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -92.8 | 129.8 | 164 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 612 | P | 53.2 | Low | 45.2 | Very low | 119 Ų | 119 | 109.4 Ų | 109.4 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 136.3 | -169.2 | 31.7 | -35.2 | 0 | 0 | 0 | 114.3 | | |
| 613 | P | 49.6 | Very low | 45.3 | Very low | 110 Ų | 110 | 110 Ų | 110 | 71% | 0.714 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 129.7 | 150.6 | -18 | 32.3 | 0 | 0 | 0 | 110 | R615 | P613-R615 PolarHBondContact O-N 3.2Š|
| 614 | G | 47.7 | Very low | 45.3 | Very low | 79 Ų | 79 | 112 Ų | 112 | 81% | 0.814 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 124.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 615 | R | 47.3 | Very low | 45.4 | Very low | 203 Ų | 203 | 109.1 Ų | 109.1 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 136 | -176 | -72.4 | 173.9 | 160 | -163.4 | -4.3 | 114.7 | P613 E618 | P613-R615 PolarHBondContact O-N 3.2Å; R615-E618 IonicContact CZ-OE1 2.72Å; R615-E618 VanDerWaalsContact CZ-OE1 3.25Å; R615-E618 IonicContact NH1-OE1 2.75Å; R615-E618 PolarHBondContact NH1-OE1 3.46Å; R615-E618 IonicContact NH2-OE1 4Å |
| 616 | T | 41.5 | Very low | 45.3 | Very low | 140 Ų | 140 | 109.6 Ų | 109.6 | 86% | 0.859 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 128.1 | 144 | -41.2 | 0 | 0 | 0 | 0 | 108.4 | E618 | T616-E618 PolarHBondContact O-N 3.38Š|
| 617 | G | 45 | Very low | 45.5 | Very low | 71 Ų | 71 | 114.3 Ų | 114.3 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | | | trans | -71.4 | 95.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 618 | E | 41 | Very low | 45.5 | Very low | 141 Ų | 141 | 112.8 Ų | 112.8 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | | | trans | 26.4 | 117.9 | 150.8 | -68.8 | 171 | -171.7 | 0 | 0 | 119.6 | R615 T616 | R615-E618 IonicContact CZ-OE1 2.72Å; R615-E618 VanDerWaalsContact CZ-OE1 3.25Å; R615-E618 IonicContact NH1-OE1 2.75Å; R615-E618 PolarHBondContact NH1-OE1 3.46Å; R615-E618 IonicContact NH2-OE1 4Å; T616-E618 PolarHBondContact O-N 3.38Å |
| 619 | V | 47.3 | Very low | 45.2 | Very low | 158 Ų | 158 | 115.7 Ų | 115.7 | 96% | 0.958 | 75% | 0.752 | S | S | * | * | | | trans | -105.4 | 121.2 | 154.7 | 174.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 620 | G | 41.3 | Very low | 45.2 | Very low | 65 Ų | 65 | 120.5 Ų | 120.5 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | | | trans | 156 | 164.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 621 | P | 44.3 | Very low | 44.4 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | cis | -100.2 | 166.3 | -4.5 | 38.3 | -32.1 | 0 | 0 | 0 | 113.1 | | |
| 622 | P | 52.9 | Low | 43.9 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 133.5 | 177.4 | 30.5 | -34.7 | 0 | 0 | 0 | 113.4 | | |
| 623 | G | 42.1 | Very low | 43.3 | Very low | 81 Ų | 81 | 129.6 Ų | 129.6 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 139.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 624 | L | 41.6 | Very low | 42.5 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 129.8 | -166.6 | -79 | 155.7 | 0 | 0 | 0 | 115.1 | | |
| 625 | V | 40.9 | Very low | 41.8 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | | | trans | 51.7 | 96.2 | 147.7 | -168.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 626 | G | 43 | Very low | 41.2 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -96 | 127.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 627 | R | 45.7 | Very low | 40.7 | Very low | 243 Ų | 243 | 132.8 Ų | 132.8 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 149.7 | -168.8 | -69.4 | 176.6 | 173 | 173.3 | -3.4 | 115.7 | | |
| 628 | A | 42.6 | Very low | 40.1 | Very low | 103 Ų | 103 | 138 Ų | 138 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 136.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 629 | G | 41.1 | Very low | 39.8 | Very low | 73 Ų | 73 | 142.2 Ų | 142.2 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 160.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 630 | E | 40.7 | Very low | 39.2 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 162.5 | -156.7 | -66.7 | -173.6 | 103.1 | 0 | 0 | 117.3 | G632 | E630-G632 PolarHBondContact O-N 3.02Š|
| 631 | K | 35.7 | Very low | 38.8 | Very low | 189 Ų | 189 | 144 Ų | 144 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | | | trans | -46.8 | 103.1 | -179 | -178.3 | -176.4 | -177.1 | 178.7 | 0 | 114.9 | | |
| 632 | G | 37.9 | Very low | 38.6 | Very low | 75 Ų | 75 | 143 Ų | 143 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 131.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E630 | E630-G632 PolarHBondContact O-N 3.02Š|
| 633 | Q | 40.1 | Very low | 37.8 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 169.8 | 178.4 | -64.7 | -174.1 | -1 | 0 | 0 | 112.2 | | |
| 634 | K | 33.4 | Very low | 37.3 | Very low | 215 Ų | 215 | 150.3 Ų | 150.3 | 94% | 0.935 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 142.8 | 174.7 | -77.1 | -176.4 | 172.5 | -176.9 | 0 | 111.6 | | |
| 635 | G | 33.4 | Very low | 37.5 | Very low | 78 Ų | 78 | 145.5 Ų | 145.5 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | -128.5 | 143.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 636 | E | 33.6 | Very low | 37.9 | Very low | 197 Ų | 197 | 146 Ų | 146 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | | | trans | -95.1 | 168.1 | -171.7 | -63.6 | 179.2 | 117.4 | 0 | 0 | 113.1 | | |
| 637 | S | 30.7 | Very low | 37.9 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | | | trans | -106.4 | 104.3 | 166.1 | 165.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 638 | F | 33.1 | Very low | 38 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | | | trans | -164.9 | 114.8 | 134.6 | -127.8 | -110.3 | 0 | 0 | 0 | 114.5 | | |
| 639 | R | 35.2 | Very low | 37.8 | Very low | 231 Ų | 231 | 139.1 Ų | 139.1 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | 48.3 | 106.5 | 135.6 | -155 | -177.8 | -146.7 | -174.6 | 7.2 | 120.5 | | |
| 640 | G | 34.4 | Very low | 38.6 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | | | trans | -160.8 | 153.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 641 | Q | 33.4 | Very low | 38.9 | Very low | 180 Ų | 180 | 135.1 Ų | 135.1 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | | | trans | -97.1 | 130.9 | 178.6 | -67.8 | 170.4 | -66.3 | 0 | 0 | 111.7 | | |
| 642 | A | 39.1 | Very low | 39.1 | Very low | 104 Ų | 104 | 135 Ų | 135 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -162.9 | 156.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 643 | I | 35.5 | Very low | 39.3 | Very low | 164 Ų | 164 | 141 Ų | 141 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | | | trans | -109.8 | 135 | -174.4 | -63.4 | 157.6 | 0 | 0 | 0 | 110 | | |
| 644 | Q | 33.6 | Very low | 39.4 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | | | trans | 179.6 | 148.5 | 132.4 | -104.2 | 176.5 | 21.8 | 0 | 0 | 115.1 | | |
| 645 | G | 44.4 | Very low | 40.1 | Very low | 64 Ų | 64 | 134.9 Ų | 134.9 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | | | trans | 90.9 | 100.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 646 | P | 48.8 | Very low | 40.6 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | trans | -101.7 | 120.8 | 169.4 | 35.2 | -28.4 | 0 | 0 | 0 | 113.9 | | |
| 647 | P | 44.1 | Very low | 41 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | | | trans | -136.1 | 139.6 | 151.5 | 35.7 | -22.2 | 0 | 0 | 0 | 111.4 | | |
| 648 | G | 47.8 | Very low | 41.8 | Very low | 60 Ų | 60 | 134.6 Ų | 134.6 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | | | cis | -178.9 | 170.2 | -2.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 649 | P | 38 | Very low | 42.1 | Very low | 89 Ų | 89 | 132 Ų | 132 | 58% | 0.578 | 81% | 0.807 | S | S | * | * | | | trans | -65.6 | 135 | 180 | 27.2 | -33.4 | 0 | 0 | 0 | 111.4 | G651 | P649-G651 PolarHBondContact O-N 3.26Š|
| 650 | P | 58.4 | Low | 42.5 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | | | trans | -68.3 | 95.7 | 175.2 | -23.7 | 35.7 | 0 | 0 | 0 | 112.7 | | |
| 651 | G | 46.4 | Very low | 42.7 | Very low | 55 Ų | 55 | 128.9 Ų | 128.9 | 57% | 0.567 | 80% | 0.804 | S | S | * | * | | | trans | -67.1 | 154.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113 | P649 | P649-G651 PolarHBondContact O-N 3.26Š|
| 652 | L | 40.7 | Very low | 43.2 | Very low | 186 Ų | 186 | 126.5 Ų | 126.5 | 97% | 0.974 | 80% | 0.804 | S | S | * | * | | | trans | -67.9 | 146.5 | -178.6 | -68.6 | 165.4 | 0 | 0 | 0 | 112.5 | | |
| 653 | K | 42 | Very low | 43.3 | Very low | 203 Ų | 203 | 125.2 Ų | 125.2 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | trans | -120.9 | 121.7 | 163.8 | -171 | 178 | -178.7 | -176.2 | 0 | 110 | | |
| 654 | G | 41.3 | Very low | 43.5 | Very low | 62 Ų | 62 | 127 Ų | 127 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | | | trans | -85.1 | 165.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 655 | E | 47.6 | Very low | 43.9 | Very low | 200 Ų | 200 | 127.8 Ų | 127.8 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | | | trans | -73.6 | 139.4 | 173.4 | -58 | 179.7 | 120.2 | 0 | 0 | 111 | | |
| 656 | P | 45.2 | Very low | 43.8 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | | -142.3 | 162.1 | 114.2 | 36.8 | -23.9 | 0 | 0 | 0 | 113.1 | | |
| 657 | G | 42 | Very low | 43.5 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | cis | -173.3 | 172.4 | -0.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 658 | L | 45.9 | Very low | 43.4 | Very low | 181 Ų | 181 | 132 Ų | 132 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | | | trans | -85.4 | 158.1 | -171.8 | -66.7 | 88 | 0 | 0 | 0 | 114.2 | | |
| 659 | S | 40.7 | Very low | 43.1 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | | | trans | -141.8 | 151.9 | 143 | 55.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 660 | G | 43.9 | Very low | 43.3 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 83% | 0.833 | S | S | * | * | | | trans | -166.5 | 173.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 661 | L | 37.9 | Very low | 42.9 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | | | trans | -150.6 | 165.9 | -176.1 | -65.5 | 174.5 | 0 | 0 | 0 | 109.3 | | |
| 662 | P | 44.5 | Very low | 42.8 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 84% | 0.844 | 84% | 0.84 | S | S | * | * | | | | -118.6 | 166.6 | -65.3 | 32.1 | -16.2 | 0 | 0 | 0 | 110.8 | | |
| 663 | G | 40.9 | Very low | 42.8 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | | | trans | -113.3 | 169 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 664 | E | 40.2 | Very low | 43.3 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 94% | 0.944 | 84% | 0.836 | S | S | * | * | | | trans | -106 | 162.1 | 163.6 | -71 | -153.5 | 109.3 | 0 | 0 | 112.2 | | |
| 665 | K | 41.2 | Very low | 43.3 | Very low | 210 Ų | 210 | 134.9 Ų | 134.9 | 91% | 0.913 | 84% | 0.842 | S | S | * | * | | | trans | -85.3 | 155.1 | 177.6 | -58.3 | 159.2 | -174.9 | 169 | 0 | 108.8 | | |
| 666 | G | 41.5 | Very low | 42.8 | Very low | 59 Ų | 59 | 133.5 Ų | 133.5 | 61% | 0.608 | 84% | 0.84 | S | S | * | * | | | cis | 115 | 131.1 | 8.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 667 | Y | 43.7 | Very low | 43.1 | Very low | 250 Ų | 250 | 133.8 Ų | 133.8 | 98% | 0.98 | 84% | 0.843 | S | S | * | * | | | trans | -150.5 | 156.4 | 160 | -85.5 | -66.3 | 0 | 0 | 0 | 109.4 | | |
| 668 | A | 41.7 | Very low | 43.2 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 90% | 0.901 | 84% | 0.843 | S | S | * | * | | | trans | -146.5 | 159 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 669 | G | 42.1 | Very low | 43 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 84% | 0.84 | S | S | * | * | | | trans | 137.9 | 136.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 670 | L | 42.1 | Very low | 43.1 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 92% | 0.916 | 84% | 0.84 | S | S | * | * | | | cis | -144 | 149.9 | 0.6 | -83.5 | 163.3 | 0 | 0 | 0 | 110.4 | | |
| 671 | P | 49.9 | Very low | 43.3 | Very low | 130 Ų | 130 | 131 Ų | 131 | 84% | 0.844 | 84% | 0.843 | S | S | * | * | | | trans | -104 | 155.5 | 176.9 | 38.4 | -33.2 | 0 | 0 | 0 | 114.5 | | |
| 672 | G | 43.1 | Very low | 43.4 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 74% | 0.742 | 84% | 0.844 | S | S | * | * | | | trans | 145.9 | 149.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 673 | Q | 41.4 | Very low | 43.2 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 89% | 0.893 | 85% | 0.848 | S | S | * | * | | | cis | -144.1 | 152.6 | -15.1 | -76.2 | -174.7 | -16.9 | 0 | 0 | 108.3 | | |
| 674 | P | 51.5 | Low | 43.4 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 89% | 0.89 | 84% | 0.841 | S | S | * | * | | | trans | -82.4 | 141.2 | -175.8 | 32 | -34.5 | 0 | 0 | 0 | 113.9 | | |
| 675 | G | 42.8 | Very low | 43.5 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 84% | 0.84 | S | S | * | * | | | trans | -124.3 | 107.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 676 | L | 35.7 | Very low | 43.5 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 90% | 0.895 | 84% | 0.84 | S | S | * | * | | | trans | 17.9 | 123.3 | 156 | -58.4 | 173.5 | 0 | 0 | 0 | 120.8 | | |
| 677 | P | 52.5 | Low | 43.8 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 87% | 0.87 | 84% | 0.84 | S | S | * | * | | | trans | -87.1 | 153.5 | 173.3 | 35.3 | -34.9 | 0 | 0 | 0 | 114.8 | | |
| 678 | G | 43.8 | Very low | 43.8 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 84% | 0.837 | S | S | * | * | | | trans | -118.5 | 166.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 679 | P | 42.4 | Very low | 44 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 166 | -156.9 | 36 | -37.5 | 0 | 0 | 0 | 116.5 | | |
| 680 | A | 41.6 | Very low | 44.2 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 88% | 0.876 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 155 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 681 | G | 48 | Very low | 44.4 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 172.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 682 | E | 41.7 | Very low | 44.8 | Very low | 202 Ų | 202 | 134.7 Ų | 134.7 | 94% | 0.944 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 170.3 | -163 | -64.1 | -169.4 | 116.7 | 0 | 0 | 116.8 | G684 | E682-G684 PolarHBondContact O-N 3.03Š|
| 683 | R | 39.1 | Very low | 45 | Very low | 243 Ų | 243 | 134.5 Ų | 134.5 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | | | trans | -71.3 | 104.5 | -174 | -179.2 | -174.4 | -65.1 | 168.9 | 0.5 | 112.6 | | |
| 684 | G | 46.1 | Very low | 45.4 | Very low | 63 Ų | 63 | 133.2 Ų | 133.2 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | | | trans | -62.6 | 153.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113 | E682 | E682-G684 PolarHBondContact O-N 3.03Š|
| 685 | L | 42.1 | Very low | 45.5 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | | | trans | -65.5 | 151.4 | 178.9 | -73.3 | 165.8 | 0 | 0 | 0 | 112.1 | G687 | L685-G687 PolarHBondContact O-N 3.33Š|
| 686 | K | 41 | Very low | 45.8 | Very low | 208 Ų | 208 | 131.9 Ų | 131.9 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | | | trans | -64.5 | 100.5 | 178.6 | -178.6 | -173.9 | 177 | -173.9 | 0 | 110.4 | | |
| 687 | G | 46.7 | Very low | 46.6 | Very low | 59 Ų | 59 | 134.4 Ų | 134.4 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | | | trans | -60 | 151.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L685 | L685-G687 PolarHBondContact O-N 3.33Š|
| 688 | E | 44.6 | Very low | 46.9 | Very low | 196 Ų | 196 | 133.9 Ų | 133.9 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | trans | -63.8 | 147.3 | 176.6 | -62.3 | -174.1 | 138.1 | 0 | 0 | 111 | G690 | E688-G690 PolarHBondContact O-N 3.47Š|
| 689 | M | 45.2 | Very low | 47.4 | Very low | 180 Ų | 180 | 132.8 Ų | 132.8 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | trans | -70 | 104.6 | -176.8 | -179.7 | 164.2 | 57.7 | 0 | 0 | 109.8 | | |
| 690 | G | 47.1 | Very low | 48 | Very low | 62 Ų | 62 | 132.3 Ų | 132.3 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53 | 139.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | E688 | E688-G690 PolarHBondContact O-N 3.47Š|
| 691 | I | 46.8 | Very low | 48.9 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53 | 126.9 | -178.4 | -57.3 | 172.3 | 0 | 0 | 0 | 108.8 | G693 | I691-G693 PolarHBondContact O-N 2.67Å; I691-G693 VanDerWaalsContact O-N 3.16Å |
| 692 | P | 58.3 | Low | 49.2 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 124.2 | 177.2 | -28.3 | 35.6 | 0 | 0 | 0 | 111 | I694 | P692-I694 PolarHBondContact O-N 2.94Š|
| 693 | G | 46.7 | Very low | 50 | Low | 68 Ų | 68 | 126.5 Ų | 126.5 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 127.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110 | I691 P695 | I691-G693 PolarHBondContact O-N 2.67Å; I691-G693 VanDerWaalsContact O-N 3.16Å; G693-P695 WeakPolarHBondContact O-CD 3.38Å; G693-P695 VanDerWaalsContact O-N 3.15Å |
| 694 | I | 49.1 | Very low | 51.1 | Low | 163 Ų | 163 | 120.8 Ų | 120.8 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 123.1 | 178.3 | -57.5 | 173.4 | 0 | 0 | 0 | 107.5 | P692 G696 | P692-I694 PolarHBondContact O-N 2.94Å; I694-G696 PolarHBondContact O-N 3.14Å; I694-G696 VanDerWaalsContact O-N 3.17Å |
| 695 | P | 54.7 | Low | 51.5 | Low | 115 Ų | 115 | 119.7 Ų | 119.7 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 126.3 | 179 | -28.5 | 35.7 | 0 | 0 | 0 | 110.3 | G693 R697 | G693-P695 WeakPolarHBondContact O-CD 3.38Å; G693-P695 VanDerWaalsContact O-N 3.15Å; P695-R697 PolarHBondContact O-N 2.89Å |
| 696 | G | 49.5 | Very low | 52.3 | Low | 69 Ų | 69 | 120.4 Ų | 120.4 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 133.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I694 | I694-G696 PolarHBondContact O-N 3.14Å; I694-G696 VanDerWaalsContact O-N 3.17Å |
| 697 | R | 52.5 | Low | 53.3 | Low | 223 Ų | 223 | 116.3 Ų | 116.3 | 84% | 0.842 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 130.8 | 171.8 | -83.9 | 180 | 156.5 | -122.7 | -14.5 | 108.1 | P695 G699 | P695-R697 PolarHBondContact O-N 2.89Å; R697-G699 PolarHBondContact O-N 3.23Å |
| 698 | P | 57.4 | Low | 53.8 | Low | 123 Ų | 123 | 115.9 Ų | 115.9 | 80% | 0.799 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 140.7 | 165.5 | -26.2 | 34.9 | 0 | 0 | 0 | 109.5 | | |
| 699 | G | 54.7 | Low | 54.4 | Low | 48 Ų | 48 | 115.7 Ų | 115.7 | 50% | 0.495 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 152.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | R697 D701 | R697-G699 PolarHBondContact O-N 3.23Å; G699-D701 PolarHBondContact O-N 2.92Å |
| 700 | K | 54.3 | Low | 54.9 | Low | 125 Ų | 125 | 115.6 Ų | 115.6 | 54% | 0.543 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 126 | 165.7 | -65.6 | 171.5 | 178.7 | 173.8 | 0 | 106.6 | G702 A1142 A1143 | K700-G702 PolarHBondContact O-N 3.47Å; K700-A1142 PolarHBondContact NZ-O 3.28Å; K700-A1143 PolarHBondContact NZ-O 3.22Å |
| 701 | D | 61.3 | Low | 55.3 | Low | 158 Ų | 158 | 114.6 Ų | 114.6 | 85% | 0.845 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 133.2 | 172.3 | -64.8 | -55.5 | 0 | 0 | 0 | 109.1 | G699 A703 | G699-D701 PolarHBondContact O-N 2.92Å; D701-A703 PolarHBondContact O-N 3.14Å |
| 702 | G | 55.2 | Low | 55.6 | Low | 37 Ų | 37 | 115.6 Ų | 115.6 | 38% | 0.381 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 138 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110 | K700 | K700-G702 PolarHBondContact O-N 3.47Š|
| 703 | A | 57.8 | Low | 54.9 | Low | 68 Ų | 68 | 112.2 Ų | 112.2 | 56% | 0.562 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 127.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | D701 G705 | D701-A703 PolarHBondContact O-N 3.14Å; A703-G705 PolarHBondContact O-N 3.21Å |
| 704 | P | 62.4 | Low | 55.1 | Low | 123 Ų | 123 | 110.9 Ų | 110.9 | 80% | 0.799 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 129.4 | -179.1 | 24.2 | -32.9 | 0 | 0 | 0 | 109.2 | F706 | P704-F706 PolarHBondContact O-N 3.33Š|
| 705 | G | 55.3 | Low | 55 | Low | 39 Ų | 39 | 110.9 Ų | 110.9 | 40% | 0.402 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 138.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A703 | A703-G705 PolarHBondContact O-N 3.21Š|
| 706 | F | 58.9 | Low | 54.8 | Low | 194 Ų | 194 | 107.3 Ų | 107.3 | 85% | 0.851 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 129.2 | 177.2 | -74.4 | -83 | 0 | 0 | 0 | 110.1 | P704 G708 | P704-F706 PolarHBondContact O-N 3.33Å; F706-G708 PolarHBondContact O-N 3.25Å |
| 707 | P | 61.5 | Low | 54.6 | Low | 122 Ų | 122 | 111.4 Ų | 111.4 | 79% | 0.792 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 127.6 | 170.9 | -24.1 | 34 | 0 | 0 | 0 | 109.6 | Q709 | P707-Q709 PolarHBondContact O-N 2.73Š|
| 708 | G | 57.7 | Low | 54.7 | Low | 49 Ų | 49 | 106.3 Ų | 106.3 | 51% | 0.505 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 136.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F706 K710 | F706-G708 PolarHBondContact O-N 3.25Å; G708-K710 PolarHBondContact O-N 3.33Å |
| 709 | Q | 56.4 | Low | 54.6 | Low | 192 Ų | 192 | 103.4 Ų | 103.4 | 90% | 0.897 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 126.5 | 178.5 | -75.1 | -176 | -13.7 | 0 | 0 | 109.5 | P707 G711 | P707-Q709 PolarHBondContact O-N 2.73Å; Q709-G711 PolarHBondContact O-N 3.11Å; Q709-G711 VanDerWaalsContact O-N 3.12Å |
| 710 | K | 55.9 | Low | 54.7 | Low | 178 Ų | 178 | 107 Ų | 107 | 77% | 0.774 | 64% | 0.64 | S | S | * | * | | | trans | -67 | 111.4 | 176.5 | -177.4 | -169.8 | 175.2 | -165.8 | 0 | 108 | G708 E712 | G708-K710 PolarHBondContact O-N 3.33Å; K710-E712 PolarHBondContact O-N 2.81Å |
| 711 | G | 55.1 | Low | 55 | Low | 42 Ų | 42 | 106.9 Ų | 106.9 | 43% | 0.433 | 65% | 0.652 | S | S | . | * | | | trans | -58.2 | 133.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q709 | Q709-G711 PolarHBondContact O-N 3.11Å; Q709-G711 VanDerWaalsContact O-N 3.12Å |
| 712 | E | 53.6 | Low | 54.8 | Low | 183 Ų | 183 | 101.4 Ų | 101.4 | 86% | 0.855 | 63% | 0.633 | S | S | * | * | | | trans | -69.5 | 160.8 | 166.8 | -63.3 | -179.5 | 141.6 | 0 | 0 | 109.6 | K710 G714 | K710-E712 PolarHBondContact O-N 2.81Å; E712-G714 PolarHBondContact O-N 3.46Å |
| 713 | A | 43 | Very low | 55 | Low | 38 Ų | 38 | 107.6 Ų | 107.6 | 31% | 0.314 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -77.6 | 90.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | D607 G608 | D607-A713 CarbonylContact C-O 3.44Å; D607-A713 VanDerWaalsContact CA-O 3.28Å; D607-A713 WeakPolarHBondContact CA-O 3.32Å; D607-A713 HydrophobicContact CB-CB 3.99Å; D607-A713 WeakPolarHBondContact CB-O 3.45Å; G608-A713 PolarHBondContact N-O 2.87Å; G608-A713 CarbonylContact O-C 3.6Å; G608-A713 VanDerWaalsContact O-C 3.25Å; G608-A713 VanDerWaalsContact O-CA 3.28Å; G608-A713 WeakPolarHBondContact O-CA 3.22Å; G608-A713 WeakPolarHBondContact O-CB 3.13Å |
| 714 | G | 50 | Low | 55.3 | Low | 39 Ų | 39 | 110.3 Ų | 110.3 | 40% | 0.402 | 67% | 0.665 | S | S | . | * | | | trans | -141.1 | 145.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G608 L609 E712 G716 | G608-G714 VanDerWaalsContact C-C 3.49Å; G608-G714 CarbonylContact C-O 3.55Å; G608-G714 PolarHBondContact O-N 3.12Å; L609-G714 PolarHBondContact N-O 3.34Å; E712-G714 PolarHBondContact O-N 3.46Å; G714-G716 PolarHBondContact O-N 3.02Å |
| 715 | F | 48.1 | Very low | 55.1 | Low | 163 Ų | 163 | 106.4 Ų | 106.4 | 72% | 0.715 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -67.5 | 90.4 | -170 | -91.9 | -86.7 | 0 | 0 | 0 | 114.1 | L609 | L609-F715 HydrophobicContact CD1-CD1 3.63Å; L609-F715 HydrophobicContact CD1-CE1 4.2Å; L609-F715 HydrophobicContact CG-CD1 3.63Å; L609-F715 HydrophobicContact CG-CE1 3.95Å; L609-F715 HydrophobicContact CG-CG 4.37Å |
| 716 | G | 49.9 | Very low | 55.5 | Low | 41 Ų | 41 | 108.5 Ų | 108.5 | 42% | 0.423 | 66% | 0.657 | S | S | . | * | S | Bend | | 125.8 | 38.2 | 120.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | G714 | G714-G716 PolarHBondContact O-N 3.02Š|
| 717 | I | 45.6 | Very low | 55.7 | Low | 155 Ų | 155 | 108.9 Ų | 108.9 | 80% | 0.795 | 66% | 0.658 | S | S | * | * | | | trans | -134.6 | 129.8 | 163.8 | -51.5 | 179.3 | 0 | 0 | 0 | 110.3 | G719 | I717-G719 PolarHBondContact O-N 3.36Š|
| 718 | P | 55.4 | Low | 55.5 | Low | 115 Ų | 115 | 104.8 Ų | 104.8 | 75% | 0.747 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129.6 | 172.2 | -22 | 33.6 | 0 | 0 | 0 | 111.8 | T720 | P718-T720 PolarHBondContact O-N 3.27Š|
| 719 | G | 54.1 | Low | 55.6 | Low | 62 Ų | 62 | 106.5 Ų | 106.5 | 64% | 0.639 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 133.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I717 | I717-G719 PolarHBondContact O-N 3.36Š|
| 720 | T | 56.5 | Low | 55.8 | Low | 124 Ų | 124 | 102.1 Ų | 102.1 | 76% | 0.761 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136.5 | -178 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | P718 G722 | P718-T720 PolarHBondContact O-N 3.27Å; T720-G722 PolarHBondContact O-N 3.03Å |
| 721 | P | 60.9 | Low | 55.7 | Low | 123 Ų | 123 | 96.8 Ų | 96.8 | 80% | 0.799 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 131.4 | 173.9 | -26.2 | 34.6 | 0 | 0 | 0 | 111.6 | M723 | P721-M723 PolarHBondContact O-N 3.17Š|
| 722 | G | 57.9 | Low | 55.4 | Low | 43 Ų | 43 | 104.7 Ų | 104.7 | 44% | 0.443 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 135.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | T720 | T720-G722 PolarHBondContact O-N 3.03Š|
| 723 | M | 58.2 | Low | 55.7 | Low | 166 Ų | 166 | 101.6 Ų | 101.6 | 82% | 0.818 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 132.6 | -177.2 | -62.5 | -175.1 | 79.6 | 0 | 0 | 110 | P721 G725 | P721-M723 PolarHBondContact O-N 3.17Å; M723-G725 PolarHBondContact O-N 3.39Å |
| 724 | P | 65.7 | Low | 55.9 | Low | 125 Ų | 125 | 103 Ų | 103 | 81% | 0.812 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 131.2 | 175.3 | -26.3 | 34.7 | 0 | 0 | 0 | 110.7 | S726 | P724-S726 PolarHBondContact O-N 3.28Š|
| 725 | G | 57.9 | Low | 55.6 | Low | 42 Ų | 42 | 109.2 Ų | 109.2 | 43% | 0.433 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 138 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | M723 K727 | M723-G725 PolarHBondContact O-N 3.39Å; G725-K727 PolarHBondContact O-N 3.29Å; G725-K727 VanDerWaalsContact O-N 3.08Å |
| 726 | S | 63.1 | Low | 55.9 | Low | 83 Ų | 83 | 107 Ų | 107 | 58% | 0.58 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 117.3 | -177.5 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | P724 G728 | P724-S726 PolarHBondContact O-N 3.28Å; S726-G728 PolarHBondContact O-N 3.06Å; S726-G728 VanDerWaalsContact O-N 3.09Å |
| 727 | K | 63.7 | Low | 55.8 | Low | 202 Ų | 202 | 108.5 Ų | 108.5 | 88% | 0.878 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 118.5 | 174.1 | -178.6 | -179.2 | 178.8 | -178.4 | 0 | 108.2 | G725 | G725-K727 PolarHBondContact O-N 3.29Å; G725-K727 VanDerWaalsContact O-N 3.08Å |
| 728 | G | 57.9 | Low | 55.7 | Low | 36 Ų | 36 | 108 Ų | 108 | 37% | 0.371 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 147.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S726 A730 | S726-G728 PolarHBondContact O-N 3.06Å; S726-G728 VanDerWaalsContact O-N 3.09Å; G728-A730 PolarHBondContact O-N 3.27Å |
| 729 | D | 58.1 | Low | 55.3 | Low | 85 Ų | 85 | 110.5 Ų | 110.5 | 46% | 0.455 | 71% | 0.71 | S | S | . | * | | | trans | -45.8 | 126.8 | -177.4 | -67.1 | -44.9 | 0 | 0 | 0 | 111.2 | G731 | D729-G731 PolarHBondContact O-N 2.85Å; D729-G731 VanDerWaalsContact O-N 3.15Å |
| 730 | A | 61.7 | Low | 55.1 | Low | 99 Ų | 99 | 110 Ų | 110 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | | | trans | -60.8 | 121.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | G728 F732 | G728-A730 PolarHBondContact O-N 3.27Å; A730-F732 PolarHBondContact O-N 3.12Å |
| 731 | G | 54.3 | Low | 54.7 | Low | 67 Ų | 67 | 109.9 Ų | 109.9 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | | | trans | -53.8 | 135.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | D729 | D729-G731 PolarHBondContact O-N 2.85Å; D729-G731 VanDerWaalsContact O-N 3.15Å |
| 732 | F | 47.4 | Very low | 54.3 | Low | 207 Ų | 207 | 109.1 Ų | 109.1 | 91% | 0.908 | 70% | 0.702 | S | S | * | * | | | trans | -45.8 | 126.8 | -179.1 | -76.9 | -87.3 | 0 | 0 | 0 | 110.2 | A730 G734 | A730-F732 PolarHBondContact O-N 3.12Å; F732-G734 PolarHBondContact O-N 3.12Å |
| 733 | P | 60.4 | Low | 53.4 | Low | 119 Ų | 119 | 110.6 Ų | 110.6 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132.4 | 173.2 | 24.9 | -32.9 | 0 | 0 | 0 | 108 | L735 | P733-L735 PolarHBondContact O-N 3.1Š|
| 734 | G | 47.9 | Very low | 52.6 | Low | 67 Ų | 67 | 108.8 Ų | 108.8 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 135.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | F732 P736 | F732-G734 PolarHBondContact O-N 3.12Å; G734-P736 WeakPolarHBondContact O-CD 3.05Å; G734-P736 VanDerWaalsContact O-N 3.14Å |
| 735 | L | 42.8 | Very low | 51.4 | Low | 169 Ų | 169 | 108.9 Ų | 108.9 | 89% | 0.885 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 124.1 | 175.7 | -80.6 | 166.6 | 0 | 0 | 0 | 108.7 | P733 G737 | P733-L735 PolarHBondContact O-N 3.1Å; L735-G737 PolarHBondContact O-N 3.3Å; L735-G737 VanDerWaalsContact O-N 3.14Å |
| 736 | P | 55.4 | Low | 50.3 | Low | 116 Ų | 116 | 110.4 Ų | 110.4 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 126 | 174.5 | -27.3 | 35.1 | 0 | 0 | 0 | 109 | G734 V738 | G734-P736 WeakPolarHBondContact O-CD 3.05Å; G734-P736 VanDerWaalsContact O-N 3.14Å; P736-V738 PolarHBondContact O-N 3.28Å |
| 737 | G | 47 | Very low | 48.9 | Very low | 73 Ų | 73 | 114.3 Ų | 114.3 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 125.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | L735 Q739 | L735-G737 PolarHBondContact O-N 3.3Å; L735-G737 VanDerWaalsContact O-N 3.14Å; G737-Q739 PolarHBondContact O-N 3.49Å |
| 738 | V | 43.2 | Very low | 47.5 | Very low | 145 Ų | 145 | 109.2 Ų | 109.2 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | | | trans | -54 | 114.6 | -177.2 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | P736 G740 | P736-V738 PolarHBondContact O-N 3.28Å; V738-G740 PolarHBondContact O-N 3.44Å |
| 739 | Q | 47.1 | Very low | 46.4 | Very low | 167 Ų | 167 | 113.9 Ų | 113.9 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | | | trans | -62.1 | 111.8 | -178.7 | -173 | 174.7 | 21.3 | 0 | 0 | 107.8 | G737 | G737-Q739 PolarHBondContact O-N 3.49Š|
| 740 | G | 49.7 | Very low | 45.3 | Very low | 52 Ų | 52 | 117.1 Ų | 117.1 | 54% | 0.536 | 77% | 0.774 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 137.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109 | V738 | V738-G740 PolarHBondContact O-N 3.44Š|
| 741 | P | 48.1 | Very low | 44.1 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 130 | -176.3 | 22.2 | -33 | 0 | 0 | 0 | 109.6 | G743 | P741-G743 PolarHBondContact O-N 2.63Š|
| 742 | P | 52.3 | Low | 43.5 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 125.8 | -179.5 | -28.4 | 35.4 | 0 | 0 | 0 | 111.5 | T744 | P742-T744 PolarHBondContact O-N 3.49Å; P742-T744 VanDerWaalsContact O-N 3.09Å |
| 743 | G | 39.2 | Very low | 43.1 | Very low | 75 Ų | 75 | 114.9 Ų | 114.9 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -64 | 111.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P741 P745 | P741-G743 PolarHBondContact O-N 2.63Å; G743-P745 VanDerWaalsContact O-CD 3.3Å; G743-P745 WeakPolarHBondContact O-CD 3.16Å |
| 744 | T | 41.3 | Very low | 42 | Very low | 128 Ų | 128 | 117.3 Ų | 117.3 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 119 | -179.8 | 49.3 | 0 | 0 | 0 | 0 | 110.9 | P742 G746 | P742-T744 PolarHBondContact O-N 3.49Å; P742-T744 VanDerWaalsContact O-N 3.09Å; T744-G746 PolarHBondContact O-N 3Å |
| 745 | P | 41.1 | Very low | 42.2 | Very low | 126 Ų | 126 | 119.8 Ų | 119.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 132.3 | 167.7 | -18.9 | 33.7 | 0 | 0 | 0 | 109.4 | G743 | G743-P745 VanDerWaalsContact O-CD 3.3Å; G743-P745 WeakPolarHBondContact O-CD 3.16Å |
| 746 | G | 34 | Very low | 42 | Very low | 75 Ų | 75 | 114.9 Ų | 114.9 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 161.5 | -157.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | T744 | T744-G746 PolarHBondContact O-N 3Š|
| 747 | L | 35 | Very low | 41.5 | Very low | 164 Ų | 164 | 115.8 Ų | 115.8 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -129.6 | 127.6 | 164.5 | -84 | 169.2 | 0 | 0 | 0 | 110.5 | | |
| 748 | C | 33 | Very low | 41.7 | Very low | 96 Ų | 96 | 118.8 Ų | 118.8 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | trans | 47.3 | 102.4 | 152.4 | -57.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 749 | P | 35.4 | Very low | 41.4 | Very low | 134 Ų | 134 | 115.6 Ų | 115.6 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | | | trans | -78 | 126.5 | 148.9 | 32.5 | -29.9 | 0 | 0 | 0 | 110.3 | | |
| 750 | I | 34.8 | Very low | 40.9 | Very low | 152 Ų | 152 | 112 Ų | 112 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -143.5 | 86.6 | 176 | 35.9 | 171.9 | 0 | 0 | 0 | 113.3 | | |
| 751 | T | 37.2 | Very low | 40.3 | Very low | 150 Ų | 150 | 117.3 Ų | 117.3 | 92% | 0.92 | 80% | 0.803 | S | S | * | * | | | trans | -150.4 | 118.5 | 157.3 | 49.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 752 | G | 40.9 | Very low | 40.2 | Very low | 80 Ų | 80 | 114.8 Ų | 114.8 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | cis | -168.8 | 177.8 | -7.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 753 | A | 39.8 | Very low | 39.7 | Very low | 97 Ų | 97 | 116.1 Ų | 116.1 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | trans | -105.9 | 157.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 754 | L | 36.4 | Very low | 39.9 | Very low | 170 Ų | 170 | 118.5 Ų | 118.5 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | S | Bend | cis | -92.9 | 168.1 | 22.5 | -71.4 | 167.7 | 0 | 0 | 0 | 115.7 | | |
| 755 | P | 52.7 | Low | 40.5 | Very low | 119 Ų | 119 | 115.9 Ų | 115.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | -123.4 | 176.3 | -148.6 | 43.1 | -31.7 | 0 | 0 | 0 | 117.5 | | |
| 756 | G | 39.3 | Very low | 40.3 | Very low | 66 Ų | 66 | 115.7 Ų | 115.7 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | | | trans | -137.1 | 171.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 757 | P | 43.2 | Very low | 40.5 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | | | trans | -86.9 | 167.3 | -148.2 | -14.8 | 32.5 | 0 | 0 | 0 | 118.4 | | |
| 758 | P | 52.9 | Low | 40.7 | Very low | 137 Ų | 137 | 119 Ų | 119 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | trans | -110.6 | 170 | -166.4 | 41.9 | -35.6 | 0 | 0 | 0 | 117 | | |
| 759 | G | 36.6 | Very low | 40.7 | Very low | 77 Ų | 77 | 122.9 Ų | 122.9 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | | | trans | 136.4 | 151.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 760 | A | 37.2 | Very low | 40.6 | Very low | 91 Ų | 91 | 126 Ų | 126 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | | | cis | -161.6 | 151.1 | -14 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 761 | D | 36.9 | Very low | 40.9 | Very low | 165 Ų | 165 | 122 Ų | 122 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | | | trans | 34.8 | 150.7 | 159.1 | -56.7 | -23.8 | 0 | 0 | 0 | 124.6 | | |
| 762 | G | 45.8 | Very low | 41 | Very low | 69 Ų | 69 | 123.4 Ų | 123.4 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | -82 | -159.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 763 | P | 41.7 | Very low | 40.9 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | | | | -148.6 | -135.7 | 75.6 | 41.8 | -18.7 | 0 | 0 | 0 | 114.1 | | |
| 764 | P | 43.7 | Very low | 40.7 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | -116.8 | 168.5 | -132.9 | 28.7 | -4.5 | 0 | 0 | 0 | 116.4 | | |
| 765 | G | 52 | Low | 40.7 | Very low | 72 Ų | 72 | 125.1 Ų | 125.1 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | -116.2 | 167.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 766 | P | 38.6 | Very low | 40.2 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | trans | -138.6 | 144.8 | 162.3 | 37.6 | -22.2 | 0 | 0 | 0 | 116.3 | | |
| 767 | R | 36.8 | Very low | 40.2 | Very low | 242 Ų | 242 | 125.3 Ų | 125.3 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | | | trans | 39.6 | 118.2 | 133.5 | -161.4 | -178.3 | -162.9 | 171.3 | 4.2 | 117.8 | | |
| 768 | G | 39.2 | Very low | 39.8 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | | | cis | 109.2 | 143.1 | 20.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 769 | M | 34.1 | Very low | 38.9 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | | | trans | 178 | 139.4 | 143.9 | -101.1 | 175 | 75 | 0 | 0 | 115.6 | | |
| 770 | K | 33.6 | Very low | 38.9 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | | | trans | 28.9 | 131 | 147.6 | -154.8 | 179.2 | -176.8 | -173.3 | 0 | 121.4 | | |
| 771 | G | 39.6 | Very low | 38.7 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | trans | -100.7 | 175.8 | 168 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 772 | E | 39.2 | Very low | 38.7 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -112.7 | 153.5 | -176.7 | -63.9 | -170.5 | 118.9 | 0 | 0 | 113.6 | | |
| 773 | P | 40.5 | Very low | 38.4 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 164.1 | 175.7 | -14.1 | 30.9 | 0 | 0 | 0 | 114 | | |
| 774 | G | 34.8 | Very low | 38.2 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 145.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 775 | F | 36.1 | Very low | 38.2 | Very low | 192 Ų | 192 | 133.3 Ų | 133.3 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 126.9 | 175.8 | -78.7 | -91.4 | 0 | 0 | 0 | 112.3 | | |
| 776 | P | 41.8 | Very low | 37.8 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 152.4 | 158 | -15.9 | 31.2 | 0 | 0 | 0 | 111 | | |
| 777 | G | 40.3 | Very low | 37.8 | Very low | 80 Ų | 80 | 136 Ų | 136 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 136.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 778 | I | 34.4 | Very low | 37.8 | Very low | 170 Ų | 170 | 133 Ų | 133 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | | | trans | -144 | 162.9 | 173.1 | 36.7 | 172.4 | 0 | 0 | 0 | 110.8 | | |
| 779 | K | 33.5 | Very low | 38.1 | Very low | 211 Ų | 211 | 133.3 Ų | 133.3 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | | | trans | -136.6 | 128.7 | -171.6 | 175.4 | -169.1 | 173.9 | -170.1 | 0 | 110.4 | | |
| 780 | G | 38.1 | Very low | 38.6 | Very low | 69 Ų | 69 | 133.1 Ų | 133.1 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | trans | 87.3 | 156.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 781 | E | 31.6 | Very low | 39.3 | Very low | 146 Ų | 146 | 132 Ų | 132 | 68% | 0.682 | 82% | 0.821 | S | S | * | * | | | cis | -143.3 | -160.7 | -2.9 | -70.4 | -160.3 | 114.2 | 0 | 0 | 111.6 | | |
| 782 | Q | 38.1 | Very low | 39.6 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | | | trans | -73.8 | 159.5 | -169.8 | -61.2 | 170.3 | -90.7 | 0 | 0 | 115.3 | | |
| 783 | G | 39.4 | Very low | 39.7 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | | | trans | 171 | 116.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 784 | A | 36.4 | Very low | 39.6 | Very low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -146.8 | 168.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 785 | P | 44.8 | Very low | 40.1 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | | | cis | -130.6 | -172 | 2.2 | 43.1 | -27.3 | 0 | 0 | 0 | 114.1 | | |
| 786 | G | 42.9 | Very low | 40.1 | Very low | 78 Ų | 78 | 135.4 Ų | 135.4 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | 177.1 | 118.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 787 | L | 38.1 | Very low | 39.9 | Very low | 171 Ų | 171 | 135 Ų | 135 | 90% | 0.895 | 84% | 0.835 | S | S | * | * | | | trans | -154.2 | 127.2 | -170.9 | -171.7 | 154.5 | 0 | 0 | 0 | 111.9 | | |
| 788 | L | 38.3 | Very low | 39.9 | Very low | 179 Ų | 179 | 135 Ų | 135 | 94% | 0.937 | 84% | 0.835 | S | S | * | * | | | trans | -168 | 145.3 | 170.9 | -112.3 | 168.4 | 0 | 0 | 0 | 112.3 | | |
| 789 | G | 45.6 | Very low | 40 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | | | trans | 110.8 | 101.7 | 161 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 790 | L | 44 | Very low | 40.3 | Very low | 174 Ų | 174 | 128 Ų | 128 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | | | trans | -160.6 | 126.6 | 172.9 | -124.5 | 168.2 | 0 | 0 | 0 | 110.9 | | |
| 791 | I | 47.1 | Very low | 40.1 | Very low | 175 Ų | 175 | 128.1 Ų | 128.1 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | | | trans | -147.7 | 139.1 | -178.6 | -66.6 | -175.7 | 0 | 0 | 0 | 111.6 | | |
| 792 | G | 46.5 | Very low | 40.4 | Very low | 69 Ų | 69 | 129.2 Ų | 129.2 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | | | trans | 127.3 | 98.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 793 | M | 41.8 | Very low | 40.4 | Very low | 193 Ų | 193 | 126.2 Ų | 126.2 | 95% | 0.951 | 84% | 0.839 | S | S | * | * | | | trans | -147.8 | 150.4 | 176.2 | -72.2 | -178.9 | 67.8 | 0 | 0 | 113.3 | | |
| 794 | K | 37.8 | Very low | 40.5 | Very low | 212 Ų | 212 | 125.7 Ų | 125.7 | 92% | 0.922 | 83% | 0.833 | S | S | * | * | | | trans | -162.1 | 135 | 158.4 | -171.1 | 175.5 | -178.5 | 178.9 | 0 | 110.3 | | |
| 795 | G | 45.3 | Very low | 40.2 | Very low | 56 Ų | 56 | 128.8 Ų | 128.8 | 58% | 0.577 | 84% | 0.836 | S | S | * | * | | | cis | 153 | 122.8 | -12.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 796 | N | 36.6 | Very low | 39.6 | Very low | 175 Ų | 175 | 128 Ų | 128 | 94% | 0.936 | 83% | 0.83 | S | S | * | * | | | trans | 164.3 | 132.8 | 155.2 | -89.4 | -8.3 | 0 | 0 | 0 | 108.6 | | |
| 797 | A | 37.3 | Very low | 39.2 | Very low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | | | cis | -159.9 | 153.7 | -25.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 798 | G | 40.6 | Very low | 39.1 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | cis | 142.9 | 101.7 | -3.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 799 | A | 36.9 | Very low | 39.3 | Very low | 100 Ų | 100 | 122.8 Ų | 122.8 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | | | trans | -144.6 | 137.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 800 | P | 39.5 | Very low | 38.5 | Very low | 134 Ų | 134 | 122.7 Ų | 122.7 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | | | trans | -100.5 | 167 | -162.7 | 1.8 | 21.7 | 0 | 0 | 0 | 113.8 | | |
| 801 | G | 33.7 | Very low | 37.8 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | | | trans | -83.7 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 802 | L | 37.2 | Very low | 37.4 | Very low | 170 Ų | 170 | 123.4 Ų | 123.4 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | | | trans | -127.7 | 155.9 | 170.8 | -79.5 | 172.6 | 0 | 0 | 0 | 111 | | |
| 803 | P | 39 | Very low | 36.8 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | | | trans | -82.3 | 164.4 | -172.8 | -7.9 | 27.1 | 0 | 0 | 0 | 113.2 | | |
| 804 | G | 41.8 | Very low | 36.5 | Very low | 72 Ų | 72 | 121.5 Ų | 121.5 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | trans | -88.3 | 135.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 805 | L | 28.7 | Very low | 36.5 | Very low | 165 Ų | 165 | 120 Ų | 120 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | 173.8 | 163.1 | 165.5 | -101.7 | 166.9 | 0 | 0 | 0 | 107.7 | | |
| 806 | P | 34 | Very low | 36.4 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | | -101.5 | -175.2 | -57 | 21.5 | -0.9 | 0 | 0 | 0 | 110.6 | | |
| 807 | G | 33.3 | Very low | 36.2 | Very low | 79 Ų | 79 | 117.2 Ų | 117.2 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 137.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 808 | S | 35.6 | Very low | 36.4 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 149 | 166.4 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 809 | P | 42.2 | Very low | 36.5 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 166.6 | -175.1 | -19 | 33.2 | 0 | 0 | 0 | 114.4 | | |
| 810 | G | 29.4 | Very low | 37 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | -92.8 | 177.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 811 | L | 30.4 | Very low | 36.8 | Very low | 179 Ų | 179 | 123.1 Ų | 123.1 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | | | trans | 62 | 91.1 | 160.1 | -62.8 | 174.7 | 0 | 0 | 0 | 119.2 | | |
| 812 | M | 37.7 | Very low | 37 | Very low | 186 Ų | 186 | 123.4 Ų | 123.4 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | | | | -136.7 | 137.9 | 119.4 | -134.1 | 169.6 | 65.6 | 0 | 0 | 105.8 | | |
| 813 | G | 34.8 | Very low | 37.4 | Very low | 56 Ų | 56 | 120 Ų | 120 | 58% | 0.577 | 80% | 0.795 | S | S | * | * | | | cis | 90.9 | 114.3 | 29.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 814 | E | 34.7 | Very low | 37.4 | Very low | 166 Ų | 166 | 120.6 Ų | 120.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | cis | -130.7 | -172.5 | 9.1 | -50.6 | -173.4 | 122.6 | 0 | 0 | 109.8 | | |
| 815 | K | 38.3 | Very low | 37.3 | Very low | 180 Ų | 180 | 120.9 Ų | 120.9 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | cis | -159.3 | 164.2 | 21.6 | -150 | 174 | -166.8 | 97.6 | 0 | 111.2 | | |
| 816 | G | 43 | Very low | 37.8 | Very low | 66 Ų | 66 | 121.6 Ų | 121.6 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | | | trans | -61.3 | 154.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 817 | A | 31.3 | Very low | 37.9 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | | | cis | 88.4 | 128.2 | 38.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 818 | R | 43 | Very low | 38.3 | Very low | 251 Ų | 251 | 124.4 Ų | 124.4 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | | | trans | 168.6 | 117.1 | 134.8 | -175.9 | 171.3 | -167.8 | 166.1 | 2.7 | 113.8 | | |
| 819 | G | 41.7 | Very low | 38.9 | Very low | 55 Ų | 55 | 125 Ų | 125 | 57% | 0.567 | 81% | 0.808 | S | S | * | * | | | trans | 58.2 | 120.2 | 142.7 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 820 | A | 46.8 | Very low | 38.6 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | trans | -74.2 | 147.5 | 150.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 821 | P | 37.1 | Very low | 39.3 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | | | | -150.7 | 163.2 | 105.5 | 38.7 | -23 | 0 | 0 | 0 | 115.6 | | |
| 822 | G | 37.6 | Very low | 39.5 | Very low | 78 Ų | 78 | 125.7 Ų | 125.7 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | 117.9 | 113.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 823 | A | 44.7 | Very low | 39.6 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -91.7 | 162 | 147.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 824 | P | 40.4 | Very low | 40 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | cis | -139.5 | -176.9 | 27 | 42.5 | -24.1 | 0 | 0 | 0 | 116.3 | | |
| 825 | G | 38.5 | Very low | 40 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | 172.7 | 130.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 826 | L | 39.7 | Very low | 40.7 | Very low | 180 Ų | 180 | 121 Ų | 121 | 94% | 0.942 | 81% | 0.805 | S | S | * | * | | | trans | -128.4 | 71.1 | -170.2 | -138.6 | 179.6 | 0 | 0 | 0 | 113 | | |
| 827 | M | 35.4 | Very low | 40.6 | Very low | 191 Ų | 191 | 121.4 Ų | 121.4 | 94% | 0.941 | 81% | 0.808 | S | S | * | * | | | trans | -171.8 | 142.2 | 165.1 | -147.5 | 163.9 | 66.4 | 0 | 0 | 108 | | |
| 828 | G | 42.1 | Very low | 41.2 | Very low | 64 Ų | 64 | 124.8 Ų | 124.8 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | | | cis | -161 | 179.3 | -7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 829 | P | 48.4 | Very low | 41 | Very low | 127 Ų | 127 | 119 Ų | 119 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -98.5 | 123.7 | -162.1 | 34.7 | -33.6 | 0 | 0 | 0 | 116.6 | | |
| 830 | S | 35.2 | Very low | 40.9 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | | | trans | 177 | 153.6 | 148 | -83.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 831 | G | 45.5 | Very low | 40.7 | Very low | 62 Ų | 62 | 118.9 Ų | 118.9 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | | | cis | -157.5 | -160.4 | 2.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 832 | K | 34.2 | Very low | 40.7 | Very low | 208 Ų | 208 | 121.1 Ų | 121.1 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | | | trans | -128 | 128.5 | -176.6 | -48.7 | 172.8 | -169.4 | 173.3 | 0 | 110.6 | | |
| 833 | D | 39.1 | Very low | 40.6 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 63% | 0.631 | 81% | 0.811 | S | S | * | * | | | trans | -123.4 | 144.1 | 168.3 | -56 | -63.4 | 0 | 0 | 0 | 107.7 | | |
| 834 | G | 44 | Very low | 40.3 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | cis | -177.5 | 153.1 | -8.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 835 | L | 34.8 | Very low | 40 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 133.6 | 173.5 | -86.4 | 167.5 | 0 | 0 | 0 | 110.4 | | |
| 836 | P | 51.6 | Low | 40 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 147.1 | 169.7 | -23.4 | 34.9 | 0 | 0 | 0 | 112.5 | | |
| 837 | G | 41.8 | Very low | 39.8 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 171.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 838 | L | 44.2 | Very low | 40.2 | Very low | 178 Ų | 178 | 123.4 Ų | 123.4 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 150.1 | 167.4 | -65.9 | 156.9 | 0 | 0 | 0 | 110.9 | | |
| 839 | P | 38.6 | Very low | 39.8 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | | | | -148.6 | 167.5 | 93.7 | 39.3 | -23.6 | 0 | 0 | 0 | 115.7 | | |
| 840 | G | 39.6 | Very low | 39.1 | Very low | 85 Ų | 85 | 123.6 Ų | 123.6 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | | | trans | 118.8 | 120.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 841 | G | 43.1 | Very low | 39.2 | Very low | 67 Ų | 67 | 123.8 Ų | 123.8 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | -133.6 | -164.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 842 | I | 35.9 | Very low | 38.7 | Very low | 179 Ų | 179 | 128.1 Ų | 128.1 | 92% | 0.918 | 80% | 0.803 | S | S | * | * | | | trans | 78 | 132.4 | -169.3 | -49.2 | 164.6 | 0 | 0 | 0 | 112.2 | | |
| 843 | G | 36 | Very low | 39.1 | Very low | 64 Ų | 64 | 124.4 Ų | 124.4 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | | | cis | 135.8 | 123.2 | -14.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 844 | E | 38.1 | Very low | 38.9 | Very low | 165 Ų | 165 | 122.2 Ų | 122.2 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | | | trans | -156.2 | 160.2 | 160.7 | -83.2 | -148.5 | 117.5 | 0 | 0 | 108.3 | | |
| 845 | K | 34.2 | Very low | 38.4 | Very low | 183 Ų | 183 | 127 Ų | 127 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | | | cis | 165.8 | 137 | -20.7 | 177.7 | 179.8 | -176.9 | -176.1 | 0 | 107.2 | | |
| 846 | G | 38.7 | Very low | 38.6 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | cis | -176.8 | 179.1 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 847 | E | 35.4 | Very low | 38.6 | Very low | 194 Ų | 194 | 121.5 Ų | 121.5 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | | | trans | -96.6 | -165 | 170.8 | -54.2 | 172.4 | 111.2 | 0 | 0 | 109.7 | | |
| 848 | P | 42.8 | Very low | 38.6 | Very low | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | cis | -123.5 | -162.4 | -14.1 | 43.6 | -26.9 | 0 | 0 | 0 | 111.4 | | |
| 849 | G | 35.2 | Very low | 38.8 | Very low | 67 Ų | 67 | 121.1 Ų | 121.1 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | cis | 150.3 | -179.2 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 850 | V | 32.3 | Very low | 38.7 | Very low | 129 Ų | 129 | 118.5 Ų | 118.5 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | | | trans | 73.3 | 116.7 | 166.9 | -168.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 851 | S | 38.3 | Very low | 38.5 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -160.7 | 154.9 | 145.9 | -79.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 852 | I | 34.6 | Very low | 38.3 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -125.9 | 134.1 | -164 | -71.4 | 168.7 | 0 | 0 | 0 | 108.1 | | |
| 853 | P | 42.5 | Very low | 38.4 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | | | | -147.7 | 172.1 | 80.5 | 39.1 | -19.7 | 0 | 0 | 0 | 116.8 | | |
| 854 | G | 35.2 | Very low | 38.3 | Very low | 72 Ų | 72 | 127.4 Ų | 127.4 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | trans | -136.9 | 167.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 855 | L | 32.8 | Very low | 38.1 | Very low | 173 Ų | 173 | 129.6 Ų | 129.6 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | | | trans | -142.5 | 160.6 | 171.2 | -89.5 | 169.1 | 0 | 0 | 0 | 108.3 | | |
| 856 | P | 40.5 | Very low | 38.4 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 158.8 | -135.8 | -5.2 | 26 | 0 | 0 | 0 | 115.9 | | |
| 857 | G | 51.8 | Low | 38.2 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 133.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 858 | P | 41.8 | Very low | 38.2 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 158.9 | 167.7 | -20.2 | 34.1 | 0 | 0 | 0 | 112.9 | | |
| 859 | P | 47.5 | Very low | 37.8 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 154.6 | -151.9 | -8.7 | 28.5 | 0 | 0 | 0 | 115.7 | | |
| 860 | G | 35.6 | Very low | 37.5 | Very low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 151.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 861 | F | 35.3 | Very low | 37.8 | Very low | 214 Ų | 214 | 136.6 Ų | 136.6 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81 | 146.2 | 174.2 | -85.9 | -86.9 | 0 | 0 | 0 | 112.1 | | |
| 862 | A | 40 | Very low | 37.8 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 150.8 | -159.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 863 | G | 37.7 | Very low | 38.3 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 158.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 864 | M | 33.8 | Very low | 38.1 | Very low | 194 Ų | 194 | 136 Ų | 136 | 96% | 0.956 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 139.5 | 168.1 | -70.2 | -177.8 | 69.3 | 0 | 0 | 110.7 | G866 | M864-G866 PolarHBondContact O-N 2.7Š|
| 865 | K | 34.4 | Very low | 38.2 | Very low | 212 Ų | 212 | 135.6 Ų | 135.6 | 92% | 0.922 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -57 | 117.1 | 178.9 | 179.1 | -176.5 | 177.6 | -175.1 | 0 | 110.9 | | |
| 866 | G | 39.5 | Very low | 38.8 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 157.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M864 | M864-G866 PolarHBondContact O-N 2.7Š|
| 867 | E | 35.9 | Very low | 38.8 | Very low | 197 Ų | 197 | 136.4 Ų | 136.4 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | | | trans | -99.3 | 106.9 | 168.2 | -65.5 | -160.8 | 132.4 | 0 | 0 | 111.3 | | |
| 868 | R | 34 | Very low | 38 | Very low | 238 Ų | 238 | 135.9 Ų | 135.9 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | | | trans | -9.6 | 126.1 | 137.5 | -177.4 | -161.6 | -48.6 | -176.8 | 5.1 | 114.2 | | |
| 869 | G | 34.5 | Very low | 38.5 | Very low | 53 Ų | 53 | 136.6 Ų | 136.6 | 55% | 0.546 | 82% | 0.818 | S | S | . | * | | | cis | 136 | 148.3 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 870 | F | 30.2 | Very low | 38 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | | | trans | 69.9 | 154.7 | 179.3 | -52.2 | -77.8 | 0 | 0 | 0 | 113.7 | | |
| 871 | D | 37.9 | Very low | 38 | Very low | 167 Ų | 167 | 137 Ų | 137 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | | | cis | -105.8 | 176.6 | 17.2 | -73.1 | -51.8 | 0 | 0 | 0 | 116.7 | | |
| 872 | G | 38.7 | Very low | 38.4 | Very low | 70 Ų | 70 | 136 Ų | 136 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | trans | -101.8 | 177.7 | -162.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 873 | Q | 43.9 | Very low | 38.1 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | | | trans | -64.7 | 147.2 | 177.4 | -58.5 | 170.3 | -6.9 | 0 | 0 | 111.9 | | |
| 874 | P | 38.2 | Very low | 38.1 | Very low | 134 Ų | 134 | 140 Ų | 140 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | | | | -142.6 | 158.9 | 97.5 | 37.4 | -24.4 | 0 | 0 | 0 | 113.7 | | |
| 875 | G | 37.5 | Very low | 38.4 | Very low | 64 Ų | 64 | 137.7 Ų | 137.7 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | | | cis | 178.6 | 162.1 | -4.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P877 | G875-P877 WeakPolarHBondContact O-CD 3.33Š|
| 876 | L | 46.1 | Very low | 38.9 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 95% | 0.948 | 80% | 0.803 | S | S | * | * | | | trans | -95.6 | 115.7 | 179.4 | -81.9 | 164.3 | 0 | 0 | 0 | 112.4 | | |
| 877 | P | 39.5 | Very low | 38.9 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | trans | -131.4 | 152.8 | 135.1 | 22.1 | -3.2 | 0 | 0 | 0 | 110.6 | G875 | G875-P877 WeakPolarHBondContact O-CD 3.33Š|
| 878 | G | 35.4 | Very low | 39.1 | Very low | 59 Ų | 59 | 132.3 Ų | 132.3 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | | | cis | 125.3 | 111.6 | 20.5 | 0 | 0 | 0 | 0 | 0 | 108 | P880 | G878-P880 WeakPolarHBondContact O-CD 3.49Š|
| 879 | P | 51.9 | Low | 39.1 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | trans | -95.6 | 118.9 | -162.8 | 33.9 | -34.3 | 0 | 0 | 0 | 115.9 | | |
| 880 | P | 37.4 | Very low | 39.1 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -128.7 | 167.6 | 145.5 | 38.8 | -28.7 | 0 | 0 | 0 | 110.8 | G878 | G878-P880 WeakPolarHBondContact O-CD 3.49Š|
| 881 | G | 35.9 | Very low | 39.1 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | cis | 176.8 | 161.2 | -3.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 882 | R | 44.7 | Very low | 38.8 | Very low | 192 Ų | 192 | 133 Ų | 133 | 73% | 0.725 | 81% | 0.805 | S | S | * | * | | | trans | -107.3 | 161.8 | -171.9 | -142.2 | -179.3 | -174.8 | -154.6 | 1.7 | 114.7 | | |
| 883 | M | 33.4 | Very low | 38.9 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | 84.9 | 148.4 | -178.3 | -54.2 | -166.7 | -66.3 | 0 | 0 | 115.3 | | |
| 884 | G | 37.6 | Very low | 38.3 | Very low | 73 Ų | 73 | 133.1 Ų | 133.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | cis | -145.1 | -167 | 10.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 885 | V | 40.7 | Very low | 38.6 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | | | trans | -140.7 | 162.3 | -178.2 | -112.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 886 | P | 43.7 | Very low | 38.7 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | | | cis | -130.6 | 175.3 | 2 | 39.7 | -23 | 0 | 0 | 0 | 115.3 | | |
| 887 | G | 39.3 | Very low | 38 | Very low | 79 Ų | 79 | 131.2 Ų | 131.2 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | | | trans | -163 | 110.1 | 165 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 888 | I | 40.6 | Very low | 37.9 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | | | trans | -122.3 | 161.3 | -173.4 | 48.9 | 170.4 | 0 | 0 | 0 | 111.8 | | |
| 889 | R | 34.7 | Very low | 38.1 | Very low | 236 Ų | 236 | 132.6 Ų | 132.6 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | | | trans | 90.4 | 131.9 | 177.3 | -161.8 | -178 | -167.5 | 167.6 | 3.9 | 114.6 | | |
| 890 | G | 34.3 | Very low | 37.8 | Very low | 62 Ų | 62 | 134.2 Ų | 134.2 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | | | cis | 162.8 | 168.2 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 891 | E | 30.2 | Very low | 37.9 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | 67.4 | 147 | 171 | -65.3 | 168.6 | -134.7 | 0 | 0 | 115.3 | | |
| 892 | K | 31.1 | Very low | 38 | Very low | 203 Ų | 203 | 134.4 Ų | 134.4 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | cis | -166.7 | 139.7 | -6.1 | 154.9 | -176 | 177.5 | -178.2 | 0 | 108.3 | | |
| 893 | G | 41 | Very low | 37.8 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | 169.4 | 76.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 894 | E | 30.7 | Very low | 38.2 | Very low | 187 Ų | 187 | 124.9 Ų | 124.9 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -80.6 | 172.1 | 152 | -68.6 | -179.3 | 125.5 | 0 | 0 | 109.4 | | |
| 895 | P | 45 | Very low | 38.9 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | | | cis | -133.3 | -173.6 | 16.6 | 41.5 | -21.9 | 0 | 0 | 0 | 114.5 | L897 | P895-L897 HydrophobicContact CB-CD1 4.36Š|
| 896 | G | 39.7 | Very low | 39 | Very low | 61 Ų | 61 | 119.6 Ų | 119.6 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | | | cis | -159 | 157.1 | 1.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 897 | L | 31.5 | Very low | 39 | Very low | 156 Ų | 156 | 118.3 Ų | 118.3 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | | | | 73.9 | 128.1 | 84.7 | -65.2 | 166.9 | 0 | 0 | 0 | 111.9 | P895 | P895-L897 HydrophobicContact CB-CD1 4.36Š|
| 898 | V | 37.7 | Very low | 39.4 | Very low | 148 Ų | 148 | 118.2 Ų | 118.2 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | | | cis | -140.1 | 147.2 | 18.4 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 899 | G | 38 | Very low | 39.1 | Very low | 62 Ų | 62 | 119 Ų | 119 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | | | cis | 173.1 | 151 | -6.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 900 | L | 46.6 | Very low | 39.1 | Very low | 175 Ų | 175 | 117 Ų | 117 | 92% | 0.916 | 74% | 0.737 | S | S | * | * | | | trans | -114.6 | 126.4 | 174.3 | -78.7 | 166.2 | 0 | 0 | 0 | 109.6 | | |
| 901 | P | 38.9 | Very low | 39.3 | Very low | 133 Ų | 133 | 117.1 Ų | 117.1 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | | | trans | -144.7 | 156.8 | 130.1 | 37.1 | -23.7 | 0 | 0 | 0 | 112.8 | | |
| 902 | G | 39.2 | Very low | 39.7 | Very low | 73 Ų | 73 | 116.8 Ų | 116.8 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | | | trans | 160.6 | 45 | 172.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 903 | T | 39.4 | Very low | 40 | Very low | 112 Ų | 112 | 111.4 Ų | 111.4 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | | | trans | -85 | 162.9 | 145.4 | 53.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 904 | P | 43.2 | Very low | 39.9 | Very low | 65 Ų | 65 | 109.9 Ų | 109.9 | 42% | 0.422 | 72% | 0.72 | S | S | . | * | | | cis | -99.1 | -112.3 | -25.3 | 23 | -1 | 0 | 0 | 0 | 108.1 | C566 Y568 | C566-P904 HydrophobicContact CB-CB 3.96Å; Y568-P904 HydrophobicContact CD2-CB 4.43Å; Y568-P904 HydrophobicContact CD2-CG 4.24Å; Y568-P904 HydrophobicContact CG-CG 4.47Å |
| 905 | G | 51.9 | Low | 40.3 | Very low | 32 Ų | 32 | 106.7 Ų | 106.7 | 33% | 0.33 | 72% | 0.715 | S | S | . | * | | | trans | -179.7 | -178.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | C566 | C566-G905 PolarHBondContact SG-O 3.39Š|
| 906 | A | 42.3 | Very low | 40.1 | Very low | 76 Ų | 76 | 104.7 Ų | 104.7 | 63% | 0.628 | 71% | 0.709 | S | S | * | * | | | trans | -143 | 162.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 907 | P | 44.2 | Very low | 39.9 | Very low | 93 Ų | 93 | 104.1 Ų | 104.1 | 60% | 0.604 | 70% | 0.703 | S | S | * | * | | | trans | -66.3 | 155.4 | 172 | -16.9 | 31.9 | 0 | 0 | 0 | 112.3 | | |
| 908 | G | 46.4 | Very low | 40.1 | Very low | 76 Ų | 76 | 102 Ų | 102 | 78% | 0.784 | 70% | 0.702 | S | S | * | * | | | trans | -91.1 | 160.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 909 | M | 35 | Very low | 40.2 | Very low | 182 Ų | 182 | 100.7 Ų | 100.7 | 90% | 0.897 | 70% | 0.696 | S | S | * | * | | | trans | -131.6 | 132.3 | 158.3 | -76.2 | -169.7 | 70.9 | 0 | 0 | 109.9 | | |
| 910 | K | 34.1 | Very low | 40 | Very low | 192 Ų | 192 | 101.2 Ų | 101.2 | 84% | 0.835 | 70% | 0.701 | S | S | * | * | | | trans | 42.8 | 118.6 | 153.7 | -152.5 | 177.8 | -176.3 | -171 | 0 | 118.6 | | |
| 911 | G | 39.8 | Very low | 39.4 | Very low | 65 Ų | 65 | 102 Ų | 102 | 67% | 0.67 | 70% | 0.697 | S | S | * | * | | | trans | -91.6 | 164.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 912 | D | 38.4 | Very low | 39.4 | Very low | 164 Ų | 164 | 102.7 Ų | 102.7 | 88% | 0.877 | 69% | 0.694 | S | S | * | * | | | trans | -135.7 | 170 | 162.8 | -84.8 | -57.4 | 0 | 0 | 0 | 108.7 | | |
| 913 | A | 37.2 | Very low | 39.2 | Very low | 90 Ų | 90 | 102.8 Ų | 102.8 | 74% | 0.744 | 70% | 0.695 | S | S | * | * | | | trans | -89.5 | 136.1 | -154.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 914 | G | 38.9 | Very low | 39.4 | Very low | 45 Ų | 45 | 103 Ų | 103 | 46% | 0.464 | 70% | 0.698 | S | S | . | * | | | trans | 78.3 | 122.9 | 134.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 915 | P | 40 | Very low | 39.4 | Very low | 119 Ų | 119 | 105.4 Ų | 105.4 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 133.7 | 145.3 | 32 | -30.5 | 0 | 0 | 0 | 109.2 | | |
| 916 | A | 40.4 | Very low | 38.7 | Very low | 79 Ų | 79 | 107.8 Ų | 107.8 | 65% | 0.653 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 144.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | C154 | C154-A916 WeakPolarHBondContact O-CA 3.32Š|
| 917 | G | 34.9 | Very low | 38.3 | Very low | 50 Ų | 50 | 111.9 Ų | 111.9 | 52% | 0.515 | 75% | 0.749 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 138.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C154 | C154-G917 PolarHBondContact O-N 3.41Š|
| 918 | S | 35.8 | Very low | 38.1 | Very low | 112 Ų | 112 | 113.1 Ų | 113.1 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 128.9 | 169 | 51.1 | 0 | 0 | 0 | 0 | 109.9 | G920 | S918-G920 PolarHBondContact O-N 3.41Š|
| 919 | P | 40.4 | Very low | 37.7 | Very low | 119 Ų | 119 | 112.7 Ų | 112.7 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 137.6 | -177 | -29.1 | 35.8 | 0 | 0 | 0 | 113.5 | | |
| 920 | G | 33.8 | Very low | 38.2 | Very low | 73 Ų | 73 | 110.3 Ų | 110.3 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 151.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S918 | S918-G920 PolarHBondContact O-N 3.41Š|
| 921 | F | 33.5 | Very low | 38.3 | Very low | 191 Ų | 191 | 108 Ų | 108 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | trans | -130 | 123 | 161.1 | -85.6 | -80.1 | 0 | 0 | 0 | 109.6 | | |
| 922 | D | 38.5 | Very low | 38.1 | Very low | 149 Ų | 149 | 107 Ų | 107 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | trans | 9.3 | 111.8 | 163.8 | -52.3 | -31.6 | 0 | 0 | 0 | 118.6 | P924 | D922-P924 VanDerWaalsContact O-CD 3.32Å; D922-P924 WeakPolarHBondContact O-CD 3.27Å |
| 923 | G | 36.1 | Very low | 38.4 | Very low | 74 Ų | 74 | 103.5 Ų | 103.5 | 76% | 0.763 | 74% | 0.735 | S | S | * | * | | | trans | -77.7 | 115.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 924 | P | 42.2 | Very low | 38.5 | Very low | 118 Ų | 118 | 105.3 Ų | 105.3 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 148.6 | 171.6 | 28 | -33.6 | 0 | 0 | 0 | 110.6 | D922 | D922-P924 VanDerWaalsContact O-CD 3.32Å; D922-P924 WeakPolarHBondContact O-CD 3.27Å |
| 925 | P | 44.1 | Very low | 38.2 | Very low | 114 Ų | 114 | 107.1 Ų | 107.1 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 154.2 | -151.8 | -18.2 | 33.8 | 0 | 0 | 0 | 115.1 | L927 | P925-L927 PolarHBondContact O-N 2.97Š|
| 926 | G | 36.8 | Very low | 38.1 | Very low | 82 Ų | 82 | 110.2 Ų | 110.2 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 124.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 927 | L | 33.2 | Very low | 37.9 | Very low | 162 Ų | 162 | 111.5 Ų | 111.5 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 153.1 | 174.3 | -73.8 | 172 | 0 | 0 | 0 | 111 | P925 | P925-L927 PolarHBondContact O-N 2.97Š|
| 928 | P | 40.2 | Very low | 37.9 | Very low | 119 Ų | 119 | 112.5 Ų | 112.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 163.8 | -146 | -18.8 | 34.7 | 0 | 0 | 0 | 115.8 | | |
| 929 | G | 37.8 | Very low | 37.7 | Very low | 67 Ų | 67 | 116.9 Ų | 116.9 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -61 | 141.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 930 | P | 46 | Very low | 37.4 | Very low | 133 Ų | 133 | 121.4 Ų | 121.4 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 137.2 | -177.4 | 29.1 | -34.7 | 0 | 0 | 0 | 112.6 | | |
| 931 | V | 35.5 | Very low | 37.6 | Very low | 144 Ų | 144 | 121.5 Ų | 121.5 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 152.3 | 171.6 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 932 | G | 36.3 | Very low | 37.9 | Very low | 43 Ų | 43 | 122 Ų | 122 | 44% | 0.443 | 81% | 0.812 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 153.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 933 | A | 45.2 | Very low | 37.8 | Very low | 90 Ų | 90 | 119.8 Ų | 119.8 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 157.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 934 | P | 38.7 | Very low | 37.8 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | -136.1 | 150.8 | 135.7 | 37 | -25.8 | 0 | 0 | 0 | 114.1 | | |
| 935 | G | 33.7 | Very low | 37.7 | Very low | 83 Ų | 83 | 122.1 Ų | 122.1 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | | | trans | 99.8 | 104.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 936 | L | 37 | Very low | 37.4 | Very low | 183 Ų | 183 | 122.5 Ų | 122.5 | 96% | 0.958 | 82% | 0.821 | S | S | * | * | | | trans | -102.7 | 118.4 | 164.3 | -100.8 | 173.3 | 0 | 0 | 0 | 110.6 | | |
| 937 | A | 35.3 | Very low | 37.3 | Very low | 106 Ų | 106 | 122 Ų | 122 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | | | trans | 169.7 | 134.8 | 143.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 938 | G | 35.3 | Very low | 37.1 | Very low | 72 Ų | 72 | 123.2 Ų | 123.2 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | | | cis | 166.4 | 150 | -6.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 939 | M | 32.9 | Very low | 37 | Very low | 204 Ų | 204 | 123.1 Ų | 123.1 | 100% | 1.005 | 82% | 0.818 | S | S | * | * | | | trans | -135.2 | 152.6 | 174.9 | -67.8 | -167.3 | 77.2 | 0 | 0 | 111.6 | | |
| 940 | K | 34.3 | Very low | 36.8 | Very low | 213 Ų | 213 | 123.6 Ų | 123.6 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | | | trans | -128.1 | 135.3 | -175 | 171.9 | -171.4 | 174.6 | -175.3 | 0 | 109.2 | | |
| 941 | G | 37.1 | Very low | 36.1 | Very low | 75 Ų | 75 | 121.5 Ų | 121.5 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | 162.6 | 95.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 942 | E | 39.3 | Very low | 36 | Very low | 201 Ų | 201 | 121.6 Ų | 121.6 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | | | trans | -86.3 | 168.6 | 157.4 | -56.5 | 169 | 118.6 | 0 | 0 | 108 | | |
| 943 | A | 36.4 | Very low | 35.7 | Very low | 104 Ų | 104 | 123 Ų | 123 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | | | cis | -152.7 | -176.9 | 13.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 944 | G | 36.2 | Very low | 35 | Very low | 65 Ų | 65 | 127.5 Ų | 127.5 | 67% | 0.67 | 84% | 0.843 | S | S | * | * | | | cis | 152.3 | 167.2 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 945 | L | 41.4 | Very low | 34.8 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 92% | 0.916 | 85% | 0.847 | S | S | * | * | | | trans | 69 | 167.5 | 168.7 | -60.8 | 173.1 | 0 | 0 | 0 | 116.3 | | |
| 946 | P | 36.5 | Very low | 35 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 80% | 0.799 | 84% | 0.836 | S | S | * | * | | | cis | -135.6 | 169.1 | 8.5 | 42.7 | -25.9 | 0 | 0 | 0 | 118.7 | | |
| 947 | G | 34.1 | Very low | 34.7 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | | | trans | 89.9 | 155 | 152.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 948 | M | 29.5 | Very low | 34.8 | Very low | 188 Ų | 188 | 132 Ų | 132 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | | | cis | -150.7 | 168.7 | -12.4 | -98 | -158.3 | 85 | 0 | 0 | 110.6 | | |
| 949 | P | 38.3 | Very low | 34.9 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | | | trans | -128.7 | 173.6 | -142.9 | 43.7 | -31.6 | 0 | 0 | 0 | 118.2 | | |
| 950 | G | 34.3 | Very low | 34.9 | Very low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | | | trans | 111.3 | 148.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 951 | A | 31.7 | Very low | 35.1 | Very low | 90 Ų | 90 | 125.6 Ų | 125.6 | 74% | 0.744 | 82% | 0.817 | S | S | * | * | | | cis | -161 | 159.4 | -11.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 952 | T | 32.4 | Very low | 35.2 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | | | trans | 31.3 | 133.7 | 151 | 52.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 953 | G | 30.8 | Very low | 35.2 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | | | cis | -162 | -167.8 | 4.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 954 | L | 30.4 | Very low | 35.3 | Very low | 183 Ų | 183 | 125.1 Ų | 125.1 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | | | cis | -125.9 | 149.1 | 17.8 | -73 | 163.3 | 0 | 0 | 0 | 112.9 | | |
| 955 | K | 33.3 | Very low | 35.7 | Very low | 210 Ų | 210 | 125.6 Ų | 125.6 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | | | trans | -101.6 | 144 | 166.2 | 169.3 | -172.3 | 178.7 | -178 | 0 | 106.9 | | |
| 956 | G | 38.3 | Very low | 35.3 | Very low | 61 Ų | 61 | 122.2 Ų | 122.2 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | | | cis | 159.3 | 145.3 | 3.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 957 | E | 30.9 | Very low | 35.2 | Very low | 193 Ų | 193 | 126.5 Ų | 126.5 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.7 | -168 | -65.2 | -176.4 | 123.9 | 0 | 0 | 113.4 | G959 | E957-G959 PolarHBondContact O-N 2.85Š|
| 958 | P | 38.1 | Very low | 35.3 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 129 | 174.5 | -24.6 | 35.2 | 0 | 0 | 0 | 112.5 | | |
| 959 | G | 37.1 | Very low | 35.4 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 158.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E957 | E957-G959 PolarHBondContact O-N 2.85Š|
| 960 | I | 32.3 | Very low | 35.5 | Very low | 165 Ų | 165 | 122.2 Ų | 122.2 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 126.4 | 175.2 | -57 | 166.7 | 0 | 0 | 0 | 109.9 | G962 | I960-G962 PolarHBondContact O-N 2.9Š|
| 961 | P | 39 | Very low | 35.6 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 128.3 | 172.5 | -24.9 | 35.3 | 0 | 0 | 0 | 111.9 | | |
| 962 | G | 39.8 | Very low | 35.7 | Very low | 72 Ų | 72 | 126.1 Ų | 126.1 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 147.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I960 | I960-G962 PolarHBondContact O-N 2.9Š|
| 963 | L | 37.8 | Very low | 35.8 | Very low | 172 Ų | 172 | 125.2 Ų | 125.2 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 138.1 | 169.5 | -74 | 162 | 0 | 0 | 0 | 110.4 | G965 | L963-G965 PolarHBondContact O-N 3.22Š|
| 964 | P | 39.2 | Very low | 36.3 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 129.3 | 175 | -24.4 | 34.6 | 0 | 0 | 0 | 112 | | |
| 965 | G | 43.8 | Very low | 36.7 | Very low | 75 Ų | 75 | 121.2 Ų | 121.2 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68 | 139.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L963 K967 | L963-G965 PolarHBondContact O-N 3.22Å; G965-K967 PolarHBondContact O-N 3.45Å |
| 966 | A | 33.5 | Very low | 37.3 | Very low | 104 Ų | 104 | 117.2 Ų | 117.2 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 126.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | G968 | A966-G968 PolarHBondContact O-N 3.46Š|
| 967 | K | 33.7 | Very low | 37.2 | Very low | 214 Ų | 214 | 117.5 Ų | 117.5 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 127 | 168.5 | -166.5 | 174.3 | -178.1 | -178.9 | 0 | 107.9 | G965 | G965-K967 PolarHBondContact O-N 3.45Š|
| 968 | G | 37.7 | Very low | 37.3 | Very low | 67 Ų | 67 | 116 Ų | 116 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 149.4 | -161 | 0 | 0 | 0 | 0 | 0 | 115.3 | A966 | A966-G968 PolarHBondContact O-N 3.46Š|
| 969 | A | 31.5 | Very low | 37.3 | Very low | 96 Ų | 96 | 116.8 Ų | 116.8 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 136.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 970 | P | 40.9 | Very low | 37.2 | Very low | 122 Ų | 122 | 116.5 Ų | 116.5 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 148.9 | 164.2 | -23.7 | 34.9 | 0 | 0 | 0 | 110.6 | L972 | P970-L972 PolarHBondContact O-N 2.85Š|
| 971 | G | 35.5 | Very low | 37.3 | Very low | 70 Ų | 70 | 114 Ų | 114 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 126.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T973 | G971-T973 PolarHBondContact O-N 2.83Š|
| 972 | L | 33.3 | Very low | 37.3 | Very low | 178 Ų | 178 | 114.1 Ų | 114.1 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | | | trans | -70.7 | 79.8 | 154.9 | -77.2 | 172.9 | 0 | 0 | 0 | 108.5 | P970 G974 | P970-L972 PolarHBondContact O-N 2.85Å; L972-G974 PolarHBondContact O-N 3.39Å |
| 973 | T | 36 | Very low | 37 | Very low | 127 Ų | 127 | 113.3 Ų | 113.3 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -44.3 | 136 | 145.9 | -56.1 | 0 | 0 | 0 | 0 | 107.5 | G971 | G971-T973 PolarHBondContact O-N 2.83Š|
| 974 | G | 40.6 | Very low | 36.7 | Very low | 50 Ų | 50 | 116 Ų | 116 | 52% | 0.515 | 78% | 0.779 | S | S | . | * | P | Polyproline II helix | trans | -55 | 158.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L972 | L972-G974 PolarHBondContact O-N 3.39Š|
| 975 | P | 39 | Very low | 36.5 | Very low | 122 Ų | 122 | 114 Ų | 114 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 136.8 | 175 | 24.1 | -34.2 | 0 | 0 | 0 | 109.4 | G977 | P975-G977 PolarHBondContact O-N 2.86Š|
| 976 | P | 45.2 | Very low | 36.4 | Very low | 126 Ų | 126 | 113 Ų | 113 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 128.1 | 171.7 | -26.1 | 34.7 | 0 | 0 | 0 | 109.4 | | |
| 977 | G | 36.2 | Very low | 36.3 | Very low | 67 Ų | 67 | 114.4 Ų | 114.4 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 146.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | P975 T979 | P975-G977 PolarHBondContact O-N 2.86Å; G977-T979 PolarHBondContact O-N 3.26Å |
| 978 | D | 33.6 | Very low | 36.4 | Very low | 163 Ų | 163 | 111.4 Ų | 111.4 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 133.2 | -177 | -66.5 | -62.4 | 0 | 0 | 0 | 111.4 | G980 | D978-G980 PolarHBondContact O-N 3.01Š|
| 979 | T | 36.7 | Very low | 36.5 | Very low | 148 Ų | 148 | 112 Ų | 112 | 91% | 0.908 | 76% | 0.756 | S | S | * | * | | | trans | -65.9 | 100.4 | 174.5 | -64.2 | 0 | 0 | 0 | 0 | 108 | G977 | G977-T979 PolarHBondContact O-N 3.26Š|
| 980 | G | 36.4 | Very low | 36.5 | Very low | 62 Ų | 62 | 115.3 Ų | 115.3 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 141 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D978 | D978-G980 PolarHBondContact O-N 3.01Š|
| 981 | S | 34.2 | Very low | 36.2 | Very low | 113 Ų | 113 | 119.7 Ų | 119.7 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 137.3 | 160.3 | 52.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 982 | P | 38.4 | Very low | 36.3 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 159.1 | -172.9 | -29.4 | 36.2 | 0 | 0 | 0 | 116.7 | | |
| 983 | G | 34.8 | Very low | 36.8 | Very low | 55 Ų | 55 | 120.7 Ų | 120.7 | 57% | 0.567 | 77% | 0.766 | S | S | * | * | | | trans | -71.9 | -164.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 984 | Y | 30.2 | Very low | 37 | Very low | 228 Ų | 228 | 120.9 Ų | 120.9 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | | | cis | -162.7 | 168.8 | 17.8 | -66.3 | -92.6 | 0 | 0 | 0 | 108.9 | | |
| 985 | A | 34.6 | Very low | 36.6 | Very low | 85 Ų | 85 | 121.9 Ų | 121.9 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | | | cis | -174 | 165.4 | -29.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 986 | G | 41.9 | Very low | 36.9 | Very low | 53 Ų | 53 | 124.9 Ų | 124.9 | 55% | 0.546 | 79% | 0.788 | S | S | . | * | | | trans | -178.3 | 142.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 987 | L | 31.4 | Very low | 36.4 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | | | trans | -121.9 | 148.7 | -170.9 | -81.1 | 168.6 | 0 | 0 | 0 | 113.9 | R432 | R432-L987 WeakPolarHBondContact O-CD2 3Š|
| 988 | D | 37.1 | Very low | 36.4 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | 48.4 | 134.8 | 151.3 | -62.5 | -30.5 | 0 | 0 | 0 | 123 | | |
| 989 | G | 38.4 | Very low | 36.4 | Very low | 79 Ų | 79 | 122.4 Ų | 122.4 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | | | trans | -166.2 | 78.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 990 | I | 33.3 | Very low | 36.6 | Very low | 166 Ų | 166 | 120.6 Ų | 120.6 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -64.3 | 150.3 | -171.1 | 39.4 | 169.1 | 0 | 0 | 0 | 115.9 | | |
| 991 | K | 33.6 | Very low | 36.6 | Very low | 213 Ų | 213 | 121.6 Ų | 121.6 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | | | trans | 76.7 | 114 | 156.9 | -168.8 | 179.6 | -179.1 | 179.2 | 0 | 117.6 | | |
| 992 | G | 36.9 | Very low | 36.4 | Very low | 74 Ų | 74 | 123.6 Ų | 123.6 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | trans | -179.4 | 46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 993 | E | 45.1 | Very low | 37 | Very low | 195 Ų | 195 | 122.9 Ų | 122.9 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | | | trans | -80.3 | 138.1 | 144.7 | -64.9 | -174.9 | 147.4 | 0 | 0 | 106.6 | | |
| 994 | P | 40.5 | Very low | 37 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | | | cis | -132.6 | 179.2 | 27.1 | 42.2 | -26.9 | 0 | 0 | 0 | 115.5 | | |
| 995 | G | 32.1 | Very low | 37.6 | Very low | 71 Ų | 71 | 122.5 Ų | 122.5 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | trans | 164.8 | 93 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 996 | L | 45.4 | Very low | 37.5 | Very low | 184 Ų | 184 | 128.6 Ų | 128.6 | 96% | 0.963 | 81% | 0.813 | S | S | * | * | | | trans | -97.5 | 117.2 | 168.8 | -80.1 | 167.2 | 0 | 0 | 0 | 111.3 | | |
| 997 | P | 34.6 | Very low | 37.4 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -133.8 | 146.9 | 143.1 | 31.3 | -16.2 | 0 | 0 | 0 | 112.2 | | |
| 998 | G | 36.4 | Very low | 37.8 | Very low | 77 Ų | 77 | 132.8 Ų | 132.8 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | | | cis | -146.3 | -174.7 | 7.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 999 | A | 32.1 | Very low | 37.8 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | | | trans | -82.3 | 172.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1000 | P | 41.5 | Very low | 37.9 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 71% | 0.714 | 83% | 0.83 | S | S | * | * | | | trans | -89.2 | 157.4 | -155.4 | 35.3 | -37.2 | 0 | 0 | 0 | 115.9 | | |
| 1001 | G | 35.9 | Very low | 38.4 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | | | trans | -92.9 | 87.7 | 160 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1002 | L | 30.7 | Very low | 38.5 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | | | trans | -86.7 | 163.7 | 164.6 | -88.4 | 172.3 | 0 | 0 | 0 | 110.6 | | |
| 1003 | P | 49.8 | Very low | 38.5 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | | | | -104.1 | 156.8 | -119.9 | 37.4 | -39 | 0 | 0 | 0 | 115.9 | | |
| 1004 | G | 35.5 | Very low | 38.1 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | -100.5 | 89.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1006 | G1004-K1006 PolarHBondContact O-N 3.44Š|
| 1005 | Q | 42.9 | Very low | 38.1 | Very low | 195 Ų | 195 | 132.6 Ų | 132.6 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | trans | -77.8 | 102.3 | 163.3 | -86.5 | -161.4 | 15.6 | 0 | 0 | 110.7 | | |
| 1006 | K | 33.1 | Very low | 38.1 | Very low | 213 Ų | 213 | 132.2 Ų | 132.2 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | | | trans | -163.8 | 131.6 | 152.8 | -142.3 | 172.1 | -175.8 | 176.7 | 0 | 109.5 | G1004 | G1004-K1006 PolarHBondContact O-N 3.44Š|
| 1007 | G | 40.1 | Very low | 37.5 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | | | cis | -172.6 | 174.2 | -6.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | R1009 | G1007-R1009 PolarHBondContact O-N 2.84Š|
| 1008 | Q | 39.8 | Very low | 38.3 | Very low | 208 Ų | 208 | 133 Ų | 133 | 97% | 0.972 | 80% | 0.802 | S | S | * | * | | | trans | -64.3 | 130.1 | 176.5 | -67.7 | 176.9 | -6 | 0 | 0 | 111.2 | | |
| 1009 | R | 37.2 | Very low | 38.1 | Very low | 224 Ų | 224 | 132.9 Ų | 132.9 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | -119.5 | 97.5 | 147.1 | 178 | 179.1 | -87.1 | -169.2 | -6 | 108.3 | G1007 R1011 | G1007-R1009 PolarHBondContact O-N 2.84Å; R1009-R1011 WeakPolarHBondContact CG-O 3.33Å |
| 1010 | G | 39.2 | Very low | 38.1 | Very low | 70 Ų | 70 | 135.8 Ų | 135.8 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | | | trans | -83.8 | 123 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1011 | R | 43.3 | Very low | 37.6 | Very low | 207 Ų | 207 | 139.1 Ų | 139.1 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | | | trans | 63.6 | 167.1 | 167.5 | -82.3 | -179.6 | -176.4 | -179.3 | 0.9 | 116.4 | R1009 | R1009-R1011 WeakPolarHBondContact CG-O 3.33Š|
| 1012 | D | 36.8 | Very low | 37.6 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | cis | -119.9 | 169.5 | -5.3 | -95.8 | -53.9 | 0 | 0 | 0 | 111.6 | | |
| 1013 | G | 35.8 | Very low | 37.5 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -179 | 65.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1014 | Q | 37.8 | Very low | 37.1 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | | | trans | -82.1 | -172.1 | 160.2 | -55.2 | 178.3 | -23.1 | 0 | 0 | 109.9 | | |
| 1015 | P | 39.5 | Very low | 37 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | cis | -133.1 | 166 | -21.1 | 19.3 | 4.5 | 0 | 0 | 0 | 115.3 | | |
| 1016 | G | 33.6 | Very low | 37.2 | Very low | 63 Ų | 63 | 138.3 Ų | 138.3 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | trans | 72.1 | 175.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1017 | F | 31.3 | Very low | 37.3 | Very low | 201 Ų | 201 | 135.6 Ų | 135.6 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | cis | -171.9 | -176.4 | -16.7 | -97.7 | -55.4 | 0 | 0 | 0 | 106.5 | | |
| 1018 | P | 52.6 | Low | 37.1 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | | -119.3 | 176.4 | -58.8 | 38.6 | -24.7 | 0 | 0 | 0 | 112.1 | | |
| 1019 | G | 32.6 | Very low | 36.8 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -178.4 | 101.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1020 | D | 30.4 | Very low | 36.9 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | 34.5 | 91.3 | 148.2 | -55.4 | -26 | 0 | 0 | 0 | 122.1 | | |
| 1021 | K | 32.1 | Very low | 36.8 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | | | | 36.5 | 120.1 | 113.2 | -167.1 | -166.7 | -178.3 | -129.1 | 0 | 120.4 | E1023 | K1021-E1023 WeakPolarHBondContact CE-OE1 3.35Å; K1021-E1023 IonicContact NZ-OE1 2.67Å; K1021-E1023 PolarHBondContact NZ-OE1 3.31Å |
| 1022 | G | 34.5 | Very low | 36.5 | Very low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | 131.7 | 150.1 | 135.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1023 | E | 29.4 | Very low | 36.6 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 69% | 0.687 | 81% | 0.811 | S | S | * | * | | | cis | -165.2 | 151.1 | -16.3 | -133.2 | 165.1 | -135.8 | 0 | 0 | 108.4 | K1021 | K1021-E1023 WeakPolarHBondContact CE-OE1 3.35Å; K1021-E1023 IonicContact NZ-OE1 2.67Å; K1021-E1023 PolarHBondContact NZ-OE1 3.31Å |
| 1024 | P | 41.9 | Very low | 36.7 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -89.7 | 118.7 | 176.6 | 32.6 | -31.4 | 0 | 0 | 0 | 112.5 | | |
| 1025 | G | 34 | Very low | 36.6 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | | | trans | 176.9 | 135.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1026 | L | 46.7 | Very low | 36.2 | Very low | 178 Ų | 178 | 128.3 Ų | 128.3 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | | | trans | -103.4 | 139.9 | 176.6 | -79.7 | 165.2 | 0 | 0 | 0 | 111.4 | | |
| 1027 | V | 33.7 | Very low | 36.5 | Very low | 155 Ų | 155 | 129 Ų | 129 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | | | trans | -171.7 | 133 | 133.7 | 143.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1028 | G | 36.7 | Very low | 36.8 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | | | trans | 157 | 94.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1029 | M | 32.7 | Very low | 36.9 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | | | trans | -101.6 | -179.5 | 170.4 | -65.8 | 172.1 | 63.3 | 0 | 0 | 109.7 | | |
| 1030 | P | 40.6 | Very low | 37.1 | Very low | 120 Ų | 120 | 124 Ų | 124 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | | | cis | -125.9 | 175.1 | -43.3 | 31.7 | -14.7 | 0 | 0 | 0 | 112.1 | | |
| 1031 | G | 36.7 | Very low | 37.3 | Very low | 80 Ų | 80 | 123.3 Ų | 123.3 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | | | trans | 177.2 | 80.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1032 | V | 36.8 | Very low | 37.7 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | -97 | 173 | 162.2 | -107.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1033 | P | 40 | Very low | 38.2 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | | | cis | -138.4 | 179.7 | 3 | 38 | -18.3 | 0 | 0 | 0 | 117.2 | | |
| 1034 | G | 37.6 | Very low | 38.3 | Very low | 72 Ų | 72 | 120.1 Ų | 120.1 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | 107.7 | 148.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1035 | I | 34.7 | Very low | 38.3 | Very low | 170 Ų | 170 | 123.9 Ų | 123.9 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | cis | -141.8 | 157.6 | 2.5 | -61.9 | 179.9 | 0 | 0 | 0 | 110.1 | | |
| 1036 | N | 32.6 | Very low | 38.3 | Very low | 164 Ų | 164 | 123.4 Ų | 123.4 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -66.6 | 173.2 | 177.4 | -56.3 | -34.3 | 0 | 0 | 0 | 113.5 | | |
| 1037 | G | 38.4 | Very low | 37.9 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | cis | -173.9 | -160.1 | 6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 1038 | A | 37.8 | Very low | 38.1 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | cis | -159.1 | 168.6 | -1.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1039 | P | 54.1 | Low | 38 | Very low | 136 Ų | 136 | 121.9 Ų | 121.9 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | | | trans | -115.5 | 179.5 | -159.2 | 42.6 | -35.7 | 0 | 0 | 0 | 117.4 | | |
| 1040 | G | 38.2 | Very low | 38 | Very low | 59 Ų | 59 | 121.5 Ų | 121.5 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | | | trans | 170 | 161.6 | 156 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1041 | M | 34 | Very low | 38.2 | Very low | 148 Ų | 148 | 120.8 Ų | 120.8 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | B | Isolated β-bridge | cis | -168.3 | 84.2 | -23.6 | -153.3 | -171.3 | 81.3 | 0 | 0 | 115.9 | P459 | P459-M1041 WeakPolarHBondContact CB-O 3.27Å |
| 1042 | K | 41.7 | Very low | 38.3 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 49% | 0.487 | 75% | 0.749 | S | S | . | * | | | trans | 54.8 | 126.6 | 150.4 | 176.9 | 177.9 | 175.2 | -78.8 | 0 | 122.5 | P459 G460 P462 E1044 | P459-K1042 VanDerWaalsContact C-N 3.26Å; P459-K1042 CarbonylContact O-C 3.6Å; P459-K1042 WeakPolarHBondContact O-CA 3.39Å; P459-K1042 PolarHBondContact O-N 3.03Å; P459-K1042 VanDerWaalsContact O-N 3.1Å; G460-K1042 WeakPolarHBondContact O-CA 3.32Å; G460-K1042 PolarHBondContact O-N 2.87Å; P462-K1042 HydrophobicContact CG-CB 4.35Å; P462-K1042 HydrophobicContact CG-CD 3.88Å; P462-K1042 HydrophobicContact CG-CG 3.82Å; K1042-E1044 WeakPolarHBondContact CE-OE1 3.45Å; K1042-E1044 IonicContact NZ-OE1 3.9Å; K1042-E1044 PolarHBondContact NZ-OE1 2.81Å |
| 1043 | G | 43.3 | Very low | 38.2 | Very low | 53 Ų | 53 | 120.7 Ų | 120.7 | 55% | 0.546 | 75% | 0.746 | S | S | . | * | | | trans | 142.2 | 159.6 | 138.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1044 | E | 31.7 | Very low | 38.3 | Very low | 163 Ų | 163 | 121.1 Ų | 121.1 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | | | cis | -158.9 | -171.1 | -21.4 | -143.6 | 159.9 | -132.2 | 0 | 0 | 113.7 | K1042 | K1042-E1044 WeakPolarHBondContact CE-OE1 3.45Å; K1042-E1044 IonicContact NZ-OE1 3.9Å; K1042-E1044 PolarHBondContact NZ-OE1 2.81Å |
| 1045 | R | 41.6 | Very low | 38.4 | Very low | 211 Ų | 211 | 120.5 Ų | 120.5 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | | | trans | -90.4 | 148.6 | -153.2 | 175.6 | -173.2 | -62.5 | 172.9 | 0.4 | 116.3 | | |
| 1046 | G | 34 | Very low | 38.4 | Very low | 69 Ų | 69 | 117.2 Ų | 117.2 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | | | trans | -140.2 | 142.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1047 | F | 40.1 | Very low | 39 | Very low | 185 Ų | 185 | 113.8 Ų | 113.8 | 81% | 0.811 | 70% | 0.697 | S | S | * | * | | | trans | -92.7 | 157 | -167.8 | -63.6 | -99.9 | 0 | 0 | 0 | 115.1 | | |
| 1048 | P | 37.2 | Very low | 39 | Very low | 122 Ų | 122 | 112.5 Ų | 112.5 | 79% | 0.792 | 68% | 0.683 | S | S | * | * | | | | -134.2 | 163.4 | 129.8 | 29.2 | -12.8 | 0 | 0 | 0 | 113.3 | | |
| 1049 | G | 35.2 | Very low | 39 | Very low | 71 Ų | 71 | 115.2 Ų | 115.2 | 73% | 0.732 | 67% | 0.671 | S | S | * | * | | | trans | -122.3 | 157.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1050 | L | 30.9 | Very low | 38.1 | Very low | 173 Ų | 173 | 114 Ų | 114 | 91% | 0.906 | 67% | 0.666 | S | S | * | * | | | trans | 48.7 | 114.4 | 154.8 | -57.1 | 179.3 | 0 | 0 | 0 | 120.1 | | |
| 1051 | P | 46.1 | Very low | 38.1 | Very low | 105 Ų | 105 | 116 Ų | 116 | 68% | 0.682 | 68% | 0.677 | S | S | * | * | | | trans | -76.3 | 169.5 | 169.2 | -15.7 | 31.7 | 0 | 0 | 0 | 115.4 | M1086 | P1051-M1086 HydrophobicContact CB-CG 4.22Å; P1051-M1086 VanDerWaalsContact O-CE 3.25Å; P1051-M1086 WeakPolarHBondContact O-CE 3.34Å |
| 1052 | G | 39.3 | Very low | 38.3 | Very low | 48 Ų | 48 | 112.8 Ų | 112.8 | 50% | 0.495 | 67% | 0.674 | S | S | . | * | | | trans | -115.9 | 160.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1086 | G1052-M1086 WeakPolarHBondContact O-CG 3.39Å; G1052-M1086 PolarHBondContact O-N 2.88Å |
| 1053 | E | 32.9 | Very low | 38 | Very low | 171 Ų | 171 | 115.3 Ų | 115.3 | 80% | 0.799 | 69% | 0.693 | S | S | * | * | | | trans | -64 | 168.3 | -159.9 | -68 | 178.5 | 119.6 | 0 | 0 | 117.5 | G1085 M1086 | E1053-G1085 WeakPolarHBondContact O-CA 3.24Å; E1053-M1086 HydrophobicContact CB-SD 4.41Å; E1053-M1086 HydrophobicContact CG-CE 4.06Å; E1053-M1086 HydrophobicContact CG-SD 3.81Å |
| 1054 | K | 42.6 | Very low | 37.7 | Very low | 133 Ų | 133 | 116 Ų | 116 | 58% | 0.578 | 70% | 0.7 | S | S | * | * | | | trans | -113.3 | 135.1 | 178.5 | 164.2 | -177.5 | 172.8 | -167.8 | 0 | 110.4 | M1086 | K1054-M1086 HydrophobicContact CB-CB 4.42Å; K1054-M1086 WeakPolarHBondContact CB-O 3.47Å |
| 1055 | G | 39.9 | Very low | 37.9 | Very low | 59 Ų | 59 | 113.3 Ų | 113.3 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 155.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1056 | E | 34.9 | Very low | 37.6 | Very low | 102 Ų | 102 | 112.5 Ų | 112.5 | 48% | 0.477 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 148.4 | -176.7 | -65 | 167.8 | 114 | 0 | 0 | 113.4 | P514 | P514-E1056 VanDerWaalsContact CD-O 3.27Å; P514-E1056 WeakPolarHBondContact CD-O 3.28Å; P514-E1056 VanDerWaalsContact CG-O 3.29Å; P514-E1056 WeakPolarHBondContact CG-O 3.34Å |
| 1057 | P | 45 | Very low | 37.9 | Very low | 92 Ų | 92 | 112.6 Ų | 112.6 | 60% | 0.597 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 137.3 | 164.4 | -2.4 | 21.7 | 0 | 0 | 0 | 111.7 | | |
| 1058 | G | 38.6 | Very low | 37.5 | Very low | 48 Ų | 48 | 111.4 Ų | 111.4 | 50% | 0.495 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 150.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1059 | R | 37.8 | Very low | 37.3 | Very low | 159 Ų | 159 | 115 Ų | 115 | 60% | 0.6 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 154.4 | -172.8 | -70.4 | -179.4 | 162.4 | -133.1 | -13 | 114.6 | E511 | E511-R1059 VanDerWaalsContact O-CD 3.31Å; E511-R1059 WeakPolarHBondContact O-CD 3.49Å; E511-R1059 PolarHBondContact O-NE 3.43Å; E511-R1059 IonicContact OE2-CZ 3.73Å; E511-R1059 IonicContact OE2-NE 3.89Å; E511-R1059 IonicContact OE2-NH2 3.79Å; E511-R1059 PolarHBondContact OE2-NH2 3.29Å |
| 1060 | S | 36.1 | Very low | 37.5 | Very low | 110 Ų | 110 | 114.9 Ų | 114.9 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 147.4 | 166.7 | -41.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1061 | A | 37.1 | Very low | 37.5 | Very low | 101 Ų | 101 | 115.2 Ų | 115.2 | 84% | 0.835 | 70% | 0.704 | S | S | * | * | | | | 56.3 | 140.5 | 71.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1062 | A | 37.5 | Very low | 37.1 | Very low | 81 Ų | 81 | 116.2 Ų | 116.2 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | | | cis | -142.7 | -167.4 | -0.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1063 | D | 36.7 | Very low | 36.8 | Very low | 166 Ų | 166 | 117.3 Ų | 117.3 | 89% | 0.888 | 72% | 0.722 | S | S | * | * | | | cis | -154.9 | 159.5 | 39 | -86.8 | -55.3 | 0 | 0 | 0 | 111.6 | | |
| 1064 | G | 37.2 | Very low | 36.8 | Very low | 68 Ų | 68 | 117.2 Ų | 117.2 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | | | cis | 164.6 | 168.7 | -6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1065 | A | 35.3 | Very low | 36.8 | Very low | 106 Ų | 106 | 116.5 Ų | 116.5 | 88% | 0.876 | 74% | 0.735 | S | S | * | * | | | trans | -158.1 | 131.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1066 | K | 34.6 | Very low | 36.6 | Very low | 193 Ų | 193 | 117.4 Ų | 117.4 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | | | trans | -94.5 | 120.2 | -178.1 | -178 | -173.9 | 173.3 | -169 | 0 | 110.4 | | |
| 1067 | G | 40.3 | Very low | 36.5 | Very low | 71 Ų | 71 | 121.1 Ų | 121.1 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | | | trans | -151 | 137.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1068 | E | 33.2 | Very low | 36.1 | Very low | 161 Ų | 161 | 126.5 Ų | 126.5 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -97.6 | 132.1 | -151.9 | -55.4 | -167.9 | 134.4 | 0 | 0 | 116.5 | | |
| 1069 | K | 33.1 | Very low | 36.2 | Very low | 197 Ų | 197 | 127.4 Ų | 127.4 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | | 54.1 | 110.9 | 125 | -166.7 | -176.6 | -178.6 | -176.1 | 0 | 120.6 | | |
| 1070 | G | 38 | Very low | 36 | Very low | 68 Ų | 68 | 123.6 Ų | 123.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | 158.9 | 90.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1071 | Q | 30.6 | Very low | 36.4 | Very low | 180 Ų | 180 | 122.9 Ų | 122.9 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | | | | 55.1 | 140.2 | 83.6 | -69.5 | -166.4 | -7.1 | 0 | 0 | 115.4 | | |
| 1072 | P | 38.4 | Very low | 36.7 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | cis | -123.2 | 167.5 | -21.7 | 37.6 | -22.2 | 0 | 0 | 0 | 113.1 | | |
| 1073 | G | 33.5 | Very low | 36.9 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | trans | -96.5 | 165.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1074 | L | 32.1 | Very low | 37.3 | Very low | 170 Ų | 170 | 121.4 Ų | 121.4 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | | | trans | -167.9 | 161.7 | 168.3 | -107 | 171.4 | 0 | 0 | 0 | 109 | | |
| 1075 | P | 43.8 | Very low | 37.5 | Very low | 118 Ų | 118 | 120 Ų | 120 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | | | | -107.9 | 157.3 | -86.8 | 36.4 | -28 | 0 | 0 | 0 | 114.4 | | |
| 1076 | G | 34.4 | Very low | 37.4 | Very low | 78 Ų | 78 | 118.6 Ų | 118.6 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | | | trans | -86.2 | 147.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | R1078 | G1076-R1078 PolarHBondContact O-N 3.32Š|
| 1077 | L | 32.5 | Very low | 37.8 | Very low | 180 Ų | 180 | 114.2 Ų | 114.2 | 94% | 0.942 | 73% | 0.725 | S | S | * | * | | | trans | -79.3 | 79.8 | 169.3 | -86.3 | 169.5 | 0 | 0 | 0 | 112.4 | G1079 | L1077-G1079 PolarHBondContact O-N 3.49Š|
| 1078 | R | 36.5 | Very low | 37.8 | Very low | 205 Ų | 205 | 114 Ų | 114 | 77% | 0.774 | 72% | 0.722 | S | S | * | * | | | trans | 40.9 | 53.9 | 136.1 | -159.3 | 175.4 | 178.3 | 152.3 | -3 | 117.6 | G1076 | G1076-R1078 PolarHBondContact O-N 3.32Š|
| 1079 | G | 41 | Very low | 38.2 | Very low | 66 Ų | 66 | 115.1 Ų | 115.1 | 68% | 0.68 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 137.8 | 152.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L1077 P1081 | L1077-G1079 PolarHBondContact O-N 3.49Å; G1079-P1081 WeakPolarHBondContact O-CD 3.41Å |
| 1080 | L | 35 | Very low | 38.3 | Very low | 79 Ų | 79 | 115.2 Ų | 115.2 | 41% | 0.414 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -76 | 125.9 | -173 | -64.2 | 179.5 | 0 | 0 | 0 | 111.4 | K182 G1082 | K182-L1080 HydrophobicContact CB-CD1 4.4Å; K182-L1080 HydrophobicContact CB-CD2 3.78Å; K182-L1080 HydrophobicContact CD-CD2 4.15Å; K182-L1080 HydrophobicContact CG-CD2 3.97Å; L1080-G1082 PolarHBondContact O-N 2.8Å |
| 1081 | P | 44.7 | Very low | 38.3 | Very low | 95 Ų | 95 | 114.8 Ų | 114.8 | 62% | 0.617 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 132 | 176.2 | -23.5 | 34.2 | 0 | 0 | 0 | 112.4 | G1079 | G1079-P1081 WeakPolarHBondContact O-CD 3.41Š|
| 1082 | G | 43.1 | Very low | 39.3 | Very low | 60 Ų | 60 | 112.2 Ų | 112.2 | 62% | 0.619 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 164.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1080 | L1080-G1082 PolarHBondContact O-N 2.8Š|
| 1083 | P | 40.3 | Very low | 39.3 | Very low | 128 Ų | 128 | 112.2 Ų | 112.2 | 83% | 0.831 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -64 | 143.7 | -172.5 | 25.2 | -34 | 0 | 0 | 0 | 112.8 | | |
| 1084 | P | 46.8 | Very low | 39.8 | Very low | 129 Ų | 129 | 112.2 Ų | 112.2 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 140.3 | 173.2 | -19.9 | 32.3 | 0 | 0 | 0 | 112.5 | | |
| 1085 | G | 41.1 | Very low | 40.1 | Very low | 38 Ų | 38 | 110 Ų | 110 | 39% | 0.392 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -84.7 | 164.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1053 | E1053-G1085 WeakPolarHBondContact O-CA 3.24Š|
| 1086 | M | 32.8 | Very low | 39.8 | Very low | 78 Ų | 78 | 114.1 Ų | 114.1 | 38% | 0.384 | 73% | 0.732 | S | S | . | * | | | trans | -43.5 | 143.9 | -179.4 | -92.8 | 174.9 | -166.1 | 0 | 0 | 115.3 | P1051 G1052 E1053 K1054 | P1051-M1086 HydrophobicContact CB-CG 4.22Å; P1051-M1086 VanDerWaalsContact O-CE 3.25Å; P1051-M1086 WeakPolarHBondContact O-CE 3.34Å; G1052-M1086 WeakPolarHBondContact O-CG 3.39Å; G1052-M1086 PolarHBondContact O-N 2.88Å; E1053-M1086 HydrophobicContact CB-SD 4.41Å; E1053-M1086 HydrophobicContact CG-CE 4.06Å; E1053-M1086 HydrophobicContact CG-SD 3.81Å; K1054-M1086 HydrophobicContact CB-CB 4.42Å; K1054-M1086 WeakPolarHBondContact CB-O 3.47Å |
| 1087 | A | 41.7 | Very low | 40.1 | Very low | 101 Ų | 101 | 114 Ų | 114 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 131.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1088 | G | 40.4 | Very low | 40.1 | Very low | 65 Ų | 65 | 115.1 Ų | 115.1 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 144.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1089 | L | 42.6 | Very low | 40.4 | Very low | 186 Ų | 186 | 111.9 Ų | 111.9 | 97% | 0.974 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 151.1 | 169.3 | -78.1 | 161.4 | 0 | 0 | 0 | 111.1 | | |
| 1090 | Q | 35.1 | Very low | 40.3 | Very low | 198 Ų | 198 | 112.3 Ų | 112.3 | 93% | 0.925 | 74% | 0.739 | S | S | * | * | | | trans | -134.6 | 134 | 165.9 | -174.7 | 176.1 | 29.2 | 0 | 0 | 111.7 | | |
| 1091 | G | 38.4 | Very low | 40.6 | Very low | 60 Ų | 60 | 115.9 Ų | 115.9 | 62% | 0.619 | 76% | 0.763 | S | S | * | * | | | trans | 87.5 | 82.7 | 136.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1092 | P | 51 | Low | 40.1 | Very low | 125 Ų | 125 | 114.1 Ų | 114.1 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | trans | -80.6 | 150.7 | 159 | 35.1 | -33.3 | 0 | 0 | 0 | 111.6 | | |
| 1093 | P | 39.3 | Very low | 39.7 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -94 | 137.5 | 152.6 | -9.9 | 28.6 | 0 | 0 | 0 | 111.3 | | |
| 1094 | G | 44.2 | Very low | 40 | Very low | 72 Ų | 72 | 122.3 Ų | 122.3 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | -84.8 | -141.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1095 | P | 37.1 | Very low | 39.6 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | cis | -139.8 | -173.2 | 1.2 | 43.4 | -26.5 | 0 | 0 | 0 | 114.2 | | |
| 1096 | K | 38.1 | Very low | 39.2 | Very low | 205 Ų | 205 | 126.1 Ų | 126.1 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | | -177.3 | 136.2 | 116.2 | -110.8 | -175.6 | 175 | -178.8 | 0 | 116 | | |
| 1097 | G | 41.4 | Very low | 39.9 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | | 85.8 | 104.6 | 119.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1098 | E | 30.7 | Very low | 39.6 | Very low | 204 Ų | 204 | 127.1 Ų | 127.1 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | | | trans | -84.3 | 172.8 | 173.9 | -67.7 | 167.3 | 110.3 | 0 | 0 | 113.8 | | |
| 1099 | T | 42.7 | Very low | 39.3 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 84% | 0.84 | 83% | 0.827 | S | S | * | * | | | trans | -100.2 | 162.9 | -167.7 | 49.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1100 | G | 39.6 | Very low | 38.7 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | | | trans | -130.9 | 156.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1101 | V | 41.1 | Very low | 38.8 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 93% | 0.927 | 82% | 0.819 | S | S | * | * | | | trans | -138.7 | 145.7 | -162.4 | -178.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1102 | G | 35.4 | Very low | 38.8 | Very low | 58 Ų | 58 | 137.4 Ų | 137.4 | 60% | 0.598 | 83% | 0.831 | S | S | * | * | | | trans | 164.6 | 142 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1103 | Y | 34.1 | Very low | 38.2 | Very low | 234 Ų | 234 | 137.5 Ų | 137.5 | 92% | 0.918 | 83% | 0.832 | S | S | * | * | | | cis | -141.1 | 169 | 13.8 | -86 | -93.6 | 0 | 0 | 0 | 111.7 | | |
| 1104 | P | 46.4 | Very low | 37.9 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | trans | -99 | 165.9 | -169.5 | 38.4 | -35.7 | 0 | 0 | 0 | 116.2 | | |
| 1105 | G | 39 | Very low | 37.7 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | | | trans | -147.5 | 156.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1106 | L | 31.8 | Very low | 37.6 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | | | trans | -120.3 | 170.2 | -163.6 | -83.4 | 170.2 | 0 | 0 | 0 | 113.7 | | |
| 1107 | P | 48.2 | Very low | 37.4 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | | | trans | -115 | 171.1 | -133 | 42.5 | -38.4 | 0 | 0 | 0 | 117.3 | | |
| 1108 | G | 34.6 | Very low | 37.1 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | | | trans | -170.7 | 81.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1109 | R | 34.1 | Very low | 37.7 | Very low | 250 Ų | 250 | 128.2 Ų | 128.2 | 94% | 0.943 | 82% | 0.82 | S | S | * | * | | | trans | 41.5 | 131.5 | 145.4 | -87.1 | -175.7 | 166.2 | -170.9 | -4.1 | 124.5 | | |
| 1110 | K | 30.4 | Very low | 37.3 | Very low | 211 Ų | 211 | 125 Ų | 125 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | | | trans | 87.8 | 122.6 | 132.6 | -166.4 | 180 | -177.7 | -176.3 | 0 | 119.4 | | |
| 1111 | G | 38.2 | Very low | 37.1 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | | | trans | 173.2 | 46.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1112 | E | 38.6 | Very low | 36.8 | Very low | 188 Ų | 188 | 127.5 Ų | 127.5 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | -70.6 | 160 | 159.4 | -68.2 | -179 | 123.4 | 0 | 0 | 109.9 | | |
| 1113 | P | 37.4 | Very low | 36.7 | Very low | 127 Ų | 127 | 126 Ų | 126 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | cis | -150 | 172.7 | 31.8 | 42.7 | -22.3 | 0 | 0 | 0 | 119.7 | | |
| 1114 | G | 33 | Very low | 36.5 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | | 92.7 | 102.1 | 126 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1115 | A | 39.9 | Very low | 36.1 | Very low | 98 Ų | 98 | 120.8 Ų | 120.8 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 45.4 | 144.5 | 130.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1116 | P | 34.8 | Very low | 36.2 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | cis | -151.5 | 175.5 | 44.3 | 42.7 | -22.6 | 0 | 0 | 0 | 118.5 | | |
| 1117 | G | 34.1 | Very low | 36.5 | Very low | 70 Ų | 70 | 118.2 Ų | 118.2 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | | | trans | 76.8 | 116.7 | 141.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | P1119 | G1117-P1119 WeakPolarHBondContact O-CD 3.17Š|
| 1118 | S | 35.6 | Very low | 35.9 | Very low | 118 Ų | 118 | 117.5 Ų | 117.5 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | | | trans | -85.8 | 119.8 | 173.2 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1119 | P | 43.3 | Very low | 36.3 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | | | trans | -80.3 | 136.7 | 159.4 | -4.5 | 24.3 | 0 | 0 | 0 | 109.5 | G1117 | G1117-P1119 WeakPolarHBondContact O-CD 3.17Š|
| 1120 | G | 33.3 | Very low | 36.4 | Very low | 68 Ų | 68 | 111 Ų | 111 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | | | trans | -104.1 | 158.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1121 | L | 35.7 | Very low | 36.9 | Very low | 159 Ų | 159 | 108.9 Ų | 108.9 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | | | trans | 69.8 | 138.9 | 169 | -62.3 | 165.6 | 0 | 0 | 0 | 114.8 | | |
| 1122 | P | 36.2 | Very low | 36.9 | Very low | 123 Ų | 123 | 107.9 Ų | 107.9 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | | | | -123.1 | 167.6 | 52.1 | 16.6 | 6.3 | 0 | 0 | 0 | 115.9 | | |
| 1123 | G | 33.1 | Very low | 37.1 | Very low | 25 Ų | 25 | 105.1 Ų | 105.1 | 26% | 0.258 | 72% | 0.717 | S | S | . | * | | | trans | -98.3 | -173.1 | 166 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1124 | L | 30.1 | Very low | 37.3 | Very low | 100 Ų | 100 | 104.9 Ų | 104.9 | 52% | 0.524 | 72% | 0.715 | S | S | . | * | | | trans | 72.7 | 139.7 | -170.6 | -44.4 | 166.8 | 0 | 0 | 0 | 111.9 | I252 G253 | I252-L1124 HydrophobicContact CB-CD2 3.86Å; I252-L1124 HydrophobicContact CG2-CD2 4.33Å; I252-L1124 WeakPolarHBondContact O-CD2 3.23Å; G253-L1124 PolarHBondContact O-N 3.34Å |
| 1125 | Q | 36.5 | Very low | 37.3 | Very low | 151 Ų | 151 | 104.8 Ų | 104.8 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | | | cis | -159.8 | 95.3 | 22.6 | -169.3 | -179.6 | 3.5 | 0 | 0 | 114.4 | I252 | I252-Q1125 HydrophobicContact CD1-CB 4.45Å; I252-Q1125 HydrophobicContact CD1-CG 3.51Å; I252-Q1125 HydrophobicContact CG1-CG 4.1Å |
| 1126 | G | 41.8 | Very low | 37.1 | Very low | 64 Ų | 64 | 109.9 Ų | 109.9 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -112.4 | 117.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114 | I252 | I252-G1126 VanDerWaalsContact CG1-C 3.46Å; I252-G1126 WeakPolarHBondContact CG1-O 3.33Å |
| 1127 | L | 37.8 | Very low | 37.4 | Very low | 131 Ų | 131 | 109.4 Ų | 109.4 | 69% | 0.686 | 72% | 0.716 | S | S | * | * | | | trans | -79.5 | 127.4 | -154.5 | -71.9 | 141.3 | 0 | 0 | 0 | 118.4 | I252 | I252-L1127 HydrophobicContact CD1-CD2 3.91Å; I252-L1127 HydrophobicContact CD1-CG 4.07Å |
| 1128 | K | 36.5 | Very low | 37.6 | Very low | 109 Ų | 109 | 110 Ų | 110 | 47% | 0.474 | 72% | 0.721 | S | S | . | * | | | trans | 24.9 | 106.3 | 145 | -164.6 | -159 | -156.8 | 141.2 | 0 | 120 | I249 G250 S251 | I249-K1128 HydrophobicContact CG2-CD 4.15Å; G250-K1128 WeakPolarHBondContact O-CD 3.26Å; G250-K1128 WeakPolarHBondContact O-CE 3.46Å; G250-K1128 VanDerWaalsContact O-CG 3.25Å; G250-K1128 WeakPolarHBondContact O-CG 3.35Å; G250-K1128 PolarHBondContact O-NZ 3.2Å; S251-K1128 PolarHBondContact O-N 2.81Å |
| 1129 | G | 42.5 | Very low | 37.4 | Very low | 76 Ų | 76 | 109.4 Ų | 109.4 | 78% | 0.784 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -91 | 150.6 | 149.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1130 | S | 35.3 | Very low | 36.9 | Very low | 112 Ų | 112 | 112.7 Ų | 112.7 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 148.3 | -178.7 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | G1132 | S1130-G1132 PolarHBondContact O-N 2.92Š|
| 1131 | L | 41 | Very low | 37.1 | Very low | 166 Ų | 166 | 112.7 Ų | 112.7 | 87% | 0.869 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 128.2 | -175.6 | -72.5 | 71.2 | 0 | 0 | 0 | 113.4 | | |
| 1132 | G | 38.9 | Very low | 36.8 | Very low | 56 Ų | 56 | 109.4 Ų | 109.4 | 58% | 0.577 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 142.6 | 137.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S1130 P1134 | S1130-G1132 PolarHBondContact O-N 2.92Å; G1132-P1134 WeakPolarHBondContact O-CD 3.27Å |
| 1133 | P | 42.4 | Very low | 37.5 | Very low | 131 Ų | 131 | 107.9 Ų | 107.9 | 85% | 0.851 | 72% | 0.719 | S | S | * | * | | | trans | -85.3 | 114.5 | -167.5 | 31.3 | -34.4 | 0 | 0 | 0 | 113.9 | | |
| 1134 | P | 40.9 | Very low | 37.7 | Very low | 121 Ų | 121 | 109 Ų | 109 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | | | trans | -106.3 | 123 | 177.6 | 12.8 | 10.6 | 0 | 0 | 0 | 111.4 | G1132 | G1132-P1134 WeakPolarHBondContact O-CD 3.27Š|
| 1135 | G | 35 | Very low | 37.8 | Very low | 68 Ų | 68 | 111.1 Ų | 111.1 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | | | trans | 58.6 | 121.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | P1137 | G1135-P1137 WeakPolarHBondContact O-CD 3.37Š|
| 1136 | F | 34.5 | Very low | 38.4 | Very low | 205 Ų | 205 | 111.7 Ų | 111.7 | 90% | 0.899 | 75% | 0.749 | S | S | * | * | | | trans | -94.2 | 105.5 | 148 | -83.9 | -89.5 | 0 | 0 | 0 | 109.9 | | |
| 1137 | P | 41.2 | Very low | 38.2 | Very low | 118 Ų | 118 | 112.3 Ų | 112.3 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | trans | -123.3 | 146.8 | 152.9 | 7.6 | 14.7 | 0 | 0 | 0 | 113.2 | G1135 | G1135-P1137 WeakPolarHBondContact O-CD 3.37Š|
| 1138 | G | 38 | Very low | 38.2 | Very low | 81 Ų | 81 | 114.2 Ų | 114.2 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | | | trans | 78.8 | 74.4 | 144 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1139 | A | 32.8 | Very low | 38.9 | Very low | 107 Ų | 107 | 114.5 Ų | 114.5 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | | | trans | -98.6 | 84.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1140 | K | 32.1 | Very low | 38.7 | Very low | 196 Ų | 196 | 114.4 Ų | 114.4 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | | | trans | -168.7 | 149.3 | 153.2 | -137.7 | 140 | -176.7 | 169.8 | 0 | 110.4 | | |
| 1141 | G | 36.8 | Very low | 38.8 | Very low | 68 Ų | 68 | 115.8 Ų | 115.8 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | cis | -165.2 | -159.1 | 6.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1142 | A | 30.3 | Very low | 39.2 | Very low | 90 Ų | 90 | 114.1 Ų | 114.1 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | | | trans | -76.1 | 160.2 | -162.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | K700 | K700-A1142 PolarHBondContact NZ-O 3.28Š|
| 1143 | A | 50.4 | Low | 39.3 | Very low | 91 Ų | 91 | 114.9 Ų | 114.9 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | -67.6 | -178.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | K700 | K700-A1143 PolarHBondContact NZ-O 3.22Š|
| 1144 | G | 37.7 | Very low | 39 | Very low | 49 Ų | 49 | 118.5 Ų | 118.5 | 51% | 0.505 | 79% | 0.794 | S | S | . | * | | | trans | -145 | 126.6 | 150 | 0 | 0 | 0 | 0 | 0 | 105.1 | | |
| 1145 | L | 32.7 | Very low | 38.9 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | | | | 75.8 | 121.8 | 80.1 | -71.8 | 176 | 0 | 0 | 0 | 112.8 | | |
| 1146 | D | 47.1 | Very low | 39.3 | Very low | 163 Ų | 163 | 121.8 Ų | 121.8 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | -86.9 | 160.5 | -166.4 | -56 | -70.2 | 0 | 0 | 0 | 114.8 | | |
| 1147 | G | 39.5 | Very low | 39.3 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -110.1 | 133.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1148 | L | 36.4 | Very low | 39 | Very low | 171 Ų | 171 | 120 Ų | 120 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 166.9 | -174.8 | -80.1 | 171 | 0 | 0 | 0 | 113.3 | | |
| 1149 | P | 51 | Low | 39.1 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -100 | 172.4 | -146.3 | 38.8 | -39.3 | 0 | 0 | 0 | 117.2 | | |
| 1150 | G | 38.8 | Very low | 39.1 | Very low | 74 Ų | 74 | 124.3 Ų | 124.3 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 167.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1151 | V | 37.5 | Very low | 39.8 | Very low | 141 Ų | 141 | 120.8 Ų | 120.8 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | | | trans | -121.4 | 150.8 | -158.1 | -179.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1152 | P | 50 | Low | 39.9 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -96.5 | 169.9 | -159.2 | -4.9 | 25.6 | 0 | 0 | 0 | 118.4 | | |
| 1153 | G | 40.5 | Very low | 40.1 | Very low | 72 Ų | 72 | 125.1 Ų | 125.1 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | trans | -174.9 | 154.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1154 | Q | 36.6 | Very low | 39.2 | Very low | 208 Ų | 208 | 129.4 Ų | 129.4 | 97% | 0.972 | 79% | 0.787 | S | S | * | * | | | cis | -137.5 | -163.8 | -4.5 | -70.9 | -171.2 | -13 | 0 | 0 | 110.3 | | |
| 1155 | K | 39 | Very low | 39.2 | Very low | 196 Ų | 196 | 130.8 Ų | 130.8 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | | | trans | -139.2 | 140.9 | -162 | -173.6 | -175.8 | -178.6 | -174.1 | 0 | 114.5 | | |
| 1156 | G | 42.4 | Very low | 39.7 | Very low | 62 Ų | 62 | 132.2 Ų | 132.2 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | | | trans | -175.1 | 119.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1157 | L | 34 | Very low | 39.4 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 70% | 0.696 | 81% | 0.806 | S | S | * | * | | | | 67.5 | 126.9 | 56.9 | -54.8 | 169.7 | 0 | 0 | 0 | 112.2 | | |
| 1158 | D | 35.3 | Very low | 39.2 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | cis | -162.5 | 163.3 | -12.3 | -106.5 | -16.3 | 0 | 0 | 0 | 109.2 | | |
| 1159 | G | 40.1 | Very low | 39.6 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | 170.3 | 92.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1160 | F | 33.2 | Very low | 39.1 | Very low | 206 Ų | 206 | 133.3 Ų | 133.3 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | | | trans | -132.1 | 171.7 | 166.4 | -79.7 | -83.3 | 0 | 0 | 0 | 108.3 | | |
| 1161 | P | 47.2 | Very low | 39.1 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | | | cis | -137.6 | 177.9 | -40 | 38.9 | -23.2 | 0 | 0 | 0 | 114.3 | | |
| 1162 | G | 39.3 | Very low | 39.4 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | trans | 116.2 | 169.4 | 147.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1163 | Q | 33.3 | Very low | 38.7 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | | | cis | -164.5 | 148.8 | -26.4 | -145.6 | -169.7 | 80.5 | 0 | 0 | 112.8 | | |
| 1164 | K | 32.4 | Very low | 38.7 | Very low | 181 Ų | 181 | 135.1 Ų | 135.1 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | | | trans | 72.5 | 136 | 150.9 | -164.8 | 170.4 | -175.5 | 174.6 | 0 | 120.7 | | |
| 1165 | G | 38.2 | Very low | 39.4 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | | | trans | -178.4 | 69.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1166 | E | 42.5 | Very low | 39.9 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | trans | -108.3 | 141.2 | 163.4 | -63.4 | -179.7 | 119.8 | 0 | 0 | 107.9 | | |
| 1167 | P | 39.4 | Very low | 39.6 | Very low | 139 Ų | 139 | 129 Ų | 129 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | | | | -146.7 | 171.9 | 80.6 | 36 | -17 | 0 | 0 | 0 | 115.1 | | |
| 1168 | G | 36.5 | Very low | 40.2 | Very low | 68 Ų | 68 | 130.6 Ų | 130.6 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | | | cis | 169.1 | -175.1 | -5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1169 | F | 45.4 | Very low | 41 | Very low | 212 Ų | 212 | 129.4 Ų | 129.4 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | | | trans | -86.9 | 151.2 | 171.7 | -67.7 | -99.8 | 0 | 0 | 0 | 110.7 | | |
| 1170 | P | 40.2 | Very low | 40.7 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | | -145.6 | 156.1 | 101.9 | 37.5 | -23.1 | 0 | 0 | 0 | 115.2 | | |
| 1171 | G | 37.4 | Very low | 41.2 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | 175.6 | 54.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1172 | I | 44.7 | Very low | 40.8 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | | | trans | -111.3 | 90.5 | -170.5 | -48.9 | 174.5 | 0 | 0 | 0 | 111.6 | | |
| 1173 | V | 35.6 | Very low | 40.7 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | trans | -153.4 | 130.6 | 159.9 | -171.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1174 | G | 40.2 | Very low | 40.6 | Very low | 61 Ų | 61 | 130.4 Ų | 130.4 | 63% | 0.629 | 82% | 0.817 | S | S | * | * | | | cis | 177.3 | 151 | -10.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1175 | P | 52.3 | Low | 40.5 | Very low | 129 Ų | 129 | 131 Ų | 131 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | | | trans | -80.1 | 170.9 | 166.3 | 35.8 | -35.2 | 0 | 0 | 0 | 110.9 | | |
| 1176 | P | 48.2 | Very low | 40.5 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | | | cis | -119.9 | 177.2 | 0.6 | 40.9 | -28.1 | 0 | 0 | 0 | 114 | | |
| 1177 | G | 37.5 | Very low | 40.3 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | trans | -162.1 | 46.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1178 | L | 45.5 | Very low | 40.2 | Very low | 166 Ų | 166 | 128.5 Ų | 128.5 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | | | trans | -113.7 | 159.2 | 164.4 | -71.5 | 175 | 0 | 0 | 0 | 108.5 | | |
| 1179 | P | 52.1 | Low | 40 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | cis | -133 | 163.3 | -23.1 | 36.2 | -20.1 | 0 | 0 | 0 | 113.9 | | |
| 1180 | G | 34.6 | Very low | 39.6 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | | | trans | 163.2 | 146 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1181 | E | 42.2 | Very low | 39.5 | Very low | 205 Ų | 205 | 132 Ų | 132 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | | | cis | -120.5 | 175.4 | 3.6 | -71.7 | -162.3 | 109.7 | 0 | 0 | 113.6 | | |
| 1182 | K | 40.1 | Very low | 39.6 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 79% | 0.787 | 81% | 0.814 | S | S | * | * | | | trans | -125.9 | 120.9 | -177.9 | 167.6 | -168.4 | 172.5 | -173.1 | 0 | 109.5 | N1184 | K1182-N1184 WeakPolarHBondContact CE-ND2 3.43Š|
| 1183 | G | 36.8 | Very low | 39.2 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | trans | -166.8 | 99 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1184 | N | 30.1 | Very low | 39.4 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | cis | 64.1 | 91.8 | 35.6 | -76.5 | 22.6 | 0 | 0 | 0 | 114.8 | K1182 | K1182-N1184 WeakPolarHBondContact CE-ND2 3.43Š|
| 1185 | M | 31.5 | Very low | 39.5 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 96% | 0.961 | 82% | 0.815 | S | S | * | * | | | | -173.7 | 134.8 | 126.9 | -162.5 | 148.7 | 56.4 | 0 | 0 | 109.8 | | |
| 1186 | G | 36.9 | Very low | 38.7 | Very low | 70 Ų | 70 | 132.1 Ų | 132.1 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | cis | -162.9 | 150.7 | -6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1187 | V | 38.9 | Very low | 38 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | | | trans | -80.8 | 144.1 | 168.2 | -171.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1188 | P | 37.7 | Very low | 38.1 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | | -154.3 | 173.5 | 53.4 | 42.2 | -20.6 | 0 | 0 | 0 | 120.1 | | |
| 1189 | G | 33.2 | Very low | 37.4 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | | | trans | 104.7 | 139.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1190 | I | 36.8 | Very low | 37.3 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | | | cis | -150.7 | 140.9 | -0.5 | 29.3 | 172 | 0 | 0 | 0 | 112.2 | | |
| 1191 | R | 37.3 | Very low | 37.2 | Very low | 239 Ų | 239 | 134.2 Ų | 134.2 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | 11.9 | 136.8 | 145.1 | -164.4 | 178.6 | -166.5 | 161.3 | 3.1 | 119.6 | | |
| 1192 | G | 40 | Very low | 36.7 | Very low | 61 Ų | 61 | 136.2 Ų | 136.2 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | | | cis | 168.4 | -167.7 | 0.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1193 | D | 35.8 | Very low | 37.3 | Very low | 157 Ų | 157 | 134 Ų | 134 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | | | trans | 67.2 | 140.4 | 173.7 | -51 | -12.5 | 0 | 0 | 0 | 115.2 | | |
| 1194 | K | 39.9 | Very low | 37.4 | Very low | 202 Ų | 202 | 133.6 Ų | 133.6 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | | | cis | -162.8 | 142.7 | 4.1 | -161.4 | 174.6 | -179.6 | 177.6 | 0 | 105.5 | | |
| 1195 | G | 42 | Very low | 37.6 | Very low | 70 Ų | 70 | 131.9 Ų | 131.9 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | | | cis | 97 | 121.3 | 35.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1196 | A | 35.3 | Very low | 38.5 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | cis | -163.7 | -176.3 | -2.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1197 | D | 33.9 | Very low | 38.4 | Very low | 168 Ų | 168 | 129 Ų | 129 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | | | trans | -67.3 | 176.2 | -176.1 | -43.4 | -92.9 | 0 | 0 | 0 | 116 | | |
| 1198 | G | 39.5 | Very low | 38.1 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | | | cis | 153.7 | 172.8 | -8.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 1199 | L | 31.8 | Very low | 38 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 94% | 0.937 | 82% | 0.824 | S | S | * | * | | | trans | 67.5 | 161.8 | 160.6 | -67.7 | 176.8 | 0 | 0 | 0 | 121.2 | | |
| 1200 | P | 49 | Very low | 38.8 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | | | trans | -111.4 | 170.5 | -152.8 | 42.2 | -36.9 | 0 | 0 | 0 | 117.4 | | |
| 1201 | G | 33.2 | Very low | 38.6 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | | | trans | -152.8 | 163.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1202 | R | 32.1 | Very low | 39.2 | Very low | 247 Ų | 247 | 128.4 Ų | 128.4 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | | | trans | -87.2 | 166.2 | -179.8 | -96.7 | -177.7 | 171.7 | -173.4 | -1.8 | 113.1 | | |
| 1203 | P | 52.4 | Low | 39.9 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | | | trans | -66 | 137.5 | 177.1 | -19.5 | 32.4 | 0 | 0 | 0 | 114.6 | | |
| 1204 | G | 38.5 | Very low | 40.3 | Very low | 68 Ų | 68 | 130.3 Ų | 130.3 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | | | trans | -120 | 134.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1205 | A | 33.6 | Very low | 40.7 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | | | | 72.3 | 92.4 | 77.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1206 | P | 51.4 | Low | 40.8 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | | | trans | -76.6 | 141.6 | 176.4 | 31.9 | -34 | 0 | 0 | 0 | 111.5 | | |
| 1207 | G | 34.1 | Very low | 40.4 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 84% | 0.838 | S | S | * | * | | | trans | -179.7 | 93.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1208 | M | 32.3 | Very low | 40.6 | Very low | 189 Ų | 189 | 135.3 Ų | 135.3 | 93% | 0.931 | 84% | 0.839 | S | S | * | * | | | trans | 72 | 118.8 | 147.3 | -52.5 | 173.5 | 71.9 | 0 | 0 | 119.2 | | |
| 1209 | D | 36.7 | Very low | 40.3 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | | | trans | -67.3 | 157.3 | 164 | -40.1 | -93.2 | 0 | 0 | 0 | 111.3 | | |
| 1210 | G | 49.9 | Very low | 40.8 | Very low | 65 Ų | 65 | 136 Ų | 136 | 67% | 0.67 | 83% | 0.831 | S | S | * | * | | | cis | 176.3 | 155.2 | -2.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1211 | L | 31.5 | Very low | 40.3 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 94% | 0.937 | 83% | 0.833 | S | S | * | * | | | trans | -138.7 | 144.9 | -168.6 | -66 | 172.3 | 0 | 0 | 0 | 114.6 | | |
| 1212 | P | 50.9 | Low | 40.5 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | | | trans | -103 | 171.9 | -168.8 | 6.8 | 17.5 | 0 | 0 | 0 | 114.8 | | |
| 1213 | G | 53.3 | Low | 40.5 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | | | trans | -117.6 | 179.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1214 | L | 45.1 | Very low | 40.2 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 98% | 0.984 | 83% | 0.825 | S | S | * | * | | | trans | 60.3 | 142.1 | -168.1 | -85.2 | 170.9 | 0 | 0 | 0 | 115.2 | | |
| 1215 | K | 48 | Very low | 40.1 | Very low | 213 Ų | 213 | 132.2 Ų | 132.2 | 93% | 0.926 | 83% | 0.827 | S | S | * | * | | | trans | -127.8 | 105.7 | -177.9 | -179 | -175.3 | 175.5 | -175.6 | 0 | 110.3 | | |
| 1216 | G | 44.7 | Very low | 39.9 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | | | trans | 170.2 | 122.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1217 | E | 27.5 | Very low | 39 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | S | Bend | cis | -142.9 | 135.3 | -10.3 | -75.4 | -163.7 | 135.7 | 0 | 0 | 111.1 | | |
| 1218 | I | 37.8 | Very low | 39 | Very low | 178 Ų | 178 | 131.6 Ų | 131.6 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | | | trans | 62.6 | 136.3 | 166 | -55.6 | 174.9 | 0 | 0 | 0 | 116.9 | | |
| 1219 | G | 32 | Very low | 39 | Very low | 55 Ų | 55 | 131.9 Ų | 131.9 | 57% | 0.567 | 83% | 0.833 | S | S | * | * | | | trans | 110.8 | 129.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1220 | F | 42.6 | Very low | 39.1 | Very low | 206 Ų | 206 | 129.6 Ų | 129.6 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | | | cis | 59.2 | 132.8 | 10.2 | -56.7 | -80 | 0 | 0 | 0 | 114.2 | | |
| 1221 | P | 39.7 | Very low | 38.3 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 84% | 0.844 | 83% | 0.829 | S | S | * | * | | | | -124.6 | 164.1 | -81.8 | 38.3 | -28.8 | 0 | 0 | 0 | 114.9 | | |
| 1222 | G | 37.5 | Very low | 38.6 | Very low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | | | trans | 94.5 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1223 | L | 31.2 | Very low | 37.8 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | | | cis | -161.1 | 168.5 | -15.3 | -101.8 | 166 | 0 | 0 | 0 | 106.6 | | |
| 1224 | P | 46 | Very low | 37.1 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | | | trans | -86.8 | 158.9 | -164.8 | 34.8 | -37.6 | 0 | 0 | 0 | 115.9 | | |
| 1225 | G | 36.6 | Very low | 37 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | trans | -173 | 124.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1226 | A | 29.6 | Very low | 36.7 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 95% | 0.95 | 81% | 0.808 | S | S | * | * | | | trans | 61.7 | 171.1 | 147 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1227 | A | 32.3 | Very low | 36.2 | Very low | 111 Ų | 111 | 126 Ų | 126 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | | | trans | -150.5 | 165.5 | -171 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1228 | G | 33.4 | Very low | 37 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | | | trans | 157.4 | 114.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1229 | Q | 32.9 | Very low | 36.8 | Very low | 194 Ų | 194 | 124.8 Ų | 124.8 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | | | | 67.4 | 149.6 | 59.8 | -63.4 | -163.5 | 8.1 | 0 | 0 | 113.7 | | |
| 1230 | P | 38.8 | Very low | 36.8 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | | | cis | -135.4 | 176.6 | 12.5 | 42.4 | -26.2 | 0 | 0 | 0 | 116.9 | | |
| 1231 | G | 33.3 | Very low | 36.5 | Very low | 69 Ų | 69 | 122.5 Ų | 122.5 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | | | trans | 98.5 | 142 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 1232 | L | 37.7 | Very low | 36.8 | Very low | 179 Ų | 179 | 121.5 Ų | 121.5 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | | | cis | -142.7 | 150.5 | -7.6 | -90.1 | 173 | 0 | 0 | 0 | 110.9 | | |
| 1233 | K | 34.3 | Very low | 37.2 | Very low | 167 Ų | 167 | 121 Ų | 121 | 73% | 0.726 | 81% | 0.805 | S | S | * | * | | | trans | -74.7 | 139.9 | 169.7 | 172.2 | 172.6 | 175.4 | 156.3 | 0 | 110.1 | E1235 | K1233-E1235 WeakPolarHBondContact CE-OE2 3.34Å; K1233-E1235 IonicContact NZ-OE2 3.29Å; K1233-E1235 PolarHBondContact NZ-OE2 2.89Å |
| 1234 | G | 38.1 | Very low | 37.6 | Very low | 81 Ų | 81 | 115.9 Ų | 115.9 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | -145.9 | 37.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1235 | E | 42.8 | Very low | 37.9 | Very low | 145 Ų | 145 | 114.5 Ų | 114.5 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | trans | -77.2 | 164.7 | 154.9 | -55 | 177.7 | 111.6 | 0 | 0 | 109.2 | K1233 | K1233-E1235 WeakPolarHBondContact CE-OE2 3.34Å; K1233-E1235 IonicContact NZ-OE2 3.29Å; K1233-E1235 PolarHBondContact NZ-OE2 2.89Å |
| 1236 | P | 42.6 | Very low | 38.2 | Very low | 127 Ų | 127 | 113.9 Ų | 113.9 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | cis | -131.9 | -175.9 | 3.8 | 39.6 | -21.8 | 0 | 0 | 0 | 114.7 | | |
| 1237 | G | 33.2 | Very low | 39.2 | Very low | 75 Ų | 75 | 116.5 Ų | 116.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | -172.7 | 39.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1238 | F | 44.3 | Very low | 39.8 | Very low | 205 Ų | 205 | 122.6 Ų | 122.6 | 90% | 0.899 | 75% | 0.754 | S | S | * | * | | | trans | -78.9 | 139.1 | 166.8 | -73 | -85.8 | 0 | 0 | 0 | 110.2 | | |
| 1239 | P | 34.9 | Very low | 39.9 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | | | | -143.8 | -173.8 | 80.9 | 38.9 | -20.8 | 0 | 0 | 0 | 112.6 | | |
| 1240 | G | 31.8 | Very low | 40.1 | Very low | 74 Ų | 74 | 121.8 Ų | 121.8 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | | | cis | -173.1 | 136.5 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1241 | V | 36 | Very low | 40.3 | Very low | 140 Ų | 140 | 121.9 Ų | 121.9 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | -78.8 | 178.3 | -176.3 | -78.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1242 | P | 46.5 | Very low | 40.3 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | | | cis | -141.2 | 177.3 | -36.1 | 36.2 | -17.9 | 0 | 0 | 0 | 115.6 | | |
| 1243 | G | 46 | Very low | 39.9 | Very low | 62 Ų | 62 | 119 Ų | 119 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | | | trans | 111.3 | 144.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1244 | A | 38.7 | Very low | 39.6 | Very low | 64 Ų | 64 | 119.1 Ų | 119.1 | 53% | 0.529 | 76% | 0.762 | S | S | . | * | | | cis | -147.5 | 162.5 | 3.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E109 P110 | E109-A1244 HydrophobicContact CB-CB 4.27Å; P110-A1244 HydrophobicContact CG-CB 4.35Å; P110-A1244 CarbonylContact O-C 2.91Å; P110-A1244 WeakPolarHBondContact O-CA 3.43Å; P110-A1244 VanDerWaalsContact O-CB 3.23Å; P110-A1244 WeakPolarHBondContact O-CB 3.31Å |
| 1245 | K | 52.9 | Low | 39.6 | Very low | 95 Ų | 95 | 118.8 Ų | 118.8 | 41% | 0.413 | 76% | 0.759 | S | S | . | * | | | trans | -90.1 | 169.7 | -166.1 | 140.5 | -171.1 | 175.7 | 164.2 | 0 | 115.9 | P110 G111 E1247 | P110-K1245 HydrophobicContact CB-CB 3.92Å; P110-K1245 HydrophobicContact CB-CD 4.12Å; P110-K1245 HydrophobicContact CB-CG 3.9Å; P110-K1245 HydrophobicContact CG-CB 4.09Å; P110-K1245 HydrophobicContact CG-CG 4.3Å; P110-K1245 WeakPolarHBondContact CG-O 3.5Å; P110-K1245 PolarHBondContact O-N 2.74Å; G111-K1245 WeakPolarHBondContact O-CB 3.27Å; G111-K1245 WeakPolarHBondContact O-CD 3.27Å; K1245-E1247 WeakPolarHBondContact CE-OE1 3.32Å; K1245-E1247 IonicContact NZ-OE1 2.73Å; K1245-E1247 PolarHBondContact NZ-OE1 2.99Å; K1245-E1247 IonicContact NZ-OE2 2.62Å |
| 1246 | G | 43.2 | Very low | 39.1 | Very low | 62 Ų | 62 | 116.7 Ų | 116.7 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | | | trans | -170.6 | 28.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | R1248 | G1246-R1248 PolarHBondContact O-N 2.92Š|
| 1247 | E | 49.6 | Very low | 38.7 | Very low | 169 Ų | 169 | 117.3 Ų | 117.3 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | 19.9 | 72.8 | 163.1 | -74.6 | 164.8 | 174.3 | 0 | 0 | 116.7 | K1245 | K1245-E1247 WeakPolarHBondContact CE-OE1 3.32Å; K1245-E1247 IonicContact NZ-OE1 2.73Å; K1245-E1247 PolarHBondContact NZ-OE1 2.99Å; K1245-E1247 IonicContact NZ-OE2 2.62Å |
| 1248 | R | 45.8 | Very low | 39.1 | Very low | 239 Ų | 239 | 117.4 Ų | 117.4 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | trans | -137.6 | 155.4 | 173.9 | -178.7 | 172.5 | -70.9 | -171.7 | -1.4 | 108.7 | G1246 | G1246-R1248 PolarHBondContact O-N 2.92Š|
| 1249 | G | 34.4 | Very low | 38.5 | Very low | 69 Ų | 69 | 116 Ų | 116 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | -66 | 166 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1250 | L | 36.7 | Very low | 38.4 | Very low | 174 Ų | 174 | 118.5 Ų | 118.5 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -64.6 | 152.7 | 170.2 | -58.2 | 161.6 | 0 | 0 | 0 | 111.4 | | |
| 1251 | P | 42.9 | Very low | 38.3 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | cis | -107.9 | 174.9 | -36.5 | 15.9 | 6.6 | 0 | 0 | 0 | 110.5 | | |
| 1252 | G | 33.5 | Very low | 38.2 | Very low | 83 Ų | 83 | 116.5 Ų | 116.5 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | trans | -86.2 | 133.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1253 | S | 29.1 | Very low | 37.5 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -151.8 | 112.4 | 157.8 | 58.8 | 0 | 0 | 0 | 0 | 111 | | |
| 1254 | D | 29.2 | Very low | 37.3 | Very low | 170 Ų | 170 | 116.1 Ų | 116.1 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | trans | 66.1 | 148.3 | 160.9 | -52.1 | -30.2 | 0 | 0 | 0 | 122.3 | | |
| 1255 | G | 37.4 | Very low | 36.7 | Very low | 73 Ų | 73 | 118.8 Ų | 118.8 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | trans | 101.9 | 81.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1256 | A | 32.1 | Very low | 35.7 | Very low | 102 Ų | 102 | 119 Ų | 119 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | | 88.9 | 145 | 73.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1257 | P | 35.5 | Very low | 35.3 | Very low | 139 Ų | 139 | 119.1 Ų | 119.1 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | | | trans | -93.1 | 161.8 | -164.5 | 36.9 | -37.4 | 0 | 0 | 0 | 115.5 | | |
| 1258 | G | 41.1 | Very low | 34.5 | Very low | 77 Ų | 77 | 119 Ų | 119 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -175.2 | 145.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1259 | L | 31.8 | Very low | 33.9 | Very low | 177 Ų | 177 | 113.7 Ų | 113.7 | 93% | 0.927 | 78% | 0.78 | S | S | * | * | | | trans | -102.3 | 167.8 | -176.7 | -80.8 | 112 | 0 | 0 | 0 | 114.3 | | |
| 1260 | M | 31.5 | Very low | 33.7 | Very low | 183 Ų | 183 | 114.2 Ų | 114.2 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | trans | -31.7 | 130 | 163.5 | 174.3 | -176.3 | 70.9 | 0 | 0 | 117.1 | | |
| 1261 | G | 30 | Very low | 33.9 | Very low | 74 Ų | 74 | 114.8 Ų | 114.8 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | | | | 111.9 | 89.1 | 126.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1262 | A | 34.7 | Very low | 33.2 | Very low | 97 Ų | 97 | 115.3 Ų | 115.3 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | 179.3 | 115.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 1263 | K | 32 | Very low | 33.3 | Very low | 104 Ų | 104 | 115 Ų | 115 | 45% | 0.452 | 79% | 0.787 | S | S | . | * | | | cis | 80.2 | 125 | 41.6 | -153.3 | 172 | -168.7 | 176.6 | 0 | 113.6 | M411 G412 E1265 | M411-K1263 PolarHBondContact O-NZ 3.04Å; M411-K1263 VanDerWaalsContact O-NZ 3.11Å; G412-K1263 VanDerWaalsContact C-NZ 3.28Å; G412-K1263 PolarHBondContact O-NZ 2.91Å; K1263-E1265 WeakPolarHBondContact CE-OE1 3.28Å; K1263-E1265 IonicContact NZ-OE1 2.67Å |
| 1264 | G | 40.2 | Very low | 33.4 | Very low | 59 Ų | 59 | 117.3 Ų | 117.3 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | | | trans | 175.4 | 92.2 | -174 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1265 | E | 27.9 | Very low | 33.4 | Very low | 121 Ų | 121 | 120.4 Ų | 120.4 | 57% | 0.565 | 79% | 0.785 | S | S | * | * | | | trans | -94.9 | 160.2 | 172.2 | -72.3 | 160.1 | -137.3 | 0 | 0 | 108.4 | K1263 | K1263-E1265 WeakPolarHBondContact CE-OE1 3.28Å; K1263-E1265 IonicContact NZ-OE1 2.67Å |
| 1266 | A | 31.6 | Very low | 33.4 | Very low | 100 Ų | 100 | 120 Ų | 120 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | | | cis | -166.3 | 176.7 | -12.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1267 | G | 33.3 | Very low | 33.6 | Very low | 63 Ų | 63 | 123.3 Ų | 123.3 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | trans | 97.9 | 126.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1268 | I | 34 | Very low | 33.5 | Very low | 166 Ų | 166 | 120.9 Ų | 120.9 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | | | cis | 70.3 | 130.5 | 17.5 | -41.7 | 170.2 | 0 | 0 | 0 | 113.1 | | |
| 1269 | P | 33.3 | Very low | 33.1 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | | | cis | -124.8 | 176.2 | -3.1 | 31.3 | -11.3 | 0 | 0 | 0 | 115.8 | | |
| 1270 | G | 28.8 | Very low | 33 | Very low | 80 Ų | 80 | 119.2 Ų | 119.2 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | | | trans | 140.7 | 114.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1271 | M | 41.2 | Very low | 33.8 | Very low | 186 Ų | 186 | 116.2 Ų | 116.2 | 92% | 0.916 | 75% | 0.747 | S | S | * | * | | | trans | -96.2 | 151.8 | 171 | -59.4 | 174.2 | 66.6 | 0 | 0 | 110.4 | | |
| 1272 | P | 28.8 | Very low | 33.8 | Very low | 134 Ų | 134 | 115.9 Ų | 115.9 | 87% | 0.87 | 74% | 0.743 | S | S | * | * | | | | -152.1 | 170.6 | 91.2 | 39.5 | -22.1 | 0 | 0 | 0 | 116.1 | | |
| 1273 | G | 35.9 | Very low | 33.5 | Very low | 78 Ų | 78 | 119.9 Ų | 119.9 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | 138.9 | 95.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1274 | Q | 30.4 | Very low | 33.6 | Very low | 153 Ų | 153 | 125.2 Ų | 125.2 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | | | trans | -87.2 | 127.5 | 170.3 | -71.5 | 162.1 | -80.8 | 0 | 0 | 113 | D1278 | Q1274-D1278 PolarHBondContact NE2-OD1 2.95Š|
| 1275 | R | 31 | Very low | 33.3 | Very low | 235 Ų | 235 | 124.6 Ų | 124.6 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | | | | -179.4 | 145.1 | 128 | -114.2 | 166.8 | -80.2 | -159.6 | -7.2 | 110 | | |
| 1276 | G | 35.6 | Very low | 33.9 | Very low | 63 Ų | 63 | 128 Ų | 128 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | S | Bend | cis | -157.8 | 175.8 | -7.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1277 | L | 37 | Very low | 34.1 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | | | cis | -116.7 | 136 | 8.7 | -64.1 | 164.5 | 0 | 0 | 0 | 110.6 | | |
| 1278 | D | 33.8 | Very low | 34 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 47% | 0.471 | 78% | 0.783 | S | S | . | * | | | trans | -58.2 | 148.5 | 156.5 | -45.6 | -93.1 | 0 | 0 | 0 | 108.2 | Q1274 L1280 | Q1274-D1278 PolarHBondContact NE2-OD1 2.95Å; D1278-L1280 HydrophobicContact CB-CD2 4.45Å; D1278-L1280 HydrophobicContact CB-CG 4.42Å |
| 1279 | G | 33 | Very low | 34.4 | Very low | 72 Ų | 72 | 130.7 Ų | 130.7 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | cis | 120.1 | 176.7 | 28.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1280 | L | 28.8 | Very low | 34.4 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | cis | -141.7 | 160.6 | 2 | -76.5 | 174 | 0 | 0 | 0 | 110.1 | D1278 | D1278-L1280 HydrophobicContact CB-CD2 4.45Å; D1278-L1280 HydrophobicContact CB-CG 4.42Å |
| 1281 | P | 47.7 | Very low | 34.6 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | trans | -86.2 | 155.7 | 178.6 | 35.3 | -35.6 | 0 | 0 | 0 | 113.4 | | |
| 1282 | G | 30.5 | Very low | 34.1 | Very low | 67 Ų | 67 | 127.5 Ų | 127.5 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | | | trans | 79.5 | 111.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1283 | Q | 29.2 | Very low | 34.3 | Very low | 181 Ų | 181 | 125.8 Ų | 125.8 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | trans | -164.2 | 139.5 | 147.1 | -116 | 156.7 | 93.3 | 0 | 0 | 112 | | |
| 1284 | K | 34.1 | Very low | 34 | Very low | 216 Ų | 216 | 124.8 Ų | 124.8 | 94% | 0.939 | 75% | 0.754 | S | S | * | * | | | trans | -115.5 | 120.1 | 134.9 | 178.9 | -179.2 | 177.8 | -178.9 | 0 | 105.5 | | |
| 1285 | G | 33.3 | Very low | 34.3 | Very low | 46 Ų | 46 | 123.3 Ų | 123.3 | 47% | 0.474 | 76% | 0.758 | S | S | . | * | | | trans | 164.3 | 64 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1286 | E | 41 | Very low | 34.4 | Very low | 193 Ų | 193 | 117.7 Ų | 117.7 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | | | trans | -63.9 | 152 | 146.3 | -66.6 | -179.2 | 121.6 | 0 | 0 | 108.3 | | |
| 1287 | P | 36.2 | Very low | 34.3 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | cis | -121.5 | 159.4 | 13.1 | 39.5 | -27 | 0 | 0 | 0 | 115 | | |
| 1288 | G | 30 | Very low | 34.2 | Very low | 71 Ų | 71 | 118 Ų | 118 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | | | trans | -179 | 88.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1290 | G1288-P1290 WeakPolarHBondContact O-CD 3.47Š|
| 1289 | L | 42.1 | Very low | 34.2 | Very low | 183 Ų | 183 | 116.3 Ų | 116.3 | 96% | 0.958 | 76% | 0.76 | S | S | * | * | | | trans | -101.7 | 111.1 | 171 | -78.8 | 166.2 | 0 | 0 | 0 | 110.1 | | |
| 1290 | P | 34.1 | Very low | 34.2 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | | | trans | -129.1 | 104.3 | 161.8 | 31.5 | -14.2 | 0 | 0 | 0 | 112.3 | G1288 | G1288-P1290 WeakPolarHBondContact O-CD 3.47Š|
| 1291 | G | 33.2 | Very low | 34.4 | Very low | 61 Ų | 61 | 123.1 Ų | 123.1 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | | | trans | 66.7 | 91.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | A1293 | G1291-A1293 PolarHBondContact O-N 2.04Š|
| 1292 | I | 31.3 | Very low | 33.8 | Very low | 164 Ų | 164 | 120.9 Ų | 120.9 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | | | trans | -77.3 | 108.3 | 136.6 | -63.9 | 177.7 | 0 | 0 | 0 | 106.4 | | |
| 1293 | A | 31.5 | Very low | 33.9 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 131.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | G1291 | G1291-A1293 PolarHBondContact O-N 2.04Š|
| 1294 | G | 31.1 | Very low | 34 | Very low | 57 Ų | 57 | 127.8 Ų | 127.8 | 59% | 0.588 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 157.1 | -154.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1295 | P | 36.6 | Very low | 34 | Very low | 122 Ų | 122 | 120.5 Ų | 120.5 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -59 | 155.6 | 153.3 | 30.8 | -34.6 | 0 | 0 | 0 | 110 | | |
| 1296 | P | 33.3 | Very low | 34.5 | Very low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | | -84 | 130.7 | -110.3 | 25.5 | -36.2 | 0 | 0 | 0 | 114.2 | I1298 | P1296-I1298 PolarHBondContact O-N 3.13Š|
| 1297 | G | 33.5 | Very low | 34.1 | Very low | 80 Ų | 80 | 124.7 Ų | 124.7 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -69.4 | 97.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1299 | G1297-G1299 PolarHBondContact O-N 2.85Š|
| 1298 | I | 33.3 | Very low | 33.8 | Very low | 164 Ų | 164 | 122 Ų | 122 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | | | trans | -65.8 | 110.3 | 158.9 | -68.3 | 175.2 | 0 | 0 | 0 | 107.2 | P1296 | P1296-I1298 PolarHBondContact O-N 3.13Š|
| 1299 | G | 35.3 | Very low | 33.7 | Very low | 52 Ų | 52 | 128.3 Ų | 128.3 | 54% | 0.536 | 79% | 0.785 | S | S | . | * | | | trans | -61.6 | 155.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G1297 | G1297-G1299 PolarHBondContact O-N 2.85Š|
| 1300 | I | 32.3 | Very low | 33.3 | Very low | 164 Ų | 164 | 126 Ų | 126 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | cis | -152.8 | 141.4 | 34.1 | -20 | 177.2 | 0 | 0 | 0 | 111.3 | | |
| 1301 | K | 32.8 | Very low | 33.2 | Very low | 197 Ų | 197 | 124.6 Ų | 124.6 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | 55.3 | 112.6 | 142.7 | -175.2 | 179.6 | -176.5 | 178.9 | 0 | 118.9 | | |
| 1302 | G | 36 | Very low | 33 | Very low | 74 Ų | 74 | 130 Ų | 130 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | trans | 178.1 | 95.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1303 | D | 31.8 | Very low | 33 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | | | trans | -55.6 | 146.3 | -167.4 | -54.2 | -68.1 | 0 | 0 | 0 | 117.5 | | |
| 1304 | R | 30.9 | Very low | 33.4 | Very low | 246 Ų | 246 | 126.9 Ų | 126.9 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | | | trans | 58.8 | 103.8 | 132.2 | -171.8 | -173.7 | -167.8 | 168.4 | 3.9 | 118.8 | | |
| 1305 | G | 34.4 | Very low | 33.5 | Very low | 64 Ų | 64 | 134.3 Ų | 134.3 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | | | trans | 167.4 | 103.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1306 | E | 43.7 | Very low | 33.6 | Very low | 202 Ų | 202 | 132.3 Ų | 132.3 | 94% | 0.944 | 81% | 0.812 | S | S | * | * | | | trans | -74.4 | 118.7 | 134.4 | -68.7 | -176.8 | 116.8 | 0 | 0 | 106.5 | | |
| 1307 | P | 33.4 | Very low | 33.6 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | | -150.3 | 163.3 | 129.3 | 37.6 | -22.6 | 0 | 0 | 0 | 114.5 | | |
| 1308 | G | 29.9 | Very low | 34 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | 122.4 | 118.7 | 141.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1309 | F | 27.4 | Very low | 34.5 | Very low | 202 Ų | 202 | 130.7 Ų | 130.7 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -64.2 | 164.2 | 157.1 | -82.6 | -107 | 0 | 0 | 0 | 111 | G1311 | F1309-G1311 PolarHBondContact O-N 2.82Š|
| 1310 | P | 34.2 | Very low | 34.2 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | | | trans | -58.3 | 101 | 179.9 | -25.6 | 35.9 | 0 | 0 | 0 | 114 | | |
| 1311 | G | 31.9 | Very low | 34.7 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | | | trans | -90.2 | 134.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | F1309 | F1309-G1311 PolarHBondContact O-N 2.82Š|
| 1312 | L | 28.6 | Very low | 34.8 | Very low | 173 Ų | 173 | 127.4 Ų | 127.4 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | -72.5 | 169 | 178.3 | -83.7 | 158.7 | 0 | 0 | 0 | 113 | | |
| 1313 | P | 32 | Very low | 35.3 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | | -108.9 | 162.9 | -127.6 | 40.3 | -39.4 | 0 | 0 | 0 | 117.5 | | |
| 1314 | G | 39.5 | Very low | 35.4 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | -141.3 | 62.6 | -177 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1315 | K | 33.7 | Very low | 35.7 | Very low | 213 Ų | 213 | 125 Ų | 125 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | | | trans | 10.4 | 114.1 | 161.9 | -62.2 | 174.8 | -179.4 | 174.8 | 0 | 119.2 | | |
| 1316 | G | 38.7 | Very low | 35.9 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -155.6 | 72.2 | 170 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1317 | L | 33.3 | Very low | 35.8 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -39.7 | 150.1 | -172.8 | -64.1 | 157.2 | 0 | 0 | 0 | 116.9 | F1320 | L1317-F1320 HydrophobicContact CD2-CE2 3.58Å; L1317-F1320 HydrophobicContact CD2-CZ 3.54Å |
| 1318 | P | 41.1 | Very low | 36 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | | | cis | -126.6 | 78.2 | 13.9 | 38.3 | -20.7 | 0 | 0 | 0 | 114 | F1320 | P1318-F1320 HydrophobicContact CB-CD2 4.01Å; P1318-F1320 HydrophobicContact CB-CE2 3.94Å |
| 1319 | G | 44.1 | Very low | 36.2 | Very low | 76 Ų | 76 | 132.9 Ų | 132.9 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | -82.2 | 117.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1320 | F | 28.4 | Very low | 36.6 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | | | trans | -149.6 | 151.2 | -176.8 | -73.2 | -83.5 | 0 | 0 | 0 | 111.7 | L1317 P1318 | L1317-F1320 HydrophobicContact CD2-CE2 3.58Å; L1317-F1320 HydrophobicContact CD2-CZ 3.54Å; P1318-F1320 HydrophobicContact CB-CD2 4.01Å; P1318-F1320 HydrophobicContact CB-CE2 3.94Å |
| 1321 | P | 43.8 | Very low | 36.8 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | cis | -138.3 | 124.7 | -36 | 32.5 | -14 | 0 | 0 | 0 | 114.9 | | |
| 1322 | G | 34.3 | Very low | 37 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | | | trans | 63.3 | 107.3 | 132.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1323 | P | 47 | Very low | 37.7 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | | | trans | -86.3 | 116.4 | 151.4 | 33 | -27.9 | 0 | 0 | 0 | 111 | | |
| 1324 | K | 33.3 | Very low | 37.9 | Very low | 212 Ų | 212 | 125 Ų | 125 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | | | trans | -161.8 | 137.5 | 161 | -169.4 | 171.5 | -176.4 | 178.1 | 0 | 111.5 | | |
| 1325 | G | 37.4 | Very low | 37.7 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | trans | 153.8 | 68.2 | 169 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1327 | G1325-R1327 PolarHBondContact O-N 3.43Š|
| 1326 | D | 38.3 | Very low | 38.3 | Very low | 164 Ų | 164 | 123.6 Ų | 123.6 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -67.8 | 121.8 | 173.2 | -68.4 | -69.1 | 0 | 0 | 0 | 111.7 | | |
| 1327 | R | 42.2 | Very low | 38.3 | Very low | 234 Ų | 234 | 122.9 Ų | 122.9 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | 50 | 87.4 | 156 | -160.5 | 176.4 | -167.8 | 168.7 | 3.9 | 117.9 | G1325 | G1325-R1327 PolarHBondContact O-N 3.43Š|
| 1328 | G | 38.1 | Very low | 38.5 | Very low | 76 Ų | 76 | 124.7 Ų | 124.7 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 155.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1329 | L | 32.9 | Very low | 38.2 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 171.7 | 175.8 | -77.4 | 162.5 | 0 | 0 | 0 | 111.8 | | |
| 1330 | D | 35.8 | Very low | 38.1 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 148.3 | -170.7 | -56.5 | -83.7 | 0 | 0 | 0 | 115.8 | | |
| 1331 | G | 39.2 | Very low | 38.6 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | -172.9 | 98.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1332 | A | 36.1 | Very low | 38.5 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | | | trans | -96.2 | -164.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1333 | P | 43.1 | Very low | 38.7 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | cis | -138.7 | 159 | -11.7 | 38.2 | -20.2 | 0 | 0 | 0 | 116.8 | | |
| 1334 | G | 36 | Very low | 38.6 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | trans | 73.5 | -177.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1335 | V | 35.9 | Very low | 39 | Very low | 142 Ų | 142 | 127 Ų | 127 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | | | cis | -165.5 | -166.5 | -15.5 | -99.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1336 | P | 45.5 | Very low | 38.9 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | | -130 | -179.3 | -72.1 | 41.5 | -25.6 | 0 | 0 | 0 | 114.5 | | |
| 1337 | G | 39.4 | Very low | 38.9 | Very low | 66 Ų | 66 | 123.8 Ų | 123.8 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | | | trans | 149.7 | 106.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1338 | M | 35.8 | Very low | 39 | Very low | 178 Ų | 178 | 119 Ų | 119 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | cis | 62.9 | 137.3 | 49.1 | -50.1 | -171.9 | 76.1 | 0 | 0 | 112.4 | | |
| 1339 | K | 36.6 | Very low | 39 | Very low | 189 Ų | 189 | 119.2 Ų | 119.2 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | cis | -152.4 | 152.5 | 24.1 | -179.5 | -176.9 | 176 | -174.2 | 0 | 111.4 | | |
| 1340 | G | 41 | Very low | 38.8 | Very low | 82 Ų | 82 | 120.3 Ų | 120.3 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | 176.4 | 94.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1341 | S | 39 | Very low | 38.5 | Very low | 85 Ų | 85 | 122.1 Ų | 122.1 | 59% | 0.594 | 81% | 0.806 | S | S | * | * | | | trans | -132.6 | 162.8 | -176.8 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1342 | D | 41.5 | Very low | 38.5 | Very low | 158 Ų | 158 | 121.8 Ų | 121.8 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | | 157.2 | 144.6 | 128.1 | -73.1 | -9.8 | 0 | 0 | 0 | 110.4 | | |
| 1343 | G | 38.6 | Very low | 38.4 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | cis | -159.2 | 162.4 | -0.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1344 | F | 44.6 | Very low | 37.7 | Very low | 206 Ų | 206 | 125.8 Ų | 125.8 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | | | trans | -89.9 | 157.3 | 170.9 | -67.7 | -108.4 | 0 | 0 | 0 | 109.8 | | |
| 1345 | P | 41.8 | Very low | 37.5 | Very low | 135 Ų | 135 | 126 Ų | 126 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | | -148.9 | 166.4 | 89.5 | 37.4 | -19.5 | 0 | 0 | 0 | 114.5 | | |
| 1346 | G | 36.3 | Very low | 37.9 | Very low | 65 Ų | 65 | 129.1 Ų | 129.1 | 67% | 0.67 | 82% | 0.818 | S | S | * | * | | | cis | 176.4 | 149.8 | -10.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1347 | A | 37.2 | Very low | 37.4 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | | | trans | 70.8 | 177.1 | 130.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1348 | P | 43.9 | Very low | 37 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | | | | -130.3 | 169.2 | -100.9 | 35.4 | -15.8 | 0 | 0 | 0 | 115.8 | | |
| 1349 | G | 38.2 | Very low | 37.5 | Very low | 81 Ų | 81 | 124.7 Ų | 124.7 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | -158 | 130 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1350 | M | 29.4 | Very low | 37.5 | Very low | 180 Ų | 180 | 119.4 Ų | 119.4 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | trans | -105.6 | 160.4 | -167.4 | -61.1 | 164.5 | 55.8 | 0 | 0 | 114.7 | | |
| 1351 | K | 29.7 | Very low | 37.2 | Very low | 203 Ų | 203 | 117 Ų | 117 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | trans | 79.5 | 129.4 | 140 | -168.6 | 174.8 | -177 | 176.1 | 0 | 119.6 | | |
| 1352 | G | 38.1 | Very low | 37 | Very low | 76 Ų | 76 | 117.8 Ų | 117.8 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | | | trans | 170.5 | 83.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1353 | E | 33.9 | Very low | 36.6 | Very low | 194 Ų | 194 | 120.4 Ų | 120.4 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | | | trans | -104.9 | 173.3 | 177.8 | -70.4 | -176.9 | 114 | 0 | 0 | 112.8 | | |
| 1354 | A | 30.1 | Very low | 36.4 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | | | trans | 76.9 | 136.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1355 | G | 31.8 | Very low | 35.7 | Very low | 74 Ų | 74 | 118.4 Ų | 118.4 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | | | cis | -179.5 | 168.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1356 | F | 42.7 | Very low | 35.2 | Very low | 208 Ų | 208 | 119.5 Ų | 119.5 | 91% | 0.912 | 75% | 0.752 | S | S | * | * | | | trans | -65.1 | 154.2 | 156.3 | -70.9 | -88.9 | 0 | 0 | 0 | 108.8 | | |
| 1357 | P | 35.5 | Very low | 35 | Very low | 129 Ų | 129 | 119.7 Ų | 119.7 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | | -154.6 | -169.9 | 51.5 | 43.7 | -22.6 | 0 | 0 | 0 | 117.4 | | |
| 1358 | G | 31.4 | Very low | 34.9 | Very low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | | | trans | 105.1 | 124.9 | 145.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1359 | S | 46.8 | Very low | 34.9 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 52% | 0.524 | 75% | 0.753 | S | S | . | * | | | trans | -115.9 | 138.1 | 169.4 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | V506 G507 | V506-S1359 CarbonylContact C-O 3.5Å; G507-S1359 VanDerWaalsContact CA-O 3.29Å; G507-S1359 WeakPolarHBondContact CA-O 3.46Å; G507-S1359 PolarHBondContact N-O 3.46Å |
| 1360 | P | 36.4 | Very low | 34.9 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 50% | 0.5 | 75% | 0.75 | S | S | . | * | | | trans | -141.7 | 147.5 | 165.3 | 20.9 | 2.7 | 0 | 0 | 0 | 120.4 | V506 K508 | V506-P1360 CarbonylContact O-C 3.55Å; V506-P1360 WeakPolarHBondContact O-CA 3.42Å; V506-P1360 WeakPolarHBondContact O-CB 3.34Å; K508-P1360 VanDerWaalsContact CD-O 3.25Å; K508-P1360 WeakPolarHBondContact CD-O 3.47Å; K508-P1360 VanDerWaalsContact CE-O 3.29Å; K508-P1360 WeakPolarHBondContact CE-O 3.3Å; K508-P1360 VanDerWaalsContact CG-O 3.31Å; K508-P1360 WeakPolarHBondContact CG-O 3.07Å |
| 1361 | G | 34.8 | Very low | 35.7 | Very low | 33 Ų | 33 | 119.7 Ų | 119.7 | 34% | 0.34 | 75% | 0.747 | S | S | . | * | | | trans | 100.3 | 97.8 | 136.5 | 0 | 0 | 0 | 0 | 0 | 121 | V506 G507 K508 | V506-G1361 PolarHBondContact O-N 3.2Å; G507-G1361 VanDerWaalsContact C-N 3.29Å; G507-G1361 PolarHBondContact O-N 2.62Å; G507-G1361 VanDerWaalsContact O-N 3.15Å; K508-G1361 WeakPolarHBondContact CE-O 3.35Å; K508-G1361 VanDerWaalsContact CG-O 3.28Å; K508-G1361 WeakPolarHBondContact CG-O 3.32Å |
| 1362 | E | 33.9 | Very low | 35.9 | Very low | 101 Ų | 101 | 120 Ų | 120 | 47% | 0.472 | 75% | 0.748 | S | S | . | * | | | trans | -82.5 | 155.1 | 142 | -100.5 | -166.1 | -122.3 | 0 | 0 | 109 | K509 | K509-E1362 WeakPolarHBondContact CD-OE1 3.26Š|
| 1363 | R | 33.2 | Very low | 36 | Very low | 213 Ų | 213 | 119.9 Ų | 119.9 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | cis | -143.4 | 165.6 | 6.4 | -171.9 | 175.1 | -64.3 | 146.8 | 7.6 | 109.5 | | |
| 1364 | G | 35.7 | Very low | 36.1 | Very low | 65 Ų | 65 | 119.9 Ų | 119.9 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | | | trans | -94.5 | -178.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1365 | L | 29.8 | Very low | 36.3 | Very low | 169 Ų | 169 | 120 Ų | 120 | 89% | 0.885 | 75% | 0.748 | S | S | * | * | | | trans | -158.6 | 167.3 | 152.3 | -103.1 | 170.4 | 0 | 0 | 0 | 109.1 | | |
| 1366 | D | 29.8 | Very low | 36.6 | Very low | 157 Ų | 157 | 120.1 Ų | 120.1 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | | | trans | -80.3 | 166.3 | -164.7 | -48.7 | -86 | 0 | 0 | 0 | 115.7 | | |
| 1367 | G | 33.5 | Very low | 36.3 | Very low | 70 Ų | 70 | 118.3 Ų | 118.3 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | | | trans | -165.2 | -4.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 125.6 | | |
| 1368 | I | 34.8 | Very low | 36.7 | Very low | 170 Ų | 170 | 117.5 Ų | 117.5 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | | | trans | 64.9 | -173.2 | 164.4 | -10.8 | -177.2 | 0 | 0 | 0 | 116.9 | | |
| 1369 | P | 43.8 | Very low | 37.1 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | | | | -134.3 | -171.5 | -115.4 | 47.5 | -29.6 | 0 | 0 | 0 | 118.6 | | |
| 1370 | G | 38.8 | Very low | 36.5 | Very low | 74 Ų | 74 | 122 Ų | 122 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | | | trans | -172 | 126.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1371 | P | 45.2 | Very low | 37.1 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -127.6 | 171 | -173.7 | 42.9 | -31.9 | 0 | 0 | 0 | 116.7 | | |
| 1372 | K | 34.2 | Very low | 37.1 | Very low | 210 Ų | 210 | 126.4 Ų | 126.4 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | | | | 150.1 | 142.2 | 128.4 | -175.5 | 170.7 | -178.1 | 179.8 | 0 | 114.2 | | |
| 1373 | G | 39.9 | Very low | 37.2 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | 173.6 | 107.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1374 | E | 35.1 | Very low | 37.2 | Very low | 194 Ų | 194 | 123.6 Ų | 123.6 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | | | trans | -139.8 | 163.7 | 175.5 | -84.3 | -166 | 135.2 | 0 | 0 | 111.4 | | |
| 1375 | A | 35.4 | Very low | 37.6 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | | | trans | 104.8 | 137.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1376 | G | 37.4 | Very low | 37.8 | Very low | 75 Ų | 75 | 123.9 Ų | 123.9 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | cis | -165.1 | -158.4 | 4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1377 | I | 36.2 | Very low | 38.2 | Very low | 170 Ų | 170 | 121 Ų | 121 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | -145.3 | 170.2 | -171.8 | 12.4 | 171 | 0 | 0 | 0 | 108.3 | | |
| 1378 | P | 44.6 | Very low | 38.7 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | cis | -129.9 | -168.8 | -18.7 | 37.5 | -19.5 | 0 | 0 | 0 | 112.7 | | |
| 1379 | G | 39.7 | Very low | 39.1 | Very low | 74 Ų | 74 | 120.4 Ų | 120.4 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | | | trans | -135.6 | 147.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1380 | L | 34.3 | Very low | 39.4 | Very low | 163 Ų | 163 | 118.7 Ų | 118.7 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -132.1 | 166.1 | -170 | -81.3 | 168.5 | 0 | 0 | 0 | 112.6 | | |
| 1381 | P | 48.3 | Very low | 39.3 | Very low | 126 Ų | 126 | 116.5 Ų | 116.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -128 | 178.2 | -140.1 | 44.6 | -33.1 | 0 | 0 | 0 | 117.3 | | |
| 1382 | G | 35.8 | Very low | 39.1 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | | | trans | 142.5 | 151.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1383 | A | 35.1 | Very low | 39.3 | Very low | 93 Ų | 93 | 113.7 Ų | 113.7 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | cis | -158.1 | 143.7 | -11.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1384 | Q | 34.2 | Very low | 39.7 | Very low | 161 Ų | 161 | 111.9 Ų | 111.9 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | | | trans | 45.9 | 134.7 | 133 | -160.8 | 163.5 | -9 | 0 | 0 | 122.8 | E1386 | Q1384-E1386 HydrophobicContact CG-CG 4.25Å; Q1384-E1386 PolarHBondContact NE2-OE1 3.42Å |
| 1385 | G | 44.6 | Very low | 39.4 | Very low | 80 Ų | 80 | 106.7 Ų | 106.7 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | | | trans | -147.5 | 134.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1386 | E | 33.9 | Very low | 39.3 | Very low | 160 Ų | 160 | 106 Ų | 106 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | | | trans | -121.7 | 162.9 | -171.4 | -73.1 | -178.1 | 166.3 | 0 | 0 | 110.5 | Q1384 | Q1384-E1386 HydrophobicContact CG-CG 4.25Å; Q1384-E1386 PolarHBondContact NE2-OE1 3.42Å |
| 1387 | A | 38.4 | Very low | 39.4 | Very low | 96 Ų | 96 | 106 Ų | 106 | 79% | 0.793 | 71% | 0.705 | S | S | * | * | | | cis | -163.6 | 167.2 | -21.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1388 | G | 42.7 | Very low | 39.1 | Very low | 75 Ų | 75 | 107 Ų | 107 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | | | trans | -150.9 | 121.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1389 | L | 43.4 | Very low | 39 | Very low | 154 Ų | 154 | 107.9 Ų | 107.9 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | | | trans | -161.6 | 175.4 | -168.4 | -80.3 | 177.3 | 0 | 0 | 0 | 108.1 | | |
| 1390 | P | 51.2 | Low | 38.6 | Very low | 88 Ų | 88 | 107.6 Ų | 107.6 | 57% | 0.571 | 71% | 0.711 | S | S | * | * | | | cis | -131.9 | 179.3 | -22.4 | 30.9 | -10.7 | 0 | 0 | 0 | 113.6 | P231 | P231-P1390 HydrophobicContact CB-CB 4.23Š|
| 1391 | G | 36.6 | Very low | 38.8 | Very low | 29 Ų | 29 | 108.1 Ų | 108.1 | 30% | 0.299 | 71% | 0.714 | S | S | . | * | | | trans | 139 | 124 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E228 P229 G230 | E228-G1391 CarbonylContact C-O 3.24Å; E228-G1391 CarbonylContact O-C 3.42Å; P229-G1391 CarbonylContact C-O 3.58Å; P229-G1391 WeakPolarHBondContact CA-O 3.36Å; P229-G1391 CarbonylContact O-C 3.59Å; P229-G1391 PolarHBondContact O-N 3.2Å; G230-G1391 CarbonylContact O-C 3.54Å; G230-G1391 WeakPolarHBondContact O-CA 3.38Å; G230-G1391 PolarHBondContact O-N 3.26Å |
| 1392 | M | 39.4 | Very low | 38.4 | Very low | 164 Ų | 164 | 107.6 Ų | 107.6 | 81% | 0.808 | 71% | 0.711 | S | S | * | * | B | Isolated β-bridge | cis | -117.5 | 164.3 | 10.1 | -75.5 | -170.5 | 69.9 | 0 | 0 | 116.1 | E228 P229 G230 | E228-M1392 PolarHBondContact O-N 3.46Å; P229-M1392 CarbonylContact C-O 3.38Å; G230-M1392 PolarHBondContact N-O 3.34Å; G230-M1392 CarbonylContact O-C 3.25Å; G230-M1392 WeakPolarHBondContact O-CA 3.49Å; G230-M1392 PolarHBondContact O-N 2.96Å |
| 1393 | E | 39.4 | Very low | 38.1 | Very low | 113 Ų | 113 | 107.5 Ų | 107.5 | 53% | 0.528 | 71% | 0.71 | S | S | . | * | | | trans | -79.9 | 150.8 | -144.1 | -169.9 | 169.8 | -73.8 | 0 | 0 | 116.8 | G230 P231 | G230-E1393 WeakPolarHBondContact O-CA 3.5Å; G230-E1393 PolarHBondContact O-N 2.65Å; G230-E1393 VanDerWaalsContact O-N 3.11Å; P231-E1393 HydrophobicContact CG-CG 4.42Å; P231-E1393 WeakPolarHBondContact O-CG 3.14Å |
| 1394 | G | 47.2 | Very low | 37.9 | Very low | 35 Ų | 35 | 111.7 Ų | 111.7 | 36% | 0.361 | 72% | 0.715 | S | S | . | * | B | Isolated β-bridge | trans | -109.8 | 118.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P231 V232 G233 | P231-G1394 PolarHBondContact O-N 2.91Å; V232-G1394 WeakPolarHBondContact CA-O 3.48Å; G233-G1394 PolarHBondContact N-O 3.39Å |
| 1395 | P | 30.1 | Very low | 37.7 | Very low | 86 Ų | 86 | 113.5 Ų | 113.5 | 56% | 0.558 | 72% | 0.721 | S | S | * | * | | | trans | -123.4 | -167.8 | 165 | 44.1 | -32 | 0 | 0 | 0 | 110.2 | | |
| 1396 | P | 32.9 | Very low | 37.4 | Very low | 96 Ų | 96 | 112.6 Ų | 112.6 | 62% | 0.623 | 71% | 0.711 | S | S | * | * | | | | -121.1 | -178.5 | -102.2 | 26.5 | -3.8 | 0 | 0 | 0 | 113.5 | | |
| 1397 | G | 39.1 | Very low | 37.3 | Very low | 75 Ų | 75 | 112 Ų | 112 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | | | trans | -71 | 148.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1398 | M | 29.2 | Very low | 37.1 | Very low | 191 Ų | 191 | 114.4 Ų | 114.4 | 94% | 0.941 | 72% | 0.718 | S | S | * | * | | | trans | -110.3 | 119.3 | 166.8 | -77.3 | -171.9 | 131.4 | 0 | 0 | 111.3 | | |
| 1399 | P | 44.5 | Very low | 36.7 | Very low | 130 Ų | 130 | 113.7 Ų | 113.7 | 84% | 0.844 | 71% | 0.71 | S | S | * | * | | | trans | -78.7 | 159.1 | 158.6 | -7.9 | 25.8 | 0 | 0 | 0 | 111.5 | | |
| 1400 | G | 30 | Very low | 36 | Very low | 68 Ų | 68 | 114.5 Ų | 114.5 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | | | trans | 98.1 | 84.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1401 | L | 37.9 | Very low | 35.2 | Very low | 174 Ų | 174 | 115.7 Ų | 115.7 | 91% | 0.911 | 72% | 0.723 | S | S | * | * | | | trans | 61.9 | -170.2 | 152.9 | -68.2 | 170.8 | 0 | 0 | 0 | 115 | | |
| 1402 | P | 40.8 | Very low | 35.2 | Very low | 116 Ų | 116 | 117.2 Ų | 117.2 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | | | | -123.1 | 147.2 | -55.4 | 29.5 | -17 | 0 | 0 | 0 | 114.5 | | |
| 1403 | G | 30.1 | Very low | 34.8 | Very low | 74 Ų | 74 | 119 Ų | 119 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | | | trans | 91 | 118.3 | 133.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1404 | M | 30.3 | Very low | 35 | Very low | 180 Ų | 180 | 119.4 Ų | 119.4 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | | | trans | -143.6 | 136.2 | 146.4 | -63.4 | -172.3 | 78 | 0 | 0 | 105 | | |
| 1405 | K | 30.5 | Very low | 34.3 | Very low | 199 Ų | 199 | 121.2 Ų | 121.2 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | | | cis | 62.1 | 113.1 | 16.9 | -159.2 | -176.7 | -180 | -172.6 | 0 | 116.2 | | |
| 1406 | G | 37.3 | Very low | 34.5 | Very low | 61 Ų | 61 | 125.7 Ų | 125.7 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | | | trans | 98.6 | 81.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1407 | N | 31.7 | Very low | 34.6 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | cis | 72.1 | 134.9 | 48.2 | -64 | 9.2 | 0 | 0 | 0 | 114.9 | | |
| 1408 | V | 33.8 | Very low | 34.3 | Very low | 145 Ų | 145 | 128 Ų | 128 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | 67.9 | 117.4 | 172.6 | -161.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1409 | G | 34.6 | Very low | 34.5 | Very low | 60 Ų | 60 | 126.5 Ų | 126.5 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | | | cis | 111.9 | 130.4 | -6.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1410 | L | 29.2 | Very low | 34.3 | Very low | 172 Ų | 172 | 126.1 Ų | 126.1 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | | | trans | -133.3 | 157.1 | 168.2 | -108.7 | 99.7 | 0 | 0 | 0 | 109.2 | | |
| 1411 | P | 33.7 | Very low | 34.8 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | | -137.3 | -174.5 | -105.9 | 38.7 | -20.1 | 0 | 0 | 0 | 114.8 | | |
| 1412 | G | 36.8 | Very low | 34.5 | Very low | 60 Ų | 60 | 126.5 Ų | 126.5 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | | | trans | 91.6 | 82.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1413 | F | 32.3 | Very low | 34.5 | Very low | 203 Ų | 203 | 127 Ų | 127 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | | | | 58.2 | 149.1 | 77 | -68 | -61 | 0 | 0 | 0 | 115.2 | | |
| 1414 | P | 42.6 | Very low | 35.1 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | cis | -129.8 | 156.5 | -21.7 | 34.1 | -17.2 | 0 | 0 | 0 | 113.8 | | |
| 1415 | G | 33.6 | Very low | 35.3 | Very low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | -95.6 | 152.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1417 | G1415-K1417 PolarHBondContact O-N 3.37Š|
| 1416 | L | 34.4 | Very low | 35.8 | Very low | 180 Ų | 180 | 121 Ų | 121 | 94% | 0.942 | 77% | 0.774 | S | S | * | * | | | trans | -93 | 85.2 | 173.9 | -83.6 | 171.3 | 0 | 0 | 0 | 112.8 | | |
| 1417 | K | 33.7 | Very low | 35.8 | Very low | 150 Ų | 150 | 121.7 Ų | 121.7 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | | | trans | 43.5 | 94.7 | 132.2 | -165.2 | -168.4 | 176.5 | -144.8 | 0 | 118.2 | G1415 E1419 | G1415-K1417 PolarHBondContact O-N 3.37Å; K1417-E1419 WeakPolarHBondContact CE-OE1 3.28Å; K1417-E1419 IonicContact NZ-OE1 3.6Å; K1417-E1419 PolarHBondContact NZ-OE1 3.49Å |
| 1418 | G | 34.3 | Very low | 35.8 | Very low | 70 Ų | 70 | 119.3 Ų | 119.3 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 156.8 | 138.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1419 | E | 33.1 | Very low | 36.1 | Very low | 159 Ų | 159 | 118.9 Ų | 118.9 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 133 | -171.9 | -55.8 | -153.8 | 120.7 | 0 | 0 | 113.7 | K1417 | K1417-E1419 WeakPolarHBondContact CE-OE1 3.28Å; K1417-E1419 IonicContact NZ-OE1 3.6Å; K1417-E1419 PolarHBondContact NZ-OE1 3.49Å |
| 1420 | P | 40.5 | Very low | 36.3 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 149.8 | 179.8 | -18.4 | 32.6 | 0 | 0 | 0 | 115 | | |
| 1421 | G | 38.9 | Very low | 36.7 | Very low | 68 Ų | 68 | 116.1 Ų | 116.1 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -88 | 165.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1422 | F | 31.7 | Very low | 37 | Very low | 183 Ų | 183 | 115.9 Ų | 115.9 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 136.9 | -174.6 | -72.1 | -101.2 | 0 | 0 | 0 | 113.5 | | |
| 1423 | P | 42 | Very low | 37.2 | Very low | 125 Ų | 125 | 116.6 Ų | 116.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 152.6 | 164.7 | -13.6 | 30.2 | 0 | 0 | 0 | 112.9 | | |
| 1424 | G | 42.7 | Very low | 37.3 | Very low | 80 Ų | 80 | 116 Ų | 116 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 171.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1425 | S | 34.5 | Very low | 36.9 | Very low | 111 Ų | 111 | 118.1 Ų | 118.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 160.4 | -175.3 | 43.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1426 | P | 41 | Very low | 37.1 | Very low | 136 Ų | 136 | 117.5 Ų | 117.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -105.9 | 170.7 | -163.4 | 10.3 | 12.9 | 0 | 0 | 0 | 114.8 | | |
| 1427 | G | 37.4 | Very low | 37.3 | Very low | 76 Ų | 76 | 116.7 Ų | 116.7 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | | | trans | -116.2 | 130.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1428 | A | 30.8 | Very low | 37.8 | Very low | 99 Ų | 99 | 116 Ų | 116 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | 38.9 | 111.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1429 | P | 39.5 | Very low | 37.9 | Very low | 136 Ų | 136 | 115.4 Ų | 115.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -85 | 164.7 | 142.7 | 10.4 | 9.4 | 0 | 0 | 0 | 110.5 | | |
| 1430 | G | 39.7 | Very low | 38.3 | Very low | 76 Ų | 76 | 118 Ų | 118 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | cis | 169.9 | -159.1 | 17.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1431 | A | 38.1 | Very low | 38.7 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | cis | -170.9 | 173.8 | -4.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1432 | A | 40 | Very low | 38.8 | Very low | 109 Ų | 109 | 118.1 Ų | 118.1 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | | | trans | 72.6 | 156 | 149.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1433 | G | 41.2 | Very low | 39 | Very low | 74 Ų | 74 | 117.5 Ų | 117.5 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | | | cis | 160.9 | -178.9 | -9.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1434 | M | 33.7 | Very low | 38.8 | Very low | 192 Ų | 192 | 121.2 Ų | 121.2 | 95% | 0.946 | 80% | 0.801 | S | S | * | * | | | trans | -175.4 | 163 | 170.3 | -101.3 | 178.5 | -173.1 | 0 | 0 | 108.2 | | |
| 1435 | K | 34.9 | Very low | 38.6 | Very low | 164 Ų | 164 | 120.4 Ų | 120.4 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | cis | 76.4 | 132 | 13.3 | -165.4 | 167.9 | -174.6 | 170.8 | 0 | 119.3 | E1437 | K1435-E1437 WeakPolarHBondContact CE-OE2 3.32Å; K1435-E1437 IonicContact NZ-OE2 3.65Å; K1435-E1437 PolarHBondContact NZ-OE2 2.85Å |
| 1436 | G | 37.8 | Very low | 38.7 | Very low | 60 Ų | 60 | 122.5 Ų | 122.5 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | | | cis | 130.1 | 157.6 | -13.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1437 | E | 37.5 | Very low | 38.5 | Very low | 163 Ų | 163 | 123 Ų | 123 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | 83.3 | 159.2 | 175 | -60.6 | -172.3 | 128.3 | 0 | 0 | 118.6 | K1435 | K1435-E1437 WeakPolarHBondContact CE-OE2 3.32Å; K1435-E1437 IonicContact NZ-OE2 3.65Å; K1435-E1437 PolarHBondContact NZ-OE2 2.85Å |
| 1438 | P | 43.7 | Very low | 38.5 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | | | cis | -111.9 | -148.7 | 5.1 | 45.5 | -34.2 | 0 | 0 | 0 | 113.8 | | |
| 1439 | G | 36.7 | Very low | 38.8 | Very low | 58 Ų | 58 | 124 Ų | 124 | 60% | 0.598 | 80% | 0.797 | S | S | * | * | | | cis | -176.6 | -170.6 | 7.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1440 | F | 42.5 | Very low | 38.7 | Very low | 214 Ų | 214 | 125.8 Ų | 125.8 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | | | trans | -152.5 | -179 | -172.2 | -77.1 | -70.7 | 0 | 0 | 0 | 111.5 | | |
| 1441 | P | 48 | Very low | 38.6 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | | | cis | -132.1 | -148.6 | 10.5 | 48.4 | -29.1 | 0 | 0 | 0 | 113 | | |
| 1442 | G | 41.1 | Very low | 38.4 | Very low | 64 Ų | 64 | 126.5 Ų | 126.5 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | | | cis | 162.7 | -172.3 | -4.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1443 | L | 36.3 | Very low | 38.1 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | | | trans | 90.3 | 147.2 | 160.9 | -52.6 | 178 | 0 | 0 | 0 | 121.6 | | |
| 1444 | R | 37.5 | Very low | 37.7 | Very low | 204 Ų | 204 | 131 Ų | 131 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | cis | -174.8 | 150.9 | -22.5 | 172 | 170.7 | -179 | -158.6 | -2 | 113.5 | | |
| 1445 | G | 39.2 | Very low | 37.8 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | | | trans | 149.6 | 150.8 | 144.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1446 | I | 37.1 | Very low | 37.9 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 80% | 0.795 | 79% | 0.788 | S | S | * | * | | | cis | -150.7 | -170 | -20.4 | -22.9 | 174.2 | 0 | 0 | 0 | 109.1 | | |
| 1447 | D | 36.7 | Very low | 38.3 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | trans | -101.1 | 164.3 | -153.8 | -50.4 | -71 | 0 | 0 | 0 | 119.1 | | |
| 1448 | G | 35.7 | Very low | 38.3 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | 137.6 | 135.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1449 | A | 38.7 | Very low | 38.2 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 95% | 0.95 | 79% | 0.794 | S | S | * | * | | | cis | -146.5 | -171.9 | 2.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1450 | K | 37.1 | Very low | 38 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | | | trans | -129.6 | 144.5 | -162.3 | 176.9 | -159.9 | 170.8 | -113.1 | 0 | 114.5 | D1452 | K1450-D1452 VanDerWaalsContact CE-OD1 3.23Å; K1450-D1452 WeakPolarHBondContact CE-OD1 3.38Å; K1450-D1452 VanDerWaalsContact NZ-CG 3.27Å; K1450-D1452 IonicContact NZ-OD1 2.7Å; K1450-D1452 PolarHBondContact NZ-OD1 2.87Å; K1450-D1452 IonicContact NZ-OD2 2.78Å; K1450-D1452 PolarHBondContact NZ-OD2 3.08Å |
| 1451 | G | 38.3 | Very low | 38.1 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | trans | 133 | 153.6 | 141.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1452 | D | 33.3 | Very low | 37.6 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | | | cis | -164 | 148.5 | -15.5 | -111.6 | -16.6 | 0 | 0 | 0 | 110.7 | K1450 | K1450-D1452 VanDerWaalsContact CE-OD1 3.23Å; K1450-D1452 WeakPolarHBondContact CE-OD1 3.38Å; K1450-D1452 VanDerWaalsContact NZ-CG 3.27Å; K1450-D1452 IonicContact NZ-OD1 2.7Å; K1450-D1452 PolarHBondContact NZ-OD1 2.87Å; K1450-D1452 IonicContact NZ-OD2 2.78Å; K1450-D1452 PolarHBondContact NZ-OD2 3.08Å |
| 1453 | K | 34.4 | Very low | 37.4 | Very low | 208 Ų | 208 | 129 Ų | 129 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | | | trans | 60.3 | 121.3 | 144.6 | -165.4 | -179.6 | -175.1 | -177.9 | 0 | 122.6 | | |
| 1454 | G | 32.7 | Very low | 37.7 | Very low | 70 Ų | 70 | 127 Ų | 127 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | 113.9 | 147.1 | 131.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1455 | E | 35.2 | Very low | 37.7 | Very low | 209 Ų | 209 | 122.9 Ų | 122.9 | 98% | 0.977 | 78% | 0.776 | S | S | * | * | | | cis | -117.4 | -168.4 | 11.5 | -65.2 | -165 | 114.6 | 0 | 0 | 114.5 | | |
| 1456 | M | 36.1 | Very low | 37.6 | Very low | 183 Ų | 183 | 124.6 Ų | 124.6 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | | | trans | -126.7 | 136.4 | -165.7 | 176.4 | 173.5 | 62.2 | 0 | 0 | 110 | | |
| 1457 | G | 47.4 | Very low | 37.6 | Very low | 66 Ų | 66 | 124.6 Ų | 124.6 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | | | trans | -80.9 | 178.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1458 | P | 36.1 | Very low | 37.7 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | | | trans | -96.2 | 135.8 | 169.1 | 34.1 | -29.6 | 0 | 0 | 0 | 112.9 | | |
| 1459 | M | 43.1 | Very low | 37.8 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -88.3 | 146.4 | 174 | 164.9 | -176.1 | 64.3 | 0 | 0 | 111.2 | | |
| 1460 | G | 32.2 | Very low | 38.1 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -100.5 | 110.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1461 | P | 43.8 | Very low | 38.2 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 155.7 | 176.1 | 32.8 | -34.7 | 0 | 0 | 0 | 112.6 | | |
| 1462 | P | 37.3 | Very low | 38.7 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -76 | 144.4 | 178.1 | 31.7 | -35.2 | 0 | 0 | 0 | 112.6 | | |
| 1463 | G | 38.3 | Very low | 38.9 | Very low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 149.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1464 | P | 41.7 | Very low | 39.3 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | trans | -90.8 | 176.6 | 163.1 | 38.2 | -33.3 | 0 | 0 | 0 | 111.8 | | |
| 1465 | K | 37.8 | Very low | 40.2 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 50% | 0.504 | 79% | 0.787 | S | S | . | * | | | trans | -114 | 138.7 | -155.1 | -45.7 | -177 | -175.5 | 166.5 | 0 | 116.6 | K368 D370 | K368-K1465 PolarHBondContact O-NZ 3.37Å; D370-K1465 HydrophobicContact CB-CD 4.4Å; D370-K1465 HydrophobicContact CB-CG 4.24Å; D370-K1465 WeakPolarHBondContact OD2-CB 3.35Å; D370-K1465 VanDerWaalsContact OD2-CG 3.32Å; D370-K1465 WeakPolarHBondContact OD2-CG 3.3Å |
| 1466 | S | 36.9 | Very low | 40.7 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | 83.6 | 141 | 136.5 | 83.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1467 | I | 36.6 | Very low | 41.1 | Very low | 156 Ų | 156 | 117.7 Ų | 117.7 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | trans | 93 | 138.2 | 153.9 | -61 | 160.2 | 0 | 0 | 0 | 118.1 | | |
| 1468 | V | 38.7 | Very low | 40.6 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | 85.4 | 104.7 | 179.2 | -160.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1469 | E | 37.5 | Very low | 40.9 | Very low | 180 Ų | 180 | 126.6 Ų | 126.6 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | | | trans | -96.4 | 174.7 | 151.9 | -107 | -172.4 | 131.1 | 0 | 0 | 109.3 | | |
| 1470 | P | 46.4 | Very low | 41.2 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | cis | -133.9 | -178.6 | -18.7 | 37.5 | -19.7 | 0 | 0 | 0 | 113.6 | | |
| 1471 | G | 37.8 | Very low | 41.8 | Very low | 74 Ų | 74 | 123.4 Ų | 123.4 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | trans | 168.7 | 128.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1472 | P | 50.6 | Low | 42.3 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -115.7 | 159.9 | -170.3 | 40.9 | -33.5 | 0 | 0 | 0 | 116.4 | | |
| 1473 | M | 35.9 | Very low | 42.7 | Very low | 195 Ų | 195 | 121.9 Ų | 121.9 | 96% | 0.961 | 78% | 0.776 | S | S | * | * | | | trans | 151.6 | 134.5 | 145.4 | -179.3 | 166.2 | 63.1 | 0 | 0 | 110.2 | | |
| 1474 | G | 43 | Very low | 42.6 | Very low | 58 Ų | 58 | 127 Ų | 127 | 60% | 0.598 | 79% | 0.786 | S | S | * | * | | | cis | -172.4 | 165.8 | -6.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1475 | P | 52.9 | Low | 43.1 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | -90.1 | 127.1 | -176.1 | 33.9 | -32.3 | 0 | 0 | 0 | 112.8 | | |
| 1476 | P | 45.6 | Very low | 43.5 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | | | | -144.7 | 162.2 | 115.7 | 35.9 | -20.9 | 0 | 0 | 0 | 113.8 | | |
| 1477 | G | 42.8 | Very low | 43.5 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | | | cis | -162.7 | 165.6 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1478 | T | 37.5 | Very low | 44.5 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 130.8 | -174.4 | 49.5 | 0 | 0 | 0 | 0 | 113 | | |
| 1479 | R | 41.9 | Very low | 45 | Very low | 249 Ų | 249 | 122.6 Ų | 122.6 | 94% | 0.94 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 121 | 160.1 | -168.9 | 172.3 | -175.3 | 170.8 | 1.7 | 109 | | |
| 1480 | G | 50.5 | Low | 45.6 | Very low | 51 Ų | 51 | 120.6 Ų | 120.6 | 53% | 0.526 | 79% | 0.794 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 165.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1481 | P | 44.7 | Very low | 45.5 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 137 | -178.5 | 28.6 | -34.8 | 0 | 0 | 0 | 111.7 | G1483 | P1481-G1483 PolarHBondContact O-N 2.91Š|
| 1482 | P | 54.1 | Low | 45.8 | Very low | 132 Ų | 132 | 120.9 Ų | 120.9 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58 | 126.7 | 162.2 | -21.8 | 34.1 | 0 | 0 | 0 | 109.9 | | |
| 1483 | G | 45.5 | Very low | 45.7 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 155.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1481 P1485 | P1481-G1483 PolarHBondContact O-N 2.91Å; G1483-P1485 WeakPolarHBondContact O-CD 3.42Å |
| 1484 | L | 36 | Very low | 45.6 | Very low | 174 Ų | 174 | 122.5 Ų | 122.5 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 125.1 | 171.2 | -71.3 | 163.9 | 0 | 0 | 0 | 110.5 | G1486 | L1484-G1486 PolarHBondContact O-N 3.23Š|
| 1485 | P | 51.8 | Low | 45.2 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 126.1 | 163.7 | -20.2 | 33.8 | 0 | 0 | 0 | 109.7 | G1483 | G1483-P1485 WeakPolarHBondContact O-CD 3.42Š|
| 1486 | G | 46.2 | Very low | 45 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 151.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1484 P1488 | L1484-G1486 PolarHBondContact O-N 3.23Å; G1486-P1488 VanDerWaalsContact O-CD 3.28Å; G1486-P1488 WeakPolarHBondContact O-CD 3.42Å |
| 1487 | I | 37.3 | Very low | 45.1 | Very low | 167 Ų | 167 | 125 Ų | 125 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 119.7 | 179.8 | -57.2 | 168.9 | 0 | 0 | 0 | 110 | | |
| 1488 | P | 57.5 | Low | 44.8 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 123.7 | 164.5 | -9.8 | 28.7 | 0 | 0 | 0 | 109.1 | G1486 | G1486-P1488 VanDerWaalsContact O-CD 3.28Å; G1486-P1488 WeakPolarHBondContact O-CD 3.42Å |
| 1489 | G | 49.6 | Very low | 44.8 | Very low | 57 Ų | 57 | 127.8 Ų | 127.8 | 59% | 0.588 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 160.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | P1491 | G1489-P1491 WeakPolarHBondContact O-CD 3.47Š|
| 1490 | P | 49.6 | Very low | 45.1 | Very low | 138 Ų | 138 | 122 Ų | 122 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 126 | -176.2 | 33.2 | -33 | 0 | 0 | 0 | 113.5 | | |
| 1491 | P | 45.8 | Very low | 44.7 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | -125 | 137.9 | 169.1 | 23.2 | -1.3 | 0 | 0 | 0 | 113.4 | G1489 | G1489-P1491 WeakPolarHBondContact O-CD 3.47Š|
| 1492 | G | 43.4 | Very low | 44.2 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | 77.4 | 97.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1493 | M | 48 | Very low | 43.4 | Very low | 188 Ų | 188 | 129.5 Ų | 129.5 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | | | trans | -88.1 | 120.7 | 145.5 | -68.9 | 177.4 | 66.5 | 0 | 0 | 107.8 | | |
| 1494 | D | 34 | Very low | 43.3 | Very low | 173 Ų | 173 | 128.8 Ų | 128.8 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | | | trans | -164.7 | 148.7 | 154.4 | -114.9 | -32.4 | 0 | 0 | 0 | 112.4 | | |
| 1495 | G | 35.9 | Very low | 43.2 | Very low | 65 Ų | 65 | 127.9 Ų | 127.9 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | | | trans | 77.2 | 108.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | P1497 | G1495-P1497 WeakPolarHBondContact O-CD 3.2Š|
| 1496 | L | 47.2 | Very low | 43.1 | Very low | 182 Ų | 182 | 128.2 Ų | 128.2 | 95% | 0.953 | 80% | 0.801 | S | S | * | * | | | trans | -87.3 | 117.3 | 160 | -87 | 168.2 | 0 | 0 | 0 | 110.1 | | |
| 1497 | P | 47.5 | Very low | 42.9 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | | | trans | -104.6 | 105.5 | 176.9 | 10.7 | 11.4 | 0 | 0 | 0 | 111.8 | G1495 | G1495-P1497 WeakPolarHBondContact O-CD 3.2Š|
| 1498 | G | 36.4 | Very low | 42.9 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | 73.9 | 118 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1499 | F | 38.2 | Very low | 42.3 | Very low | 203 Ų | 203 | 128.5 Ų | 128.5 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 132.8 | 157.1 | -74.4 | -93.8 | 0 | 0 | 0 | 109.8 | G1501 | F1499-G1501 PolarHBondContact O-N 3.31Š|
| 1500 | P | 49.2 | Very low | 42.2 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 124.2 | 153.3 | -19.8 | 33.2 | 0 | 0 | 0 | 108 | | |
| 1501 | G | 42 | Very low | 42 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 151.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1499 K1503 | F1499-G1501 PolarHBondContact O-N 3.31Å; G1501-K1503 PolarHBondContact O-N 2.87Å |
| 1502 | Q | 34.1 | Very low | 41.7 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 128.1 | 168.3 | -69.6 | 177.5 | -12.9 | 0 | 0 | 109.7 | G1504 | Q1502-G1504 PolarHBondContact O-N 3.46Å; Q1502-G1504 VanDerWaalsContact O-N 3.08Å |
| 1503 | K | 36.3 | Very low | 41.6 | Very low | 214 Ų | 214 | 130 Ų | 130 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | | | trans | -67.8 | 107.3 | 156.7 | -174.9 | 175.8 | -179.4 | 179.9 | 0 | 105.7 | G1501 | G1501-K1503 PolarHBondContact O-N 2.87Š|
| 1504 | G | 43.4 | Very low | 41.7 | Very low | 55 Ų | 55 | 129.8 Ų | 129.8 | 57% | 0.567 | 81% | 0.805 | S | S | * | * | | | trans | -57.8 | 156.5 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115 | Q1502 | Q1502-G1504 PolarHBondContact O-N 3.46Å; Q1502-G1504 VanDerWaalsContact O-N 3.08Å |
| 1505 | E | 34.1 | Very low | 42.3 | Very low | 154 Ų | 154 | 127.2 Ų | 127.2 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | trans | -51.7 | 144.5 | 165.8 | -58.5 | 176.9 | 126.2 | 0 | 0 | 110.1 | G1507 | E1505-G1507 PolarHBondContact O-N 2.85Š|
| 1506 | P | 49.1 | Very low | 42.5 | Very low | 133 Ų | 133 | 128 Ų | 128 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -53.7 | 113.2 | 158.1 | -20.2 | 33 | 0 | 0 | 0 | 107.5 | | |
| 1507 | G | 43.1 | Very low | 42.6 | Very low | 61 Ų | 61 | 125.1 Ų | 125.1 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | | | trans | -58.6 | 146.3 | -157.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1505 T1509 | E1505-G1507 PolarHBondContact O-N 2.85Å; G1507-T1509 PolarHBondContact O-N 3.44Å |
| 1508 | L | 36.2 | Very low | 42.9 | Very low | 165 Ų | 165 | 125.4 Ų | 125.4 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -45.9 | 112.5 | 164.3 | -81.1 | 157.9 | 0 | 0 | 0 | 109.6 | G1510 | L1508-G1510 PolarHBondContact O-N 2.56Å; L1508-G1510 VanDerWaalsContact O-N 3.12Å |
| 1509 | T | 45.9 | Very low | 43 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 118 | 167.4 | -59.8 | 0 | 0 | 0 | 0 | 107.5 | G1507 S1511 | G1507-T1509 PolarHBondContact O-N 3.44Å; T1509-S1511 PolarHBondContact O-N 3.39Å |
| 1510 | G | 47.1 | Very low | 43.5 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 130.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1508 D1512 | L1508-G1510 PolarHBondContact O-N 2.56Å; L1508-G1510 VanDerWaalsContact O-N 3.12Å; G1510-D1512 PolarHBondContact O-N 3.05Å |
| 1511 | S | 45.3 | Very low | 43.8 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 118.1 | 172 | 55 | 0 | 0 | 0 | 0 | 110.5 | T1509 | T1509-S1511 PolarHBondContact O-N 3.39Š|
| 1512 | D | 39.6 | Very low | 43.9 | Very low | 173 Ų | 173 | 126.7 Ų | 126.7 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | trans | -157 | 142.8 | 153.9 | -107.7 | -35.3 | 0 | 0 | 0 | 111.1 | G1510 | G1510-D1512 PolarHBondContact O-N 3.05Š|
| 1513 | G | 41.8 | Very low | 44 | Very low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | | | trans | 91.7 | 84.6 | 171 | 0 | 0 | 0 | 0 | 0 | 117.3 | P1515 | G1513-P1515 WeakPolarHBondContact O-CD 3.26Š|
| 1514 | L | 49.6 | Very low | 44.5 | Very low | 183 Ų | 183 | 127.6 Ų | 127.6 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | | | trans | -88.8 | 125.3 | 160 | -91.2 | 167.9 | 0 | 0 | 0 | 111 | | |
| 1515 | P | 46.9 | Very low | 44.7 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | | | trans | -143.7 | 126.3 | 151.6 | 33.6 | -15.7 | 0 | 0 | 0 | 115.6 | G1513 | G1513-P1515 WeakPolarHBondContact O-CD 3.26Š|
| 1516 | G | 38.8 | Very low | 44.6 | Very low | 81 Ų | 81 | 130 Ų | 130 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | | | trans | 90.4 | 113.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 1517 | S | 50.5 | Low | 44.8 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | | | trans | -113.2 | 116.6 | 170.2 | 57.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1518 | P | 53.1 | Low | 44.9 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 84% | 0.844 | 84% | 0.841 | S | S | * | * | | | trans | -106.4 | 127.8 | 178.1 | 3 | 18.6 | 0 | 0 | 0 | 115.1 | | |
| 1519 | G | 39.9 | Very low | 45.1 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | | | trans | 84.2 | 103.4 | 140.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1520 | F | 47.7 | Very low | 45.5 | Very low | 212 Ų | 212 | 133.5 Ų | 133.5 | 93% | 0.93 | 84% | 0.839 | S | S | * | * | | | trans | -96.1 | 159.4 | 161 | -77.1 | -93.5 | 0 | 0 | 0 | 112.2 | | |
| 1521 | P | 56.2 | Low | 45.6 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | | | trans | -122.8 | 119.4 | 153.3 | 18.6 | 2.1 | 0 | 0 | 0 | 114.1 | | |
| 1522 | G | 44.3 | Very low | 45.3 | Very low | 80 Ų | 80 | 133.5 Ų | 133.5 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | | | trans | 86 | 92.9 | 142.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1523 | Q | 34.3 | Very low | 45.8 | Very low | 205 Ų | 205 | 130 Ų | 130 | 96% | 0.958 | 84% | 0.842 | S | S | * | * | | | trans | -77.1 | 155.9 | 147.9 | -72.3 | -177.4 | -9.6 | 0 | 0 | 110.5 | | |
| 1524 | K | 47.4 | Very low | 46.5 | Very low | 208 Ų | 208 | 130.1 Ų | 130.1 | 90% | 0.904 | 84% | 0.844 | S | S | * | * | | | trans | -144.1 | 103.3 | 165.4 | -173.8 | -176.8 | 176.6 | -177.4 | 0 | 112.9 | | |
| 1525 | G | 46.8 | Very low | 46.5 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | | | trans | 72.4 | 102.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1526 | E | 34 | Very low | 46.7 | Very low | 185 Ų | 185 | 128.6 Ų | 128.6 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | | | trans | -68.8 | 151.6 | 158 | -61.3 | -179.4 | 135.4 | 0 | 0 | 110.9 | | |
| 1527 | L | 51.7 | Low | 47.6 | Very low | 178 Ų | 178 | 128.1 Ų | 128.1 | 93% | 0.932 | 84% | 0.837 | S | S | * | * | | | trans | -120.3 | 134.5 | 158.7 | -153.1 | 79.9 | 0 | 0 | 0 | 107.4 | | |
| 1528 | G | 46.7 | Very low | 47.8 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 83% | 0.832 | S | S | * | * | | | trans | -67.3 | 150.9 | -160 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1529 | F | 40.5 | Very low | 48.2 | Very low | 202 Ų | 202 | 127.1 Ų | 127.1 | 89% | 0.886 | 83% | 0.831 | S | S | * | * | | | trans | -64.9 | 141.2 | 178.6 | -64.4 | -91.3 | 0 | 0 | 0 | 114.3 | | |
| 1530 | P | 53.7 | Low | 49.3 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | | | trans | -122.4 | 115.2 | 150.4 | 16.4 | 4.8 | 0 | 0 | 0 | 111.9 | | |
| 1531 | G | 48.9 | Very low | 49.9 | Very low | 78 Ų | 78 | 125.5 Ų | 125.5 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | | | trans | 80.2 | 121.9 | 162 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1532 | A | 38 | Very low | 50.4 | Low | 106 Ų | 106 | 125.5 Ų | 125.5 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 123.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G1534 | A1532-G1534 PolarHBondContact O-N 2.82Š|
| 1533 | A | 51.2 | Low | 51.5 | Low | 99 Ų | 99 | 124.7 Ų | 124.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 128.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 1534 | G | 55.8 | Low | 53.1 | Low | 74 Ų | 74 | 120.7 Ų | 120.7 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 142.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | A1532 A1536 | A1532-G1534 PolarHBondContact O-N 2.82Å; G1534-A1536 PolarHBondContact O-N 2.79Å; G1534-A1536 VanDerWaalsContact O-N 3.12Å |
| 1535 | L | 49.8 | Very low | 54 | Low | 173 Ų | 173 | 117 Ų | 117 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56 | 123 | 178.1 | -79.6 | 90 | 0 | 0 | 0 | 109.7 | G1537 | L1535-G1537 PolarHBondContact O-N 3.24Å; L1535-G1537 VanDerWaalsContact O-N 3.12Å |
| 1536 | A | 52.4 | Low | 54.8 | Low | 98 Ų | 98 | 116.7 Ų | 116.7 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 118.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | G1534 S1538 | G1534-A1536 PolarHBondContact O-N 2.79Å; G1534-A1536 VanDerWaalsContact O-N 3.12Å; A1536-S1538 PolarHBondContact O-N 2.88Å |
| 1537 | G | 56.5 | Low | 56.3 | Low | 70 Ų | 70 | 114.2 Ų | 114.2 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 131.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L1535 | L1535-G1537 PolarHBondContact O-N 3.24Å; L1535-G1537 VanDerWaalsContact O-N 3.12Å |
| 1538 | S | 54.5 | Low | 57 | Low | 106 Ų | 106 | 111.8 Ų | 111.8 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 133.6 | 176.7 | 49.4 | 0 | 0 | 0 | 0 | 109.3 | A1536 G1540 | A1536-S1538 PolarHBondContact O-N 2.88Å; S1538-G1540 PolarHBondContact O-N 2.68Å; S1538-G1540 VanDerWaalsContact O-N 3.16Å |
| 1539 | P | 62.5 | Low | 57.7 | Low | 125 Ų | 125 | 111.9 Ų | 111.9 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 125.7 | 175.3 | -28.2 | 35.2 | 0 | 0 | 0 | 110 | Q1541 | P1539-Q1541 PolarHBondContact O-N 2.94Š|
| 1540 | G | 61.8 | Low | 58.8 | Low | 72 Ų | 72 | 110.7 Ų | 110.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 132.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1538 | S1538-G1540 PolarHBondContact O-N 2.68Å; S1538-G1540 VanDerWaalsContact O-N 3.16Å |
| 1541 | Q | 62.1 | Low | 59.1 | Low | 185 Ų | 185 | 110.7 Ų | 110.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 134.4 | 178.4 | -70.6 | -176.2 | -7.7 | 0 | 0 | 109.3 | P1539 G1543 | P1539-Q1541 PolarHBondContact O-N 2.94Å; Q1541-G1543 PolarHBondContact O-N 3.38Å |
| 1542 | P | 65 | Low | 59.7 | Low | 126 Ų | 126 | 109.6 Ų | 109.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 126.7 | 172.3 | -26.6 | 34.9 | 0 | 0 | 0 | 109.5 | | |
| 1543 | G | 68.9 | Low | 61 | Low | 64 Ų | 64 | 110.1 Ų | 110.1 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 142.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q1541 | Q1541-G1543 PolarHBondContact O-N 3.38Š|
| 1544 | P | 67 | Low | 60.8 | Low | 121 Ų | 121 | 111.7 Ų | 111.7 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 141.5 | -178.4 | 24.1 | -34 | 0 | 0 | 0 | 109.9 | G1546 | P1544-G1546 PolarHBondContact O-N 2.95Š|
| 1545 | P | 66.1 | Low | 60.4 | Low | 129 Ų | 129 | 110.7 Ų | 110.7 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 128.7 | 176 | -27.6 | 35.1 | 0 | 0 | 0 | 110.4 | T1547 | P1545-T1547 PolarHBondContact O-N 2.82Š|
| 1546 | G | 64.4 | Low | 60.5 | Low | 70 Ų | 70 | 108.8 Ų | 108.8 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 139.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P1544 | P1544-G1546 PolarHBondContact O-N 2.95Š|
| 1547 | T | 65.9 | Low | 60.2 | Low | 133 Ų | 133 | 107.1 Ų | 107.1 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 135.4 | -179.9 | 39.6 | 0 | 0 | 0 | 0 | 110 | P1545 G1549 | P1545-T1547 PolarHBondContact O-N 2.82Å; T1547-G1549 PolarHBondContact O-N 2.9Å; T1547-G1549 VanDerWaalsContact O-N 3.12Å |
| 1548 | P | 64.6 | Low | 59.7 | Low | 126 Ų | 126 | 112 Ų | 112 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 125.2 | 172.7 | -26.9 | 35 | 0 | 0 | 0 | 109.3 | M1550 | P1548-M1550 PolarHBondContact O-N 2.86Š|
| 1549 | G | 62.3 | Low | 59.6 | Low | 69 Ų | 69 | 115.6 Ų | 115.6 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 140.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | T1547 | T1547-G1549 PolarHBondContact O-N 2.9Å; T1547-G1549 VanDerWaalsContact O-N 3.12Å |
| 1550 | M | 64.4 | Low | 59.4 | Low | 177 Ų | 177 | 117 Ų | 117 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 136 | 178.2 | -69 | -180 | 67.4 | 0 | 0 | 109.5 | P1548 G1552 | P1548-M1550 PolarHBondContact O-N 2.86Å; M1550-G1552 PolarHBondContact O-N 2.04Å; M1550-G1552 VanDerWaalsContact O-N 3.12Å |
| 1551 | P | 59.7 | Low | 60 | Low | 123 Ų | 123 | 114.7 Ų | 114.7 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -49 | 126.1 | 170.9 | -26.3 | 34.5 | 0 | 0 | 0 | 108.8 | | |
| 1552 | G | 61.6 | Low | 61.4 | Low | 56 Ų | 56 | 109.9 Ų | 109.9 | 58% | 0.577 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 150.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | M1550 | M1550-G1552 PolarHBondContact O-N 2.04Å; M1550-G1552 VanDerWaalsContact O-N 3.12Å |
| 1553 | P | 65.2 | Low | 62.7 | Low | 117 Ų | 117 | 107.3 Ų | 107.3 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 140.2 | 170.7 | 25.4 | -34.3 | 0 | 0 | 0 | 108.2 | G1555 | P1553-G1555 PolarHBondContact O-N 2.87Š|
| 1554 | P | 47.3 | Very low | 63.9 | Low | 131 Ų | 131 | 104.3 Ų | 104.3 | 85% | 0.851 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 120.3 | 179.8 | -28.1 | 34.8 | 0 | 0 | 0 | 109.5 | | |
| 1555 | G | 47.2 | Very low | 65.3 | Low | 53 Ų | 53 | 98.6 Ų | 98.6 | 55% | 0.546 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 147.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109 | P1553 G1557 | P1553-G1555 PolarHBondContact O-N 2.87Å; G1555-G1557 WeakPolarHBondContact O-CA 3.42Å; G1555-G1557 PolarHBondContact O-N 2.79Å |
| 1556 | P | 51.4 | Low | 66.8 | Low | 134 Ų | 134 | 93.6 Ų | 93.6 | 87% | 0.87 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -50.8 | 115.1 | 176.5 | 23.3 | -33.4 | 0 | 0 | 0 | 107.7 | Y1558 | P1556-Y1558 PolarHBondContact O-N 3.17Š|
| 1557 | G | 46.5 | Very low | 68.3 | Low | 63 Ų | 63 | 91 Ų | 91 | 65% | 0.649 | 56% | 0.557 | S | S | * | * | | | trans | -52.4 | 115.2 | -150.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1555 R1559 | G1555-G1557 WeakPolarHBondContact O-CA 3.42Å; G1555-G1557 PolarHBondContact O-N 2.79Å; G1557-R1559 PolarHBondContact O-N 3.43Å |
| 1558 | Y | 46.1 | Very low | 69.7 | Low | 172 Ų | 172 | 85.4 Ų | 85.4 | 68% | 0.675 | 52% | 0.523 | S | S | * | . | | | trans | -55 | 105.5 | -177.4 | -168 | -90 | 0 | 0 | 0 | 108 | P1556 | P1556-Y1558 PolarHBondContact O-N 3.17Š|
| 1559 | R | 52.5 | Low | 71.1 | Confident | 181 Ų | 181 | 79.4 Ų | 79.4 | 68% | 0.683 | 48% | 0.484 | S | S | * | . | | | trans | -73 | 147.4 | 172.1 | -67.4 | -176.2 | 169.1 | -154 | -6.2 | 106.5 | G1557 G1561 | G1557-R1559 PolarHBondContact O-N 3.43Å; R1559-G1561 PolarHBondContact O-N 3.09Å |
| 1560 | D | 57.4 | Low | 72.7 | Confident | 154 Ų | 154 | 77.2 Ų | 77.2 | 82% | 0.824 | 46% | 0.458 | S | S | * | . | | | trans | -71.5 | 70.1 | 167.2 | -65.2 | -54.4 | 0 | 0 | 0 | 108.8 | | |
| 1561 | G | 75.5 | Confident | 74.2 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 26% | 0.258 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 142.2 | -169 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1559 A1667 | R1559-G1561 PolarHBondContact O-N 3.09Å; G1561-A1667 CarbonylContact C-O 3.5Å; G1561-A1667 WeakPolarHBondContact CA-O 2.99Å |
| 1562 | F | 90.1 | Very high | 75.9 | Confident | 83 Ų | 83 | 73.7 Ų | 73.7 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 144.8 | 174.4 | -63.8 | -89.8 | 0 | 0 | 0 | 109.4 | A1667 A1669 N1670 | F1562-A1667 PolarHBondContact N-O 2.69Å; F1562-A1667 PolarHBondContact O-N 3.29Å; F1562-A1669 WeakPolarHBondContact CB-O 3.19Å; F1562-A1669 VanDerWaalsContact CG-C 3.45Å; F1562-N1670 HydrophobicContact CD1-CB 4.37Å; F1562-N1670 VanDerWaalsContact CD1-OD1 3.29Å; F1562-N1670 WeakPolarHBondContact CD1-OD1 3.3Å; F1562-N1670 HydrophobicContact CE1-CB 4.41Å; F1562-N1670 WeakPolarHBondContact CE1-ND2 3.29Å; F1562-N1670 VanDerWaalsContact CE1-OD1 3.22Å; F1562-N1670 WeakPolarHBondContact CE1-OD1 3.25Å; F1562-N1670 WeakPolarHBondContact CZ-ND2 3.16Å |
| 1563 | V | 93 | Very high | 77.6 | Confident | 72 Ų | 72 | 74.7 Ų | 74.7 | 44% | 0.436 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.1 | -178.7 | -178.9 | 0 | 0 | 0 | 0 | 110 | A1606 V1664 | V1563-A1606 HydrophobicContact CG1-CB 4.2Å; V1563-V1664 HydrophobicContact CG1-CG1 3.3Å |
| 1564 | I | 94.4 | Very high | 79.1 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.7 | 172.9 | -54.7 | 175.5 | 0 | 0 | 0 | 108.3 | K1566 Q1580 V1664 C1665 A1667 V1671 L1691 W1692 I1781 | I1564-K1566 HydrophobicContact CG2-CG 4.48Å; I1564-Q1580 VanDerWaalsContact CD1-NE2 3.31Å; I1564-V1664 WeakPolarHBondContact O-CA 3.49Å; I1564-C1665 HydrophobicContact CB-CB 4.5Å; I1564-C1665 PolarHBondContact N-O 3.08Å; I1564-C1665 PolarHBondContact O-N 2.96Å; I1564-A1667 HydrophobicContact CD1-CB 3.38Å; I1564-A1667 HydrophobicContact CG1-CB 3.75Å; I1564-V1671 HydrophobicContact CD1-CG2 3.6Å; I1564-V1671 HydrophobicContact CG1-CB 4.47Å; I1564-V1671 HydrophobicContact CG1-CG2 3.65Å; I1564-L1691 HydrophobicContact CD1-CD1 3.83Å; I1564-W1692 HydrophobicContact CG2-CH2 4.14Å; I1564-W1692 HydrophobicContact CG2-CZ3 4.11Å; I1564-I1781 HydrophobicContact CD1-CD1 4.33Å |
| 1565 | V | 96.4 | Very high | 81.4 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.006 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 138.4 | 164.8 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | S1605 C1609 V1663 V1664 W1692 | V1565-S1605 VanDerWaalsContact CG2-C 3.44Å; V1565-S1605 WeakPolarHBondContact CG2-O 3.21Å; V1565-C1609 HydrophobicContact CG1-CB 4.12Å; V1565-V1663 WeakPolarHBondContact CA-O 3.35Å; V1565-V1664 HydrophobicContact CG2-CG1 4.43Å; V1565-V1664 HydrophobicContact CG2-CG2 4.1Å; V1565-W1692 WeakPolarHBondContact O-CH2 3.19Å |
| 1566 | K | 96.4 | Very high | 83.6 | Confident | 25 Ų | 25 | 68.2 Ų | 68.2 | 11% | 0.109 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.1 | 164.6 | -62.6 | -178.8 | -178.3 | -179.9 | 0 | 109.4 | I1564 P1574 T1575 C1662 V1663 W1692 | I1564-K1566 HydrophobicContact CG2-CG 4.48Å; K1566-P1574 HydrophobicContact CB-CB 4.13Å; K1566-P1574 HydrophobicContact CB-CG 4.12Å; K1566-P1574 WeakPolarHBondContact O-CG 3.2Å; K1566-T1575 WeakPolarHBondContact CD-O 3.44Å; K1566-T1575 PolarHBondContact NZ-O 2.71Å; K1566-C1662 CarbonylContact O-C 3.52Å; K1566-C1662 WeakPolarHBondContact O-CA 3.32Å; K1566-C1662 VanDerWaalsContact O-CB 3.29Å; K1566-C1662 WeakPolarHBondContact O-CB 3.09Å; K1566-V1663 HydrophobicContact CB-CG1 4.16Å; K1566-V1663 PolarHBondContact N-O 3.05Å; K1566-V1663 PolarHBondContact O-N 2.89Å; K1566-W1692 HydrophobicContact CD-CE3 4.44Å; K1566-W1692 HydrophobicContact CD-CZ3 4.2Å; K1566-W1692 HydrophobicContact CG-CE3 4.28Å; K1566-W1692 HydrophobicContact CG-CH2 3.89Å; K1566-W1692 HydrophobicContact CG-CZ3 3.66Å |
| 1567 | H | 96.5 | Very high | 85.4 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.6 | 167.7 | -59.6 | -85.6 | 0 | 0 | 0 | 108.8 | S1588 L1603 S1608 L1639 C1662 | H1567-S1588 WeakPolarHBondContact ND1-CB 3.4Å; H1567-S1588 PolarHBondContact ND1-OG 3.35Å; H1567-L1603 PolarHBondContact CD2-O 2.03Å; H1567-L1603 VanDerWaalsContact CD2-O 3.31Å; H1567-L1603 WeakPolarHBondContact NE2-CA 3.49Å; H1567-L1603 PolarHBondContact NE2-O 3.09Å; H1567-S1608 PolarHBondContact CE1-OG 2.79Å; H1567-S1608 PolarHBondContact NE2-OG 3.07Å; H1567-L1639 HydrophobicContact CB-CD2 3.59Å; H1567-C1662 WeakPolarHBondContact ND1-CB 3.45Å |
| 1568 | S | 95.1 | Very high | 87.3 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 10% | 0.098 | 35% | 0.351 | C | S | . | . | | | trans | -84.3 | -19.1 | -177.8 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | S1570 E1572 R1661 | S1568-S1570 WeakPolarHBondContact CB-OG 3.37Å; S1568-S1570 PolarHBondContact O-N 2.87Å; S1568-S1570 PolarHBondContact OG-N 2.88Å; S1568-S1570 PolarHBondContact OG-O 2.95Å; S1568-S1570 PolarHBondContact OG-OG 3.26Å; S1568-E1572 WeakPolarHBondContact CB-O 3.36Å; S1568-E1572 PolarHBondContact OG-O 3.29Å; S1568-R1661 PolarHBondContact N-O 2.85Å; S1568-R1661 VanDerWaalsContact N-O 3.11Å; S1568-R1661 PolarHBondContact OG-O 3.48Å |
| 1569 | Q | 94.8 | Very high | 89 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 53.3 | 30.8 | -165.9 | -56.6 | 179.4 | -101.7 | 0 | 0 | 111.7 | L1639 T1641 T1642 S1660 H1721 | Q1569-L1639 HydrophobicContact CG-CD2 3.81Å; Q1569-T1641 CarbonylContact O-C 3.54Å; Q1569-T1641 VanDerWaalsContact O-C 3.24Å; Q1569-T1641 WeakPolarHBondContact O-CA 3.41Å; Q1569-T1642 PolarHBondContact O-N 3.05Å; Q1569-S1660 VanDerWaalsContact CA-OG 3.26Å; Q1569-S1660 WeakPolarHBondContact CA-OG 3.43Å; Q1569-S1660 PolarHBondContact N-OG 3.4Å; Q1569-H1721 PolarHBondContact NE2-O 3.33Å; Q1569-H1721 PolarHBondContact OE1-O 3.42Å |
| 1570 | S | 95.6 | Very high | 90.8 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -148.2 | 174.6 | 179.3 | 79.7 | 0 | 0 | 0 | 0 | 111.3 | S1568 E1572 S1660 R1661 | S1568-S1570 WeakPolarHBondContact CB-OG 3.37Å; S1568-S1570 PolarHBondContact O-N 2.87Å; S1568-S1570 PolarHBondContact OG-N 2.88Å; S1568-S1570 PolarHBondContact OG-O 2.95Å; S1568-S1570 PolarHBondContact OG-OG 3.26Å; S1570-E1572 PolarHBondContact O-N 3.12Å; S1570-E1572 PolarHBondContact OG-N 2.67Å; S1570-E1572 VanDerWaalsContact OG-N 3.12Å; S1570-E1572 PolarHBondContact OG-O 3.29Å; S1570-S1660 WeakPolarHBondContact O-CA 3.38Å; S1570-R1661 PolarHBondContact O-N 3.13Å |
| 1571 | T | 95.8 | Very high | 92.4 | Very high | 80 Ų | 80 | 53.8 Ų | 53.8 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -74.8 | -8.7 | 172 | 48.9 | 0 | 0 | 0 | 0 | 113.3 | T1641 R1661 | T1571-T1641 HydrophobicContact CG2-CG2 4.03Å; T1571-R1661 VanDerWaalsContact C-CG 3.48Å; T1571-R1661 WeakPolarHBondContact O-CG 3.39Å |
| 1572 | E | 96.1 | Very high | 93.3 | Very high | 147 Ų | 147 | 57.3 Ų | 57.3 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -90.1 | 139.2 | -180 | -59.7 | -175.7 | 163.2 | 0 | 0 | 110.9 | S1568 S1570 R1661 | S1568-E1572 WeakPolarHBondContact CB-O 3.36Å; S1568-E1572 PolarHBondContact OG-O 3.29Å; S1570-E1572 PolarHBondContact O-N 3.12Å; S1570-E1572 PolarHBondContact OG-N 2.67Å; S1570-E1572 VanDerWaalsContact OG-N 3.12Å; S1570-E1572 PolarHBondContact OG-O 3.29Å; E1572-R1661 WeakPolarHBondContact O-CB 3.29Å |
| 1573 | I | 97.2 | Very high | 93.6 | Very high | 77 Ų | 77 | 57.1 Ų | 57.1 | 40% | 0.395 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -74 | 122.4 | 179 | -65.2 | 156.5 | 0 | 0 | 0 | 109 | D1585 R1661 V1663 | I1573-D1585 HydrophobicContact CD1-CB 4.38Å; I1573-D1585 WeakPolarHBondContact CD1-OD2 3.4Å; I1573-D1585 HydrophobicContact CG1-CB 4.35Å; I1573-D1585 HydrophobicContact CG2-CB 3.58Å; I1573-R1661 HydrophobicContact CG1-CB 4.16Å; I1573-R1661 HydrophobicContact CG1-CG 4.06Å; I1573-V1663 HydrophobicContact CG2-CB 4.41Å |
| 1574 | P | 95.5 | Very high | 93.8 | Very high | 22 Ų | 22 | 57.8 Ų | 57.8 | 14% | 0.143 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 153.8 | 178.7 | 25 | -28.5 | 0 | 0 | 0 | 111.7 | K1566 V1663 | K1566-P1574 HydrophobicContact CB-CB 4.13Å; K1566-P1574 HydrophobicContact CB-CG 4.12Å; K1566-P1574 WeakPolarHBondContact O-CG 3.2Å; P1574-V1663 HydrophobicContact CB-CG1 4.34Å; P1574-V1663 HydrophobicContact CG-CB 4.17Å; P1574-V1663 HydrophobicContact CG-CG1 3.98Å; P1574-V1663 VanDerWaalsContact O-CB 3.29Å; P1574-V1663 WeakPolarHBondContact O-CB 3.26Å; P1574-V1663 WeakPolarHBondContact O-CG1 3.28Å |
| 1575 | T | 95 | Very high | 93.9 | Very high | 112 Ų | 112 | 59.6 Ų | 59.6 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -95.4 | 141.9 | -176.8 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | K1566 | K1566-T1575 WeakPolarHBondContact CD-O 3.44Å; K1566-T1575 PolarHBondContact NZ-O 2.71Å |
| 1576 | C | 94.4 | Very high | 94 | Very high | 31 Ų | 31 | 59.6 Ų | 59.6 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 148.7 | 166.3 | -62 | 0 | 0 | 0 | 0 | 110.4 | Q1580 C1665 | C1576-Q1580 HydrophobicContact CB-CB 4.06Å; C1576-C1665 WeakPolarHBondContact CA-SG 3.5Å; C1576-C1665 HydrophobicContact CB-CB 3.88Å; C1576-C1665 WeakPolarHBondContact CB-SG 3.42Å; C1576-C1665 WeakPolarHBondContact SG-CB 3.48Å; C1576-C1665 CovalentContact SG-SG 2.04Å; C1576-C1665 PolarHBondContact SG-SG 2.76Å |
| 1577 | G | 89 | Confident | 94.1 | Very high | 16 Ų | 16 | 60.2 Ų | 60.2 | 17% | 0.165 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 168.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1579 Q1580 | G1577-G1579 PolarHBondContact O-N 2.65Å; G1577-Q1580 WeakPolarHBondContact O-CB 3.3Å; G1577-Q1580 PolarHBondContact O-N 3.44Å |
| 1578 | P | 85.7 | Confident | 94.1 | Very high | 139 Ų | 139 | 59.5 Ų | 59.5 | 90% | 0.903 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 132.8 | 172 | -24.3 | 34.7 | 0 | 0 | 0 | 111.4 | Q1580 | P1578-Q1580 PolarHBondContact O-N 2.72Š|
| 1579 | G | 82.3 | Confident | 94.2 | Very high | 87 Ų | 87 | 59.4 Ų | 59.4 | 90% | 0.897 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 0.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G1577 | G1577-G1579 PolarHBondContact O-N 2.65Š|
| 1580 | Q | 90.3 | Very high | 94.3 | Very high | 25 Ų | 25 | 59.3 Ų | 59.3 | 12% | 0.117 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -101.6 | 128.7 | 175.3 | -59.6 | 171.9 | -3.8 | 0 | 0 | 109.9 | I1564 C1576 G1577 P1578 C1665 E1666 A1667 | I1564-Q1580 VanDerWaalsContact CD1-NE2 3.31Å; C1576-Q1580 HydrophobicContact CB-CB 4.06Å; G1577-Q1580 WeakPolarHBondContact O-CB 3.3Å; G1577-Q1580 PolarHBondContact O-N 3.44Å; P1578-Q1580 PolarHBondContact O-N 2.72Å; Q1580-C1665 HydrophobicContact CB-CB 4.19Å; Q1580-E1666 CarbonylContact C-O 3.57Å; Q1580-E1666 WeakPolarHBondContact CA-O 3.48Å; Q1580-E1666 WeakPolarHBondContact CB-O 3.2Å; Q1580-A1667 HydrophobicContact CG-CB 4.22Å |
| 1581 | H | 90.9 | Very high | 94.4 | Very high | 133 Ų | 133 | 58.3 Ų | 58.3 | 62% | 0.616 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 135.3 | -179.6 | -154.4 | -80.8 | 0 | 0 | 0 | 111 | L1583 C1665 E1666 | H1581-L1583 PolarHBondContact O-N 2.79Å; H1581-C1665 CarbonylContact O-C 2.83Å; H1581-C1665 VanDerWaalsContact O-CA 3.24Å; H1581-C1665 WeakPolarHBondContact O-CA 3.23Å; H1581-E1666 HydrophobicContact CB-CB 4.4Å; H1581-E1666 PolarHBondContact N-O 3.02Å; H1581-E1666 VanDerWaalsContact N-O 3.13Å; H1581-E1666 PolarHBondContact O-N 2.92Å |
| 1582 | K | 95.2 | Very high | 94.4 | Very high | 99 Ų | 99 | 56.3 Ų | 56.3 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 131.1 | 172.8 | 178.2 | -179.1 | 172.3 | -175 | 0 | 109.6 | D1585 V1663 | K1582-D1585 VanDerWaalsContact CE-OD1 3.3Å; K1582-D1585 WeakPolarHBondContact CE-OD1 3.11Å; K1582-D1585 IonicContact NZ-OD1 2.75Å; K1582-D1585 PolarHBondContact NZ-OD1 3.46Å; K1582-V1663 HydrophobicContact CD-CG2 4.18Å; K1582-V1663 HydrophobicContact CG-CG2 3.93Å |
| 1583 | L | 95.3 | Very high | 94.3 | Very high | 79 Ų | 79 | 49.8 Ų | 49.8 | 41% | 0.414 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -54.6 | 170.3 | -61 | 177.3 | 0 | 0 | 0 | 110.2 | H1581 V1664 E1666 | H1581-L1583 PolarHBondContact O-N 2.79Å; L1583-V1664 HydrophobicContact CD1-CG1 4.37Å; L1583-V1664 PolarHBondContact N-O 2.96Å; L1583-E1666 HydrophobicContact CD1-CB 4.21Å; L1583-E1666 HydrophobicContact CD2-CB 4.14Å; L1583-E1666 HydrophobicContact CG-CB 4.16Å |
| 1584 | W | 97.5 | Very high | 94 | Very high | 87 Ų | 87 | 47.3 Ų | 47.3 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 173.9 | 170.6 | 66.9 | 93.1 | 0 | 0 | 0 | 112.2 | A1606 C1609 T1611 V1663 V1664 | W1584-A1606 HydrophobicContact CH2-CB 3.95Å; W1584-A1606 HydrophobicContact CZ2-CB 3.96Å; W1584-C1609 PolarHBondContact NE1-O 3.01Å; W1584-T1611 HydrophobicContact CB-CG2 4.17Å; W1584-T1611 VanDerWaalsContact CD1-CG2 3.43Å; W1584-T1611 HydrophobicContact CG-CG2 3.89Å; W1584-V1663 VanDerWaalsContact O-CG2 3.31Å; W1584-V1663 WeakPolarHBondContact O-CG2 3.44Å; W1584-V1664 HydrophobicContact CD2-CB 3.92Å; W1584-V1664 HydrophobicContact CD2-CG1 4.47Å; W1584-V1664 HydrophobicContact CD2-CG2 4.05Å; W1584-V1664 VanDerWaalsContact CE2-CG2 3.44Å; W1584-V1664 HydrophobicContact CE3-CB 4.23Å; W1584-V1664 HydrophobicContact CE3-CG1 4.37Å; W1584-V1664 HydrophobicContact CG-CB 4.43Å; W1584-V1664 HydrophobicContact CG-CG2 4.45Å; W1584-V1664 HydrophobicContact CH2-CB 4.3Å; W1584-V1664 HydrophobicContact CH2-CG1 3.85Å; W1584-V1664 HydrophobicContact CH2-CG2 4.39Å; W1584-V1664 HydrophobicContact CZ2-CB 4.01Å; W1584-V1664 HydrophobicContact CZ2-CG1 3.97Å; W1584-V1664 HydrophobicContact CZ2-CG2 3.65Å; W1584-V1664 HydrophobicContact CZ3-CB 4.39Å; W1584-V1664 HydrophobicContact CZ3-CG1 4.06Å; W1584-V1664 PolarHBondContact N-O 3.12Å; W1584-V1664 PolarHBondContact O-N 3.29Å |
| 1585 | D | 97.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 51.1 Ų | 51.1 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 162.6 | 165.8 | 68.9 | -86.1 | 0 | 0 | 0 | 110.8 | I1573 K1582 R1661 C1662 V1663 | I1573-D1585 HydrophobicContact CD1-CB 4.38Å; I1573-D1585 WeakPolarHBondContact CD1-OD2 3.4Å; I1573-D1585 HydrophobicContact CG1-CB 4.35Å; I1573-D1585 HydrophobicContact CG2-CB 3.58Å; K1582-D1585 VanDerWaalsContact CE-OD1 3.3Å; K1582-D1585 WeakPolarHBondContact CE-OD1 3.11Å; K1582-D1585 IonicContact NZ-OD1 2.75Å; K1582-D1585 PolarHBondContact NZ-OD1 3.46Å; D1585-R1661 IonicContact OD2-CZ 2.72Å; D1585-R1661 IonicContact OD2-NH2 3.76Å; D1585-R1661 PolarHBondContact OD2-NH2 3.39Å; D1585-C1662 WeakPolarHBondContact CA-O 3.41Å; D1585-C1662 WeakPolarHBondContact CB-O 3.04Å; D1585-V1663 HydrophobicContact CB-CG2 4.39Å |
| 1586 | G | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | -164.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1610 R1661 C1662 | G1586-L1610 CarbonylContact C-O 3.5Å; G1586-L1610 WeakPolarHBondContact CA-O 3.16Å; G1586-R1661 CarbonylContact O-C 3.41Å; G1586-R1661 VanDerWaalsContact O-CA 3.31Å; G1586-R1661 WeakPolarHBondContact O-CA 3.36Å; G1586-R1661 PolarHBondContact O-NE 2.78Å; G1586-R1661 PolarHBondContact O-NH1 2.95Å; G1586-C1662 PolarHBondContact N-O 3.49Å; G1586-C1662 PolarHBondContact O-N 3.02Å; G1586-C1662 PolarHBondContact O-SG 3.41Å; G1586-C1662 VanDerWaalsContact O-SG 3.35Å |
| 1587 | F | 98.2 | Very high | 93.4 | Very high | 39 Ų | 39 | 57.2 Ų | 57.2 | 17% | 0.171 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 144.4 | 176.9 | -57.2 | -95.9 | 0 | 0 | 0 | 109.9 | L1589 L1610 F1613 W1638 V1659 C1662 | F1587-L1589 PolarHBondContact O-N 3.37Å; F1587-L1610 PolarHBondContact N-O 2.9Å; F1587-L1610 PolarHBondContact O-N 3.05Å; F1587-F1613 HydrophobicContact CB-CB 4.34Å; F1587-F1613 HydrophobicContact CD1-CB 3.77Å; F1587-F1613 HydrophobicContact CD1-CD2 4.48Å; F1587-F1613 HydrophobicContact CD1-CG 4.4Å; F1587-F1613 HydrophobicContact CD2-CB 3.61Å; F1587-F1613 HydrophobicContact CE1-CB 3.8Å; F1587-F1613 HydrophobicContact CE2-CB 3.65Å; F1587-F1613 VanDerWaalsContact CE2-N 3.33Å; F1587-F1613 HydrophobicContact CG-CB 3.66Å; F1587-F1613 HydrophobicContact CZ-CB 3.73Å; F1587-W1638 HydrophobicContact CB-CE3 3.93Å; F1587-W1638 HydrophobicContact CB-CZ3 3.62Å; F1587-V1659 HydrophobicContact CB-CG1 4.05Å; F1587-V1659 HydrophobicContact CD1-CG1 3.87Å; F1587-V1659 HydrophobicContact CG-CG1 4.45Å; F1587-C1662 VanDerWaalsContact C-SG 3.59Å |
| 1588 | S | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 89.1 | -169.2 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | H1567 S1608 W1638 L1639 S1660 R1661 | H1567-S1588 WeakPolarHBondContact ND1-CB 3.4Å; H1567-S1588 PolarHBondContact ND1-OG 3.35Å; S1588-S1608 CarbonylContact C-O 3.53Å; S1588-S1608 WeakPolarHBondContact CA-O 3.46Å; S1588-W1638 CarbonylContact O-C 3.49Å; S1588-W1638 WeakPolarHBondContact O-CA 3.31Å; S1588-L1639 PolarHBondContact O-N 3.04Å; S1588-S1660 VanDerWaalsContact CB-O 3.29Å; S1588-S1660 WeakPolarHBondContact CB-O 3.47Å; S1588-S1660 PolarHBondContact N-O 2.77Å; S1588-S1660 WeakPolarHBondContact OG-CB 3.37Å; S1588-S1660 PolarHBondContact OG-O 3.1Å; S1588-S1660 PolarHBondContact OG-OG 3.03Å; S1588-R1661 PolarHBondContact OG-O 3.03Å; S1588-R1661 VanDerWaalsContact OG-O 3.04Å |
| 1589 | L | 97.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 56.1 Ų | 56.1 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 129.3 | 172.1 | -179.1 | 69.4 | 0 | 0 | 0 | 109.8 | F1587 I1592 Q1601 S1608 L1610 W1638 | F1587-L1589 PolarHBondContact O-N 3.37Å; L1589-I1592 HydrophobicContact CD1-CG2 4.06Å; L1589-I1592 HydrophobicContact CD2-CG2 4.36Å; L1589-Q1601 HydrophobicContact CD2-CG 4.01Å; L1589-S1608 PolarHBondContact N-O 3.14Å; L1589-S1608 WeakPolarHBondContact O-CB 3.29Å; L1589-L1610 HydrophobicContact CB-CD1 4.21Å; L1589-L1610 HydrophobicContact CB-CG 4.24Å; L1589-L1610 HydrophobicContact CD2-CD1 3.78Å; L1589-L1610 HydrophobicContact CD2-CG 4.26Å; L1589-L1610 HydrophobicContact CG-CD1 4.45Å; L1589-W1638 HydrophobicContact CB-CE3 4.11Å; L1589-W1638 HydrophobicContact CB-CH2 4.43Å; L1589-W1638 HydrophobicContact CB-CZ3 3.93Å; L1589-W1638 HydrophobicContact CD1-CD2 4.28Å; L1589-W1638 HydrophobicContact CD1-CE3 4.43Å; L1589-W1638 HydrophobicContact CD1-CH2 4.31Å; L1589-W1638 HydrophobicContact CD1-CZ2 4.14Å; L1589-W1638 HydrophobicContact CD1-CZ3 4.44Å |
| 1590 | L | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -54.8 | 173.2 | -173.6 | 68.1 | 0 | 0 | 0 | 110.5 | Q1601 L1603 Y1637 F1697 F1727 | L1590-Q1601 PolarHBondContact O-N 2.8Å; L1590-L1603 HydrophobicContact CD1-CD1 3.77Å; L1590-L1603 HydrophobicContact CD1-CD2 3.96Å; L1590-L1603 HydrophobicContact CD1-CG 3.96Å; L1590-Y1637 WeakPolarHBondContact CB-O 3.13Å; L1590-Y1637 PolarHBondContact N-O 3.32Å; L1590-F1697 HydrophobicContact CD1-CE1 4.21Å; L1590-F1727 HydrophobicContact CD2-CB 3.62Å; L1590-F1727 HydrophobicContact CD2-CD1 4.15Å; L1590-F1727 HydrophobicContact CD2-CD2 4.17Å; L1590-F1727 HydrophobicContact CD2-CG 3.73Å |
| 1591 | Y | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 162.6 | 174.5 | 72.2 | -83.2 | 0 | 0 | 0 | 112.8 | E1593 H1599 N1600 Y1637 H1700 A1702 E1706 | Y1591-E1593 HydrophobicContact CE2-CB 4.33Å; Y1591-H1599 WeakPolarHBondContact CA-O 3.46Å; Y1591-H1599 WeakPolarHBondContact CB-O 3.16Å; Y1591-N1600 WeakPolarHBondContact CB-OD1 3.33Å; Y1591-Y1637 VanDerWaalsContact CD1-CB 3.48Å; Y1591-Y1637 HydrophobicContact CD1-CD2 4.04Å; Y1591-Y1637 AromaticContact CD1-CG 3.83Å; Y1591-Y1637 HydrophobicContact CD1-CG 3.83Å; Y1591-Y1637 AromaticContact CD2-CD2 3.61Å; Y1591-Y1637 HydrophobicContact CD2-CD2 3.61Å; Y1591-Y1637 HydrophobicContact CD2-CE2 4.06Å; Y1591-Y1637 HydrophobicContact CD2-CG 4.25Å; Y1591-Y1637 VanDerWaalsContact CE1-CB 3.45Å; Y1591-Y1637 AromaticContact CE1-CD1 3.72Å; Y1591-Y1637 HydrophobicContact CE1-CD1 3.72Å; Y1591-Y1637 AromaticContact CE1-CD2 3.68Å; Y1591-Y1637 HydrophobicContact CE1-CD2 3.68Å; Y1591-Y1637 HydrophobicContact CE1-CE1 4.28Å; Y1591-Y1637 HydrophobicContact CE1-CE2 4.27Å; Y1591-Y1637 AromaticContact CE1-CG 3.35Å; Y1591-Y1637 HydrophobicContact CE1-CG 3.35Å; Y1591-Y1637 HydrophobicContact CE2-CD1 4.47Å; Y1591-Y1637 AromaticContact CE2-CD2 3.24Å; Y1591-Y1637 HydrophobicContact CE2-CD2 3.24Å; Y1591-Y1637 HydrophobicContact CE2-CE1 4.49Å; Y1591-Y1637 AromaticContact CE2-CE2 3.3Å; Y1591-Y1637 HydrophobicContact CE2-CE2 3.3Å; Y1591-Y1637 AromaticContact CE2-CG 3.85Å; Y1591-Y1637 HydrophobicContact CE2-CG 3.85Å; Y1591-Y1637 AromaticContact CE2-CZ 3.93Å; Y1591-Y1637 HydrophobicContact CG-CD2 4.02Å; Y1591-Y1637 HydrophobicContact CG-CG 4.26Å; Y1591-Y1637 AromaticContact CZ-CD1 3.68Å; Y1591-Y1637 AromaticContact CZ-CD2 3.29Å; Y1591-Y1637 AromaticContact CZ-CE1 3.79Å; Y1591-Y1637 AromaticContact CZ-CE2 3.44Å; Y1591-Y1637 VanDerWaalsContact CZ-CE2 3.44Å; Y1591-Y1637 AromaticContact CZ-CG 3.39Å; Y1591-Y1637 AromaticContact CZ-CZ 3.65Å; Y1591-Y1637 PolarHBondContact N-O 3.06Å; Y1591-Y1637 PolarHBondContact O-N 3.29Å; Y1591-Y1637 VanDerWaalsContact OH-CE1 3.3Å; Y1591-Y1637 WeakPolarHBondContact OH-CE1 3.34Å; Y1591-Y1637 VanDerWaalsContact OH-CZ 3.24Å; Y1591-H1700 AromaticContact CD1-CD2 3.76Å; Y1591-H1700 AromaticContact CD1-NE2 3.16Å; Y1591-H1700 WeakPolarHBondContact CD1-NE2 3.23Å; Y1591-H1700 AromaticContact CE1-CD2 3.4Å; Y1591-H1700 VanDerWaalsContact CE1-CD2 3.4Å; Y1591-H1700 WeakPolarHBondContact CE1-CD2 3.15Å; Y1591-H1700 AromaticContact CE1-NE2 3.34Å; Y1591-H1700 VanDerWaalsContact CE1-NE2 3.34Å; Y1591-H1700 WeakPolarHBondContact CE1-NE2 3.11Å; Y1591-A1702 WeakPolarHBondContact OH-CB 3.14Å; Y1591-E1706 PolarHBondContact OH-O 3Å |
| 1592 | I | 95.6 | Very high | 95.2 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 146.3 | 166.9 | 58.8 | 173.2 | 0 | 0 | 0 | 109.7 | L1589 S1598 H1599 P1617 F1618 | L1589-I1592 HydrophobicContact CD1-CG2 4.06Å; L1589-I1592 HydrophobicContact CD2-CG2 4.36Å; I1592-S1598 CarbonylContact O-C 3.37Å; I1592-S1598 VanDerWaalsContact O-CA 3.28Å; I1592-S1598 WeakPolarHBondContact O-CA 3.46Å; I1592-H1599 HydrophobicContact CG1-CB 4.08Å; I1592-H1599 PolarHBondContact N-O 3.1Å; I1592-H1599 PolarHBondContact O-N 2.75Å; I1592-P1617 HydrophobicContact CG2-CG 4.08Å; I1592-F1618 HydrophobicContact CB-CD1 3.9Å; I1592-F1618 HydrophobicContact CB-CE1 3.58Å; I1592-F1618 HydrophobicContact CB-CZ 4.21Å; I1592-F1618 HydrophobicContact CD1-CD1 4.03Å; I1592-F1618 HydrophobicContact CD1-CE1 4.37Å; I1592-F1618 HydrophobicContact CD1-CG 4.12Å; I1592-F1618 HydrophobicContact CG2-CD1 3.67Å; I1592-F1618 HydrophobicContact CG2-CE1 3.72Å |
| 1593 | E | 94.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 97.1 | 175.6 | -178.4 | -169.8 | 143.1 | 0 | 0 | 107.9 | Y1591 K1597 D1634 K1635 Y1637 | Y1591-E1593 HydrophobicContact CE2-CB 4.33Å; E1593-K1597 WeakPolarHBondContact CA-O 3.23Å; E1593-D1634 WeakPolarHBondContact O-CA 3.4Å; E1593-D1634 WeakPolarHBondContact O-CB 3.21Å; E1593-K1635 HydrophobicContact CB-CB 4.25Å; E1593-K1635 PolarHBondContact N-O 3.12Å; E1593-K1635 PolarHBondContact O-N 2.89Å; E1593-K1635 IonicContact OE1-NZ 3.58Å; E1593-Y1637 HydrophobicContact CB-CD2 4.49Å; E1593-Y1637 HydrophobicContact CB-CE2 3.8Å; E1593-Y1637 WeakPolarHBondContact OE2-CE2 3.31Å; E1593-Y1637 VanDerWaalsContact OE2-CZ 3.25Å; E1593-Y1637 PolarHBondContact OE2-OH 2.77Å |
| 1594 | G | 91.6 | Very high | 95.3 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 25% | 0.247 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | E1596 K1597 | G1594-E1596 PolarHBondContact O-N 2.97Å; G1594-K1597 PolarHBondContact N-O 3.11Å; G1594-K1597 VanDerWaalsContact N-O 3.1Å; G1594-K1597 PolarHBondContact O-N 2.6Å |
| 1595 | N | 89.3 | Confident | 95.2 | Very high | 103 Ų | 103 | 40.5 Ų | 40.5 | 55% | 0.551 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 43.8 | -173.8 | -173.1 | 70.5 | 0 | 0 | 0 | 112.2 | K1597 R1632 D1634 | N1595-K1597 PolarHBondContact O-N 2.72Å; N1595-K1597 VanDerWaalsContact O-N 3.15Å; N1595-R1632 PolarHBondContact OD1-NH1 2.87Å; N1595-R1632 PolarHBondContact OD1-NH2 2.77Å; N1595-D1634 PolarHBondContact N-OD1 2.89Å |
| 1596 | E | 89.2 | Confident | 95.2 | Very high | 147 Ų | 147 | 40.1 Ų | 40.1 | 69% | 0.687 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 24.6 | -176.9 | -56.8 | -179.1 | -178.3 | 0 | 0 | 114 | G1594 | G1594-E1596 PolarHBondContact O-N 2.97Š|
| 1597 | K | 93 | Very high | 95.1 | Very high | 123 Ų | 123 | 41.5 Ų | 41.5 | 54% | 0.535 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.7 | 175 | -159.9 | 80.7 | -159.9 | 92.1 | 0 | 112 | E1593 G1594 N1595 E1706 | E1593-K1597 WeakPolarHBondContact CA-O 3.23Å; G1594-K1597 PolarHBondContact N-O 3.11Å; G1594-K1597 VanDerWaalsContact N-O 3.1Å; G1594-K1597 PolarHBondContact O-N 2.6Å; N1595-K1597 PolarHBondContact O-N 2.72Å; N1595-K1597 VanDerWaalsContact O-N 3.15Å; K1597-E1706 WeakPolarHBondContact CA-OE2 3.49Å; K1597-E1706 IonicContact NZ-OE1 3.82Å; K1597-E1706 PolarHBondContact NZ-OE1 3.27Å; K1597-E1706 IonicContact NZ-OE2 2.66Å; K1597-E1706 PolarHBondContact NZ-OE2 3.04Å |
| 1598 | S | 93.2 | Very high | 95.1 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.5 | 175 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | I1592 E1706 G1707 | I1592-S1598 CarbonylContact O-C 3.37Å; I1592-S1598 VanDerWaalsContact O-CA 3.28Å; I1592-S1598 WeakPolarHBondContact O-CA 3.46Å; S1598-E1706 PolarHBondContact N-OE2 3.39Å; S1598-E1706 PolarHBondContact OG-OE2 3.12Å; S1598-G1707 PolarHBondContact OG-N 3.37Å; S1598-G1707 VanDerWaalsContact OG-N 3.08Å; S1598-G1707 PolarHBondContact OG-O 3.08Å |
| 1599 | H | 95.6 | Very high | 95.1 | Very high | 114 Ų | 114 | 39.8 Ų | 39.8 | 53% | 0.528 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119 | 165.6 | 177.5 | 78.1 | 0 | 0 | 0 | 109.3 | Y1591 I1592 Q1601 | Y1591-H1599 WeakPolarHBondContact CA-O 3.46Å; Y1591-H1599 WeakPolarHBondContact CB-O 3.16Å; I1592-H1599 HydrophobicContact CG1-CB 4.08Å; I1592-H1599 PolarHBondContact N-O 3.1Å; I1592-H1599 PolarHBondContact O-N 2.75Å; H1599-Q1601 PolarHBondContact NE2-NE2 2.95Å |
| 1600 | N | 94.4 | Very high | 95.1 | Very high | 44 Ų | 44 | 41.9 Ų | 41.9 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 152.1 | -167.3 | -64 | -98.2 | 0 | 0 | 0 | 111.8 | Y1591 H1700 G1707 G1708 | Y1591-N1600 WeakPolarHBondContact CB-OD1 3.33Å; N1600-H1700 PolarHBondContact OD1-CE1 2.84Å; N1600-H1700 PolarHBondContact OD1-NE2 3.2Å; N1600-G1707 PolarHBondContact ND2-O 2.98Å; N1600-G1707 PolarHBondContact OD1-O 3.01Å; N1600-G1708 VanDerWaalsContact OD1-CA 3.28Å; N1600-G1708 WeakPolarHBondContact OD1-CA 3.07Å; N1600-G1708 PolarHBondContact OD1-N 3.28Å |
| 1601 | Q | 95.4 | Very high | 95.2 | Very high | 49 Ų | 49 | 46 Ų | 46 | 23% | 0.229 | 26% | 0.256 | C | S | . | . | | | trans | -107.3 | 144.4 | 163.1 | -64.1 | -62.7 | -62.9 | 0 | 0 | 109.3 | L1589 L1590 H1599 Q1710 | L1589-Q1601 HydrophobicContact CD2-CG 4.01Å; L1590-Q1601 PolarHBondContact O-N 2.8Å; H1599-Q1601 PolarHBondContact NE2-NE2 2.95Å; Q1601-Q1710 PolarHBondContact O-NE2 3.41Å |
| 1602 | D | 97.1 | Very high | 95.2 | Very high | 36 Ų | 36 | 56 Ų | 56 | 19% | 0.193 | 29% | 0.294 | C | S | . | . | | | trans | -77.8 | 126.1 | 169.1 | 174.5 | 10.1 | 0 | 0 | 0 | 108.6 | G1604 S1605 S1608 Q1710 S1714 | D1602-G1604 PolarHBondContact O-N 3.14Å; D1602-G1604 PolarHBondContact OD1-N 2.99Å; D1602-S1605 WeakPolarHBondContact O-CA 3.45Å; D1602-S1605 WeakPolarHBondContact O-CB 3.22Å; D1602-S1605 PolarHBondContact O-N 3.03Å; D1602-S1605 PolarHBondContact O-OG 2.86Å; D1602-S1608 WeakPolarHBondContact O-CB 3.18Å; D1602-S1608 PolarHBondContact O-OG 2.82Å; D1602-Q1710 PolarHBondContact OD1-OE1 3.17Å; D1602-S1714 PolarHBondContact OD1-OG 3.44Å; D1602-S1714 WeakPolarHBondContact OD2-CB 3.34Å; D1602-S1714 PolarHBondContact OD2-OG 3.38Å |
| 1603 | L | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -9.5 | 178.4 | -61.3 | 170.1 | 0 | 0 | 0 | 112.6 | H1567 L1590 L1639 F1697 G1716 L1719 | H1567-L1603 PolarHBondContact CD2-O 2.03Å; H1567-L1603 VanDerWaalsContact CD2-O 3.31Å; H1567-L1603 WeakPolarHBondContact NE2-CA 3.49Å; H1567-L1603 PolarHBondContact NE2-O 3.09Å; L1590-L1603 HydrophobicContact CD1-CD1 3.77Å; L1590-L1603 HydrophobicContact CD1-CD2 3.96Å; L1590-L1603 HydrophobicContact CD1-CG 3.96Å; L1603-L1639 HydrophobicContact CD1-CD1 3.89Å; L1603-F1697 HydrophobicContact CD1-CD1 4.22Å; L1603-F1697 HydrophobicContact CD1-CE1 4.01Å; L1603-G1716 VanDerWaalsContact C-CA 3.41Å; L1603-G1716 VanDerWaalsContact CB-CA 3.47Å; L1603-L1719 HydrophobicContact CD1-CD2 4.2Å |
| 1604 | G | 95.8 | Very high | 95.2 | Very high | 9 Ų | 9 | 57.6 Ų | 57.6 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -12.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D1602 S1714 | D1602-G1604 PolarHBondContact O-N 3.14Å; D1602-G1604 PolarHBondContact OD1-N 2.99Å; G1604-S1714 WeakPolarHBondContact CA-OG 3.34Å |
| 1605 | S | 96 | Very high | 95.4 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -103.7 | 146.2 | -174.4 | 80.8 | 0 | 0 | 0 | 0 | 112.6 | V1565 D1602 G1607 S1608 | V1565-S1605 VanDerWaalsContact CG2-C 3.44Å; V1565-S1605 WeakPolarHBondContact CG2-O 3.21Å; D1602-S1605 WeakPolarHBondContact O-CA 3.45Å; D1602-S1605 WeakPolarHBondContact O-CB 3.22Å; D1602-S1605 PolarHBondContact O-N 3.03Å; D1602-S1605 PolarHBondContact O-OG 2.86Å; S1605-G1607 PolarHBondContact O-N 2.94Å; S1605-S1608 WeakPolarHBondContact O-CB 3.39Å; S1605-S1608 PolarHBondContact O-N 3.45Å; S1605-S1608 VanDerWaalsContact O-N 3.08Å; S1605-S1608 PolarHBondContact O-OG 3.14Å |
| 1606 | A | 96.5 | Very high | 95.7 | Very high | 32 Ų | 32 | 52.6 Ų | 52.6 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -55.1 | -28.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1563 W1584 S1608 C1609 V1664 | V1563-A1606 HydrophobicContact CG1-CB 4.2Å; W1584-A1606 HydrophobicContact CH2-CB 3.95Å; W1584-A1606 HydrophobicContact CZ2-CB 3.96Å; A1606-S1608 PolarHBondContact O-N 3.47Å; A1606-C1609 PolarHBondContact O-N 3.32Å; A1606-C1609 VanDerWaalsContact O-N 3.09Å; A1606-V1664 HydrophobicContact CB-CG1 4.32Å |
| 1607 | G | 96.1 | Very high | 95.9 | Very high | 28 Ų | 28 | 47.9 Ų | 47.9 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -67.3 | -18.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1605 C1609 | S1605-G1607 PolarHBondContact O-N 2.94Å; G1607-C1609 VanDerWaalsContact C-N 3.25Å; G1607-C1609 PolarHBondContact O-N 2.72Å |
| 1608 | S | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -73.2 | -12.7 | 171.1 | 65.2 | 0 | 0 | 0 | 0 | 114 | H1567 S1588 L1589 D1602 S1605 A1606 | H1567-S1608 PolarHBondContact CE1-OG 2.79Å; H1567-S1608 PolarHBondContact NE2-OG 3.07Å; S1588-S1608 CarbonylContact C-O 3.53Å; S1588-S1608 WeakPolarHBondContact CA-O 3.46Å; L1589-S1608 PolarHBondContact N-O 3.14Å; L1589-S1608 WeakPolarHBondContact O-CB 3.29Å; D1602-S1608 WeakPolarHBondContact O-CB 3.18Å; D1602-S1608 PolarHBondContact O-OG 2.82Å; S1605-S1608 WeakPolarHBondContact O-CB 3.39Å; S1605-S1608 PolarHBondContact O-N 3.45Å; S1605-S1608 VanDerWaalsContact O-N 3.08Å; S1605-S1608 PolarHBondContact O-OG 3.14Å; A1606-S1608 PolarHBondContact O-N 3.47Å |
| 1609 | C | 98.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 79.8 | -175.3 | -166.6 | 0 | 0 | 0 | 0 | 112.1 | V1565 W1584 A1606 G1607 C1662 V1664 | V1565-C1609 HydrophobicContact CG1-CB 4.12Å; W1584-C1609 PolarHBondContact NE1-O 3.01Å; A1606-C1609 PolarHBondContact O-N 3.32Å; A1606-C1609 VanDerWaalsContact O-N 3.09Å; G1607-C1609 VanDerWaalsContact C-N 3.25Å; G1607-C1609 PolarHBondContact O-N 2.72Å; C1609-C1662 WeakPolarHBondContact CA-SG 3.21Å; C1609-C1662 HydrophobicContact CB-CB 3.91Å; C1609-C1662 WeakPolarHBondContact CB-SG 3.22Å; C1609-C1662 VanDerWaalsContact SG-C 3.53Å; C1609-C1662 WeakPolarHBondContact SG-CB 3.15Å; C1609-C1662 CovalentContact SG-SG 2.03Å; C1609-C1662 PolarHBondContact SG-SG 3.36Å; C1609-V1664 HydrophobicContact CB-CG2 3.51Å |
| 1610 | L | 98.1 | Very high | 95.9 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 30% | 0.298 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 126.3 | -178.9 | -68.1 | -174.3 | 0 | 0 | 0 | 111.5 | G1586 F1587 L1589 R1612 P1617 W1638 | G1586-L1610 CarbonylContact C-O 3.5Å; G1586-L1610 WeakPolarHBondContact CA-O 3.16Å; F1587-L1610 PolarHBondContact N-O 2.9Å; F1587-L1610 PolarHBondContact O-N 3.05Å; L1589-L1610 HydrophobicContact CB-CD1 4.21Å; L1589-L1610 HydrophobicContact CB-CG 4.24Å; L1589-L1610 HydrophobicContact CD2-CD1 3.78Å; L1589-L1610 HydrophobicContact CD2-CG 4.26Å; L1589-L1610 HydrophobicContact CG-CD1 4.45Å; L1610-R1612 PolarHBondContact O-N 3.28Å; L1610-R1612 VanDerWaalsContact O-N 3.09Å; L1610-P1617 HydrophobicContact CD1-CB 4.17Å; L1610-W1638 HydrophobicContact CB-CH2 4.39Å; L1610-W1638 HydrophobicContact CB-CZ3 4.35Å; L1610-W1638 HydrophobicContact CD1-CH2 3.84Å; L1610-W1638 HydrophobicContact CD1-CZ3 4.36Å |
| 1611 | T | 97.4 | Very high | 95.9 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 53% | 0.534 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -61.3 | -19.3 | 178.8 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | W1584 | W1584-T1611 HydrophobicContact CB-CG2 4.17Å; W1584-T1611 VanDerWaalsContact CD1-CG2 3.43Å; W1584-T1611 HydrophobicContact CG-CG2 3.89Å |
| 1612 | R | 96.1 | Very high | 95.6 | Very high | 208 Ų | 208 | 47 Ų | 47 | 79% | 0.785 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -130.6 | 133.1 | 179 | -62.2 | -176.8 | -179.1 | -177.7 | 0.3 | 110.6 | L1610 | L1610-R1612 PolarHBondContact O-N 3.28Å; L1610-R1612 VanDerWaalsContact O-N 3.09Å |
| 1613 | F | 95.6 | Very high | 95.4 | Very high | 54 Ų | 54 | 52 Ų | 52 | 24% | 0.237 | 29% | 0.289 | C | S | . | . | | | trans | -81.6 | 148.8 | 169.7 | 178.4 | -100.2 | 0 | 0 | 0 | 110.8 | F1587 T1615 W1638 I1655 V1659 | F1587-F1613 HydrophobicContact CB-CB 4.34Å; F1587-F1613 HydrophobicContact CD1-CB 3.77Å; F1587-F1613 HydrophobicContact CD1-CD2 4.48Å; F1587-F1613 HydrophobicContact CD1-CG 4.4Å; F1587-F1613 HydrophobicContact CD2-CB 3.61Å; F1587-F1613 HydrophobicContact CE1-CB 3.8Å; F1587-F1613 HydrophobicContact CE2-CB 3.65Å; F1587-F1613 VanDerWaalsContact CE2-N 3.33Å; F1587-F1613 HydrophobicContact CG-CB 3.66Å; F1587-F1613 HydrophobicContact CZ-CB 3.73Å; F1613-T1615 HydrophobicContact CE1-CG2 4.13Å; F1613-T1615 HydrophobicContact CZ-CG2 4.13Å; F1613-W1638 AromaticContact CD2-CD2 3.81Å; F1613-W1638 HydrophobicContact CD2-CD2 3.81Å; F1613-W1638 AromaticContact CD2-CE2 3.65Å; F1613-W1638 AromaticContact CD2-CE3 3.99Å; F1613-W1638 HydrophobicContact CD2-CE3 3.99Å; F1613-W1638 HydrophobicContact CD2-CG 4.45Å; F1613-W1638 AromaticContact CD2-CH2 3.94Å; F1613-W1638 HydrophobicContact CD2-CH2 3.94Å; F1613-W1638 AromaticContact CD2-CZ2 3.73Å; F1613-W1638 HydrophobicContact CD2-CZ2 3.73Å; F1613-W1638 HydrophobicContact CD2-CZ3 4.07Å; F1613-W1638 AromaticContact CE2-CD1 3.77Å; F1613-W1638 AromaticContact CE2-CD2 3.68Å; F1613-W1638 HydrophobicContact CE2-CD2 3.68Å; F1613-W1638 AromaticContact CE2-CE2 3.43Å; F1613-W1638 VanDerWaalsContact CE2-CE2 3.43Å; F1613-W1638 HydrophobicContact CE2-CE3 4.33Å; F1613-W1638 AromaticContact CE2-CG 3.91Å; F1613-W1638 HydrophobicContact CE2-CG 3.91Å; F1613-W1638 AromaticContact CE2-CZ2 3.9Å; F1613-W1638 HydrophobicContact CE2-CZ2 3.9Å; F1613-W1638 AromaticContact CE2-NE1 3.47Å; F1613-I1655 HydrophobicContact CE1-CG2 3.68Å; F1613-I1655 HydrophobicContact CE2-CG2 4.28Å; F1613-I1655 HydrophobicContact CZ-CG2 3.49Å; F1613-I1655 VanDerWaalsContact CZ-CG2 3.49Å; F1613-V1659 HydrophobicContact CD2-CG1 4.11Å; F1613-V1659 HydrophobicContact CD2-CG2 4.24Å; F1613-V1659 HydrophobicContact CE2-CG1 4.33Å; F1613-V1659 HydrophobicContact CE2-CG2 3.75Å; F1613-V1659 HydrophobicContact CZ-CG2 4.27Å |
| 1614 | S | 95.1 | Very high | 95.2 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 21% | 0.21 | 32% | 0.317 | C | S | . | . | | | trans | -157.4 | 148.5 | 160.8 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | M1616 Y1629 W1638 | S1614-M1616 WeakPolarHBondContact CB-O 3.19Å; S1614-M1616 PolarHBondContact O-N 2.73Å; S1614-M1616 PolarHBondContact OG-N 3.18Å; S1614-M1616 PolarHBondContact OG-O 2.75Å; S1614-Y1629 PolarHBondContact OG-OH 3Å; S1614-W1638 VanDerWaalsContact O-CZ2 3.24Å; S1614-W1638 WeakPolarHBondContact O-CZ2 3.14Å |
| 1615 | T | 95.9 | Very high | 95 | Very high | 17 Ų | 17 | 63.6 Ų | 63.6 | 10% | 0.104 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -64.1 | -23.1 | 167.6 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | F1613 S1636 I1655 C1730 G1732 | F1613-T1615 HydrophobicContact CE1-CG2 4.13Å; F1613-T1615 HydrophobicContact CZ-CG2 4.13Å; T1615-S1636 PolarHBondContact O-OG 3.03Å; T1615-I1655 HydrophobicContact CG2-CD1 3.95Å; T1615-C1730 HydrophobicContact CG2-CB 4.05Å; T1615-G1732 WeakPolarHBondContact O-CA 3.29Å; T1615-G1732 PolarHBondContact OG1-O 3.48Å |
| 1616 | M | 95.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | | | trans | -128.7 | 92.9 | 169.6 | -164.1 | 71.4 | 90.9 | 0 | 0 | 109.8 | S1614 F1618 Y1629 A1630 D1634 | S1614-M1616 WeakPolarHBondContact CB-O 3.19Å; S1614-M1616 PolarHBondContact O-N 2.73Å; S1614-M1616 PolarHBondContact OG-N 3.18Å; S1614-M1616 PolarHBondContact OG-O 2.75Å; M1616-F1618 VanDerWaalsContact C-N 3.28Å; M1616-F1618 VanDerWaalsContact CG-O 3.29Å; M1616-F1618 WeakPolarHBondContact CG-O 3.47Å; M1616-F1618 PolarHBondContact O-N 2.98Å; M1616-F1618 HydrophobicContact SD-CD1 4.23Å; M1616-F1618 HydrophobicContact SD-CE1 3.73Å; M1616-F1618 HydrophobicContact SD-CE2 4.17Å; M1616-F1618 HydrophobicContact SD-CZ 3.72Å; M1616-Y1629 HydrophobicContact CB-CE2 4.1Å; M1616-Y1629 HydrophobicContact CG-CD2 4.37Å; M1616-Y1629 HydrophobicContact CG-CE2 4.01Å; M1616-Y1629 VanDerWaalsContact O-CE2 3.32Å; M1616-Y1629 WeakPolarHBondContact O-CE2 3.49Å; M1616-Y1629 PolarHBondContact O-OH 2.78Å; M1616-Y1629 VanDerWaalsContact O-OH 3.06Å; M1616-A1630 HydrophobicContact CB-CB 4.36Å; M1616-A1630 HydrophobicContact CE-CB 4.48Å; M1616-A1630 HydrophobicContact CG-CB 4.43Å; M1616-D1634 HydrophobicContact CE-CB 3.72Å; M1616-D1634 WeakPolarHBondContact CE-O 3.21Å; M1616-D1634 HydrophobicContact SD-CB 4.13Å |
| 1617 | P | 95 | Very high | 94.7 | Very high | 47 Ų | 47 | 67.3 Ų | 67.3 | 31% | 0.305 | 37% | 0.369 | S | S | . | . | | | trans | -85.6 | 7 | 179.8 | 33.7 | -33.9 | 0 | 0 | 0 | 113.7 | I1592 L1610 W1638 | I1592-P1617 HydrophobicContact CG2-CG 4.08Å; L1610-P1617 HydrophobicContact CD1-CB 4.17Å; P1617-W1638 HydrophobicContact CB-CZ2 4.26Å; P1617-W1638 HydrophobicContact CG-CZ2 3.97Å |
| 1618 | F | 94.8 | Very high | 94.5 | Very high | 39 Ų | 39 | 68.3 Ų | 68.3 | 17% | 0.171 | 37% | 0.367 | C | S | . | . | | | trans | -141 | 173.9 | -177.7 | 63.8 | -81.6 | 0 | 0 | 0 | 111.6 | I1592 M1616 Y1629 D1634 K1635 | I1592-F1618 HydrophobicContact CB-CD1 3.9Å; I1592-F1618 HydrophobicContact CB-CE1 3.58Å; I1592-F1618 HydrophobicContact CB-CZ 4.21Å; I1592-F1618 HydrophobicContact CD1-CD1 4.03Å; I1592-F1618 HydrophobicContact CD1-CE1 4.37Å; I1592-F1618 HydrophobicContact CD1-CG 4.12Å; I1592-F1618 HydrophobicContact CG2-CD1 3.67Å; I1592-F1618 HydrophobicContact CG2-CE1 3.72Å; M1616-F1618 VanDerWaalsContact C-N 3.28Å; M1616-F1618 VanDerWaalsContact CG-O 3.29Å; M1616-F1618 WeakPolarHBondContact CG-O 3.47Å; M1616-F1618 PolarHBondContact O-N 2.98Å; M1616-F1618 HydrophobicContact SD-CD1 4.23Å; M1616-F1618 HydrophobicContact SD-CE1 3.73Å; M1616-F1618 HydrophobicContact SD-CE2 4.17Å; M1616-F1618 HydrophobicContact SD-CZ 3.72Å; F1618-Y1629 WeakPolarHBondContact O-CD2 3.06Å; F1618-D1634 HydrophobicContact CE2-CB 4.15Å; F1618-D1634 HydrophobicContact CZ-CB 3.91Å; F1618-K1635 WeakPolarHBondContact CE1-O 3.2Å |
| 1619 | L | 94.2 | Very high | 94.2 | Very high | 97 Ų | 97 | 73.8 Ų | 73.8 | 51% | 0.508 | 39% | 0.389 | S | S | . | . | | | trans | -134.9 | 166.9 | 170.2 | 58.8 | 77 | 0 | 0 | 0 | 109.2 | C1621 C1627 N1628 Y1629 | L1619-C1621 VanDerWaalsContact CD1-SG 3.54Å; L1619-C1627 HydrophobicContact CD1-CB 4.42Å; L1619-N1628 WeakPolarHBondContact CB-O 3.35Å; L1619-Y1629 HydrophobicContact CB-CD2 4.15Å |
| 1620 | F | 93.1 | Very high | 93.9 | Very high | 66 Ų | 66 | 74.4 Ų | 74.4 | 29% | 0.289 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 141.4 | 168.8 | 65.3 | -90.4 | 0 | 0 | 0 | 110.4 | C1627 N1628 R1632 D1634 | F1620-C1627 CarbonylContact O-C 3.46Å; F1620-C1627 WeakPolarHBondContact O-CA 3.4Å; F1620-N1628 HydrophobicContact CD1-CB 4.38Å; F1620-N1628 HydrophobicContact CD2-CB 4.22Å; F1620-N1628 HydrophobicContact CE1-CB 3.85Å; F1620-N1628 HydrophobicContact CE2-CB 3.67Å; F1620-N1628 HydrophobicContact CZ-CB 3.46Å; F1620-N1628 VanDerWaalsContact CZ-CB 3.46Å; F1620-N1628 PolarHBondContact N-O 3.13Å; F1620-N1628 VanDerWaalsContact N-O 3.12Å; F1620-N1628 PolarHBondContact O-N 2.95Å; F1620-R1632 HydrophobicContact CE1-CB 3.77Å; F1620-R1632 HydrophobicContact CE1-CG 4.48Å; F1620-R1632 HydrophobicContact CZ-CB 4Å; F1620-D1634 WeakPolarHBondContact CD1-OD2 3.03Å; F1620-D1634 VanDerWaalsContact CE1-OD2 3.25Å; F1620-D1634 WeakPolarHBondContact CE1-OD2 3.4Å |
| 1621 | C | 93.8 | Very high | 93.4 | Very high | 68 Ų | 68 | 74.3 Ų | 74.3 | 46% | 0.459 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141.1 | 172.6 | -52.8 | 0 | 0 | 0 | 0 | 109.2 | L1619 V1626 C1627 | L1619-C1621 VanDerWaalsContact CD1-SG 3.54Å; C1621-V1626 WeakPolarHBondContact CA-O 3.47Å; C1621-C1627 HydrophobicContact CB-CB 4.07Å; C1621-C1627 WeakPolarHBondContact CB-SG 3.39Å; C1621-C1627 WeakPolarHBondContact SG-CB 3.46Å; C1621-C1627 CovalentContact SG-SG 2.04Å; C1621-C1627 PolarHBondContact SG-SG 2.89Å |
| 1622 | D | 89.4 | Confident | 92.9 | Very high | 62 Ų | 62 | 74.5 Ų | 74.5 | 33% | 0.332 | 39% | 0.389 | S | S | . | . | | | trans | -86.8 | 175.9 | 172.7 | 78.5 | -2.7 | 0 | 0 | 0 | 112.1 | N1624 N1625 V1626 | D1622-N1624 PolarHBondContact O-N 3.23Å; D1622-N1624 VanDerWaalsContact OD1-CA 3.3Å; D1622-N1624 WeakPolarHBondContact OD1-CA 3.34Å; D1622-N1624 VanDerWaalsContact OD1-CB 3.29Å; D1622-N1624 WeakPolarHBondContact OD1-CB 3.39Å; D1622-N1624 PolarHBondContact OD1-N 2.94Å; D1622-N1624 PolarHBondContact OD2-ND2 3.49Å; D1622-N1625 PolarHBondContact O-N 3.16Å; D1622-N1625 PolarHBondContact OD1-N 3.06Å; D1622-V1626 PolarHBondContact N-O 2.66Å; D1622-V1626 WeakPolarHBondContact OD1-CB 3.31Å; D1622-V1626 PolarHBondContact OD1-N 2.81Å |
| 1623 | V | 92.8 | Very high | 92.5 | Very high | 139 Ų | 139 | 70.7 Ų | 70.7 | 84% | 0.842 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -6.2 | 176.8 | -63.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1624 | N | 93.2 | Very high | 92.4 | Very high | 112 Ų | 112 | 68.3 Ų | 68.3 | 60% | 0.599 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 1.6 | 176.9 | -50.5 | -62.7 | 0 | 0 | 0 | 112 | D1622 V1626 | D1622-N1624 PolarHBondContact O-N 3.23Å; D1622-N1624 VanDerWaalsContact OD1-CA 3.3Å; D1622-N1624 WeakPolarHBondContact OD1-CA 3.34Å; D1622-N1624 VanDerWaalsContact OD1-CB 3.29Å; D1622-N1624 WeakPolarHBondContact OD1-CB 3.39Å; D1622-N1624 PolarHBondContact OD1-N 2.94Å; D1622-N1624 PolarHBondContact OD2-ND2 3.49Å; N1624-V1626 VanDerWaalsContact C-N 3.31Å; N1624-V1626 HydrophobicContact CB-CG2 4.27Å |
| 1625 | N | 90.3 | Very high | 92.4 | Very high | 142 Ų | 142 | 68.2 Ų | 68.2 | 76% | 0.759 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 69 | 22.3 | -171.2 | -45.6 | -85.9 | 0 | 0 | 0 | 113.9 | D1622 | D1622-N1625 PolarHBondContact O-N 3.16Å; D1622-N1625 PolarHBondContact OD1-N 3.06Å |
| 1626 | V | 92.7 | Very high | 92.4 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | | | trans | -91.3 | 106.9 | 172.7 | -174.6 | 0 | 0 | 0 | 0 | 109 | C1621 D1622 N1624 N1628 | C1621-V1626 WeakPolarHBondContact CA-O 3.47Å; D1622-V1626 PolarHBondContact N-O 2.66Å; D1622-V1626 WeakPolarHBondContact OD1-CB 3.31Å; D1622-V1626 PolarHBondContact OD1-N 2.81Å; N1624-V1626 VanDerWaalsContact C-N 3.31Å; N1624-V1626 HydrophobicContact CB-CG2 4.27Å; V1626-N1628 PolarHBondContact O-ND2 3.15Å |
| 1627 | C | 94.3 | Very high | 92.5 | Very high | 75 Ų | 75 | 67.1 Ų | 67.1 | 51% | 0.507 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.4 | 175.5 | -60 | 0 | 0 | 0 | 0 | 111.2 | L1619 F1620 C1621 | L1619-C1627 HydrophobicContact CD1-CB 4.42Å; F1620-C1627 CarbonylContact O-C 3.46Å; F1620-C1627 WeakPolarHBondContact O-CA 3.4Å; C1621-C1627 HydrophobicContact CB-CB 4.07Å; C1621-C1627 WeakPolarHBondContact CB-SG 3.39Å; C1621-C1627 WeakPolarHBondContact SG-CB 3.46Å; C1621-C1627 CovalentContact SG-SG 2.04Å; C1621-C1627 PolarHBondContact SG-SG 2.89Å |
| 1628 | N | 91.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 64.9 Ų | 64.9 | 26% | 0.262 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.7 | -179.3 | -67.9 | -94.3 | 0 | 0 | 0 | 109.1 | L1619 F1620 V1626 | L1619-N1628 WeakPolarHBondContact CB-O 3.35Å; F1620-N1628 HydrophobicContact CD1-CB 4.38Å; F1620-N1628 HydrophobicContact CD2-CB 4.22Å; F1620-N1628 HydrophobicContact CE1-CB 3.85Å; F1620-N1628 HydrophobicContact CE2-CB 3.67Å; F1620-N1628 HydrophobicContact CZ-CB 3.46Å; F1620-N1628 VanDerWaalsContact CZ-CB 3.46Å; F1620-N1628 PolarHBondContact N-O 3.13Å; F1620-N1628 VanDerWaalsContact N-O 3.12Å; F1620-N1628 PolarHBondContact O-N 2.95Å; V1626-N1628 PolarHBondContact O-ND2 3.15Å |
| 1629 | Y | 92.8 | Very high | 92.7 | Very high | 115 Ų | 115 | 63 Ų | 63 | 45% | 0.451 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -121.1 | 123 | 177.2 | 173.4 | -101.7 | 0 | 0 | 0 | 109.2 | S1614 M1616 F1618 L1619 S1631 | S1614-Y1629 PolarHBondContact OG-OH 3Å; M1616-Y1629 HydrophobicContact CB-CE2 4.1Å; M1616-Y1629 HydrophobicContact CG-CD2 4.37Å; M1616-Y1629 HydrophobicContact CG-CE2 4.01Å; M1616-Y1629 VanDerWaalsContact O-CE2 3.32Å; M1616-Y1629 WeakPolarHBondContact O-CE2 3.49Å; M1616-Y1629 PolarHBondContact O-OH 2.78Å; M1616-Y1629 VanDerWaalsContact O-OH 3.06Å; F1618-Y1629 WeakPolarHBondContact O-CD2 3.06Å; L1619-Y1629 HydrophobicContact CB-CD2 4.15Å; Y1629-S1631 PolarHBondContact O-N 3.34Å; Y1629-S1631 PolarHBondContact O-OG 3.01Å |
| 1630 | A | 91.4 | Very high | 92.8 | Very high | 16 Ų | 16 | 58.4 Ų | 58.4 | 13% | 0.132 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 58.4 | -8.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | M1616 R1632 A1733 | M1616-A1630 HydrophobicContact CB-CB 4.36Å; M1616-A1630 HydrophobicContact CE-CB 4.48Å; M1616-A1630 HydrophobicContact CG-CB 4.43Å; A1630-R1632 PolarHBondContact O-N 3.37Å; A1630-A1733 WeakPolarHBondContact O-CA 2.88Å; A1630-A1733 WeakPolarHBondContact O-CB 3.29Å |
| 1631 | S | 87 | Confident | 92.8 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | | | trans | -69 | 18.8 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 116.4 | D523 Y1629 | D523-S1631 WeakPolarHBondContact OD2-CA 3.29Å; D523-S1631 WeakPolarHBondContact OD2-CB 3.1Å; D523-S1631 PolarHBondContact OD2-OG 2.94Å; Y1629-S1631 PolarHBondContact O-N 3.34Å; Y1629-S1631 PolarHBondContact O-OG 3.01Å |
| 1632 | R | 86.8 | Confident | 92.4 | Very high | 92 Ų | 92 | 55.9 Ų | 55.9 | 35% | 0.347 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -151.2 | 159 | -180 | -171.4 | 172.9 | -179.9 | -168 | -5.7 | 111.3 | N1595 F1620 A1630 D1634 | N1595-R1632 PolarHBondContact OD1-NH1 2.87Å; N1595-R1632 PolarHBondContact OD1-NH2 2.77Å; F1620-R1632 HydrophobicContact CE1-CB 3.77Å; F1620-R1632 HydrophobicContact CE1-CG 4.48Å; F1620-R1632 HydrophobicContact CZ-CB 4Å; A1630-R1632 PolarHBondContact O-N 3.37Å; R1632-D1634 WeakPolarHBondContact CB-OD2 3.08Å; R1632-D1634 PolarHBondContact O-N 2.76Å |
| 1633 | N | 89.2 | Confident | 92.3 | Very high | 127 Ų | 127 | 56.7 Ų | 56.7 | 68% | 0.679 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -65.1 | 22.8 | 176.9 | -60.4 | -38.3 | 0 | 0 | 0 | 115.4 | | |
| 1634 | D | 93.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | | | trans | -71.7 | 160.1 | 174.3 | -53.9 | -51.5 | 0 | 0 | 0 | 110.6 | E1593 N1595 M1616 F1618 F1620 R1632 G1732 | E1593-D1634 WeakPolarHBondContact O-CA 3.4Å; E1593-D1634 WeakPolarHBondContact O-CB 3.21Å; N1595-D1634 PolarHBondContact N-OD1 2.89Å; M1616-D1634 HydrophobicContact CE-CB 3.72Å; M1616-D1634 WeakPolarHBondContact CE-O 3.21Å; M1616-D1634 HydrophobicContact SD-CB 4.13Å; F1618-D1634 HydrophobicContact CE2-CB 4.15Å; F1618-D1634 HydrophobicContact CZ-CB 3.91Å; F1620-D1634 WeakPolarHBondContact CD1-OD2 3.03Å; F1620-D1634 VanDerWaalsContact CE1-OD2 3.25Å; F1620-D1634 WeakPolarHBondContact CE1-OD2 3.4Å; R1632-D1634 WeakPolarHBondContact CB-OD2 3.08Å; R1632-D1634 PolarHBondContact O-N 2.76Å; D1634-G1732 PolarHBondContact O-N 3.32Å; D1634-G1732 VanDerWaalsContact O-N 3.14Å |
| 1635 | K | 94.5 | Very high | 91.8 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 12% | 0.117 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 161.7 | -166.4 | -50.7 | 178.7 | -175.2 | 172.7 | 0 | 113.6 | E1593 F1618 Y1637 E1729 C1730 N1731 | E1593-K1635 HydrophobicContact CB-CB 4.25Å; E1593-K1635 PolarHBondContact N-O 3.12Å; E1593-K1635 PolarHBondContact O-N 2.89Å; E1593-K1635 IonicContact OE1-NZ 3.58Å; F1618-K1635 WeakPolarHBondContact CE1-O 3.2Å; K1635-Y1637 HydrophobicContact CB-CE2 3.98Å; K1635-Y1637 HydrophobicContact CD-CE2 4.34Å; K1635-E1729 HydrophobicContact CD-CG 4.01Å; K1635-E1729 WeakPolarHBondContact CD-OE1 3.08Å; K1635-E1729 WeakPolarHBondContact CE-OE1 3.41Å; K1635-E1729 IonicContact NZ-OE1 2.62Å; K1635-E1729 PolarHBondContact NZ-OE1 3.14Å; K1635-C1730 WeakPolarHBondContact CA-O 3.24Å; K1635-C1730 WeakPolarHBondContact CB-O 3.49Å; K1635-N1731 WeakPolarHBondContact CE-OD1 3.45Å |
| 1636 | S | 96.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 149.1 | 166.8 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | T1615 W1638 C1730 | T1615-S1636 PolarHBondContact O-OG 3.03Å; S1636-W1638 PolarHBondContact OG-NE1 3.48Å; S1636-C1730 PolarHBondContact N-O 2.83Å; S1636-C1730 WeakPolarHBondContact O-CB 3.43Å; S1636-C1730 PolarHBondContact O-N 3.36Å |
| 1637 | Y | 97.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131 | -178.3 | -66.1 | -100.9 | 0 | 0 | 0 | 109.5 | L1590 Y1591 E1593 K1635 A1702 A1703 F1727 I1728 E1729 | L1590-Y1637 WeakPolarHBondContact CB-O 3.13Å; L1590-Y1637 PolarHBondContact N-O 3.32Å; Y1591-Y1637 VanDerWaalsContact CD1-CB 3.48Å; Y1591-Y1637 HydrophobicContact CD1-CD2 4.04Å; Y1591-Y1637 AromaticContact CD1-CG 3.83Å; Y1591-Y1637 HydrophobicContact CD1-CG 3.83Å; Y1591-Y1637 AromaticContact CD2-CD2 3.61Å; Y1591-Y1637 HydrophobicContact CD2-CD2 3.61Å; Y1591-Y1637 HydrophobicContact CD2-CE2 4.06Å; Y1591-Y1637 HydrophobicContact CD2-CG 4.25Å; Y1591-Y1637 VanDerWaalsContact CE1-CB 3.45Å; Y1591-Y1637 AromaticContact CE1-CD1 3.72Å; Y1591-Y1637 HydrophobicContact CE1-CD1 3.72Å; Y1591-Y1637 AromaticContact CE1-CD2 3.68Å; Y1591-Y1637 HydrophobicContact CE1-CD2 3.68Å; Y1591-Y1637 HydrophobicContact CE1-CE1 4.28Å; Y1591-Y1637 HydrophobicContact CE1-CE2 4.27Å; Y1591-Y1637 AromaticContact CE1-CG 3.35Å; Y1591-Y1637 HydrophobicContact CE1-CG 3.35Å; Y1591-Y1637 HydrophobicContact CE2-CD1 4.47Å; Y1591-Y1637 AromaticContact CE2-CD2 3.24Å; Y1591-Y1637 HydrophobicContact CE2-CD2 3.24Å; Y1591-Y1637 HydrophobicContact CE2-CE1 4.49Å; Y1591-Y1637 AromaticContact CE2-CE2 3.3Å; Y1591-Y1637 HydrophobicContact CE2-CE2 3.3Å; Y1591-Y1637 AromaticContact CE2-CG 3.85Å; Y1591-Y1637 HydrophobicContact CE2-CG 3.85Å; Y1591-Y1637 AromaticContact CE2-CZ 3.93Å; Y1591-Y1637 HydrophobicContact CG-CD2 4.02Å; Y1591-Y1637 HydrophobicContact CG-CG 4.26Å; Y1591-Y1637 AromaticContact CZ-CD1 3.68Å; Y1591-Y1637 AromaticContact CZ-CD2 3.29Å; Y1591-Y1637 AromaticContact CZ-CE1 3.79Å; Y1591-Y1637 AromaticContact CZ-CE2 3.44Å; Y1591-Y1637 VanDerWaalsContact CZ-CE2 3.44Å; Y1591-Y1637 AromaticContact CZ-CG 3.39Å; Y1591-Y1637 AromaticContact CZ-CZ 3.65Å; Y1591-Y1637 PolarHBondContact N-O 3.06Å; Y1591-Y1637 PolarHBondContact O-N 3.29Å; Y1591-Y1637 VanDerWaalsContact OH-CE1 3.3Å; Y1591-Y1637 WeakPolarHBondContact OH-CE1 3.34Å; Y1591-Y1637 VanDerWaalsContact OH-CZ 3.24Å; E1593-Y1637 HydrophobicContact CB-CD2 4.49Å; E1593-Y1637 HydrophobicContact CB-CE2 3.8Å; E1593-Y1637 WeakPolarHBondContact OE2-CE2 3.31Å; E1593-Y1637 VanDerWaalsContact OE2-CZ 3.25Å; E1593-Y1637 PolarHBondContact OE2-OH 2.77Å; K1635-Y1637 HydrophobicContact CB-CE2 3.98Å; K1635-Y1637 HydrophobicContact CD-CE2 4.34Å; Y1637-A1702 HydrophobicContact CD1-CB 4.4Å; Y1637-A1702 HydrophobicContact CE1-CB 3.52Å; Y1637-A1703 VanDerWaalsContact OH-CB 3.28Å; Y1637-A1703 WeakPolarHBondContact OH-CB 3.47Å; Y1637-A1703 PolarHBondContact OH-N 3.17Å; Y1637-F1727 AromaticContact CD1-CD2 3.94Å; Y1637-F1727 HydrophobicContact CD1-CD2 3.94Å; Y1637-F1727 AromaticContact CD1-CE2 3.9Å; Y1637-F1727 HydrophobicContact CD1-CE2 3.9Å; Y1637-F1727 HydrophobicContact CE1-CE2 4.34Å; Y1637-I1728 WeakPolarHBondContact CA-O 3.43Å; Y1637-E1729 HydrophobicContact CD1-CB 3.63Å; Y1637-E1729 HydrophobicContact CD1-CG 3.98Å; Y1637-E1729 HydrophobicContact CE1-CB 3.39Å; Y1637-E1729 HydrophobicContact CE1-CG 3.34Å; Y1637-E1729 WeakPolarHBondContact CE1-OE2 3.34Å; Y1637-E1729 HydrophobicContact CE2-CG 4.39Å |
| 1638 | W | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.6 | -169.5 | -57.3 | 80.6 | 0 | 0 | 0 | 109.6 | F1587 S1588 L1589 L1610 F1613 S1614 P1617 S1636 S1640 V1659 F1727 I1728 | F1587-W1638 HydrophobicContact CB-CE3 3.93Å; F1587-W1638 HydrophobicContact CB-CZ3 3.62Å; S1588-W1638 CarbonylContact O-C 3.49Å; S1588-W1638 WeakPolarHBondContact O-CA 3.31Å; L1589-W1638 HydrophobicContact CB-CE3 4.11Å; L1589-W1638 HydrophobicContact CB-CH2 4.43Å; L1589-W1638 HydrophobicContact CB-CZ3 3.93Å; L1589-W1638 HydrophobicContact CD1-CD2 4.28Å; L1589-W1638 HydrophobicContact CD1-CE3 4.43Å; L1589-W1638 HydrophobicContact CD1-CH2 4.31Å; L1589-W1638 HydrophobicContact CD1-CZ2 4.14Å; L1589-W1638 HydrophobicContact CD1-CZ3 4.44Å; L1610-W1638 HydrophobicContact CB-CH2 4.39Å; L1610-W1638 HydrophobicContact CB-CZ3 4.35Å; L1610-W1638 HydrophobicContact CD1-CH2 3.84Å; L1610-W1638 HydrophobicContact CD1-CZ3 4.36Å; F1613-W1638 AromaticContact CD2-CD2 3.81Å; F1613-W1638 HydrophobicContact CD2-CD2 3.81Å; F1613-W1638 AromaticContact CD2-CE2 3.65Å; F1613-W1638 AromaticContact CD2-CE3 3.99Å; F1613-W1638 HydrophobicContact CD2-CE3 3.99Å; F1613-W1638 HydrophobicContact CD2-CG 4.45Å; F1613-W1638 AromaticContact CD2-CH2 3.94Å; F1613-W1638 HydrophobicContact CD2-CH2 3.94Å; F1613-W1638 AromaticContact CD2-CZ2 3.73Å; F1613-W1638 HydrophobicContact CD2-CZ2 3.73Å; F1613-W1638 HydrophobicContact CD2-CZ3 4.07Å; F1613-W1638 AromaticContact CE2-CD1 3.77Å; F1613-W1638 AromaticContact CE2-CD2 3.68Å; F1613-W1638 HydrophobicContact CE2-CD2 3.68Å; F1613-W1638 AromaticContact CE2-CE2 3.43Å; F1613-W1638 VanDerWaalsContact CE2-CE2 3.43Å; F1613-W1638 HydrophobicContact CE2-CE3 4.33Å; F1613-W1638 AromaticContact CE2-CG 3.91Å; F1613-W1638 HydrophobicContact CE2-CG 3.91Å; F1613-W1638 AromaticContact CE2-CZ2 3.9Å; F1613-W1638 HydrophobicContact CE2-CZ2 3.9Å; F1613-W1638 AromaticContact CE2-NE1 3.47Å; S1614-W1638 VanDerWaalsContact O-CZ2 3.24Å; S1614-W1638 WeakPolarHBondContact O-CZ2 3.14Å; P1617-W1638 HydrophobicContact CB-CZ2 4.26Å; P1617-W1638 HydrophobicContact CG-CZ2 3.97Å; S1636-W1638 PolarHBondContact OG-NE1 3.48Å; W1638-S1640 PolarHBondContact O-N 3.45Å; W1638-V1659 HydrophobicContact CB-CG1 4.03Å; W1638-V1659 HydrophobicContact CB-CG2 4.34Å; W1638-V1659 HydrophobicContact CD2-CG1 4.41Å; W1638-V1659 HydrophobicContact CE3-CG1 4.19Å; W1638-V1659 HydrophobicContact CG-CG1 4.38Å; W1638-F1727 CarbonylContact O-C 3.53Å; W1638-F1727 WeakPolarHBondContact O-CA 3.43Å; W1638-F1727 WeakPolarHBondContact O-CB 3.25Å; W1638-I1728 HydrophobicContact CB-CG2 4.21Å; W1638-I1728 PolarHBondContact N-O 3.45Å; W1638-I1728 PolarHBondContact O-N 3.08Å |
| 1639 | L | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 132.8 | 174.4 | -157.7 | 78.8 | 0 | 0 | 0 | 108.8 | H1567 Q1569 S1588 L1603 S1660 L1719 P1726 | H1567-L1639 HydrophobicContact CB-CD2 3.59Å; Q1569-L1639 HydrophobicContact CG-CD2 3.81Å; S1588-L1639 PolarHBondContact O-N 3.04Å; L1603-L1639 HydrophobicContact CD1-CD1 3.89Å; L1639-S1660 WeakPolarHBondContact O-CB 3.05Å; L1639-S1660 PolarHBondContact O-N 3.29Å; L1639-L1719 HydrophobicContact CD1-CD1 4.21Å; L1639-L1719 HydrophobicContact CD1-CD2 4.39Å; L1639-L1719 HydrophobicContact CD2-CD2 4.01Å; L1639-P1726 WeakPolarHBondContact CA-O 3.37Å; L1639-P1726 VanDerWaalsContact CD1-O 3.28Å; L1639-P1726 WeakPolarHBondContact CD1-O 3.28Å; L1639-P1726 WeakPolarHBondContact CG-O 3.45Å |
| 1640 | S | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -86.5 | 156.4 | -171.2 | 63.6 | 0 | 0 | 0 | 0 | 112.7 | W1638 H1658 T1725 P1726 F1727 Y1739 | W1638-S1640 PolarHBondContact O-N 3.45Å; S1640-H1658 WeakPolarHBondContact CA-O 3.32Å; S1640-T1725 PolarHBondContact OG-O 3.03Å; S1640-P1726 PolarHBondContact N-O 3.25Å; S1640-P1726 WeakPolarHBondContact OG-CA 3.47Å; S1640-P1726 PolarHBondContact OG-O 3.05Å; S1640-F1727 PolarHBondContact OG-N 2.92Å; S1640-Y1739 VanDerWaalsContact CB-OH 3.26Å; S1640-Y1739 WeakPolarHBondContact CB-OH 3.33Å |
| 1641 | T | 94.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | | | trans | -73.3 | -179.6 | 168.1 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | Q1569 T1571 E1643 Q1657 H1658 V1659 R1723 | Q1569-T1641 CarbonylContact O-C 3.54Å; Q1569-T1641 VanDerWaalsContact O-C 3.24Å; Q1569-T1641 WeakPolarHBondContact O-CA 3.41Å; T1571-T1641 HydrophobicContact CG2-CG2 4.03Å; T1641-E1643 PolarHBondContact O-N 3.15Å; T1641-E1643 WeakPolarHBondContact OG1-CB 3.3Å; T1641-E1643 PolarHBondContact OG1-N 3.01Å; T1641-Q1657 WeakPolarHBondContact CB-O 3.48Å; T1641-Q1657 VanDerWaalsContact CG2-O 3.3Å; T1641-Q1657 WeakPolarHBondContact CG2-O 3.43Å; T1641-Q1657 PolarHBondContact OG1-O 2.91Å; T1641-H1658 PolarHBondContact N-O 3.01Å; T1641-H1658 VanDerWaalsContact N-O 3.14Å; T1641-H1658 WeakPolarHBondContact OG1-CA 3.28Å; T1641-V1659 WeakPolarHBondContact CG2-O 3.28Å; T1641-R1723 PolarHBondContact O-NH1 3.5Å |
| 1642 | T | 86 | Confident | 92 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -76.9 | 3.4 | 167.2 | 42.1 | 0 | 0 | 0 | 0 | 114.5 | Q1569 R1723 | Q1569-T1642 PolarHBondContact O-N 3.05Å; T1642-R1723 VanDerWaalsContact C-CZ 3.49Å; T1642-R1723 VanDerWaalsContact C-NH2 3.29Å; T1642-R1723 VanDerWaalsContact CA-CZ 3.45Å; T1642-R1723 PolarHBondContact O-NH2 2.95Å |
| 1643 | E | 85.9 | Confident | 92.1 | Very high | 79 Ų | 79 | 59.1 Ų | 59.1 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 162.7 | -178.5 | -168 | 41.4 | -113.8 | 0 | 0 | 112.8 | T1641 R1723 | T1641-E1643 PolarHBondContact O-N 3.15Å; T1641-E1643 WeakPolarHBondContact OG1-CB 3.3Å; T1641-E1643 PolarHBondContact OG1-N 3.01Å; E1643-R1723 PolarHBondContact O-NH1 3.43Å; E1643-R1723 PolarHBondContact O-NH2 3.11Å |
| 1644 | S | 85.9 | Confident | 92.3 | Very high | 76 Ų | 76 | 58.7 Ų | 58.7 | 53% | 0.531 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 154.9 | 171.6 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | P1646 | S1644-P1646 WeakPolarHBondContact O-CD 3.41Š|
| 1645 | I | 90 | Very high | 92.4 | Very high | 92 Ų | 92 | 58.6 Ų | 58.6 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 118.7 | 178.1 | -67.9 | 175.1 | 0 | 0 | 0 | 108.5 | Y1739 | I1645-Y1739 HydrophobicContact CB-CD2 4.39Å; I1645-Y1739 HydrophobicContact CG1-CD2 4.18Å; I1645-Y1739 HydrophobicContact CG1-CE2 4.48Å; I1645-Y1739 HydrophobicContact CG1-CG 4.21Å; I1645-Y1739 HydrophobicContact CG2-CD2 3.89Å; I1645-Y1739 HydrophobicContact CG2-CG 4.11Å |
| 1646 | P | 91.4 | Very high | 92.3 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 16% | 0.156 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -69 | 146 | 179.1 | 29.1 | -35.7 | 0 | 0 | 0 | 111 | S1644 M1648 V1650 Y1739 | S1644-P1646 WeakPolarHBondContact O-CD 3.41Å; P1646-M1648 PolarHBondContact O-N 3.26Å; P1646-V1650 HydrophobicContact CB-CG1 3.83Å; P1646-V1650 HydrophobicContact CG-CG1 3.84Å; P1646-Y1739 HydrophobicContact CG-CD2 4.43Å |
| 1647 | M | 89.7 | Confident | 92.2 | Very high | 180 Ų | 180 | 68.4 Ų | 68.4 | 89% | 0.887 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -74.4 | -10.3 | -178.8 | -71.3 | -64.9 | -58.9 | 0 | 0 | 114.1 | | |
| 1648 | M | 92.4 | Very high | 92.1 | Very high | 141 Ų | 141 | 68.8 Ų | 68.8 | 70% | 0.695 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -143.4 | 160 | -179.5 | -62.9 | -171.1 | -64.8 | 0 | 0 | 109.3 | P1646 V1650 H1738 | P1646-M1648 PolarHBondContact O-N 3.26Å; M1648-V1650 PolarHBondContact O-N 3.11Å; M1648-H1738 VanDerWaalsContact C-CD2 3.41Å; M1648-H1738 PolarHBondContact O-CD2 2.89Å |
| 1649 | P | 93.2 | Very high | 92.1 | Very high | 68 Ų | 68 | 68.9 Ų | 68.9 | 44% | 0.442 | 35% | 0.354 | S | S | . | . | | | trans | -58.1 | 126.5 | 173 | -23.9 | 34.7 | 0 | 0 | 0 | 111.9 | T1736 C1737 H1738 | P1649-T1736 HydrophobicContact CB-CG2 4.35Å; P1649-C1737 WeakPolarHBondContact CA-O 3.42Å; P1649-H1738 HydrophobicContact CB-CB 4.01Å; P1649-H1738 HydrophobicContact CG-CB 4.05Å |
| 1650 | V | 94.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 68.9 Ų | 68.9 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 145.6 | 176.7 | -74.2 | 0 | 0 | 0 | 0 | 110.7 | P1646 M1648 E1654 I1655 T1736 C1737 | P1646-V1650 HydrophobicContact CB-CG1 3.83Å; P1646-V1650 HydrophobicContact CG-CG1 3.84Å; M1648-V1650 PolarHBondContact O-N 3.11Å; V1650-E1654 HydrophobicContact CB-CB 3.83Å; V1650-E1654 HydrophobicContact CG1-CB 4.01Å; V1650-I1655 HydrophobicContact CB-CG1 4.47Å; V1650-I1655 HydrophobicContact CG2-CG1 4.06Å; V1650-I1655 WeakPolarHBondContact O-CG1 3.32Å; V1650-T1736 CarbonylContact O-C 3.49Å; V1650-T1736 VanDerWaalsContact O-CA 3.23Å; V1650-T1736 WeakPolarHBondContact O-CA 3.42Å; V1650-C1737 HydrophobicContact CG2-CB 4.35Å; V1650-C1737 VanDerWaalsContact CG2-O 3.32Å; V1650-C1737 WeakPolarHBondContact CG2-O 3.1Å; V1650-C1737 PolarHBondContact N-O 3.19Å; V1650-C1737 PolarHBondContact O-N 3Å |
| 1651 | A | 93.1 | Very high | 92.3 | Very high | 35 Ų | 35 | 70.5 Ų | 70.5 | 29% | 0.289 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 161.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1653 E1654 T1736 | A1651-R1653 PolarHBondContact O-N 3.37Å; A1651-R1653 VanDerWaalsContact O-N 3.12Å; A1651-E1654 WeakPolarHBondContact O-CB 3.43Å; A1651-E1654 PolarHBondContact O-N 3.24Å; A1651-T1736 HydrophobicContact CB-CG2 3.8Å |
| 1652 | D | 89.1 | Confident | 92.4 | Very high | 140 Ų | 140 | 70.4 Ų | 70.4 | 75% | 0.749 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | 44.9 | -113.8 | 172.4 | -59.3 | -45.4 | 0 | 0 | 0 | 113.6 | I1655 | D1652-I1655 WeakPolarHBondContact O-CB 3.4Š|
| 1653 | R | 89.8 | Confident | 93 | Very high | 159 Ų | 159 | 66.8 Ų | 66.8 | 60% | 0.6 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -76.4 | -21 | -177.9 | -67.8 | -172 | 179.8 | -173.6 | 2.8 | 114.3 | D62 A1651 I1655 E1656 | D62-R1653 IonicContact OD1-CZ 2.64Å; D62-R1653 IonicContact OD1-NH1 3.25Å; D62-R1653 PolarHBondContact OD1-NH1 2.95Å; D62-R1653 IonicContact OD1-NH2 2.98Å; D62-R1653 PolarHBondContact OD1-NH2 3.09Å; D62-R1653 IonicContact OD2-NH1 2.65Å; D62-R1653 PolarHBondContact OD2-NH1 2.78Å; A1651-R1653 PolarHBondContact O-N 3.37Å; A1651-R1653 VanDerWaalsContact O-N 3.12Å; R1653-I1655 PolarHBondContact O-N 2.98Å; R1653-E1656 VanDerWaalsContact O-CB 3.29Å; R1653-E1656 WeakPolarHBondContact O-CB 3.49Å; R1653-E1656 PolarHBondContact O-N 2.78Å; R1653-E1656 VanDerWaalsContact O-N 3.13Å |
| 1654 | E | 92.6 | Very high | 93.6 | Very high | 118 Ų | 118 | 63 Ų | 63 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -68 | -22.1 | 177.9 | -62.7 | -179.7 | 170.7 | 0 | 0 | 111.4 | V1650 A1651 E1656 H1658 | V1650-E1654 HydrophobicContact CB-CB 3.83Å; V1650-E1654 HydrophobicContact CG1-CB 4.01Å; A1651-E1654 WeakPolarHBondContact O-CB 3.43Å; A1651-E1654 PolarHBondContact O-N 3.24Å; E1654-E1656 VanDerWaalsContact C-N 3.28Å; E1654-E1656 PolarHBondContact O-N 3.3Å; E1654-H1658 PolarHBondContact O-CE1 3.49Å; E1654-H1658 PolarHBondContact O-ND1 2.87Å |
| 1655 | I | 95.3 | Very high | 94 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -64.5 | -32.2 | 173.2 | -60.6 | 165.8 | 0 | 0 | 0 | 111.6 | F1613 T1615 V1650 D1652 R1653 Q1657 H1658 V1659 G1735 C1737 | F1613-I1655 HydrophobicContact CE1-CG2 3.68Å; F1613-I1655 HydrophobicContact CE2-CG2 4.28Å; F1613-I1655 HydrophobicContact CZ-CG2 3.49Å; F1613-I1655 VanDerWaalsContact CZ-CG2 3.49Å; T1615-I1655 HydrophobicContact CG2-CD1 3.95Å; V1650-I1655 HydrophobicContact CB-CG1 4.47Å; V1650-I1655 HydrophobicContact CG2-CG1 4.06Å; V1650-I1655 WeakPolarHBondContact O-CG1 3.32Å; D1652-I1655 WeakPolarHBondContact O-CB 3.4Å; R1653-I1655 PolarHBondContact O-N 2.98Å; I1655-Q1657 PolarHBondContact O-N 2.79Å; I1655-H1658 PolarHBondContact O-N 3.12Å; I1655-V1659 HydrophobicContact CG2-CG2 3.76Å; I1655-V1659 PolarHBondContact O-N 3.16Å; I1655-G1735 WeakPolarHBondContact CD1-O 3.33Å; I1655-C1737 HydrophobicContact CG1-CB 4.2Å; I1655-C1737 HydrophobicContact CG2-CB 4.27Å; I1655-C1737 WeakPolarHBondContact CG2-SG 3.09Å |
| 1656 | E | 92.8 | Very high | 94.2 | Very high | 116 Ų | 116 | 57.5 Ų | 57.5 | 54% | 0.542 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -58.8 | -35.8 | -176.3 | -169.4 | 175.2 | -174.2 | 0 | 0 | 112.1 | R1653 E1654 H1658 | R1653-E1656 VanDerWaalsContact O-CB 3.29Å; R1653-E1656 WeakPolarHBondContact O-CB 3.49Å; R1653-E1656 PolarHBondContact O-N 2.78Å; R1653-E1656 VanDerWaalsContact O-N 3.13Å; E1654-E1656 VanDerWaalsContact C-N 3.28Å; E1654-E1656 PolarHBondContact O-N 3.3Å; E1656-H1658 PolarHBondContact O-N 3.01Å |
| 1657 | Q | 94.4 | Very high | 94.2 | Very high | 116 Ų | 116 | 56.6 Ų | 56.6 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -69.3 | -16.1 | 177.1 | -65.8 | -179.7 | -10.9 | 0 | 0 | 113.8 | T1641 I1655 | T1641-Q1657 WeakPolarHBondContact CB-O 3.48Å; T1641-Q1657 VanDerWaalsContact CG2-O 3.3Å; T1641-Q1657 WeakPolarHBondContact CG2-O 3.43Å; T1641-Q1657 PolarHBondContact OG1-O 2.91Å; I1655-Q1657 PolarHBondContact O-N 2.79Å |
| 1658 | H | 95.2 | Very high | 94.1 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -109.4 | -10 | -171.1 | -63.1 | 90.5 | 0 | 0 | 0 | 114.2 | S1640 T1641 E1654 I1655 E1656 I1728 | S1640-H1658 WeakPolarHBondContact CA-O 3.32Å; T1641-H1658 PolarHBondContact N-O 3.01Å; T1641-H1658 VanDerWaalsContact N-O 3.14Å; T1641-H1658 WeakPolarHBondContact OG1-CA 3.28Å; E1654-H1658 PolarHBondContact O-CE1 3.49Å; E1654-H1658 PolarHBondContact O-ND1 2.87Å; I1655-H1658 PolarHBondContact O-N 3.12Å; E1656-H1658 PolarHBondContact O-N 3.01Å; H1658-I1728 HydrophobicContact CB-CD1 3.84Å |
| 1659 | V | 96.7 | Very high | 94 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -105.4 | 122.9 | -178.2 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | F1587 F1613 W1638 T1641 I1655 I1728 | F1587-V1659 HydrophobicContact CB-CG1 4.05Å; F1587-V1659 HydrophobicContact CD1-CG1 3.87Å; F1587-V1659 HydrophobicContact CG-CG1 4.45Å; F1613-V1659 HydrophobicContact CD2-CG1 4.11Å; F1613-V1659 HydrophobicContact CD2-CG2 4.24Å; F1613-V1659 HydrophobicContact CE2-CG1 4.33Å; F1613-V1659 HydrophobicContact CE2-CG2 3.75Å; F1613-V1659 HydrophobicContact CZ-CG2 4.27Å; W1638-V1659 HydrophobicContact CB-CG1 4.03Å; W1638-V1659 HydrophobicContact CB-CG2 4.34Å; W1638-V1659 HydrophobicContact CD2-CG1 4.41Å; W1638-V1659 HydrophobicContact CE3-CG1 4.19Å; W1638-V1659 HydrophobicContact CG-CG1 4.38Å; T1641-V1659 WeakPolarHBondContact CG2-O 3.28Å; I1655-V1659 HydrophobicContact CG2-CG2 3.76Å; I1655-V1659 PolarHBondContact O-N 3.16Å; V1659-I1728 HydrophobicContact CG2-CG2 4.34Å |
| 1660 | S | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | | | trans | -64 | 136.5 | 179.4 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | Q1569 S1570 S1588 L1639 | Q1569-S1660 VanDerWaalsContact CA-OG 3.26Å; Q1569-S1660 WeakPolarHBondContact CA-OG 3.43Å; Q1569-S1660 PolarHBondContact N-OG 3.4Å; S1570-S1660 WeakPolarHBondContact O-CA 3.38Å; S1588-S1660 VanDerWaalsContact CB-O 3.29Å; S1588-S1660 WeakPolarHBondContact CB-O 3.47Å; S1588-S1660 PolarHBondContact N-O 2.77Å; S1588-S1660 WeakPolarHBondContact OG-CB 3.37Å; S1588-S1660 PolarHBondContact OG-O 3.1Å; S1588-S1660 PolarHBondContact OG-OG 3.03Å; L1639-S1660 WeakPolarHBondContact O-CB 3.05Å; L1639-S1660 PolarHBondContact O-N 3.29Å |
| 1661 | R | 97.8 | Very high | 93.9 | Very high | 34 Ų | 34 | 46.7 Ų | 46.7 | 13% | 0.128 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 164.4 | 164 | -58 | -61.3 | -64.2 | 162.1 | -1 | 111.9 | S1568 S1570 T1571 E1572 I1573 D1585 G1586 S1588 | S1568-R1661 PolarHBondContact N-O 2.85Å; S1568-R1661 VanDerWaalsContact N-O 3.11Å; S1568-R1661 PolarHBondContact OG-O 3.48Å; S1570-R1661 PolarHBondContact O-N 3.13Å; T1571-R1661 VanDerWaalsContact C-CG 3.48Å; T1571-R1661 WeakPolarHBondContact O-CG 3.39Å; E1572-R1661 WeakPolarHBondContact O-CB 3.29Å; I1573-R1661 HydrophobicContact CG1-CB 4.16Å; I1573-R1661 HydrophobicContact CG1-CG 4.06Å; D1585-R1661 IonicContact OD2-CZ 2.72Å; D1585-R1661 IonicContact OD2-NH2 3.76Å; D1585-R1661 PolarHBondContact OD2-NH2 3.39Å; G1586-R1661 CarbonylContact O-C 3.41Å; G1586-R1661 VanDerWaalsContact O-CA 3.31Å; G1586-R1661 WeakPolarHBondContact O-CA 3.36Å; G1586-R1661 PolarHBondContact O-NE 2.78Å; G1586-R1661 PolarHBondContact O-NH1 2.95Å; S1588-R1661 PolarHBondContact OG-O 3.03Å; S1588-R1661 VanDerWaalsContact OG-O 3.04Å |
| 1662 | C | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 162.7 | 173.2 | 56.7 | 0 | 0 | 0 | 0 | 111 | K1566 H1567 D1585 G1586 F1587 C1609 | K1566-C1662 CarbonylContact O-C 3.52Å; K1566-C1662 WeakPolarHBondContact O-CA 3.32Å; K1566-C1662 VanDerWaalsContact O-CB 3.29Å; K1566-C1662 WeakPolarHBondContact O-CB 3.09Å; H1567-C1662 WeakPolarHBondContact ND1-CB 3.45Å; D1585-C1662 WeakPolarHBondContact CA-O 3.41Å; D1585-C1662 WeakPolarHBondContact CB-O 3.04Å; G1586-C1662 PolarHBondContact N-O 3.49Å; G1586-C1662 PolarHBondContact O-N 3.02Å; G1586-C1662 PolarHBondContact O-SG 3.41Å; G1586-C1662 VanDerWaalsContact O-SG 3.35Å; F1587-C1662 VanDerWaalsContact C-SG 3.59Å; C1609-C1662 WeakPolarHBondContact CA-SG 3.21Å; C1609-C1662 HydrophobicContact CB-CB 3.91Å; C1609-C1662 WeakPolarHBondContact CB-SG 3.22Å; C1609-C1662 VanDerWaalsContact SG-C 3.53Å; C1609-C1662 WeakPolarHBondContact SG-CB 3.15Å; C1609-C1662 CovalentContact SG-SG 2.03Å; C1609-C1662 PolarHBondContact SG-SG 3.36Å |
| 1663 | V | 97.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 147.2 | 170.3 | 77.2 | 0 | 0 | 0 | 0 | 109.3 | V1565 K1566 I1573 P1574 K1582 W1584 D1585 | V1565-V1663 WeakPolarHBondContact CA-O 3.35Å; K1566-V1663 HydrophobicContact CB-CG1 4.16Å; K1566-V1663 PolarHBondContact N-O 3.05Å; K1566-V1663 PolarHBondContact O-N 2.89Å; I1573-V1663 HydrophobicContact CG2-CB 4.41Å; P1574-V1663 HydrophobicContact CB-CG1 4.34Å; P1574-V1663 HydrophobicContact CG-CB 4.17Å; P1574-V1663 HydrophobicContact CG-CG1 3.98Å; P1574-V1663 VanDerWaalsContact O-CB 3.29Å; P1574-V1663 WeakPolarHBondContact O-CB 3.26Å; P1574-V1663 WeakPolarHBondContact O-CG1 3.28Å; K1582-V1663 HydrophobicContact CD-CG2 4.18Å; K1582-V1663 HydrophobicContact CG-CG2 3.93Å; W1584-V1663 VanDerWaalsContact O-CG2 3.31Å; W1584-V1663 WeakPolarHBondContact O-CG2 3.44Å; D1585-V1663 HydrophobicContact CB-CG2 4.39Å |
| 1664 | V | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.5 | 172.8 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | V1563 I1564 V1565 L1583 W1584 A1606 C1609 | V1563-V1664 HydrophobicContact CG1-CG1 3.3Å; I1564-V1664 WeakPolarHBondContact O-CA 3.49Å; V1565-V1664 HydrophobicContact CG2-CG1 4.43Å; V1565-V1664 HydrophobicContact CG2-CG2 4.1Å; L1583-V1664 HydrophobicContact CD1-CG1 4.37Å; L1583-V1664 PolarHBondContact N-O 2.96Å; W1584-V1664 HydrophobicContact CD2-CB 3.92Å; W1584-V1664 HydrophobicContact CD2-CG1 4.47Å; W1584-V1664 HydrophobicContact CD2-CG2 4.05Å; W1584-V1664 VanDerWaalsContact CE2-CG2 3.44Å; W1584-V1664 HydrophobicContact CE3-CB 4.23Å; W1584-V1664 HydrophobicContact CE3-CG1 4.37Å; W1584-V1664 HydrophobicContact CG-CB 4.43Å; W1584-V1664 HydrophobicContact CG-CG2 4.45Å; W1584-V1664 HydrophobicContact CH2-CB 4.3Å; W1584-V1664 HydrophobicContact CH2-CG1 3.85Å; W1584-V1664 HydrophobicContact CH2-CG2 4.39Å; W1584-V1664 HydrophobicContact CZ2-CB 4.01Å; W1584-V1664 HydrophobicContact CZ2-CG1 3.97Å; W1584-V1664 HydrophobicContact CZ2-CG2 3.65Å; W1584-V1664 HydrophobicContact CZ3-CB 4.39Å; W1584-V1664 HydrophobicContact CZ3-CG1 4.06Å; W1584-V1664 PolarHBondContact N-O 3.12Å; W1584-V1664 PolarHBondContact O-N 3.29Å; A1606-V1664 HydrophobicContact CB-CG1 4.32Å; C1609-V1664 HydrophobicContact CB-CG2 3.51Å |
| 1665 | C | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.3 | -174 | -49 | 0 | 0 | 0 | 0 | 111 | I1564 C1576 Q1580 H1581 | I1564-C1665 HydrophobicContact CB-CB 4.5Å; I1564-C1665 PolarHBondContact N-O 3.08Å; I1564-C1665 PolarHBondContact O-N 2.96Å; C1576-C1665 WeakPolarHBondContact CA-SG 3.5Å; C1576-C1665 HydrophobicContact CB-CB 3.88Å; C1576-C1665 WeakPolarHBondContact CB-SG 3.42Å; C1576-C1665 WeakPolarHBondContact SG-CB 3.48Å; C1576-C1665 CovalentContact SG-SG 2.04Å; C1576-C1665 PolarHBondContact SG-SG 2.76Å; Q1580-C1665 HydrophobicContact CB-CB 4.19Å; H1581-C1665 CarbonylContact O-C 2.83Å; H1581-C1665 VanDerWaalsContact O-CA 3.24Å; H1581-C1665 WeakPolarHBondContact O-CA 3.23Å |
| 1666 | E | 94.1 | Very high | 95.2 | Very high | 52 Ų | 52 | 32.6 Ų | 32.6 | 24% | 0.243 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 138 | 165.3 | -169.9 | -170.9 | 150.7 | 0 | 0 | 109.7 | Q1580 H1581 L1583 | Q1580-E1666 CarbonylContact C-O 3.57Å; Q1580-E1666 WeakPolarHBondContact CA-O 3.48Å; Q1580-E1666 WeakPolarHBondContact CB-O 3.2Å; H1581-E1666 HydrophobicContact CB-CB 4.4Å; H1581-E1666 PolarHBondContact N-O 3.02Å; H1581-E1666 VanDerWaalsContact N-O 3.13Å; H1581-E1666 PolarHBondContact O-N 2.92Å; L1583-E1666 HydrophobicContact CD1-CB 4.21Å; L1583-E1666 HydrophobicContact CD2-CB 4.14Å; L1583-E1666 HydrophobicContact CG-CB 4.16Å |
| 1667 | A | 90.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.033 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 153.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1561 F1562 I1564 Q1580 A1669 I1781 | G1561-A1667 CarbonylContact C-O 3.5Å; G1561-A1667 WeakPolarHBondContact CA-O 2.99Å; F1562-A1667 PolarHBondContact N-O 2.69Å; F1562-A1667 PolarHBondContact O-N 3.29Å; I1564-A1667 HydrophobicContact CD1-CB 3.38Å; I1564-A1667 HydrophobicContact CG1-CB 3.75Å; Q1580-A1667 HydrophobicContact CG-CB 4.22Å; A1667-A1669 VanDerWaalsContact C-N 3.27Å; A1667-A1669 PolarHBondContact O-N 3.36Å; A1667-I1781 HydrophobicContact CB-CD1 4.08Å |
| 1668 | S | 88.3 | Confident | 95.3 | Very high | 77 Ų | 77 | 27.8 Ų | 27.8 | 54% | 0.538 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -71.7 | -12.5 | -176.4 | 51.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1669 | A | 91.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -157.2 | 160.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1562 A1667 I1781 R1782 V1784 | F1562-A1669 WeakPolarHBondContact CB-O 3.19Å; F1562-A1669 VanDerWaalsContact CG-C 3.45Å; A1667-A1669 VanDerWaalsContact C-N 3.27Å; A1667-A1669 PolarHBondContact O-N 3.36Å; A1669-I1781 HydrophobicContact CB-CD1 4.33Å; A1669-I1781 HydrophobicContact CB-CG1 3.92Å; A1669-R1782 HydrophobicContact CB-CB 4.05Å; A1669-R1782 WeakPolarHBondContact CB-O 3.47Å; A1669-V1784 HydrophobicContact CB-CG2 3.56Å |
| 1670 | N | 91.4 | Very high | 95.1 | Very high | 85 Ų | 85 | 36.6 Ų | 36.6 | 46% | 0.455 | 21% | 0.206 | S | C | . | . | | | trans | -50.3 | 144.9 | 170.3 | -88.4 | -63.1 | 0 | 0 | 0 | 112.4 | F1562 W1688 R1782 | F1562-N1670 HydrophobicContact CD1-CB 4.37Å; F1562-N1670 VanDerWaalsContact CD1-OD1 3.29Å; F1562-N1670 WeakPolarHBondContact CD1-OD1 3.3Å; F1562-N1670 HydrophobicContact CE1-CB 4.41Å; F1562-N1670 WeakPolarHBondContact CE1-ND2 3.29Å; F1562-N1670 VanDerWaalsContact CE1-OD1 3.22Å; F1562-N1670 WeakPolarHBondContact CE1-OD1 3.25Å; F1562-N1670 WeakPolarHBondContact CZ-ND2 3.16Å; N1670-W1688 HydrophobicContact CB-CH2 4.28Å; N1670-W1688 WeakPolarHBondContact O-CZ3 3.41Å; N1670-R1782 PolarHBondContact O-N 3.22Å |
| 1671 | V | 94.1 | Very high | 95 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 138.1 | 177 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | I1564 L1691 P1715 V1779 C1780 I1781 | I1564-V1671 HydrophobicContact CD1-CG2 3.6Å; I1564-V1671 HydrophobicContact CG1-CB 4.47Å; I1564-V1671 HydrophobicContact CG1-CG2 3.65Å; V1671-L1691 HydrophobicContact CG1-CD1 3.78Å; V1671-L1691 HydrophobicContact CG2-CD1 4.11Å; V1671-P1715 HydrophobicContact CB-CG 4.38Å; V1671-P1715 HydrophobicContact CG1-CG 3.82Å; V1671-V1779 HydrophobicContact CG1-CG1 3.36Å; V1671-C1780 VanDerWaalsContact CA-O 3.27Å; V1671-C1780 WeakPolarHBondContact CA-O 3.36Å; V1671-C1780 WeakPolarHBondContact CG1-O 3.45Å; V1671-I1781 HydrophobicContact CG2-CB 3.89Å; V1671-I1781 HydrophobicContact CG2-CD1 4.11Å; V1671-I1781 HydrophobicContact CG2-CG1 3.83Å |
| 1672 | I | 96.4 | Very high | 95 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 24% | 0.236 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 155.5 | 178.9 | 63.6 | 179.9 | 0 | 0 | 0 | 111 | V1674 P1685 W1688 S1713 V1779 C1780 | I1672-V1674 HydrophobicContact CD1-CG1 4.11Å; I1672-V1674 HydrophobicContact CG1-CG1 4.47Å; I1672-P1685 HydrophobicContact CD1-CG 4.39Å; I1672-W1688 HydrophobicContact CB-CZ3 4.29Å; I1672-W1688 HydrophobicContact CD1-CD2 4.37Å; I1672-W1688 HydrophobicContact CD1-CE3 4.08Å; I1672-W1688 HydrophobicContact CD1-CH2 3.94Å; I1672-W1688 HydrophobicContact CD1-CZ2 4.19Å; I1672-W1688 HydrophobicContact CD1-CZ3 3.88Å; I1672-W1688 HydrophobicContact CG1-CE3 3.94Å; I1672-W1688 HydrophobicContact CG1-CH2 4.13Å; I1672-W1688 HydrophobicContact CG1-CZ3 3.65Å; I1672-W1688 HydrophobicContact CG2-CH2 3.9Å; I1672-W1688 HydrophobicContact CG2-CZ3 3.96Å; I1672-S1713 CarbonylContact C-O 3.52Å; I1672-S1713 VanDerWaalsContact CA-O 3.32Å; I1672-S1713 WeakPolarHBondContact CA-O 3.37Å; I1672-V1779 CarbonylContact O-C 3.57Å; I1672-V1779 WeakPolarHBondContact O-CA 3.47Å; I1672-C1780 HydrophobicContact CG1-CB 4.29Å; I1672-C1780 PolarHBondContact N-O 3.19Å; I1672-C1780 PolarHBondContact O-N 3.05Å |
| 1673 | A | 98 | Very high | 95 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 144.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1713 S1714 C1718 V1779 | A1673-S1713 PolarHBondContact N-O 3.12Å; A1673-S1714 VanDerWaalsContact CB-O 3.31Å; A1673-S1714 WeakPolarHBondContact CB-O 3.43Å; A1673-C1718 HydrophobicContact CB-CB 4.2Å; A1673-V1779 HydrophobicContact CB-CG2 4.39Å |
| 1674 | V | 98.3 | Very high | 95 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.6 | 165.5 | -70.5 | 0 | 0 | 0 | 0 | 109.2 | I1672 P1682 P1685 C1777 Q1778 | I1672-V1674 HydrophobicContact CD1-CG1 4.11Å; I1672-V1674 HydrophobicContact CG1-CG1 4.47Å; V1674-P1682 HydrophobicContact CG2-CB 4.28Å; V1674-P1682 HydrophobicContact CG2-CG 4.03Å; V1674-P1682 VanDerWaalsContact O-CG 3.32Å; V1674-P1682 WeakPolarHBondContact O-CG 3.15Å; V1674-P1685 HydrophobicContact CG1-CG 4.26Å; V1674-C1777 CarbonylContact O-C 3.55Å; V1674-C1777 WeakPolarHBondContact O-CA 3.41Å; V1674-C1777 WeakPolarHBondContact O-CB 3.49Å; V1674-Q1778 HydrophobicContact CG2-CB 4.17Å; V1674-Q1778 WeakPolarHBondContact CG2-O 3.03Å; V1674-Q1778 PolarHBondContact N-O 3.08Å; V1674-Q1778 PolarHBondContact O-N 2.83Å |
| 1675 | H | 97.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.8 | -174.2 | -61.1 | -91.7 | 0 | 0 | 0 | 109.9 | S1696 L1712 S1717 L1748 C1777 | H1675-S1696 WeakPolarHBondContact ND1-CB 3.24Å; H1675-S1696 PolarHBondContact ND1-OG 2.73Å; H1675-L1712 PolarHBondContact CD2-O 3.15Å; H1675-L1712 PolarHBondContact NE2-O 3.39Å; H1675-L1712 VanDerWaalsContact NE2-O 3.07Å; H1675-S1717 PolarHBondContact CE1-OG 3.05Å; H1675-S1717 PolarHBondContact NE2-OG 2.79Å; H1675-L1748 HydrophobicContact CB-CD1 4.15Å; H1675-C1777 WeakPolarHBondContact ND1-CB 3.33Å |
| 1676 | S | 96.2 | Very high | 94.9 | Very high | 36 Ų | 36 | 61 Ų | 61 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | | | trans | -90.5 | -18.2 | -176.1 | 59.1 | 0 | 0 | 0 | 0 | 114.5 | S1678 I1680 R1776 | S1676-S1678 WeakPolarHBondContact CB-OG 3.17Å; S1676-S1678 PolarHBondContact O-N 2.04Å; S1676-S1678 VanDerWaalsContact O-N 3.1Å; S1676-S1678 PolarHBondContact OG-N 3.43Å; S1676-S1678 PolarHBondContact OG-O 2.63Å; S1676-S1678 VanDerWaalsContact OG-O 3.04Å; S1676-S1678 PolarHBondContact OG-OG 2.98Å; S1676-I1680 WeakPolarHBondContact CB-O 3.41Å; S1676-I1680 PolarHBondContact OG-O 3.19Å; S1676-R1776 PolarHBondContact N-O 3.43Å; S1676-R1776 PolarHBondContact OG-O 2.67Å |
| 1677 | Q | 95.5 | Very high | 94.9 | Very high | 94 Ų | 94 | 61 Ų | 61 | 44% | 0.439 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 49.2 | 30.6 | -164.2 | -64.5 | -174.9 | -116.2 | 0 | 0 | 112.6 | T1750 I1751 S1775 | Q1677-T1750 CarbonylContact O-C 3.49Å; Q1677-T1750 VanDerWaalsContact O-CA 3.26Å; Q1677-T1750 WeakPolarHBondContact O-CA 3.48Å; Q1677-I1751 PolarHBondContact O-N 3.28Å; Q1677-S1775 VanDerWaalsContact CA-OG 3.26Å; Q1677-S1775 WeakPolarHBondContact CA-OG 3.38Å; Q1677-S1775 PolarHBondContact N-OG 3Å |
| 1678 | S | 94.4 | Very high | 95.2 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -145.7 | 173.5 | 177.4 | 76.4 | 0 | 0 | 0 | 0 | 111.1 | S1676 I1680 S1775 R1776 | S1676-S1678 WeakPolarHBondContact CB-OG 3.17Å; S1676-S1678 PolarHBondContact O-N 2.04Å; S1676-S1678 VanDerWaalsContact O-N 3.1Å; S1676-S1678 PolarHBondContact OG-N 3.43Å; S1676-S1678 PolarHBondContact OG-O 2.63Å; S1676-S1678 VanDerWaalsContact OG-O 3.04Å; S1676-S1678 PolarHBondContact OG-OG 2.98Å; S1678-I1680 PolarHBondContact O-N 3.11Å; S1678-I1680 PolarHBondContact OG-N 3.04Å; S1678-I1680 PolarHBondContact OG-O 3.27Å; S1678-S1775 WeakPolarHBondContact O-CA 3Å; S1678-R1776 PolarHBondContact O-N 3.43Å |
| 1679 | S | 92 | Very high | 95.5 | Very high | 72 Ų | 72 | 62.1 Ų | 62.1 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -75.1 | -8.7 | 176.6 | 56 | 0 | 0 | 0 | 0 | 113.4 | R1776 | S1679-R1776 WeakPolarHBondContact O-CG 3.47Š|
| 1680 | I | 94.5 | Very high | 95.6 | Very high | 124 Ų | 124 | 64 Ų | 64 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -90.4 | 137.8 | 178.7 | -54.3 | 176.6 | 0 | 0 | 0 | 108.4 | S1676 S1678 R1776 | S1676-I1680 WeakPolarHBondContact CB-O 3.41Å; S1676-I1680 PolarHBondContact OG-O 3.19Å; S1678-I1680 PolarHBondContact O-N 3.11Å; S1678-I1680 PolarHBondContact OG-N 3.04Å; S1678-I1680 PolarHBondContact OG-O 3.27Å; I1680-R1776 WeakPolarHBondContact O-CB 3.35Å |
| 1681 | V | 96.9 | Very high | 95.7 | Very high | 44 Ų | 44 | 62.1 Ų | 62.1 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 128.8 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | D1693 R1776 Q1778 | V1681-D1693 HydrophobicContact CG1-CB 3.81Å; V1681-D1693 HydrophobicContact CG2-CB 4.27Å; V1681-R1776 HydrophobicContact CG2-CB 4.17Å; V1681-R1776 HydrophobicContact CG2-CG 4.36Å; V1681-Q1778 HydrophobicContact CG1-CB 4.03Å |
| 1682 | P | 96.7 | Very high | 95.7 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 14% | 0.143 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 137.5 | 176.4 | 28.1 | -31.5 | 0 | 0 | 0 | 110.8 | V1674 Q1778 | V1674-P1682 HydrophobicContact CG2-CB 4.28Å; V1674-P1682 HydrophobicContact CG2-CG 4.03Å; V1674-P1682 VanDerWaalsContact O-CG 3.32Å; V1674-P1682 WeakPolarHBondContact O-CG 3.15Å; P1682-Q1778 HydrophobicContact CG-CB 4.37Å; P1682-Q1778 WeakPolarHBondContact O-CB 3.39Å; P1682-Q1778 PolarHBondContact O-OE1 3.33Å |
| 1683 | D | 97.4 | Very high | 95.7 | Very high | 151 Ų | 151 | 63.6 Ų | 63.6 | 81% | 0.807 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 141.3 | 171 | -72.5 | -53.6 | 0 | 0 | 0 | 111.6 | | |
| 1684 | C | 97.7 | Very high | 95.6 | Very high | 26 Ų | 26 | 63.2 Ų | 63.2 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 143.9 | 168.7 | -72.6 | 0 | 0 | 0 | 0 | 112.4 | W1688 G1690 Q1778 C1780 | C1684-W1688 HydrophobicContact CB-CB 4.19Å; C1684-G1690 VanDerWaalsContact SG-CA 3.55Å; C1684-Q1778 VanDerWaalsContact N-OE1 3.15Å; C1684-Q1778 VanDerWaalsContact SG-CD 3.59Å; C1684-Q1778 PolarHBondContact SG-OE1 3.5Å; C1684-C1780 WeakPolarHBondContact CA-SG 3.37Å; C1684-C1780 HydrophobicContact CB-CB 3.86Å; C1684-C1780 WeakPolarHBondContact CB-SG 3.37Å; C1684-C1780 WeakPolarHBondContact SG-CB 3.28Å; C1684-C1780 CovalentContact SG-SG 2.03Å; C1684-C1780 PolarHBondContact SG-SG 3.17Å |
| 1685 | P | 97 | Very high | 95.5 | Very high | 51 Ų | 51 | 63.4 Ų | 63.4 | 33% | 0.331 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 153.6 | 176.3 | -23.1 | 33.5 | 0 | 0 | 0 | 112.9 | I1672 V1674 G1687 W1688 | I1672-P1685 HydrophobicContact CD1-CG 4.39Å; V1674-P1685 HydrophobicContact CG1-CG 4.26Å; P1685-G1687 PolarHBondContact O-N 2.87Å; P1685-W1688 HydrophobicContact CB-CG 4.37Å; P1685-W1688 VanDerWaalsContact O-CB 3.32Å; P1685-W1688 WeakPolarHBondContact O-CB 3.5Å; P1685-W1688 PolarHBondContact O-N 3.44Å |
| 1686 | R | 95.7 | Very high | 95.5 | Very high | 255 Ų | 255 | 61.4 Ų | 61.4 | 96% | 0.962 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 129.1 | 178.4 | -69.1 | -175.2 | 178.6 | -178.1 | 0 | 111.1 | | |
| 1687 | G | 93.7 | Very high | 95.5 | Very high | 51 Ų | 51 | 59.7 Ų | 59.7 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 13.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1685 S1783 | P1685-G1687 PolarHBondContact O-N 2.87Å; G1687-S1783 PolarHBondContact O-N 3.37Å |
| 1688 | W | 95.9 | Very high | 95.6 | Very high | 53 Ų | 53 | 56.2 Ų | 56.2 | 20% | 0.201 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 156.6 | 173.4 | -57.3 | 65.5 | 0 | 0 | 0 | 110.2 | N1670 I1672 C1684 P1685 C1780 I1781 R1782 | N1670-W1688 HydrophobicContact CB-CH2 4.28Å; N1670-W1688 WeakPolarHBondContact O-CZ3 3.41Å; I1672-W1688 HydrophobicContact CB-CZ3 4.29Å; I1672-W1688 HydrophobicContact CD1-CD2 4.37Å; I1672-W1688 HydrophobicContact CD1-CE3 4.08Å; I1672-W1688 HydrophobicContact CD1-CH2 3.94Å; I1672-W1688 HydrophobicContact CD1-CZ2 4.19Å; I1672-W1688 HydrophobicContact CD1-CZ3 3.88Å; I1672-W1688 HydrophobicContact CG1-CE3 3.94Å; I1672-W1688 HydrophobicContact CG1-CH2 4.13Å; I1672-W1688 HydrophobicContact CG1-CZ3 3.65Å; I1672-W1688 HydrophobicContact CG2-CH2 3.9Å; I1672-W1688 HydrophobicContact CG2-CZ3 3.96Å; C1684-W1688 HydrophobicContact CB-CB 4.19Å; P1685-W1688 HydrophobicContact CB-CG 4.37Å; P1685-W1688 VanDerWaalsContact O-CB 3.32Å; P1685-W1688 WeakPolarHBondContact O-CB 3.5Å; P1685-W1688 PolarHBondContact O-N 3.44Å; W1688-C1780 HydrophobicContact CB-CB 4.11Å; W1688-C1780 HydrophobicContact CE3-CB 4.11Å; W1688-I1781 CarbonylContact C-O 3.51Å; W1688-I1781 VanDerWaalsContact CA-O 3.24Å; W1688-I1781 WeakPolarHBondContact CA-O 3.41Å; W1688-I1781 WeakPolarHBondContact CB-O 3.34Å; W1688-I1781 VanDerWaalsContact CE3-C 3.41Å; W1688-R1782 HydrophobicContact CD2-CB 3.83Å; W1688-R1782 HydrophobicContact CD2-CG 4.31Å; W1688-R1782 HydrophobicContact CE3-CB 3.8Å; W1688-R1782 HydrophobicContact CG-CB 4.5Å; W1688-R1782 HydrophobicContact CH2-CB 3.98Å; W1688-R1782 HydrophobicContact CZ2-CB 4.03Å; W1688-R1782 HydrophobicContact CZ2-CG 4.29Å; W1688-R1782 HydrophobicContact CZ3-CB 3.86Å |
| 1689 | S | 94.1 | Very high | 95.6 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.5 | 178.1 | 54.9 | 0 | 0 | 0 | 0 | 110.7 | C1780 I1781 | S1689-C1780 CarbonylContact O-C 3.56Å; S1689-C1780 WeakPolarHBondContact O-CA 3.32Å; S1689-I1781 PolarHBondContact N-O 3.39Å; S1689-I1781 PolarHBondContact O-N 2.91Å; S1689-I1781 WeakPolarHBondContact OG-CG2 3.32Å |
| 1690 | G | 93.8 | Very high | 95.8 | Very high | 43 Ų | 43 | 55 Ų | 55 | 44% | 0.443 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 138.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | C1684 | C1684-G1690 VanDerWaalsContact SG-CA 3.55Å |
| 1691 | L | 93.7 | Very high | 95.9 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -40.8 | 173.7 | -65.2 | -176.8 | 0 | 0 | 0 | 112.7 | I1564 V1671 V1779 I1781 | I1564-L1691 HydrophobicContact CD1-CD1 3.83Å; V1671-L1691 HydrophobicContact CG1-CD1 3.78Å; V1671-L1691 HydrophobicContact CG2-CD1 4.11Å; L1691-V1779 HydrophobicContact CD1-CG1 4.38Å; L1691-V1779 PolarHBondContact N-O 3.33Å; L1691-I1781 HydrophobicContact CD1-CB 4.07Å; L1691-I1781 HydrophobicContact CD1-CG2 4.46Å; L1691-I1781 HydrophobicContact CD2-CB 4.16Å; L1691-I1781 HydrophobicContact CD2-CG2 3.65Å; L1691-I1781 HydrophobicContact CG-CB 4.07Å; L1691-I1781 HydrophobicContact CG-CG2 3.97Å |
| 1692 | W | 95 | Very high | 95.7 | Very high | 29 Ų | 29 | 48.2 Ų | 48.2 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 160.8 | 170.7 | 65.5 | 91 | 0 | 0 | 0 | 110.3 | I1564 V1565 K1566 P1715 C1718 Q1720 Q1778 V1779 | I1564-W1692 HydrophobicContact CG2-CH2 4.14Å; I1564-W1692 HydrophobicContact CG2-CZ3 4.11Å; V1565-W1692 WeakPolarHBondContact O-CH2 3.19Å; K1566-W1692 HydrophobicContact CD-CE3 4.44Å; K1566-W1692 HydrophobicContact CD-CZ3 4.2Å; K1566-W1692 HydrophobicContact CG-CE3 4.28Å; K1566-W1692 HydrophobicContact CG-CH2 3.89Å; K1566-W1692 HydrophobicContact CG-CZ3 3.66Å; W1692-P1715 HydrophobicContact CH2-CB 3.97Å; W1692-P1715 HydrophobicContact CZ2-CB 3.87Å; W1692-C1718 PolarHBondContact NE1-O 2.91Å; W1692-Q1720 HydrophobicContact CB-CG 4.19Å; W1692-Q1720 HydrophobicContact CG-CG 3.89Å; W1692-Q1720 VanDerWaalsContact CG-NE2 3.3Å; W1692-Q1778 WeakPolarHBondContact O-CG 3.05Å; W1692-V1779 HydrophobicContact CD2-CB 3.88Å; W1692-V1779 HydrophobicContact CD2-CG1 4.33Å; W1692-V1779 HydrophobicContact CD2-CG2 4.11Å; W1692-V1779 VanDerWaalsContact CE2-CG2 3.47Å; W1692-V1779 HydrophobicContact CE3-CB 4.23Å; W1692-V1779 HydrophobicContact CE3-CG1 4.26Å; W1692-V1779 HydrophobicContact CG-CB 4.35Å; W1692-V1779 HydrophobicContact CG-CG2 4.49Å; W1692-V1779 HydrophobicContact CH2-CB 4.34Å; W1692-V1779 HydrophobicContact CH2-CG1 3.83Å; W1692-V1779 HydrophobicContact CH2-CG2 4.45Å; W1692-V1779 HydrophobicContact CZ2-CB 4.01Å; W1692-V1779 HydrophobicContact CZ2-CG1 3.91Å; W1692-V1779 HydrophobicContact CZ2-CG2 3.7Å; W1692-V1779 HydrophobicContact CZ3-CB 4.43Å; W1692-V1779 HydrophobicContact CZ3-CG1 3.99Å; W1692-V1779 PolarHBondContact O-N 3.37Å |
| 1693 | D | 96.3 | Very high | 95.4 | Very high | 70 Ų | 70 | 47.7 Ų | 47.7 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 169.3 | 166.8 | 75.6 | -78.9 | 0 | 0 | 0 | 111.4 | V1681 R1776 C1777 | V1681-D1693 HydrophobicContact CG1-CB 3.81Å; V1681-D1693 HydrophobicContact CG2-CB 4.27Å; D1693-R1776 IonicContact OD2-CZ 2.8Å; D1693-R1776 IonicContact OD2-NH2 3.44Å; D1693-R1776 PolarHBondContact OD2-NH2 3.01Å; D1693-C1777 WeakPolarHBondContact CA-O 3.44Å |
| 1694 | G | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | -148.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1719 R1776 C1777 | G1694-L1719 CarbonylContact C-O 3.58Å; G1694-L1719 VanDerWaalsContact CA-O 3.3Å; G1694-L1719 WeakPolarHBondContact CA-O 3.38Å; G1694-R1776 WeakPolarHBondContact O-CA 3.15Å; G1694-R1776 WeakPolarHBondContact O-CD 3.44Å; G1694-R1776 PolarHBondContact O-NE 3.33Å; G1694-C1777 PolarHBondContact N-O 3.48Å; G1694-C1777 PolarHBondContact O-N 3.12Å; G1694-C1777 VanDerWaalsContact O-N 3.17Å |
| 1695 | Y | 96.3 | Very high | 94.3 | Very high | 33 Ų | 33 | 46.6 Ų | 46.6 | 13% | 0.129 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 142.9 | -177 | -61.7 | -84.9 | 0 | 0 | 0 | 111.5 | F1697 L1719 F1722 I1771 L1774 C1777 | Y1695-F1697 PolarHBondContact O-N 3.37Å; Y1695-L1719 PolarHBondContact N-O 2.81Å; Y1695-L1719 PolarHBondContact O-N 3.31Å; Y1695-F1722 HydrophobicContact CD1-CB 4.23Å; Y1695-F1722 HydrophobicContact CD2-CB 3.74Å; Y1695-F1722 HydrophobicContact CE2-CB 4.07Å; Y1695-F1722 HydrophobicContact CG-CB 3.82Å; Y1695-I1771 HydrophobicContact CE1-CG2 3.98Å; Y1695-L1774 HydrophobicContact CD1-CB 4.04Å; Y1695-C1777 PolarHBondContact N-SG 3.4Å; Y1695-C1777 VanDerWaalsContact N-SG 3.37Å |
| 1696 | S | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 85.1 | -168.4 | -54 | 0 | 0 | 0 | 0 | 112.7 | H1675 S1717 W1747 L1748 S1775 R1776 | H1675-S1696 WeakPolarHBondContact ND1-CB 3.24Å; H1675-S1696 PolarHBondContact ND1-OG 2.73Å; S1696-S1717 CarbonylContact C-O 3.5Å; S1696-W1747 CarbonylContact O-C 3.56Å; S1696-W1747 WeakPolarHBondContact O-CA 3.3Å; S1696-W1747 WeakPolarHBondContact O-CB 3.48Å; S1696-L1748 PolarHBondContact O-N 2.82Å; S1696-S1775 VanDerWaalsContact CB-O 3.31Å; S1696-S1775 WeakPolarHBondContact CB-O 3.17Å; S1696-S1775 PolarHBondContact N-O 3.21Å; S1696-S1775 VanDerWaalsContact OG-C 3.3Å; S1696-S1775 WeakPolarHBondContact OG-CB 3.37Å; S1696-S1775 PolarHBondContact OG-O 3.47Å; S1696-S1775 PolarHBondContact OG-OG 3.24Å; S1696-R1776 PolarHBondContact OG-O 2.88Å |
| 1697 | F | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 113.7 | 178.1 | -179.8 | -130.1 | 0 | 0 | 0 | 110.5 | L1590 L1603 Y1695 M1699 H1700 Q1710 S1717 L1719 P1726 W1747 | L1590-F1697 HydrophobicContact CD1-CE1 4.21Å; L1603-F1697 HydrophobicContact CD1-CD1 4.22Å; L1603-F1697 HydrophobicContact CD1-CE1 4.01Å; Y1695-F1697 PolarHBondContact O-N 3.37Å; F1697-M1699 WeakPolarHBondContact CE2-O 3.09Å; F1697-H1700 HydrophobicContact CE2-CB 4.16Å; F1697-H1700 HydrophobicContact CZ-CB 3.94Å; F1697-H1700 AromaticContact CZ-ND1 3.57Å; F1697-Q1710 HydrophobicContact CD1-CG 3.73Å; F1697-Q1710 HydrophobicContact CE1-CG 3.89Å; F1697-S1717 PolarHBondContact N-O 3.37Å; F1697-S1717 WeakPolarHBondContact O-CA 3.44Å; F1697-S1717 WeakPolarHBondContact O-CB 3.33Å; F1697-L1719 HydrophobicContact CB-CD1 3.88Å; F1697-L1719 HydrophobicContact CB-CG 4.03Å; F1697-L1719 HydrophobicContact CD1-CD1 3.63Å; F1697-L1719 HydrophobicContact CD1-CG 4.14Å; F1697-L1719 HydrophobicContact CD2-CD1 4.41Å; F1697-L1719 HydrophobicContact CE1-CD1 4.24Å; F1697-L1719 HydrophobicContact CG-CD1 3.73Å; F1697-L1719 HydrophobicContact CG-CG 4.33Å; F1697-P1726 HydrophobicContact CE2-CG 4.09Å; F1697-P1726 HydrophobicContact CZ-CG 4.39Å; F1697-W1747 HydrophobicContact CB-CD2 4.47Å; F1697-W1747 HydrophobicContact CB-CE3 3.88Å; F1697-W1747 HydrophobicContact CB-CH2 4.14Å; F1697-W1747 HydrophobicContact CB-CZ3 3.68Å; F1697-W1747 HydrophobicContact CD2-CD2 4.31Å; F1697-W1747 HydrophobicContact CD2-CH2 4.3Å; F1697-W1747 HydrophobicContact CD2-CZ2 4.09Å; F1697-W1747 HydrophobicContact CD2-CZ3 4.49Å; F1697-W1747 HydrophobicContact CG-CH2 4.46Å; F1697-W1747 HydrophobicContact CG-CZ3 4.45Å |
| 1698 | A | 96.2 | Very high | 93.9 | Very high | 22 Ų | 22 | 33 Ų | 33 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -49.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1709 Q1710 L1712 F1746 L1748 | A1698-G1709 CarbonylContact O-C 3.51Å; A1698-G1709 VanDerWaalsContact O-CA 3.23Å; A1698-G1709 WeakPolarHBondContact O-CA 3.22Å; A1698-Q1710 PolarHBondContact O-N 2.75Å; A1698-L1712 HydrophobicContact CB-CD2 4.43Å; A1698-F1746 PolarHBondContact N-O 3.28Å; A1698-L1748 HydrophobicContact CB-CD2 4.44Å |
| 1699 | M | 96.2 | Very high | 93.7 | Very high | 82 Ų | 82 | 32.5 Ų | 32.5 | 40% | 0.404 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 173 | -179 | 61.7 | 178.7 | -75.3 | 0 | 0 | 113.3 | F1697 T1701 G1708 F1746 | F1697-M1699 WeakPolarHBondContact CE2-O 3.09Å; M1699-T1701 HydrophobicContact CE-CG2 4.36Å; M1699-G1708 CarbonylContact C-O 3.53Å; M1699-G1708 WeakPolarHBondContact CA-O 3.23Å; M1699-G1708 WeakPolarHBondContact CB-O 3.22Å; M1699-F1746 HydrophobicContact CE-CD2 4.38Å; M1699-F1746 HydrophobicContact CE-CE2 4.45Å; M1699-F1746 HydrophobicContact CG-CB 3.49Å; M1699-F1746 VanDerWaalsContact CG-CB 3.49Å; M1699-F1746 HydrophobicContact CG-CD2 3.79Å; M1699-F1746 HydrophobicContact CG-CG 3.74Å; M1699-F1746 PolarHBondContact N-O 2.87Å; M1699-F1746 PolarHBondContact O-N 3.22Å |
| 1700 | H | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 155.2 | -179.4 | 58.6 | -87.4 | 0 | 0 | 0 | 111.3 | Y1591 N1600 F1697 G1708 F1727 Y1744 | Y1591-H1700 AromaticContact CD1-CD2 3.76Å; Y1591-H1700 AromaticContact CD1-NE2 3.16Å; Y1591-H1700 WeakPolarHBondContact CD1-NE2 3.23Å; Y1591-H1700 AromaticContact CE1-CD2 3.4Å; Y1591-H1700 VanDerWaalsContact CE1-CD2 3.4Å; Y1591-H1700 WeakPolarHBondContact CE1-CD2 3.15Å; Y1591-H1700 AromaticContact CE1-NE2 3.34Å; Y1591-H1700 VanDerWaalsContact CE1-NE2 3.34Å; Y1591-H1700 WeakPolarHBondContact CE1-NE2 3.11Å; N1600-H1700 PolarHBondContact OD1-CE1 2.84Å; N1600-H1700 PolarHBondContact OD1-NE2 3.2Å; F1697-H1700 HydrophobicContact CE2-CB 4.16Å; F1697-H1700 HydrophobicContact CZ-CB 3.94Å; F1697-H1700 AromaticContact CZ-ND1 3.57Å; H1700-G1708 PolarHBondContact CE1-O 3.11Å; H1700-G1708 VanDerWaalsContact CE1-O 3.27Å; H1700-G1708 PolarHBondContact N-O 3.36Å; H1700-G1708 PolarHBondContact ND1-O 2.84Å; H1700-G1708 VanDerWaalsContact ND1-O 3.12Å; H1700-G1708 PolarHBondContact NE2-N 2.59Å; H1700-G1708 PolarHBondContact O-N 3.2Å; H1700-F1727 HydrophobicContact CB-CD1 4.27Å; H1700-F1727 HydrophobicContact CB-CE1 3.7Å; H1700-F1727 HydrophobicContact CB-CZ 4.17Å; H1700-Y1744 VanDerWaalsContact CA-O 3.27Å; H1700-Y1744 WeakPolarHBondContact CA-O 3.31Å |
| 1701 | T | 95.5 | Very high | 93.9 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 14% | 0.135 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 153 | 173.3 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | M1699 E1706 K1743 Y1744 F1746 | M1699-T1701 HydrophobicContact CE-CG2 4.36Å; T1701-E1706 CarbonylContact C-O 3.55Å; T1701-E1706 VanDerWaalsContact CA-O 3.3Å; T1701-E1706 WeakPolarHBondContact CA-O 2.98Å; T1701-K1743 WeakPolarHBondContact O-CA 3.04Å; T1701-Y1744 PolarHBondContact N-O 3.25Å; T1701-Y1744 PolarHBondContact O-N 3.22Å; T1701-F1746 HydrophobicContact CG2-CE2 4.22Å |
| 1702 | A | 93.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | | | trans | -144.8 | -111.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1591 Y1637 A1705 E1706 F1727 N1742 K1743 | Y1591-A1702 WeakPolarHBondContact OH-CB 3.14Å; Y1637-A1702 HydrophobicContact CD1-CB 4.4Å; Y1637-A1702 HydrophobicContact CE1-CB 3.52Å; A1702-A1705 PolarHBondContact O-N 3.18Å; A1702-E1706 PolarHBondContact N-O 3.04Å; A1702-F1727 HydrophobicContact CB-CE2 3.95Å; A1702-F1727 HydrophobicContact CB-CZ 4.24Å; A1702-N1742 PolarHBondContact O-ND2 3.25Å; A1702-K1743 HydrophobicContact CB-CG 3.91Å |
| 1703 | A | 89.2 | Confident | 94.2 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -64.6 | 146 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | Y1637 A1705 E1706 N1742 | Y1637-A1703 VanDerWaalsContact OH-CB 3.28Å; Y1637-A1703 WeakPolarHBondContact OH-CB 3.47Å; Y1637-A1703 PolarHBondContact OH-N 3.17Å; A1703-A1705 PolarHBondContact O-N 3.16Å; A1703-E1706 WeakPolarHBondContact O-CB 3.45Å; A1703-E1706 PolarHBondContact O-N 2.88Å; A1703-N1742 PolarHBondContact N-ND2 3.24Å |
| 1704 | G | 86 | Confident | 94.2 | Very high | 77 Ų | 77 | 32.5 Ų | 32.5 | 79% | 0.794 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | 62.3 | 0.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | E1706 | G1704-E1706 PolarHBondContact O-N 3.08Š|
| 1705 | A | 86.6 | Confident | 94.2 | Very high | 77 Ų | 77 | 33 Ų | 33 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | 60.7 | 19.4 | -157.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1702 A1703 | A1702-A1705 PolarHBondContact O-N 3.18Å; A1703-A1705 PolarHBondContact O-N 3.16Å |
| 1706 | E | 91.8 | Very high | 94.2 | Very high | 45 Ų | 45 | 31.6 Ų | 31.6 | 21% | 0.21 | 23% | 0.227 | C | C | . | . | | | trans | -78.3 | 163.6 | 168.9 | -67.7 | -83.5 | 127 | 0 | 0 | 110.9 | Y1591 K1597 S1598 T1701 A1702 A1703 G1704 | Y1591-E1706 PolarHBondContact OH-O 3Å; K1597-E1706 WeakPolarHBondContact CA-OE2 3.49Å; K1597-E1706 IonicContact NZ-OE1 3.82Å; K1597-E1706 PolarHBondContact NZ-OE1 3.27Å; K1597-E1706 IonicContact NZ-OE2 2.66Å; K1597-E1706 PolarHBondContact NZ-OE2 3.04Å; S1598-E1706 PolarHBondContact N-OE2 3.39Å; S1598-E1706 PolarHBondContact OG-OE2 3.12Å; T1701-E1706 CarbonylContact C-O 3.55Å; T1701-E1706 VanDerWaalsContact CA-O 3.3Å; T1701-E1706 WeakPolarHBondContact CA-O 2.98Å; A1702-E1706 PolarHBondContact N-O 3.04Å; A1703-E1706 WeakPolarHBondContact O-CB 3.45Å; A1703-E1706 PolarHBondContact O-N 2.88Å; G1704-E1706 PolarHBondContact O-N 3.08Å |
| 1707 | G | 91.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.3 | -147.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S1598 N1600 | S1598-G1707 PolarHBondContact OG-N 3.37Å; S1598-G1707 VanDerWaalsContact OG-N 3.08Å; S1598-G1707 PolarHBondContact OG-O 3.08Å; N1600-G1707 PolarHBondContact ND2-O 2.98Å; N1600-G1707 PolarHBondContact OD1-O 3.01Å |
| 1708 | G | 94 | Very high | 94.3 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179 | -170.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | N1600 M1699 H1700 | N1600-G1708 VanDerWaalsContact OD1-CA 3.28Å; N1600-G1708 WeakPolarHBondContact OD1-CA 3.07Å; N1600-G1708 PolarHBondContact OD1-N 3.28Å; M1699-G1708 CarbonylContact C-O 3.53Å; M1699-G1708 WeakPolarHBondContact CA-O 3.23Å; M1699-G1708 WeakPolarHBondContact CB-O 3.22Å; H1700-G1708 PolarHBondContact CE1-O 3.11Å; H1700-G1708 VanDerWaalsContact CE1-O 3.27Å; H1700-G1708 PolarHBondContact N-O 3.36Å; H1700-G1708 PolarHBondContact ND1-O 2.84Å; H1700-G1708 VanDerWaalsContact ND1-O 3.12Å; H1700-G1708 PolarHBondContact NE2-N 2.59Å; H1700-G1708 PolarHBondContact O-N 3.2Å |
| 1709 | G | 93.5 | Very high | 94.2 | Very high | 41 Ų | 41 | 31 Ų | 31 | 42% | 0.423 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 168.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1698 | A1698-G1709 CarbonylContact O-C 3.51Å; A1698-G1709 VanDerWaalsContact O-CA 3.23Å; A1698-G1709 WeakPolarHBondContact O-CA 3.22Å |
| 1710 | Q | 94.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 30.2 Ų | 30.2 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | | | trans | -111.5 | 141.1 | 167.7 | -58 | -62.8 | -77.3 | 0 | 0 | 108.7 | Q1601 D1602 F1697 A1698 L1712 | Q1601-Q1710 PolarHBondContact O-NE2 3.41Å; D1602-Q1710 PolarHBondContact OD1-OE1 3.17Å; F1697-Q1710 HydrophobicContact CD1-CG 3.73Å; F1697-Q1710 HydrophobicContact CE1-CG 3.89Å; A1698-Q1710 PolarHBondContact O-N 2.75Å; Q1710-L1712 PolarHBondContact O-N 3.11Å |
| 1711 | P | 97 | Very high | 93.9 | Very high | 60 Ų | 60 | 34.4 Ų | 34.4 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | | | trans | -65.2 | 126.8 | 171.3 | -14.8 | 29 | 0 | 0 | 0 | 109.6 | S1713 S1714 S1717 | P1711-S1713 PolarHBondContact O-N 3.15Å; P1711-S1713 VanDerWaalsContact O-N 3.09Å; P1711-S1714 WeakPolarHBondContact O-CA 3.29Å; P1711-S1714 VanDerWaalsContact O-CB 3.27Å; P1711-S1714 WeakPolarHBondContact O-CB 3.32Å; P1711-S1714 PolarHBondContact O-N 2.99Å; P1711-S1717 WeakPolarHBondContact O-CB 3.01Å; P1711-S1717 PolarHBondContact O-OG 3.27Å |
| 1712 | L | 97.4 | Very high | 93.6 | Very high | 77 Ų | 77 | 35.3 Ų | 35.3 | 40% | 0.403 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -4.8 | -178.5 | -62.8 | 175.7 | 0 | 0 | 0 | 114.3 | H1675 A1698 Q1710 L1748 | H1675-L1712 PolarHBondContact CD2-O 3.15Å; H1675-L1712 PolarHBondContact NE2-O 3.39Å; H1675-L1712 VanDerWaalsContact NE2-O 3.07Å; A1698-L1712 HydrophobicContact CB-CD2 4.43Å; Q1710-L1712 PolarHBondContact O-N 3.11Å; L1712-L1748 HydrophobicContact CD1-CD1 4.06Å; L1712-L1748 HydrophobicContact CD1-CD2 4.39Å; L1712-L1748 HydrophobicContact CD2-CD1 3.96Å; L1712-L1748 HydrophobicContact CD2-CG 4.35Å |
| 1713 | S | 96.6 | Very high | 93.3 | Very high | 79 Ų | 79 | 38.3 Ų | 38.3 | 55% | 0.552 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -13.6 | 167.6 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | I1672 A1673 P1711 | I1672-S1713 CarbonylContact C-O 3.52Å; I1672-S1713 VanDerWaalsContact CA-O 3.32Å; I1672-S1713 WeakPolarHBondContact CA-O 3.37Å; A1673-S1713 PolarHBondContact N-O 3.12Å; P1711-S1713 PolarHBondContact O-N 3.15Å; P1711-S1713 VanDerWaalsContact O-N 3.09Å |
| 1714 | S | 96.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -91.1 | 141.5 | -173.8 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | D1602 G1604 A1673 P1711 G1716 S1717 | D1602-S1714 PolarHBondContact OD1-OG 3.44Å; D1602-S1714 WeakPolarHBondContact OD2-CB 3.34Å; D1602-S1714 PolarHBondContact OD2-OG 3.38Å; G1604-S1714 WeakPolarHBondContact CA-OG 3.34Å; A1673-S1714 VanDerWaalsContact CB-O 3.31Å; A1673-S1714 WeakPolarHBondContact CB-O 3.43Å; P1711-S1714 WeakPolarHBondContact O-CA 3.29Å; P1711-S1714 VanDerWaalsContact O-CB 3.27Å; P1711-S1714 WeakPolarHBondContact O-CB 3.32Å; P1711-S1714 PolarHBondContact O-N 2.99Å; S1714-G1716 PolarHBondContact O-N 3.31Å; S1714-S1717 PolarHBondContact O-N 3.16Å; S1714-S1717 PolarHBondContact O-OG 2.89Å |
| 1715 | P | 96.4 | Very high | 93.4 | Very high | 12 Ų | 12 | 39 Ų | 39 | 8% | 0.078 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -49.7 | -27.8 | 173.6 | -29.2 | 36.5 | 0 | 0 | 0 | 114.6 | V1671 W1692 S1717 C1718 V1779 | V1671-P1715 HydrophobicContact CB-CG 4.38Å; V1671-P1715 HydrophobicContact CG1-CG 3.82Å; W1692-P1715 HydrophobicContact CH2-CB 3.97Å; W1692-P1715 HydrophobicContact CZ2-CB 3.87Å; P1715-S1717 PolarHBondContact O-N 3.22Å; P1715-C1718 PolarHBondContact O-N 3.49Å; P1715-V1779 HydrophobicContact CB-CG1 3.96Å; P1715-V1779 HydrophobicContact CB-CG2 4.29Å; P1715-V1779 HydrophobicContact CG-CG1 4Å |
| 1716 | G | 95.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -62.9 | -23.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1603 S1714 C1718 | L1603-G1716 VanDerWaalsContact C-CA 3.41Å; L1603-G1716 VanDerWaalsContact CB-CA 3.47Å; S1714-G1716 PolarHBondContact O-N 3.31Å; G1716-C1718 VanDerWaalsContact C-N 3.26Å; G1716-C1718 PolarHBondContact O-N 3.21Å |
| 1717 | S | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -78.9 | -5.4 | 174 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | H1675 S1696 F1697 P1711 S1714 P1715 | H1675-S1717 PolarHBondContact CE1-OG 3.05Å; H1675-S1717 PolarHBondContact NE2-OG 2.79Å; S1696-S1717 CarbonylContact C-O 3.5Å; F1697-S1717 PolarHBondContact N-O 3.37Å; F1697-S1717 WeakPolarHBondContact O-CA 3.44Å; F1697-S1717 WeakPolarHBondContact O-CB 3.33Å; P1711-S1717 WeakPolarHBondContact O-CB 3.01Å; P1711-S1717 PolarHBondContact O-OG 3.27Å; S1714-S1717 PolarHBondContact O-N 3.16Å; S1714-S1717 PolarHBondContact O-OG 2.89Å; P1715-S1717 PolarHBondContact O-N 3.22Å |
| 1718 | C | 97.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 80.9 | -177.3 | -167.5 | 0 | 0 | 0 | 0 | 112.3 | A1673 W1692 P1715 G1716 C1777 V1779 | A1673-C1718 HydrophobicContact CB-CB 4.2Å; W1692-C1718 PolarHBondContact NE1-O 2.91Å; P1715-C1718 PolarHBondContact O-N 3.49Å; G1716-C1718 VanDerWaalsContact C-N 3.26Å; G1716-C1718 PolarHBondContact O-N 3.21Å; C1718-C1777 WeakPolarHBondContact CA-SG 3.25Å; C1718-C1777 HydrophobicContact CB-CB 3.89Å; C1718-C1777 WeakPolarHBondContact CB-SG 3.2Å; C1718-C1777 VanDerWaalsContact SG-C 3.54Å; C1718-C1777 WeakPolarHBondContact SG-CB 3.17Å; C1718-C1777 CovalentContact SG-SG 2.03Å; C1718-C1777 PolarHBondContact SG-SG 2.87Å; C1718-V1779 HydrophobicContact CB-CG2 3.51Å |
| 1719 | L | 95.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 128.6 | 179 | -69.5 | -178.8 | 0 | 0 | 0 | 111.1 | L1603 L1639 G1694 Y1695 F1697 H1721 P1726 W1747 | L1603-L1719 HydrophobicContact CD1-CD2 4.2Å; L1639-L1719 HydrophobicContact CD1-CD1 4.21Å; L1639-L1719 HydrophobicContact CD1-CD2 4.39Å; L1639-L1719 HydrophobicContact CD2-CD2 4.01Å; G1694-L1719 CarbonylContact C-O 3.58Å; G1694-L1719 VanDerWaalsContact CA-O 3.3Å; G1694-L1719 WeakPolarHBondContact CA-O 3.38Å; Y1695-L1719 PolarHBondContact N-O 2.81Å; Y1695-L1719 PolarHBondContact O-N 3.31Å; F1697-L1719 HydrophobicContact CB-CD1 3.88Å; F1697-L1719 HydrophobicContact CB-CG 4.03Å; F1697-L1719 HydrophobicContact CD1-CD1 3.63Å; F1697-L1719 HydrophobicContact CD1-CG 4.14Å; F1697-L1719 HydrophobicContact CD2-CD1 4.41Å; F1697-L1719 HydrophobicContact CE1-CD1 4.24Å; F1697-L1719 HydrophobicContact CG-CD1 3.73Å; F1697-L1719 HydrophobicContact CG-CG 4.33Å; L1719-H1721 PolarHBondContact O-N 3.1Å; L1719-P1726 HydrophobicContact CD1-CB 4.33Å; L1719-W1747 HydrophobicContact CB-CH2 4.3Å; L1719-W1747 HydrophobicContact CB-CZ3 4.29Å; L1719-W1747 HydrophobicContact CD1-CH2 3.88Å; L1719-W1747 HydrophobicContact CD1-CZ3 4.42Å |
| 1720 | Q | 92.8 | Very high | 94.4 | Very high | 65 Ų | 65 | 30.2 Ų | 30.2 | 30% | 0.304 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -63.2 | -28.6 | -177.8 | -67.5 | 176.4 | 21.2 | 0 | 0 | 112.5 | W1692 | W1692-Q1720 HydrophobicContact CB-CG 4.19Å; W1692-Q1720 HydrophobicContact CG-CG 3.89Å; W1692-Q1720 VanDerWaalsContact CG-NE2 3.3Å |
| 1721 | H | 91.1 | Very high | 94.2 | Very high | 88 Ų | 88 | 31.1 Ų | 31.1 | 41% | 0.407 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -125.7 | 118 | -177.5 | -59.9 | -24.1 | 0 | 0 | 0 | 111.6 | Q1569 L1719 | Q1569-H1721 PolarHBondContact NE2-O 3.33Å; Q1569-H1721 PolarHBondContact OE1-O 3.42Å; L1719-H1721 PolarHBondContact O-N 3.1Å |
| 1722 | F | 90.8 | Very high | 93.4 | Very high | 42 Ų | 42 | 28.5 Ų | 28.5 | 18% | 0.184 | 16% | 0.157 | C | C | . | . | | | trans | -66.9 | 133.1 | 172.2 | 168.8 | -105 | 0 | 0 | 0 | 111.4 | Y1695 W1747 L1770 I1771 L1774 | Y1695-F1722 HydrophobicContact CD1-CB 4.23Å; Y1695-F1722 HydrophobicContact CD2-CB 3.74Å; Y1695-F1722 HydrophobicContact CE2-CB 4.07Å; Y1695-F1722 HydrophobicContact CG-CB 3.82Å; F1722-W1747 AromaticContact CD2-CD2 3.95Å; F1722-W1747 HydrophobicContact CD2-CD2 3.95Å; F1722-W1747 AromaticContact CD2-CE2 3.66Å; F1722-W1747 HydrophobicContact CD2-CE3 4.2Å; F1722-W1747 AromaticContact CD2-CH2 3.98Å; F1722-W1747 HydrophobicContact CD2-CH2 3.98Å; F1722-W1747 AromaticContact CD2-CZ2 3.69Å; F1722-W1747 HydrophobicContact CD2-CZ2 3.69Å; F1722-W1747 HydrophobicContact CD2-CZ3 4.22Å; F1722-W1747 HydrophobicContact CE2-CD2 4.14Å; F1722-W1747 AromaticContact CE2-CE2 3.69Å; F1722-W1747 HydrophobicContact CE2-CG 4.42Å; F1722-W1747 HydrophobicContact CE2-CZ2 4.05Å; F1722-W1747 AromaticContact CE2-NE1 3.67Å; F1722-L1770 HydrophobicContact CE1-CB 4.02Å; F1722-L1770 HydrophobicContact CE1-CD1 4.04Å; F1722-L1770 HydrophobicContact CZ-CB 4.36Å; F1722-L1770 HydrophobicContact CZ-CD1 4.3Å; F1722-I1771 HydrophobicContact CD1-CG1 4.24Å; F1722-L1774 HydrophobicContact CD1-CD1 3.92Å; F1722-L1774 HydrophobicContact CD2-CD1 3.45Å; F1722-L1774 VanDerWaalsContact CD2-CD1 3.45Å; F1722-L1774 HydrophobicContact CD2-CD2 3.91Å; F1722-L1774 HydrophobicContact CD2-CG 4.36Å; F1722-L1774 HydrophobicContact CE1-CD1 3.96Å; F1722-L1774 HydrophobicContact CE2-CD1 3.51Å; F1722-L1774 HydrophobicContact CE2-CD2 3.99Å; F1722-L1774 HydrophobicContact CE2-CG 4.39Å; F1722-L1774 HydrophobicContact CG-CD1 3.67Å; F1722-L1774 HydrophobicContact CZ-CD1 3.77Å |
| 1723 | R | 86.3 | Confident | 92.6 | Very high | 66 Ų | 66 | 27.3 Ų | 27.3 | 25% | 0.249 | 16% | 0.158 | C | C | . | . | | | trans | -139.1 | 144.5 | 164.6 | -68.9 | -161 | 135.2 | -153.8 | -13.7 | 110.1 | T1641 T1642 E1643 T1725 P1726 S1745 W1747 | T1641-R1723 PolarHBondContact O-NH1 3.5Å; T1642-R1723 VanDerWaalsContact C-CZ 3.49Å; T1642-R1723 VanDerWaalsContact C-NH2 3.29Å; T1642-R1723 VanDerWaalsContact CA-CZ 3.45Å; T1642-R1723 PolarHBondContact O-NH2 2.95Å; E1643-R1723 PolarHBondContact O-NH1 3.43Å; E1643-R1723 PolarHBondContact O-NH2 3.11Å; R1723-T1725 PolarHBondContact O-N 3.44Å; R1723-P1726 HydrophobicContact CB-CB 4.21Å; R1723-P1726 WeakPolarHBondContact O-CD 3.03Å; R1723-S1745 PolarHBondContact O-OG 3.12Å; R1723-W1747 VanDerWaalsContact O-CZ2 3.27Å; R1723-W1747 WeakPolarHBondContact O-CZ2 2.99Å |
| 1724 | S | 86.7 | Confident | 92.1 | Very high | 78 Ų | 78 | 32.2 Ų | 32.2 | 55% | 0.545 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -62.8 | -30.7 | 172.2 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | S1745 | S1724-S1745 PolarHBondContact O-OG 3.1Š|
| 1725 | T | 91 | Very high | 91.9 | Very high | 26 Ų | 26 | 32.8 Ų | 32.8 | 16% | 0.16 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -130.2 | 86.5 | 172.7 | 49.9 | 0 | 0 | 0 | 0 | 108.5 | S1640 R1723 F1727 K1743 | S1640-T1725 PolarHBondContact OG-O 3.03Å; R1723-T1725 PolarHBondContact O-N 3.44Å; T1725-F1727 PolarHBondContact O-N 3.47Å; T1725-K1743 HydrophobicContact CG2-CB 4.14Å |
| 1726 | P | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | | | trans | -82.7 | 14.7 | -177.1 | 35.2 | -35.4 | 0 | 0 | 0 | 113 | L1639 S1640 F1697 L1719 R1723 S1745 W1747 | L1639-P1726 WeakPolarHBondContact CA-O 3.37Å; L1639-P1726 VanDerWaalsContact CD1-O 3.28Å; L1639-P1726 WeakPolarHBondContact CD1-O 3.28Å; L1639-P1726 WeakPolarHBondContact CG-O 3.45Å; S1640-P1726 PolarHBondContact N-O 3.25Å; S1640-P1726 WeakPolarHBondContact OG-CA 3.47Å; S1640-P1726 PolarHBondContact OG-O 3.05Å; F1697-P1726 HydrophobicContact CE2-CG 4.09Å; F1697-P1726 HydrophobicContact CZ-CG 4.39Å; L1719-P1726 HydrophobicContact CD1-CB 4.33Å; R1723-P1726 HydrophobicContact CB-CB 4.21Å; R1723-P1726 WeakPolarHBondContact O-CD 3.03Å; P1726-S1745 VanDerWaalsContact CD-CB 3.47Å; P1726-W1747 HydrophobicContact CB-CZ2 4.4Å; P1726-W1747 HydrophobicContact CG-CZ2 4.05Å |
| 1727 | F | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 152.4 | -176.7 | 69.8 | -83.9 | 0 | 0 | 0 | 112.6 | L1590 Y1637 W1638 S1640 H1700 A1702 T1725 Y1739 K1743 | L1590-F1727 HydrophobicContact CD2-CB 3.62Å; L1590-F1727 HydrophobicContact CD2-CD1 4.15Å; L1590-F1727 HydrophobicContact CD2-CD2 4.17Å; L1590-F1727 HydrophobicContact CD2-CG 3.73Å; Y1637-F1727 AromaticContact CD1-CD2 3.94Å; Y1637-F1727 HydrophobicContact CD1-CD2 3.94Å; Y1637-F1727 AromaticContact CD1-CE2 3.9Å; Y1637-F1727 HydrophobicContact CD1-CE2 3.9Å; Y1637-F1727 HydrophobicContact CE1-CE2 4.34Å; W1638-F1727 CarbonylContact O-C 3.53Å; W1638-F1727 WeakPolarHBondContact O-CA 3.43Å; W1638-F1727 WeakPolarHBondContact O-CB 3.25Å; S1640-F1727 PolarHBondContact OG-N 2.92Å; H1700-F1727 HydrophobicContact CB-CD1 4.27Å; H1700-F1727 HydrophobicContact CB-CE1 3.7Å; H1700-F1727 HydrophobicContact CB-CZ 4.17Å; A1702-F1727 HydrophobicContact CB-CE2 3.95Å; A1702-F1727 HydrophobicContact CB-CZ 4.24Å; T1725-F1727 PolarHBondContact O-N 3.47Å; F1727-Y1739 WeakPolarHBondContact O-CE1 3.47Å; F1727-K1743 HydrophobicContact CD2-CD 4.25Å; F1727-K1743 HydrophobicContact CE1-CB 4.42Å; F1727-K1743 HydrophobicContact CE2-CB 4.28Å; F1727-K1743 HydrophobicContact CE2-CD 3.85Å; F1727-K1743 HydrophobicContact CE2-CG 3.76Å; F1727-K1743 HydrophobicContact CZ-CB 3.82Å; F1727-K1743 HydrophobicContact CZ-CD 4.21Å; F1727-K1743 HydrophobicContact CZ-CG 3.81Å |
| 1728 | I | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 153.2 | 176.9 | -163.9 | 171.9 | 0 | 0 | 0 | 110.4 | Y1637 W1638 H1658 V1659 C1737 Y1739 | Y1637-I1728 WeakPolarHBondContact CA-O 3.43Å; W1638-I1728 HydrophobicContact CB-CG2 4.21Å; W1638-I1728 PolarHBondContact N-O 3.45Å; W1638-I1728 PolarHBondContact O-N 3.08Å; H1658-I1728 HydrophobicContact CB-CD1 3.84Å; V1659-I1728 HydrophobicContact CG2-CG2 4.34Å; I1728-C1737 HydrophobicContact CD1-CB 3.63Å; I1728-C1737 HydrophobicContact CG1-CB 3.99Å; I1728-Y1739 HydrophobicContact CB-CD1 4.49Å; I1728-Y1739 HydrophobicContact CB-CE1 3.94Å; I1728-Y1739 HydrophobicContact CB-CE2 4.42Å; I1728-Y1739 HydrophobicContact CD1-CD2 4.14Å; I1728-Y1739 HydrophobicContact CD1-CE2 3.6Å; I1728-Y1739 HydrophobicContact CG1-CD1 4.48Å; I1728-Y1739 HydrophobicContact CG1-CD2 4.21Å; I1728-Y1739 HydrophobicContact CG1-CE1 4.22Å; I1728-Y1739 HydrophobicContact CG1-CE2 3.96Å; I1728-Y1739 HydrophobicContact CG1-CG 4.48Å |
| 1729 | E | 96 | Very high | 91.5 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.023 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.7 | 177.5 | 174.9 | 176.9 | 159.1 | 0 | 0 | 109.6 | K1635 Y1637 C1737 H1738 F1740 K1743 | K1635-E1729 HydrophobicContact CD-CG 4.01Å; K1635-E1729 WeakPolarHBondContact CD-OE1 3.08Å; K1635-E1729 WeakPolarHBondContact CE-OE1 3.41Å; K1635-E1729 IonicContact NZ-OE1 2.62Å; K1635-E1729 PolarHBondContact NZ-OE1 3.14Å; Y1637-E1729 HydrophobicContact CD1-CB 3.63Å; Y1637-E1729 HydrophobicContact CD1-CG 3.98Å; Y1637-E1729 HydrophobicContact CE1-CB 3.39Å; Y1637-E1729 HydrophobicContact CE1-CG 3.34Å; Y1637-E1729 WeakPolarHBondContact CE1-OE2 3.34Å; Y1637-E1729 HydrophobicContact CE2-CG 4.39Å; E1729-C1737 CarbonylContact O-C 3.49Å; E1729-C1737 WeakPolarHBondContact O-CA 3.45Å; E1729-H1738 PolarHBondContact N-O 3.17Å; E1729-H1738 PolarHBondContact O-N 3.12Å; E1729-F1740 HydrophobicContact CG-CD2 4.45Å; E1729-F1740 HydrophobicContact CG-CE2 4.47Å; E1729-F1740 WeakPolarHBondContact OE2-CD2 3.16Å; E1729-K1743 VanDerWaalsContact CB-CE 3.43Å; E1729-K1743 IonicContact OE2-NZ 3.77Å; E1729-K1743 PolarHBondContact OE2-NZ 3.47Å |
| 1730 | C | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.8 | 179.7 | -64.6 | 0 | 0 | 0 | 0 | 110 | T1615 K1635 S1636 G1732 T1736 C1737 | T1615-C1730 HydrophobicContact CG2-CB 4.05Å; K1635-C1730 WeakPolarHBondContact CA-O 3.24Å; K1635-C1730 WeakPolarHBondContact CB-O 3.49Å; S1636-C1730 PolarHBondContact N-O 2.83Å; S1636-C1730 WeakPolarHBondContact O-CB 3.43Å; S1636-C1730 PolarHBondContact O-N 3.36Å; C1730-G1732 PolarHBondContact O-N 3.41Å; C1730-T1736 CarbonylContact C-O 3.58Å; C1730-T1736 WeakPolarHBondContact CA-O 3.25Å; C1730-C1737 HydrophobicContact CB-CB 4.09Å; C1730-C1737 WeakPolarHBondContact CB-SG 3.49Å; C1730-C1737 WeakPolarHBondContact SG-CB 3.05Å; C1730-C1737 CovalentContact SG-SG 2.04Å; C1730-C1737 PolarHBondContact SG-SG 2.93Å |
| 1731 | N | 91.7 | Very high | 91.2 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 16% | 0.16 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 110.7 | 176.4 | -67 | -76.8 | 0 | 0 | 0 | 108.5 | K1635 A1733 R1734 G1735 T1736 | K1635-N1731 WeakPolarHBondContact CE-OD1 3.45Å; N1731-A1733 PolarHBondContact O-N 3.4Å; N1731-R1734 HydrophobicContact CB-CB 4.19Å; N1731-R1734 PolarHBondContact O-N 3.33Å; N1731-R1734 VanDerWaalsContact O-N 3.14Å; N1731-G1735 PolarHBondContact O-N 2.99Å; N1731-T1736 PolarHBondContact N-O 2.82Å |
| 1732 | G | 80.6 | Confident | 91.1 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 6% | 0.062 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -58.7 | -54.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113 | T1615 D1634 C1730 R1734 G1735 | T1615-G1732 WeakPolarHBondContact O-CA 3.29Å; T1615-G1732 PolarHBondContact OG1-O 3.48Å; D1634-G1732 PolarHBondContact O-N 3.32Å; D1634-G1732 VanDerWaalsContact O-N 3.14Å; C1730-G1732 PolarHBondContact O-N 3.41Å; G1732-R1734 PolarHBondContact O-N 2.89Å; G1732-G1735 PolarHBondContact O-N 3.17Å |
| 1733 | A | 80.1 | Confident | 91.2 | Very high | 51 Ų | 51 | 38.9 Ų | 38.9 | 42% | 0.421 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -55.7 | -19.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | A1630 N1731 | A1630-A1733 WeakPolarHBondContact O-CA 2.88Å; A1630-A1733 WeakPolarHBondContact O-CB 3.29Å; N1731-A1733 PolarHBondContact O-N 3.4Å |
| 1734 | R | 85.5 | Confident | 91.6 | Very high | 183 Ų | 183 | 42.4 Ų | 42.4 | 69% | 0.691 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -112.6 | 2.1 | -171.9 | -63.6 | -171.4 | 177.8 | -155.6 | -0.3 | 114.2 | N1731 G1732 T1736 | N1731-R1734 HydrophobicContact CB-CB 4.19Å; N1731-R1734 PolarHBondContact O-N 3.33Å; N1731-R1734 VanDerWaalsContact O-N 3.14Å; G1732-R1734 PolarHBondContact O-N 2.89Å; R1734-T1736 WeakPolarHBondContact CB-OG1 3.31Å; R1734-T1736 WeakPolarHBondContact O-CG2 3.28Å; R1734-T1736 PolarHBondContact O-N 2.88Å; R1734-T1736 PolarHBondContact O-OG1 3.39Å |
| 1735 | G | 92.1 | Very high | 91.9 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 26% | 0.258 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 26 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1655 N1731 G1732 | I1655-G1735 WeakPolarHBondContact CD1-O 3.33Å; N1731-G1735 PolarHBondContact O-N 2.99Å; G1732-G1735 PolarHBondContact O-N 3.17Å |
| 1736 | T | 95.2 | Very high | 92.2 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 16% | 0.16 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 143.1 | -167.9 | 35.3 | 0 | 0 | 0 | 0 | 113 | P1649 V1650 A1651 C1730 N1731 R1734 | P1649-T1736 HydrophobicContact CB-CG2 4.35Å; V1650-T1736 CarbonylContact O-C 3.49Å; V1650-T1736 VanDerWaalsContact O-CA 3.23Å; V1650-T1736 WeakPolarHBondContact O-CA 3.42Å; A1651-T1736 HydrophobicContact CB-CG2 3.8Å; C1730-T1736 CarbonylContact C-O 3.58Å; C1730-T1736 WeakPolarHBondContact CA-O 3.25Å; N1731-T1736 PolarHBondContact N-O 2.82Å; R1734-T1736 WeakPolarHBondContact CB-OG1 3.31Å; R1734-T1736 WeakPolarHBondContact O-CG2 3.28Å; R1734-T1736 PolarHBondContact O-N 2.88Å; R1734-T1736 PolarHBondContact O-OG1 3.39Å |
| 1737 | C | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 145.7 | 179.7 | -51.9 | 0 | 0 | 0 | 0 | 112.7 | P1649 V1650 I1655 I1728 E1729 C1730 | P1649-C1737 WeakPolarHBondContact CA-O 3.42Å; V1650-C1737 HydrophobicContact CG2-CB 4.35Å; V1650-C1737 VanDerWaalsContact CG2-O 3.32Å; V1650-C1737 WeakPolarHBondContact CG2-O 3.1Å; V1650-C1737 PolarHBondContact N-O 3.19Å; V1650-C1737 PolarHBondContact O-N 3Å; I1655-C1737 HydrophobicContact CG1-CB 4.2Å; I1655-C1737 HydrophobicContact CG2-CB 4.27Å; I1655-C1737 WeakPolarHBondContact CG2-SG 3.09Å; I1728-C1737 HydrophobicContact CD1-CB 3.63Å; I1728-C1737 HydrophobicContact CG1-CB 3.99Å; E1729-C1737 CarbonylContact O-C 3.49Å; E1729-C1737 WeakPolarHBondContact O-CA 3.45Å; C1730-C1737 HydrophobicContact CB-CB 4.09Å; C1730-C1737 WeakPolarHBondContact CB-SG 3.49Å; C1730-C1737 WeakPolarHBondContact SG-CB 3.05Å; C1730-C1737 CovalentContact SG-SG 2.04Å; C1730-C1737 PolarHBondContact SG-SG 2.93Å |
| 1738 | H | 95.4 | Very high | 92.3 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 13% | 0.125 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 154.6 | -175.7 | -166.2 | -112.7 | 0 | 0 | 0 | 115.7 | M1648 P1649 E1729 F1740 K1743 | M1648-H1738 VanDerWaalsContact C-CD2 3.41Å; M1648-H1738 PolarHBondContact O-CD2 2.89Å; P1649-H1738 HydrophobicContact CB-CB 4.01Å; P1649-H1738 HydrophobicContact CG-CB 4.05Å; E1729-H1738 PolarHBondContact N-O 3.17Å; E1729-H1738 PolarHBondContact O-N 3.12Å; H1738-F1740 HydrophobicContact CB-CD2 4.42Å; H1738-F1740 HydrophobicContact CB-CE1 4.24Å; H1738-F1740 HydrophobicContact CB-CE2 3.88Å; H1738-F1740 HydrophobicContact CB-CZ 3.77Å; H1738-F1740 AromaticContact ND1-CD1 3.31Å; H1738-F1740 VanDerWaalsContact ND1-CD1 3.31Å; H1738-F1740 WeakPolarHBondContact ND1-CD1 3.32Å; H1738-F1740 AromaticContact ND1-CE1 3.23Å; H1738-F1740 WeakPolarHBondContact ND1-CE1 3.47Å; H1738-F1740 AromaticContact ND1-CG 3.84Å; H1738-F1740 AromaticContact ND1-CZ 3.71Å; H1738-F1740 PolarHBondContact O-N 2.9Å; H1738-K1743 WeakPolarHBondContact O-CE 3.29Å; H1738-K1743 PolarHBondContact O-NZ 3.04Å |
| 1739 | Y | 93.4 | Very high | 92.2 | Very high | 14 Ų | 14 | 50 Ų | 50 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | | | trans | -94.6 | 89.9 | 172.9 | -57.5 | -92.5 | 0 | 0 | 0 | 110.7 | S1640 I1645 P1646 F1727 I1728 | S1640-Y1739 VanDerWaalsContact CB-OH 3.26Å; S1640-Y1739 WeakPolarHBondContact CB-OH 3.33Å; I1645-Y1739 HydrophobicContact CB-CD2 4.39Å; I1645-Y1739 HydrophobicContact CG1-CD2 4.18Å; I1645-Y1739 HydrophobicContact CG1-CE2 4.48Å; I1645-Y1739 HydrophobicContact CG1-CG 4.21Å; I1645-Y1739 HydrophobicContact CG2-CD2 3.89Å; I1645-Y1739 HydrophobicContact CG2-CG 4.11Å; P1646-Y1739 HydrophobicContact CG-CD2 4.43Å; F1727-Y1739 WeakPolarHBondContact O-CE1 3.47Å; I1728-Y1739 HydrophobicContact CB-CD1 4.49Å; I1728-Y1739 HydrophobicContact CB-CE1 3.94Å; I1728-Y1739 HydrophobicContact CB-CE2 4.42Å; I1728-Y1739 HydrophobicContact CD1-CD2 4.14Å; I1728-Y1739 HydrophobicContact CD1-CE2 3.6Å; I1728-Y1739 HydrophobicContact CG1-CD1 4.48Å; I1728-Y1739 HydrophobicContact CG1-CD2 4.21Å; I1728-Y1739 HydrophobicContact CG1-CE1 4.22Å; I1728-Y1739 HydrophobicContact CG1-CE2 3.96Å; I1728-Y1739 HydrophobicContact CG1-CG 4.48Å |
| 1740 | F | 92 | Very high | 92.1 | Very high | 70 Ų | 70 | 50.7 Ų | 50.7 | 31% | 0.307 | 26% | 0.262 | S | S | . | . | | | trans | -78 | 148.1 | 172 | -58 | -70.3 | 0 | 0 | 0 | 112.3 | E1729 H1738 N1742 K1743 | E1729-F1740 HydrophobicContact CG-CD2 4.45Å; E1729-F1740 HydrophobicContact CG-CE2 4.47Å; E1729-F1740 WeakPolarHBondContact OE2-CD2 3.16Å; H1738-F1740 HydrophobicContact CB-CD2 4.42Å; H1738-F1740 HydrophobicContact CB-CE1 4.24Å; H1738-F1740 HydrophobicContact CB-CE2 3.88Å; H1738-F1740 HydrophobicContact CB-CZ 3.77Å; H1738-F1740 AromaticContact ND1-CD1 3.31Å; H1738-F1740 VanDerWaalsContact ND1-CD1 3.31Å; H1738-F1740 WeakPolarHBondContact ND1-CD1 3.32Å; H1738-F1740 AromaticContact ND1-CE1 3.23Å; H1738-F1740 WeakPolarHBondContact ND1-CE1 3.47Å; H1738-F1740 AromaticContact ND1-CG 3.84Å; H1738-F1740 AromaticContact ND1-CZ 3.71Å; H1738-F1740 PolarHBondContact O-N 2.9Å; F1740-N1742 WeakPolarHBondContact CB-OD1 3.38Å; F1740-N1742 PolarHBondContact O-N 3.45Å; F1740-N1742 VanDerWaalsContact O-N 3.1Å; F1740-K1743 WeakPolarHBondContact O-CB 3.15Å; F1740-K1743 WeakPolarHBondContact O-CG 3.25Å; F1740-K1743 PolarHBondContact O-N 3.45Å; F1740-K1743 VanDerWaalsContact O-N 3.12Å |
| 1741 | T | 89.5 | Confident | 91.9 | Very high | 142 Ų | 142 | 53.6 Ų | 53.6 | 87% | 0.871 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -5.9 | -170.7 | 56.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1742 | N | 89.8 | Confident | 91.8 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 31% | 0.31 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 1.9 | 173.6 | 60.9 | -54.6 | 0 | 0 | 0 | 113.2 | A1702 A1703 F1740 Y1744 | A1702-N1742 PolarHBondContact O-ND2 3.25Å; A1703-N1742 PolarHBondContact N-ND2 3.24Å; F1740-N1742 WeakPolarHBondContact CB-OD1 3.38Å; F1740-N1742 PolarHBondContact O-N 3.45Å; F1740-N1742 VanDerWaalsContact O-N 3.1Å; N1742-Y1744 WeakPolarHBondContact O-CD2 3.29Å; N1742-Y1744 PolarHBondContact O-N 2.77Å |
| 1743 | K | 92 | Very high | 92.1 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 4% | 0.039 | 33% | 0.325 | C | S | . | . | | | trans | -74.1 | 115.3 | 172.5 | -72.2 | -179.6 | 173.4 | 60.7 | 0 | 110.6 | T1701 A1702 T1725 F1727 E1729 H1738 F1740 | T1701-K1743 WeakPolarHBondContact O-CA 3.04Å; A1702-K1743 HydrophobicContact CB-CG 3.91Å; T1725-K1743 HydrophobicContact CG2-CB 4.14Å; F1727-K1743 HydrophobicContact CD2-CD 4.25Å; F1727-K1743 HydrophobicContact CE1-CB 4.42Å; F1727-K1743 HydrophobicContact CE2-CB 4.28Å; F1727-K1743 HydrophobicContact CE2-CD 3.85Å; F1727-K1743 HydrophobicContact CE2-CG 3.76Å; F1727-K1743 HydrophobicContact CZ-CB 3.82Å; F1727-K1743 HydrophobicContact CZ-CD 4.21Å; F1727-K1743 HydrophobicContact CZ-CG 3.81Å; E1729-K1743 VanDerWaalsContact CB-CE 3.43Å; E1729-K1743 IonicContact OE2-NZ 3.77Å; E1729-K1743 PolarHBondContact OE2-NZ 3.47Å; H1738-K1743 WeakPolarHBondContact O-CE 3.29Å; H1738-K1743 PolarHBondContact O-NZ 3.04Å; F1740-K1743 WeakPolarHBondContact O-CB 3.15Å; F1740-K1743 WeakPolarHBondContact O-CG 3.25Å; F1740-K1743 PolarHBondContact O-N 3.45Å; F1740-K1743 VanDerWaalsContact O-N 3.12Å |
| 1744 | Y | 94.6 | Very high | 92.5 | Very high | 141 Ų | 141 | 70 Ų | 70 | 55% | 0.553 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 142.3 | 171.5 | -65.9 | -79.3 | 0 | 0 | 0 | 110.7 | H1700 T1701 N1742 | H1700-Y1744 VanDerWaalsContact CA-O 3.27Å; H1700-Y1744 WeakPolarHBondContact CA-O 3.31Å; T1701-Y1744 PolarHBondContact N-O 3.25Å; T1701-Y1744 PolarHBondContact O-N 3.22Å; N1742-Y1744 WeakPolarHBondContact O-CD2 3.29Å; N1742-Y1744 PolarHBondContact O-N 2.77Å |
| 1745 | S | 94.4 | Very high | 92.7 | Very high | 22 Ų | 22 | 65.8 Ų | 65.8 | 15% | 0.154 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.2 | 166 | 62.3 | 0 | 0 | 0 | 0 | 109.4 | R1723 S1724 P1726 W1747 | R1723-S1745 PolarHBondContact O-OG 3.12Å; S1724-S1745 PolarHBondContact O-OG 3.1Å; P1726-S1745 VanDerWaalsContact CD-CB 3.47Å; S1745-W1747 PolarHBondContact OG-NE1 3.27Å |
| 1746 | F | 95.7 | Very high | 92.6 | Very high | 87 Ų | 87 | 69.6 Ų | 69.6 | 38% | 0.382 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133 | -175 | -57.7 | -101.6 | 0 | 0 | 0 | 108.1 | A1698 M1699 T1701 | A1698-F1746 PolarHBondContact N-O 3.28Å; M1699-F1746 HydrophobicContact CE-CD2 4.38Å; M1699-F1746 HydrophobicContact CE-CE2 4.45Å; M1699-F1746 HydrophobicContact CG-CB 3.49Å; M1699-F1746 VanDerWaalsContact CG-CB 3.49Å; M1699-F1746 HydrophobicContact CG-CD2 3.79Å; M1699-F1746 HydrophobicContact CG-CG 3.74Å; M1699-F1746 PolarHBondContact N-O 2.87Å; M1699-F1746 PolarHBondContact O-N 3.22Å; T1701-F1746 HydrophobicContact CG2-CE2 4.22Å |
| 1747 | W | 95.9 | Very high | 92.5 | Very high | 34 Ų | 34 | 77.7 Ų | 77.7 | 13% | 0.129 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149.6 | -170.9 | -54.2 | 76.1 | 0 | 0 | 0 | 108.7 | S1696 F1697 L1719 F1722 R1723 P1726 S1745 L1774 | S1696-W1747 CarbonylContact O-C 3.56Å; S1696-W1747 WeakPolarHBondContact O-CA 3.3Å; S1696-W1747 WeakPolarHBondContact O-CB 3.48Å; F1697-W1747 HydrophobicContact CB-CD2 4.47Å; F1697-W1747 HydrophobicContact CB-CE3 3.88Å; F1697-W1747 HydrophobicContact CB-CH2 4.14Å; F1697-W1747 HydrophobicContact CB-CZ3 3.68Å; F1697-W1747 HydrophobicContact CD2-CD2 4.31Å; F1697-W1747 HydrophobicContact CD2-CH2 4.3Å; F1697-W1747 HydrophobicContact CD2-CZ2 4.09Å; F1697-W1747 HydrophobicContact CD2-CZ3 4.49Å; F1697-W1747 HydrophobicContact CG-CH2 4.46Å; F1697-W1747 HydrophobicContact CG-CZ3 4.45Å; L1719-W1747 HydrophobicContact CB-CH2 4.3Å; L1719-W1747 HydrophobicContact CB-CZ3 4.29Å; L1719-W1747 HydrophobicContact CD1-CH2 3.88Å; L1719-W1747 HydrophobicContact CD1-CZ3 4.42Å; F1722-W1747 AromaticContact CD2-CD2 3.95Å; F1722-W1747 HydrophobicContact CD2-CD2 3.95Å; F1722-W1747 AromaticContact CD2-CE2 3.66Å; F1722-W1747 HydrophobicContact CD2-CE3 4.2Å; F1722-W1747 AromaticContact CD2-CH2 3.98Å; F1722-W1747 HydrophobicContact CD2-CH2 3.98Å; F1722-W1747 AromaticContact CD2-CZ2 3.69Å; F1722-W1747 HydrophobicContact CD2-CZ2 3.69Å; F1722-W1747 HydrophobicContact CD2-CZ3 4.22Å; F1722-W1747 HydrophobicContact CE2-CD2 4.14Å; F1722-W1747 AromaticContact CE2-CE2 3.69Å; F1722-W1747 HydrophobicContact CE2-CG 4.42Å; F1722-W1747 HydrophobicContact CE2-CZ2 4.05Å; F1722-W1747 AromaticContact CE2-NE1 3.67Å; R1723-W1747 VanDerWaalsContact O-CZ2 3.27Å; R1723-W1747 WeakPolarHBondContact O-CZ2 2.99Å; P1726-W1747 HydrophobicContact CB-CZ2 4.4Å; P1726-W1747 HydrophobicContact CG-CZ2 4.05Å; S1745-W1747 PolarHBondContact OG-NE1 3.27Å; W1747-L1774 HydrophobicContact CB-CD2 3.28Å; W1747-L1774 HydrophobicContact CD2-CD2 3.8Å; W1747-L1774 HydrophobicContact CE3-CD2 4.02Å; W1747-L1774 HydrophobicContact CG-CD2 3.49Å; W1747-L1774 VanDerWaalsContact CG-CD2 3.49Å |
| 1748 | L | 96 | Very high | 92.3 | Very high | 40 Ų | 40 | 83 Ų | 83 | 21% | 0.209 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 139.7 | 171.3 | -60.5 | 179.6 | 0 | 0 | 0 | 109.5 | H1675 S1696 A1698 L1712 S1775 | H1675-L1748 HydrophobicContact CB-CD1 4.15Å; S1696-L1748 PolarHBondContact O-N 2.82Å; A1698-L1748 HydrophobicContact CB-CD2 4.44Å; L1712-L1748 HydrophobicContact CD1-CD1 4.06Å; L1712-L1748 HydrophobicContact CD1-CD2 4.39Å; L1712-L1748 HydrophobicContact CD2-CD1 3.96Å; L1712-L1748 HydrophobicContact CD2-CG 4.35Å; L1748-S1775 WeakPolarHBondContact O-CB 3.49Å; L1748-S1775 PolarHBondContact O-N 3.23Å |
| 1749 | T | 94.2 | Very high | 92 | Very high | 80 Ų | 80 | 89 Ų | 89 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -90.8 | 161.3 | -179.2 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | R1773 | T1749-R1773 CarbonylContact C-O 3.48Å; T1749-R1773 VanDerWaalsContact CA-O 3.27Å; T1749-R1773 WeakPolarHBondContact CA-O 3.29Å |
| 1750 | T | 93.8 | Very high | 91.6 | Very high | 19 Ų | 19 | 93.9 Ų | 93.9 | 12% | 0.117 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -70 | 133.1 | 162.1 | 58.8 | 0 | 0 | 0 | 0 | 110.6 | Q1677 R1772 R1773 | Q1677-T1750 CarbonylContact O-C 3.49Å; Q1677-T1750 VanDerWaalsContact O-CA 3.26Å; Q1677-T1750 WeakPolarHBondContact O-CA 3.48Å; T1750-R1772 WeakPolarHBondContact CG2-O 3.49Å; T1750-R1773 PolarHBondContact N-O 3.17Å; T1750-R1773 WeakPolarHBondContact OG1-CA 3.27Å |
| 1751 | I | 92.4 | Very high | 91.4 | Very high | 62 Ų | 62 | 99 Ų | 99 | 32% | 0.318 | 49% | 0.494 | S | S | . | . | | | trans | -132.9 | 119.1 | 175.7 | -51.9 | -178.2 | 0 | 0 | 0 | 108.2 | Q1677 Q1756 | Q1677-I1751 PolarHBondContact O-N 3.28Å; I1751-Q1756 HydrophobicContact CG2-CB 4.47Å; I1751-Q1756 HydrophobicContact CG2-CG 3.87Å |
| 1752 | D | 89.2 | Confident | 91.4 | Very high | 86 Ų | 86 | 98.2 Ų | 98.2 | 46% | 0.46 | 50% | 0.495 | S | S | . | . | | | trans | -69.1 | 139.8 | 172.5 | -58.8 | -52.4 | 0 | 0 | 0 | 109.6 | Q1754 Q1755 Q1756 | D1752-Q1754 PolarHBondContact O-N 3.16Å; D1752-Q1754 VanDerWaalsContact O-N 3.12Å; D1752-Q1755 HydrophobicContact CB-CB 4.42Å; D1752-Q1755 HydrophobicContact CB-CG 4.26Å; D1752-Q1755 WeakPolarHBondContact O-CA 3.21Å; D1752-Q1755 PolarHBondContact O-N 3.32Å; D1752-Q1755 PolarHBondContact OD2-NE2 3.25Å; D1752-Q1756 PolarHBondContact O-N 3.35Å |
| 1753 | E | 87.1 | Confident | 91.3 | Very high | 165 Ų | 165 | 99.9 Ų | 99.9 | 77% | 0.771 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -53.7 | -39 | -176.5 | -63.6 | -175.5 | 142.1 | 0 | 0 | 112.6 | Q1755 Q1756 | E1753-Q1755 PolarHBondContact O-N 3.11Å; E1753-Q1756 WeakPolarHBondContact O-CG 3.05Å; E1753-Q1756 PolarHBondContact O-N 3.4Å |
| 1754 | Q | 88.7 | Confident | 91.1 | Very high | 180 Ų | 180 | 105.9 Ų | 105.9 | 84% | 0.841 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -67.3 | -14.2 | 178.5 | -60.5 | 172.6 | 6.2 | 0 | 0 | 113.8 | D1752 I1758 | D1752-Q1754 PolarHBondContact O-N 3.16Å; D1752-Q1754 VanDerWaalsContact O-N 3.12Å; Q1754-I1758 VanDerWaalsContact O-CD1 3.32Å; Q1754-I1758 WeakPolarHBondContact O-CD1 3.11Å |
| 1755 | Q | 89 | Confident | 90.7 | Very high | 94 Ų | 94 | 102.3 Ų | 102.3 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -109.8 | -5.7 | -175.9 | -65.7 | 173 | 33.6 | 0 | 0 | 113.6 | D1752 E1753 F1757 I1758 | D1752-Q1755 HydrophobicContact CB-CB 4.42Å; D1752-Q1755 HydrophobicContact CB-CG 4.26Å; D1752-Q1755 WeakPolarHBondContact O-CA 3.21Å; D1752-Q1755 PolarHBondContact O-N 3.32Å; D1752-Q1755 PolarHBondContact OD2-NE2 3.25Å; E1753-Q1755 PolarHBondContact O-N 3.11Å; Q1755-F1757 PolarHBondContact O-N 2.83Å; Q1755-I1758 PolarHBondContact O-N 3.49Å |
| 1756 | Q | 89.9 | Confident | 90.3 | Very high | 105 Ų | 105 | 109.2 Ų | 109.2 | 49% | 0.491 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53 | -32.4 | -172.6 | -72 | 177.6 | 1.7 | 0 | 0 | 115 | I1751 D1752 E1753 | I1751-Q1756 HydrophobicContact CG2-CB 4.47Å; I1751-Q1756 HydrophobicContact CG2-CG 3.87Å; D1752-Q1756 PolarHBondContact O-N 3.35Å; E1753-Q1756 WeakPolarHBondContact O-CG 3.05Å; E1753-Q1756 PolarHBondContact O-N 3.4Å |
| 1757 | F | 93.5 | Very high | 89.5 | Confident | 197 Ų | 197 | 109.6 Ų | 109.6 | 86% | 0.864 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 13.5 | -178.6 | -55.7 | -76.5 | 0 | 0 | 0 | 113.2 | Q1755 | Q1755-F1757 PolarHBondContact O-N 2.83Š|
| 1758 | I | 91.2 | Very high | 88.6 | Confident | 111 Ų | 111 | 111.4 Ų | 111.4 | 57% | 0.569 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -94.6 | 152 | 174.2 | -56.2 | -175.9 | 0 | 0 | 0 | 108.6 | Q1754 Q1755 P1760 | Q1754-I1758 VanDerWaalsContact O-CD1 3.32Å; Q1754-I1758 WeakPolarHBondContact O-CD1 3.11Å; Q1755-I1758 PolarHBondContact O-N 3.49Å; I1758-P1760 WeakPolarHBondContact O-CD 3.36Å |
| 1759 | I | 89.3 | Confident | 87.8 | Confident | 154 Ų | 154 | 114.6 Ų | 114.6 | 79% | 0.79 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 119.5 | 173.2 | -59.5 | 175.1 | 0 | 0 | 0 | 108.7 | Q1761 | I1759-Q1761 PolarHBondContact O-N 2.9Š|
| 1760 | P | 86.5 | Confident | 87.2 | Confident | 116 Ų | 116 | 113.1 Ų | 113.1 | 75% | 0.753 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 134 | -177.2 | 27 | -34.3 | 0 | 0 | 0 | 110.7 | I1758 | I1758-P1760 WeakPolarHBondContact O-CD 3.36Š|
| 1761 | Q | 86.4 | Confident | 86.7 | Confident | 176 Ų | 176 | 116.2 Ų | 116.2 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 134.7 | 175.9 | -63.3 | -163.3 | 3.5 | 0 | 0 | 110.7 | I1759 E1763 | I1759-Q1761 PolarHBondContact O-N 2.9Å; Q1761-E1763 PolarHBondContact O-N 2.97Å |
| 1762 | S | 89.5 | Confident | 86.5 | Confident | 127 Ų | 127 | 122.6 Ų | 122.6 | 89% | 0.888 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 117.3 | -179 | -167.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1763 | E | 87.7 | Confident | 86.6 | Confident | 93 Ų | 93 | 122.5 Ų | 122.5 | 44% | 0.435 | 64% | 0.638 | S | S | . | * | | | trans | -119.4 | 139.1 | -179.4 | -67.6 | -175.8 | 167 | 0 | 0 | 111.7 | Q1761 L1765 R1773 | Q1761-E1763 PolarHBondContact O-N 2.97Å; E1763-L1765 HydrophobicContact CB-CD2 4.33Å; E1763-L1765 HydrophobicContact CB-CG 4.49Å; E1763-R1773 VanDerWaalsContact CD-NH2 3.28Å; E1763-R1773 IonicContact OE1-CZ 2.79Å; E1763-R1773 IonicContact OE1-NE 2.72Å; E1763-R1773 IonicContact OE1-NH2 2.6Å; E1763-R1773 PolarHBondContact OE1-NH2 3.05Å; E1763-R1773 IonicContact OE2-CZ 3.21Å; E1763-R1773 IonicContact OE2-NE 2.65Å; E1763-R1773 PolarHBondContact OE2-NE 3.27Å; E1763-R1773 IonicContact OE2-NH2 3.44Å; E1763-R1773 PolarHBondContact OE2-NH2 3.28Å |
| 1764 | T | 89 | Confident | 86.8 | Confident | 135 Ų | 135 | 115.2 Ų | 115.2 | 83% | 0.828 | 61% | 0.605 | S | S | * | * | | | trans | -104.9 | 96.1 | 169.6 | -61.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1765 | L | 86.2 | Confident | 87.2 | Confident | 66 Ų | 66 | 106.6 Ų | 106.6 | 35% | 0.346 | 56% | 0.564 | S | S | . | * | | | trans | -79.5 | 134.8 | -175.5 | -59.2 | 171 | 0 | 0 | 0 | 111.8 | E1763 L1770 R1773 | E1763-L1765 HydrophobicContact CB-CD2 4.33Å; E1763-L1765 HydrophobicContact CB-CG 4.49Å; L1765-L1770 HydrophobicContact CB-CD2 3.66Å; L1765-L1770 HydrophobicContact CB-CG 4.31Å; L1765-L1770 HydrophobicContact CD1-CD2 4.48Å; L1765-R1773 HydrophobicContact CD1-CB 3.52Å; L1765-R1773 HydrophobicContact CD1-CG 3.79Å; L1765-R1773 HydrophobicContact CD2-CG 4.09Å |
| 1766 | K | 86.2 | Confident | 87.6 | Confident | 167 Ų | 167 | 104.5 Ų | 104.5 | 73% | 0.726 | 55% | 0.552 | S | S | * | * | | | trans | -107.7 | 165.5 | 174.1 | -66 | -179.4 | -178.4 | 174.8 | 0 | 110.8 | N1769 L1770 | K1766-N1769 PolarHBondContact O-N 3.16Å; K1766-L1770 PolarHBondContact O-N 2.91Å |
| 1767 | A | 78.6 | Confident | 88 | Confident | 95 Ų | 95 | 99.5 Ų | 99.5 | 79% | 0.785 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 144.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | N1769 | A1767-N1769 PolarHBondContact O-N 3.31Š|
| 1768 | G | 77.1 | Confident | 88.2 | Confident | 72 Ų | 72 | 92.1 Ų | 92.1 | 74% | 0.742 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | -54.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1769 | N | 78.1 | Confident | 88.5 | Confident | 107 Ų | 107 | 86.8 Ų | 86.8 | 57% | 0.572 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -16.7 | -174.1 | -75.2 | -7.6 | 0 | 0 | 0 | 115.1 | K1766 A1767 I1771 R1772 | K1766-N1769 PolarHBondContact O-N 3.16Å; A1767-N1769 PolarHBondContact O-N 3.31Å; N1769-I1771 VanDerWaalsContact C-N 3.32Å; N1769-I1771 PolarHBondContact O-N 2.93Å; N1769-R1772 PolarHBondContact O-N 3.08Å |
| 1770 | L | 80.9 | Confident | 88.8 | Confident | 48 Ų | 48 | 79.5 Ų | 79.5 | 25% | 0.251 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -45.6 | -51.5 | 179.4 | -74 | 161.3 | 0 | 0 | 0 | 113.3 | F1722 L1765 K1766 R1772 R1773 | F1722-L1770 HydrophobicContact CE1-CB 4.02Å; F1722-L1770 HydrophobicContact CE1-CD1 4.04Å; F1722-L1770 HydrophobicContact CZ-CB 4.36Å; F1722-L1770 HydrophobicContact CZ-CD1 4.3Å; L1765-L1770 HydrophobicContact CB-CD2 3.66Å; L1765-L1770 HydrophobicContact CB-CG 4.31Å; L1765-L1770 HydrophobicContact CD1-CD2 4.48Å; K1766-L1770 PolarHBondContact O-N 2.91Å; L1770-R1772 PolarHBondContact O-N 3.3Å; L1770-R1772 VanDerWaalsContact O-N 3.13Å; L1770-R1773 PolarHBondContact O-N 3.12Å |
| 1771 | I | 84.9 | Confident | 89.2 | Confident | 85 Ų | 85 | 74.7 Ų | 74.7 | 44% | 0.436 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -57.6 | -31.6 | -172.2 | -66.3 | 176.5 | 0 | 0 | 0 | 112.7 | Y1695 F1722 N1769 R1773 L1774 | Y1695-I1771 HydrophobicContact CE1-CG2 3.98Å; F1722-I1771 HydrophobicContact CD1-CG1 4.24Å; N1769-I1771 VanDerWaalsContact C-N 3.32Å; N1769-I1771 PolarHBondContact O-N 2.93Å; I1771-R1773 VanDerWaalsContact C-N 3.29Å; I1771-R1773 PolarHBondContact O-N 3.12Å; I1771-L1774 PolarHBondContact O-N 3.13Å |
| 1772 | R | 87.5 | Confident | 89.5 | Confident | 196 Ų | 196 | 73.3 Ų | 73.3 | 74% | 0.74 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -70.4 | -22.3 | -179.2 | -68.7 | -173.5 | 175.1 | -160.7 | -1.4 | 114.1 | T1750 N1769 L1770 | T1750-R1772 WeakPolarHBondContact CG2-O 3.49Å; N1769-R1772 PolarHBondContact O-N 3.08Å; L1770-R1772 PolarHBondContact O-N 3.3Å; L1770-R1772 VanDerWaalsContact O-N 3.13Å |
| 1773 | R | 90.6 | Very high | 89.4 | Confident | 83 Ų | 83 | 70.4 Ų | 70.4 | 31% | 0.313 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -101.2 | 3.3 | 179.9 | -76.9 | -70.8 | -159.2 | -162.4 | 2.4 | 113.4 | T1749 T1750 E1763 L1765 L1770 I1771 | T1749-R1773 CarbonylContact C-O 3.48Å; T1749-R1773 VanDerWaalsContact CA-O 3.27Å; T1749-R1773 WeakPolarHBondContact CA-O 3.29Å; T1750-R1773 PolarHBondContact N-O 3.17Å; T1750-R1773 WeakPolarHBondContact OG1-CA 3.27Å; E1763-R1773 VanDerWaalsContact CD-NH2 3.28Å; E1763-R1773 IonicContact OE1-CZ 2.79Å; E1763-R1773 IonicContact OE1-NE 2.72Å; E1763-R1773 IonicContact OE1-NH2 2.6Å; E1763-R1773 PolarHBondContact OE1-NH2 3.05Å; E1763-R1773 IonicContact OE2-CZ 3.21Å; E1763-R1773 IonicContact OE2-NE 2.65Å; E1763-R1773 PolarHBondContact OE2-NE 3.27Å; E1763-R1773 IonicContact OE2-NH2 3.44Å; E1763-R1773 PolarHBondContact OE2-NH2 3.28Å; L1765-R1773 HydrophobicContact CD1-CB 3.52Å; L1765-R1773 HydrophobicContact CD1-CG 3.79Å; L1765-R1773 HydrophobicContact CD2-CG 4.09Å; L1770-R1773 PolarHBondContact O-N 3.12Å; I1771-R1773 VanDerWaalsContact C-N 3.29Å; I1771-R1773 PolarHBondContact O-N 3.12Å |
| 1774 | L | 92.6 | Very high | 89.1 | Confident | 12 Ų | 12 | 74.1 Ų | 74.1 | 6% | 0.063 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 130.6 | 177.4 | -83.1 | 146.5 | 0 | 0 | 0 | 111.8 | Y1695 F1722 W1747 I1771 R1776 | Y1695-L1774 HydrophobicContact CD1-CB 4.04Å; F1722-L1774 HydrophobicContact CD1-CD1 3.92Å; F1722-L1774 HydrophobicContact CD2-CD1 3.45Å; F1722-L1774 VanDerWaalsContact CD2-CD1 3.45Å; F1722-L1774 HydrophobicContact CD2-CD2 3.91Å; F1722-L1774 HydrophobicContact CD2-CG 4.36Å; F1722-L1774 HydrophobicContact CE1-CD1 3.96Å; F1722-L1774 HydrophobicContact CE2-CD1 3.51Å; F1722-L1774 HydrophobicContact CE2-CD2 3.99Å; F1722-L1774 HydrophobicContact CE2-CG 4.39Å; F1722-L1774 HydrophobicContact CG-CD1 3.67Å; F1722-L1774 HydrophobicContact CZ-CD1 3.77Å; W1747-L1774 HydrophobicContact CB-CD2 3.28Å; W1747-L1774 HydrophobicContact CD2-CD2 3.8Å; W1747-L1774 HydrophobicContact CE3-CD2 4.02Å; W1747-L1774 HydrophobicContact CG-CD2 3.49Å; W1747-L1774 VanDerWaalsContact CG-CD2 3.49Å; I1771-L1774 PolarHBondContact O-N 3.13Å; L1774-R1776 PolarHBondContact O-N 3.13Å |
| 1775 | S | 96.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 129.2 | 171.2 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | Q1677 S1678 S1696 L1748 | Q1677-S1775 VanDerWaalsContact CA-OG 3.26Å; Q1677-S1775 WeakPolarHBondContact CA-OG 3.38Å; Q1677-S1775 PolarHBondContact N-OG 3Å; S1678-S1775 WeakPolarHBondContact O-CA 3Å; S1696-S1775 VanDerWaalsContact CB-O 3.31Å; S1696-S1775 WeakPolarHBondContact CB-O 3.17Å; S1696-S1775 PolarHBondContact N-O 3.21Å; S1696-S1775 VanDerWaalsContact OG-C 3.3Å; S1696-S1775 WeakPolarHBondContact OG-CB 3.37Å; S1696-S1775 PolarHBondContact OG-O 3.47Å; S1696-S1775 PolarHBondContact OG-OG 3.24Å; L1748-S1775 WeakPolarHBondContact O-CB 3.49Å; L1748-S1775 PolarHBondContact O-N 3.23Å |
| 1776 | R | 97.2 | Very high | 89.3 | Confident | 49 Ų | 49 | 71.3 Ų | 71.3 | 19% | 0.185 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 163.5 | 169.8 | -58.9 | -61 | -68.5 | -82.6 | 4 | 111.7 | S1676 S1678 S1679 I1680 V1681 D1693 G1694 S1696 L1774 | S1676-R1776 PolarHBondContact N-O 3.43Å; S1676-R1776 PolarHBondContact OG-O 2.67Å; S1678-R1776 PolarHBondContact O-N 3.43Å; S1679-R1776 WeakPolarHBondContact O-CG 3.47Å; I1680-R1776 WeakPolarHBondContact O-CB 3.35Å; V1681-R1776 HydrophobicContact CG2-CB 4.17Å; V1681-R1776 HydrophobicContact CG2-CG 4.36Å; D1693-R1776 IonicContact OD2-CZ 2.8Å; D1693-R1776 IonicContact OD2-NH2 3.44Å; D1693-R1776 PolarHBondContact OD2-NH2 3.01Å; G1694-R1776 WeakPolarHBondContact O-CA 3.15Å; G1694-R1776 WeakPolarHBondContact O-CD 3.44Å; G1694-R1776 PolarHBondContact O-NE 3.33Å; S1696-R1776 PolarHBondContact OG-O 2.88Å; L1774-R1776 PolarHBondContact O-N 3.13Å |
| 1777 | C | 97.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 160.1 | 176.5 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | V1674 H1675 D1693 G1694 Y1695 C1718 | V1674-C1777 CarbonylContact O-C 3.55Å; V1674-C1777 WeakPolarHBondContact O-CA 3.41Å; V1674-C1777 WeakPolarHBondContact O-CB 3.49Å; H1675-C1777 WeakPolarHBondContact ND1-CB 3.33Å; D1693-C1777 WeakPolarHBondContact CA-O 3.44Å; G1694-C1777 PolarHBondContact N-O 3.48Å; G1694-C1777 PolarHBondContact O-N 3.12Å; G1694-C1777 VanDerWaalsContact O-N 3.17Å; Y1695-C1777 PolarHBondContact N-SG 3.4Å; Y1695-C1777 VanDerWaalsContact N-SG 3.37Å; C1718-C1777 WeakPolarHBondContact CA-SG 3.25Å; C1718-C1777 HydrophobicContact CB-CB 3.89Å; C1718-C1777 WeakPolarHBondContact CB-SG 3.2Å; C1718-C1777 VanDerWaalsContact SG-C 3.54Å; C1718-C1777 WeakPolarHBondContact SG-CB 3.17Å; C1718-C1777 CovalentContact SG-SG 2.03Å; C1718-C1777 PolarHBondContact SG-SG 2.87Å |
| 1778 | Q | 98 | Very high | 90.1 | Very high | 42 Ų | 42 | 64.3 Ų | 64.3 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140.2 | 168.6 | -167.1 | 169.4 | 49 | 0 | 0 | 108.8 | V1674 V1681 P1682 C1684 W1692 | V1674-Q1778 HydrophobicContact CG2-CB 4.17Å; V1674-Q1778 WeakPolarHBondContact CG2-O 3.03Å; V1674-Q1778 PolarHBondContact N-O 3.08Å; V1674-Q1778 PolarHBondContact O-N 2.83Å; V1681-Q1778 HydrophobicContact CG1-CB 4.03Å; P1682-Q1778 HydrophobicContact CG-CB 4.37Å; P1682-Q1778 WeakPolarHBondContact O-CB 3.39Å; P1682-Q1778 PolarHBondContact O-OE1 3.33Å; C1684-Q1778 VanDerWaalsContact N-OE1 3.15Å; C1684-Q1778 VanDerWaalsContact SG-CD 3.59Å; C1684-Q1778 PolarHBondContact SG-OE1 3.5Å; W1692-Q1778 WeakPolarHBondContact O-CG 3.05Å |
| 1779 | V | 97.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 127.7 | 171.1 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | V1671 I1672 A1673 L1691 W1692 P1715 C1718 | V1671-V1779 HydrophobicContact CG1-CG1 3.36Å; I1672-V1779 CarbonylContact O-C 3.57Å; I1672-V1779 WeakPolarHBondContact O-CA 3.47Å; A1673-V1779 HydrophobicContact CB-CG2 4.39Å; L1691-V1779 HydrophobicContact CD1-CG1 4.38Å; L1691-V1779 PolarHBondContact N-O 3.33Å; W1692-V1779 HydrophobicContact CD2-CB 3.88Å; W1692-V1779 HydrophobicContact CD2-CG1 4.33Å; W1692-V1779 HydrophobicContact CD2-CG2 4.11Å; W1692-V1779 VanDerWaalsContact CE2-CG2 3.47Å; W1692-V1779 HydrophobicContact CE3-CB 4.23Å; W1692-V1779 HydrophobicContact CE3-CG1 4.26Å; W1692-V1779 HydrophobicContact CG-CB 4.35Å; W1692-V1779 HydrophobicContact CG-CG2 4.49Å; W1692-V1779 HydrophobicContact CH2-CB 4.34Å; W1692-V1779 HydrophobicContact CH2-CG1 3.83Å; W1692-V1779 HydrophobicContact CH2-CG2 4.45Å; W1692-V1779 HydrophobicContact CZ2-CB 4.01Å; W1692-V1779 HydrophobicContact CZ2-CG1 3.91Å; W1692-V1779 HydrophobicContact CZ2-CG2 3.7Å; W1692-V1779 HydrophobicContact CZ3-CB 4.43Å; W1692-V1779 HydrophobicContact CZ3-CG1 3.99Å; W1692-V1779 PolarHBondContact O-N 3.37Å; P1715-V1779 HydrophobicContact CB-CG1 3.96Å; P1715-V1779 HydrophobicContact CB-CG2 4.29Å; P1715-V1779 HydrophobicContact CG-CG1 4Å; C1718-V1779 HydrophobicContact CB-CG2 3.51Å |
| 1780 | C | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 131.5 | -168.1 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | V1671 I1672 C1684 W1688 S1689 | V1671-C1780 VanDerWaalsContact CA-O 3.27Å; V1671-C1780 WeakPolarHBondContact CA-O 3.36Å; V1671-C1780 WeakPolarHBondContact CG1-O 3.45Å; I1672-C1780 HydrophobicContact CG1-CB 4.29Å; I1672-C1780 PolarHBondContact N-O 3.19Å; I1672-C1780 PolarHBondContact O-N 3.05Å; C1684-C1780 WeakPolarHBondContact CA-SG 3.37Å; C1684-C1780 HydrophobicContact CB-CB 3.86Å; C1684-C1780 WeakPolarHBondContact CB-SG 3.37Å; C1684-C1780 WeakPolarHBondContact SG-CB 3.28Å; C1684-C1780 CovalentContact SG-SG 2.03Å; C1684-C1780 PolarHBondContact SG-SG 3.17Å; W1688-C1780 HydrophobicContact CB-CB 4.11Å; W1688-C1780 HydrophobicContact CE3-CB 4.11Å; S1689-C1780 CarbonylContact O-C 3.56Å; S1689-C1780 WeakPolarHBondContact O-CA 3.32Å |
| 1781 | I | 94.6 | Very high | 92.5 | Very high | 16 Ų | 16 | 61.9 Ų | 61.9 | 8% | 0.082 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139.2 | 167.7 | -173 | 164.8 | 0 | 0 | 0 | 110.1 | I1564 A1667 A1669 V1671 W1688 S1689 L1691 S1783 | I1564-I1781 HydrophobicContact CD1-CD1 4.33Å; A1667-I1781 HydrophobicContact CB-CD1 4.08Å; A1669-I1781 HydrophobicContact CB-CD1 4.33Å; A1669-I1781 HydrophobicContact CB-CG1 3.92Å; V1671-I1781 HydrophobicContact CG2-CB 3.89Å; V1671-I1781 HydrophobicContact CG2-CD1 4.11Å; V1671-I1781 HydrophobicContact CG2-CG1 3.83Å; W1688-I1781 CarbonylContact C-O 3.51Å; W1688-I1781 VanDerWaalsContact CA-O 3.24Å; W1688-I1781 WeakPolarHBondContact CA-O 3.41Å; W1688-I1781 WeakPolarHBondContact CB-O 3.34Å; W1688-I1781 VanDerWaalsContact CE3-C 3.41Å; S1689-I1781 PolarHBondContact N-O 3.39Å; S1689-I1781 PolarHBondContact O-N 2.91Å; S1689-I1781 WeakPolarHBondContact OG-CG2 3.32Å; L1691-I1781 HydrophobicContact CD1-CB 4.07Å; L1691-I1781 HydrophobicContact CD1-CG2 4.46Å; L1691-I1781 HydrophobicContact CD2-CB 4.16Å; L1691-I1781 HydrophobicContact CD2-CG2 3.65Å; L1691-I1781 HydrophobicContact CG-CB 4.07Å; L1691-I1781 HydrophobicContact CG-CG2 3.97Å; I1781-S1783 PolarHBondContact O-N 3.3Å |
| 1782 | R | 93.3 | Very high | 93.1 | Very high | 146 Ų | 146 | 60.1 Ų | 60.1 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 130.7 | 174.3 | -172.4 | 178.7 | 179.9 | 123.5 | -1.1 | 109.6 | A1669 N1670 W1688 | A1669-R1782 HydrophobicContact CB-CB 4.05Å; A1669-R1782 WeakPolarHBondContact CB-O 3.47Å; N1670-R1782 PolarHBondContact O-N 3.22Å; W1688-R1782 HydrophobicContact CD2-CB 3.83Å; W1688-R1782 HydrophobicContact CD2-CG 4.31Å; W1688-R1782 HydrophobicContact CE3-CB 3.8Å; W1688-R1782 HydrophobicContact CG-CB 4.5Å; W1688-R1782 HydrophobicContact CH2-CB 3.98Å; W1688-R1782 HydrophobicContact CZ2-CB 4.03Å; W1688-R1782 HydrophobicContact CZ2-CG 4.29Å; W1688-R1782 HydrophobicContact CZ3-CB 3.86Å |
| 1783 | S | 88.2 | Confident | 93.6 | Very high | 67 Ų | 67 | 48.8 Ų | 48.8 | 47% | 0.469 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -71.7 | 142 | 174.4 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | G1687 I1781 | G1687-S1783 PolarHBondContact O-N 3.37Å; I1781-S1783 PolarHBondContact O-N 3.3Å |
| 1784 | V | 80.5 | Confident | 93.8 | Very high | 170 Ų | 170 | 45.6 Ų | 45.6 | 100% | 1.03 | 23% | 0.234 | S | C | * | . | | | trans | -133.5 | 0 | -177.8 | -167.3 | 0 | 0 | 0 | 0 | 108.6 | A1669 | A1669-V1784 HydrophobicContact CB-CG2 3.56Š|