| 1 | M | 35.8 | Very low | 40.6 | Very low | 222 Ų | 222 | 153.7 Ų | 153.7 | 100% | 1.094 | 81% | 0.81 | S | S | * | * | | | | 0 | 166.4 | 0 | -71.8 | 151.1 | 70.9 | 0 | 0 | 108.9 | | |
| 2 | Q | 39.1 | Very low | 40.7 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | trans | 16.2 | 112.8 | 159.2 | -66.8 | 145.9 | -3.9 | 0 | 0 | 117.5 | | |
| 3 | K | 45.3 | Very low | 40.2 | Very low | 200 Ų | 200 | 158.2 Ų | 158.2 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | | | | 59.6 | 113.6 | 86.7 | -76.3 | -168 | 174.1 | -172.8 | 0 | 114.3 | | |
| 4 | A | 42.1 | Very low | 40 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | | | trans | -129.5 | 145.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 5 | T | 45.7 | Very low | 39.6 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -143.9 | 143.6 | -169.9 | -11.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 6 | Y | 35.6 | Very low | 39.3 | Very low | 214 Ų | 214 | 151.8 Ų | 151.8 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | | | trans | 49.2 | 117.4 | 147.5 | -138 | -101 | 0 | 0 | 0 | 119.6 | | |
| 7 | Y | 42.7 | Very low | 39 | Very low | 226 Ų | 226 | 150.4 Ų | 150.4 | 89% | 0.886 | 81% | 0.811 | S | S | * | * | | | trans | -113.2 | 108.1 | 148.1 | -114.5 | -101.8 | 0 | 0 | 0 | 104.9 | | |
| 8 | D | 41.1 | Very low | 39.1 | Very low | 105 Ų | 105 | 154.7 Ų | 154.7 | 56% | 0.561 | 82% | 0.815 | S | S | * | * | | | | 53 | 123.4 | 94.9 | -147.6 | -63 | 0 | 0 | 0 | 114.6 | S10 | D8-S10 PolarHBondContact OD1-OG 3.13Š|
| 9 | N | 36.1 | Very low | 39.9 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | trans | -152.8 | 104.9 | 173.3 | -177.7 | -0.9 | 0 | 0 | 0 | 107.3 | | |
| 10 | S | 42.6 | Very low | 40 | Very low | 99 Ų | 99 | 153.2 Ų | 153.2 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | | | trans | -144.3 | 128.8 | -172.9 | 49.5 | 0 | 0 | 0 | 0 | 111.3 | D8 | D8-S10 PolarHBondContact OD1-OG 3.13Š|
| 11 | G | 40.3 | Very low | 40.5 | Very low | 68 Ų | 68 | 151.6 Ų | 151.6 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | | | trans | 153.1 | 70.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 12 | L | 42.7 | Very low | 40.9 | Very low | 155 Ų | 155 | 147 Ų | 147 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | | 83.2 | 135 | 86.6 | -102.4 | 70.6 | 0 | 0 | 0 | 115.6 | | |
| 13 | F | 34.3 | Very low | 40.8 | Very low | 210 Ų | 210 | 142.8 Ų | 142.8 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | trans | 62.9 | 137.5 | 171.3 | -88.2 | -105.9 | 0 | 0 | 0 | 118 | | |
| 14 | G | 36.9 | Very low | 40.4 | Very low | 68 Ų | 68 | 143.8 Ų | 143.8 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | cis | 167.9 | 131.4 | -10.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 15 | G | 34.3 | Very low | 40 | Very low | 70 Ų | 70 | 144.7 Ų | 144.7 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | 84.1 | 120.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 16 | Y | 33.8 | Very low | 39.7 | Very low | 234 Ų | 234 | 149.8 Ų | 149.8 | 92% | 0.918 | 78% | 0.78 | S | S | * | * | | | | -165.3 | 168 | 100.3 | -104.2 | -73.5 | 0 | 0 | 0 | 110.5 | | |
| 17 | T | 34.9 | Very low | 39.6 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 143.5 | -158.3 | 44 | 0 | 0 | 0 | 0 | 115.1 | | |
| 18 | Y | 41.1 | Very low | 40.1 | Very low | 228 Ų | 228 | 138.9 Ų | 138.9 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 138.9 | 167.8 | -112.9 | -89 | 0 | 0 | 0 | 110.8 | | |
| 19 | P | 54.8 | Low | 39.9 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 138.8 | 154.4 | 33.3 | -29.3 | 0 | 0 | 0 | 110.4 | | |
| 20 | K | 41.9 | Very low | 40 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 167.7 | 168 | -132.8 | -176.3 | 178.3 | -164.5 | 0 | 109.7 | D22 | K20-D22 IonicContact NZ-OD1 3.61Š|
| 21 | P | 50.6 | Low | 39.8 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | | -137 | 172.9 | 107.8 | 30.1 | -14.2 | 0 | 0 | 0 | 115.2 | | |
| 22 | D | 42.5 | Very low | 39.4 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 67% | 0.674 | 80% | 0.796 | S | S | * | * | | | trans | -87 | -178.2 | -171.4 | -55.1 | -70.9 | 0 | 0 | 0 | 112.8 | K20 | K20-D22 IonicContact NZ-OD1 3.61Š|
| 23 | S | 36.9 | Very low | 38.8 | Very low | 73 Ų | 73 | 148.4 Ų | 148.4 | 51% | 0.51 | 80% | 0.798 | S | S | . | * | | | cis | -172.6 | 157.9 | -40.4 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 24 | Y | 38.3 | Very low | 39.6 | Very low | 222 Ų | 222 | 144 Ų | 144 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | | | trans | 59.5 | 127.6 | 168.6 | -54.8 | -67.2 | 0 | 0 | 0 | 120.3 | | |
| 25 | S | 33.4 | Very low | 39.7 | Very low | 123 Ų | 123 | 145 Ų | 145 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | | -172.2 | 174.2 | 106.7 | -157.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 26 | Y | 38.1 | Very low | 40.4 | Very low | 231 Ų | 231 | 147.9 Ų | 147.9 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -96 | 171.7 | 179.9 | -104.7 | -117.9 | 0 | 0 | 0 | 113 | | |
| 27 | G | 35.3 | Very low | 40.5 | Very low | 67 Ų | 67 | 144.1 Ų | 144.1 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | trans | -76 | -162 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 28 | P | 51.7 | Low | 40.8 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 93% | 0.929 | 79% | 0.791 | S | S | * | * | | | cis | -132.8 | -153.9 | 31 | 42.3 | -24 | 0 | 0 | 0 | 114.4 | | |
| 29 | A | 38.3 | Very low | 40.7 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | -108 | 162.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 30 | H | 36.9 | Very low | 39.9 | Very low | 195 Ų | 195 | 140.6 Ų | 140.6 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | | | trans | -154.7 | 165.5 | 149.3 | -130.1 | -102.7 | 0 | 0 | 0 | 112.5 | | |
| 31 | Q | 38.5 | Very low | 39.6 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | -93.6 | 159 | -169.6 | -53.8 | 179.5 | 17.8 | 0 | 0 | 115.4 | | |
| 32 | S | 31.4 | Very low | 38.9 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | | -163.5 | 146.5 | 128.2 | 31.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 33 | Y | 31 | Very low | 38.7 | Very low | 220 Ų | 220 | 148.3 Ų | 148.3 | 86% | 0.863 | 80% | 0.804 | S | S | * | * | | | trans | -110.4 | 176.4 | 168.1 | -96.2 | -93.8 | 0 | 0 | 0 | 107.7 | | |
| 34 | P | 49.9 | Very low | 38.5 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | cis | -135.9 | 170.1 | 9.2 | 38.7 | -19.2 | 0 | 0 | 0 | 118.5 | | |
| 35 | A | 40.3 | Very low | 38.4 | Very low | 88 Ų | 88 | 142.9 Ų | 142.9 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | 12.4 | 149.6 | 147.9 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 36 | P | 48.5 | Very low | 38.4 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | trans | -98.1 | 168.2 | 143.4 | 37.3 | -30.7 | 0 | 0 | 0 | 112.9 | | |
| 37 | N | 35.8 | Very low | 38.5 | Very low | 155 Ų | 155 | 138 Ų | 138 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | | | trans | -113.4 | 177.9 | -172.6 | -156.6 | 2 | 0 | 0 | 0 | 113 | | |
| 38 | I | 41.6 | Very low | 39.3 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | | | trans | -85.2 | 179.6 | -171.6 | 60.1 | 163.5 | 0 | 0 | 0 | 115.7 | | |
| 39 | D | 38.6 | Very low | 38.6 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | | | trans | -33.4 | 158.5 | 169.2 | -57.5 | -104.2 | 0 | 0 | 0 | 115.8 | | |
| 40 | T | 38.1 | Very low | 38.4 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | cis | -165.9 | 164.3 | 47.8 | -34.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 41 | D | 35.2 | Very low | 38.3 | Very low | 161 Ų | 161 | 141 Ų | 141 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | | 165.8 | 179.9 | 123.2 | -95.5 | -48.7 | 0 | 0 | 0 | 115.1 | | |
| 42 | Y | 37.3 | Very low | 38.2 | Very low | 215 Ų | 215 | 137.5 Ų | 137.5 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | -137.9 | 119.6 | -144.3 | 179.3 | -81.3 | 0 | 0 | 0 | 113.5 | | |
| 43 | Q | 38 | Very low | 38.4 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | | | trans | -163.7 | 126.7 | 164.2 | -121.3 | 164.4 | -6.5 | 0 | 0 | 117 | | |
| 44 | G | 32.6 | Very low | 38.6 | Very low | 61 Ų | 61 | 133.5 Ų | 133.5 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | | | | 83.1 | 89.4 | 115.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 45 | S | 36.3 | Very low | 38 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | | 77.5 | 158.8 | 123.9 | -55.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 46 | V | 32.2 | Very low | 38.5 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | 79.3 | 108.6 | 163.5 | -165.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 47 | C | 40.6 | Very low | 39 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -98.7 | 156.9 | 151.6 | -59.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 48 | P | 52.1 | Low | 39.7 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | trans | -130.5 | 168.5 | 138.6 | 35.6 | -25.2 | 0 | 0 | 0 | 113.9 | | |
| 49 | I | 37.9 | Very low | 39.4 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | trans | -126.6 | 145.6 | -169.3 | -62.2 | 164.9 | 0 | 0 | 0 | 110.2 | | |
| 50 | Q | 34 | Very low | 39.3 | Very low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | 155.8 | 131.2 | 148.9 | -85 | 159.4 | 100.6 | 0 | 0 | 108.5 | | |
| 51 | T | 34.9 | Very low | 39.2 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | | 62.6 | 129.6 | 58.3 | 71 | 0 | 0 | 0 | 0 | 112.3 | | |
| 52 | S | 35.5 | Very low | 39.4 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | cis | -165.4 | 162.4 | 41.9 | -59.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 53 | T | 35.9 | Very low | 39.4 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | | | trans | 64.6 | 119.6 | 140.3 | 48.2 | 0 | 0 | 0 | 0 | 126.9 | | |
| 54 | V | 35.6 | Very low | 39.4 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | | 80.7 | 108.3 | 123.2 | 179.7 | 0 | 0 | 0 | 0 | 124 | | |
| 55 | R | 36.2 | Very low | 39.8 | Very low | 234 Ų | 234 | 137.9 Ų | 137.9 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | 38 | 163.6 | 131.6 | -92.6 | -163.1 | 157.1 | -152.9 | -3.1 | 123.9 | | |
| 56 | P | 51.4 | Low | 39.9 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | | | cis | -132.6 | -134.6 | -35.7 | 34.7 | -9.9 | 0 | 0 | 0 | 114.3 | | |
| 57 | P | 60.1 | Low | 40 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | | -117.6 | 178.1 | -119.1 | 44 | -25.6 | 0 | 0 | 0 | 116.9 | | |
| 58 | P | 49.6 | Very low | 39.9 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | | -138.7 | 144.2 | 98.5 | 26.2 | -7.1 | 0 | 0 | 0 | 113 | | |
| 59 | A | 36.3 | Very low | 39.3 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | | 86.4 | 138.3 | 63.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 60 | L | 35.3 | Very low | 39.5 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | | | trans | 71.3 | 145.9 | -171.9 | -54.4 | 166.4 | 0 | 0 | 0 | 114 | | |
| 61 | K | 36.1 | Very low | 39.5 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | cis | -152.4 | 152.3 | 13.5 | -149.5 | 177.2 | -171.9 | -178.9 | 0 | 111 | | |
| 62 | D | 38.8 | Very low | 39.5 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -66.9 | 147.4 | 172.2 | -59.7 | -92.3 | 0 | 0 | 0 | 113.4 | | |
| 63 | S | 39 | Very low | 39.3 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | -163.7 | 123.2 | 162.9 | -80.3 | 0 | 0 | 0 | 0 | 110 | | |
| 64 | D | 37.4 | Very low | 39.2 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | | | trans | -67.1 | 145.1 | 176.9 | -59.5 | -93.9 | 0 | 0 | 0 | 113.5 | | |
| 65 | L | 39.9 | Very low | 39.1 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | | | trans | -130.1 | 69.9 | 171.3 | -74.7 | 177.3 | 0 | 0 | 0 | 111.2 | | |
| 66 | N | 38.3 | Very low | 39.2 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | -90.9 | 99.5 | 163.8 | -165.8 | 44.6 | 0 | 0 | 0 | 109.3 | | |
| 67 | G | 35.3 | Very low | 38.3 | Very low | 72 Ų | 72 | 140.4 Ų | 140.4 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | trans | -116.8 | 85.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 68 | D | 38.5 | Very low | 37.1 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -65.5 | 138.5 | 176.2 | -92.5 | -67.6 | 0 | 0 | 0 | 113.3 | | |
| 69 | C | 38.5 | Very low | 36.3 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | trans | -113.8 | 84 | 179.2 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 70 | M | 42.3 | Very low | 36.3 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | 43 | 103.5 | 149.6 | -81.1 | -73.3 | -162.4 | 0 | 0 | 119 | | |
| 71 | R | 34.2 | Very low | 36.3 | Very low | 237 Ų | 237 | 142.3 Ų | 142.3 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | | | | -161.8 | 123.6 | 126 | -114.7 | 171.2 | -176.2 | -84.1 | -2.2 | 113.3 | | |
| 72 | Q | 35.9 | Very low | 36.2 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | | | trans | -110.9 | 141.2 | 166.9 | -68.5 | 176.8 | -19.8 | 0 | 0 | 109.5 | | |
| 73 | S | 31.1 | Very low | 36 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | 179.4 | 76.3 | 143.8 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 74 | S | 32.9 | Very low | 35.8 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | -167.9 | 76.1 | 154.9 | 33 | 0 | 0 | 0 | 0 | 112.7 | | |
| 75 | S | 35 | Very low | 35.6 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | trans | -59.8 | 157.9 | 145.2 | 38.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 76 | Q | 37.3 | Very low | 35.3 | Very low | 177 Ų | 177 | 129.7 Ų | 129.7 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | | | cis | -166.5 | 171.3 | 1.7 | -115.5 | 170.6 | -55.4 | 0 | 0 | 105.8 | | |
| 77 | S | 33.2 | Very low | 35 | Very low | 75 Ų | 75 | 127.6 Ų | 127.6 | 52% | 0.524 | 74% | 0.744 | S | S | . | * | | | cis | -164.7 | 158.4 | -3.9 | -136.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 78 | N | 33.6 | Very low | 34.9 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | | | trans | 65.8 | 150 | 145.5 | -60.7 | 13.4 | 0 | 0 | 0 | 119 | | |
| 79 | N | 34.4 | Very low | 34.7 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | | | cis | -161.1 | 163.2 | -12.8 | -116.3 | -0.4 | 0 | 0 | 0 | 111.8 | | |
| 80 | N | 35.4 | Very low | 34.4 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | trans | 56.8 | 142.8 | 151.3 | -60.1 | -6.2 | 0 | 0 | 0 | 119.4 | | |
| 81 | N | 35.3 | Very low | 33.8 | Very low | 139 Ų | 139 | 120.5 Ų | 120.5 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | | | cis | 166.5 | 157.1 | -5.5 | -177.6 | 24 | 0 | 0 | 0 | 104.2 | | |
| 82 | S | 33.9 | Very low | 33.8 | Very low | 85 Ų | 85 | 115 Ų | 115 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | | | trans | 60.2 | 124 | 164.2 | -63.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 83 | S | 35.3 | Very low | 33.8 | Very low | 105 Ų | 105 | 112 Ų | 112 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | | 55.4 | 106 | 59 | 80.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 84 | N | 35.1 | Very low | 34 | Very low | 149 Ų | 149 | 116.1 Ų | 116.1 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | | -170.6 | 167 | 79.2 | -155.1 | 6.2 | 0 | 0 | 0 | 114 | | |
| 85 | S | 32.9 | Very low | 33.9 | Very low | 82 Ų | 82 | 114.4 Ų | 114.4 | 57% | 0.573 | 74% | 0.735 | S | S | * | * | | | trans | 39.2 | 123.7 | 144.3 | 64.8 | 0 | 0 | 0 | 0 | 124 | | |
| 86 | S | 32.8 | Very low | 33.9 | Very low | 101 Ų | 101 | 117.5 Ų | 117.5 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | | 78 | 122.6 | 122.7 | 69.7 | 0 | 0 | 0 | 0 | 124.4 | | |
| 87 | S | 32.7 | Very low | 33.6 | Very low | 105 Ų | 105 | 113.4 Ų | 113.4 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | | 85.2 | 140.6 | 123.4 | 62.9 | 0 | 0 | 0 | 0 | 124.6 | | |
| 88 | S | 32.4 | Very low | 33.6 | Very low | 97 Ų | 97 | 118 Ų | 118 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | trans | 67.7 | 90.3 | 141.7 | 57.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 89 | S | 34.9 | Very low | 33.8 | Very low | 120 Ų | 120 | 117 Ų | 117 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | | | | 44.1 | 125.2 | 112.7 | 63.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 90 | G | 31.2 | Very low | 33.6 | Very low | 86 Ų | 86 | 119 Ų | 119 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | | | trans | 129.1 | 138.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 91 | G | 31.2 | Very low | 33.4 | Very low | 67 Ų | 67 | 120.4 Ų | 120.4 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | cis | 168.2 | 142 | -8.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 92 | S | 33.7 | Very low | 33.3 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | 58.3 | 132.2 | 179.1 | 49.1 | 0 | 0 | 0 | 0 | 117 | | |
| 93 | S | 36.3 | Very low | 33.5 | Very low | 118 Ų | 118 | 124 Ų | 124 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | | -162.5 | 168 | 75 | -69.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 94 | Q | 33.6 | Very low | 34.2 | Very low | 193 Ų | 193 | 124.5 Ų | 124.5 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | | | trans | -56.6 | 166.8 | 173.4 | -66.8 | 167.3 | 8.6 | 0 | 0 | 114.4 | | |
| 95 | A | 30.9 | Very low | 35.1 | Very low | 87 Ų | 87 | 122.5 Ų | 122.5 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | | | cis | -173.9 | 160.3 | -22.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 96 | N | 35.1 | Very low | 35 | Very low | 167 Ų | 167 | 126.1 Ų | 126.1 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | trans | -164 | 170 | 145.4 | -124.2 | -33.9 | 0 | 0 | 0 | 112.5 | | |
| 97 | S | 32.6 | Very low | 35 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | trans | -123.3 | 151.9 | -155.6 | -55.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 98 | I | 32.9 | Very low | 35 | Very low | 170 Ų | 170 | 127 Ų | 127 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | 69 | 128 | 154.8 | -64.7 | 157.1 | 0 | 0 | 0 | 114.1 | | |
| 99 | S | 37.1 | Very low | 34.9 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | | -144.9 | 170.7 | 53.4 | 62.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 100 | E | 30.4 | Very low | 35 | Very low | 159 Ų | 159 | 127 Ų | 127 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | trans | -51.6 | 170.8 | 168.9 | -70.9 | -179.7 | 66.6 | 0 | 0 | 115.2 | | |
| 101 | Q | 32 | Very low | 35.6 | Very low | 172 Ų | 172 | 128.3 Ų | 128.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | cis | -152.9 | 173.8 | 28.6 | -151.1 | 152.8 | 61.1 | 0 | 0 | 115.4 | | |
| 102 | Q | 33.1 | Very low | 35.5 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -112.4 | 157.6 | -163.9 | -177.3 | 174.9 | -24.3 | 0 | 0 | 114.7 | | |
| 103 | V | 36.8 | Very low | 35.4 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | | | trans | -65.4 | 155.4 | 175.3 | -147.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 104 | P | 50.8 | Low | 35 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | | | | -135 | 164.3 | 128.5 | 38.5 | -29.5 | 0 | 0 | 0 | 115.1 | | |
| 105 | P | 54.3 | Low | 34.9 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | trans | -120 | -168 | -170.9 | 36.2 | -17.7 | 0 | 0 | 0 | 114.7 | | |
| 106 | L | 30.4 | Very low | 34.8 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | 77.5 | 130 | 171.8 | -46.1 | 176.6 | 0 | 0 | 0 | 115.2 | | |
| 107 | S | 32.2 | Very low | 34.7 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | | -169.8 | 167.7 | 69.6 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 108 | A | 32.8 | Very low | 34.7 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | -111.1 | 144.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 109 | A | 31.8 | Very low | 34.9 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | | | trans | -156.2 | 139.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 110 | S | 36 | Very low | 34.7 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -135.3 | 133.6 | 155 | -69.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 111 | P | 44.4 | Very low | 34.8 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -132 | 127.1 | 130.6 | 13.1 | 7.6 | 0 | 0 | 0 | 110.1 | | |
| 112 | S | 29.6 | Very low | 34.8 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | | 85.8 | 119.6 | 80.4 | -62.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 113 | S | 31.2 | Very low | 34.8 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | 32 | 123.9 | 146.8 | 60.4 | 0 | 0 | 0 | 0 | 120 | | |
| 114 | N | 27.9 | Very low | 35.2 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | | | | -145.4 | 145.3 | 127.1 | -123.7 | -30.8 | 0 | 0 | 0 | 112.7 | | |
| 115 | S | 31.1 | Very low | 34.4 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | -127.1 | 132.7 | -177.3 | 58 | 0 | 0 | 0 | 0 | 110.3 | | |
| 116 | S | 29 | Very low | 33.4 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | | | trans | -142.8 | 104.3 | 169.7 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 117 | T | 32.8 | Very low | 33.8 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | -74.9 | 143.8 | 176.1 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 118 | S | 33.2 | Very low | 34 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -145.4 | 122.1 | 149.4 | -80.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 119 | Q | 36.7 | Very low | 34.3 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 65% | 0.654 | 79% | 0.791 | S | S | * | * | | | | 71 | 129.7 | 65.4 | -72.5 | -159.5 | 75.3 | 0 | 0 | 112.1 | | |
| 120 | K | 31.7 | Very low | 34.4 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | cis | -170.5 | 174 | 3.8 | -150.8 | 174.3 | -155 | 151.2 | 0 | 111.7 | | |
| 121 | K | 33 | Very low | 34.9 | Very low | 188 Ų | 188 | 127.7 Ų | 127.7 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | | | trans | 87.5 | 117.2 | 165 | -53.8 | 170 | -173.5 | 178.9 | 0 | 114.4 | | |
| 122 | K | 32.2 | Very low | 34.9 | Very low | 196 Ų | 196 | 127 Ų | 127 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | | | | 75.2 | 102.4 | 62.7 | -81.4 | -162.8 | 170.5 | -170.8 | 0 | 114.3 | | |
| 123 | S | 32.5 | Very low | 35.4 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | | 41.5 | 146.4 | 122.3 | -48 | 0 | 0 | 0 | 0 | 120.5 | | |
| 124 | P | 45.2 | Very low | 36.2 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | cis | -142.7 | -173.9 | 34.4 | 43.2 | -23.8 | 0 | 0 | 0 | 118 | | |
| 125 | S | 34.9 | Very low | 37.3 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | | | trans | -18.3 | 139.9 | 166.4 | 53.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 126 | N | 33.5 | Very low | 38.3 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | | -163.4 | 164.7 | 101.8 | -108.3 | -11.5 | 0 | 0 | 0 | 114.7 | | |
| 127 | S | 39.1 | Very low | 39.6 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -77.4 | 141.1 | -176.5 | -50.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 128 | A | 36.1 | Very low | 40.9 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -149.9 | 130.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 129 | S | 39.2 | Very low | 42.2 | Very low | 130 Ų | 130 | 133 Ų | 133 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | trans | -80.8 | 134.4 | 172.4 | 42.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 130 | G | 34.1 | Very low | 43.9 | Very low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | | | trans | -163.7 | 147 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 131 | P | 46.3 | Very low | 46 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -78 | 160.5 | -164.9 | 30.8 | -36.3 | 0 | 0 | 0 | 114.2 | T133 | P131-T133 PolarHBondContact O-N 3.3Š|
| 132 | A | 43.6 | Very low | 48 | Very low | 100 Ų | 100 | 123.8 Ų | 123.8 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 129.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 133 | T | 41.1 | Very low | 50.1 | Low | 129 Ų | 129 | 123.3 Ų | 123.3 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 133.7 | 172.5 | 47.9 | 0 | 0 | 0 | 0 | 110.2 | P131 A135 | P131-T133 PolarHBondContact O-N 3.3Å; T133-A135 PolarHBondContact O-N 3.38Å |
| 134 | P | 46.4 | Very low | 52.3 | Low | 124 Ų | 124 | 120.9 Ų | 120.9 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | | | trans | -69.5 | 106.8 | 176.4 | 27.5 | -32.9 | 0 | 0 | 0 | 109.4 | L136 | P134-L136 PolarHBondContact O-N 2.68Š|
| 135 | A | 52.3 | Low | 53.6 | Low | 87 Ų | 87 | 121 Ų | 121 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | | | trans | -57.2 | 122.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | T133 T137 | T133-A135 PolarHBondContact O-N 3.38Å; A135-T137 PolarHBondContact O-N 2.72Å |
| 136 | L | 51.5 | Low | 55 | Low | 166 Ų | 166 | 121.2 Ų | 121.2 | 87% | 0.869 | 71% | 0.708 | S | S | * | * | | | trans | -53 | 102 | -174.3 | -82.4 | 164.4 | 0 | 0 | 0 | 111.8 | P134 K138 | P134-L136 PolarHBondContact O-N 2.68Å; L136-K138 PolarHBondContact O-N 3.28Å |
| 137 | T | 55.6 | Low | 56.4 | Low | 127 Ų | 127 | 119 Ų | 119 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | | | trans | -73.4 | 70.1 | 176.6 | 41.1 | 0 | 0 | 0 | 0 | 110.3 | A135 Q139 | A135-T137 PolarHBondContact O-N 2.72Å; T137-Q139 PolarHBondContact O-N 3.16Å |
| 138 | K | 60.6 | Low | 57.4 | Low | 185 Ų | 185 | 121.5 Ų | 121.5 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | | | trans | -44.1 | 118.4 | 167.3 | -70 | -174.1 | 177.4 | -176.4 | 0 | 108.1 | L136 I140 | L136-K138 PolarHBondContact O-N 3.28Å; K138-I140 VanDerWaalsContact O-CG1 3.27Å; K138-I140 WeakPolarHBondContact O-CG1 3.25Å; K138-I140 PolarHBondContact O-N 3.41Å |
| 139 | Q | 61.7 | Low | 58.5 | Low | 154 Ų | 154 | 123.7 Ų | 123.7 | 72% | 0.72 | 68% | 0.684 | S | S | * | * | | | trans | -49.4 | 95.7 | -163.5 | -70.9 | -70.1 | -12.7 | 0 | 0 | 112.8 | T137 F141 | T137-Q139 PolarHBondContact O-N 3.16Å; Q139-F141 VanDerWaalsContact C-N 3.3Å; Q139-F141 WeakPolarHBondContact O-CD2 3.48Å; Q139-F141 PolarHBondContact O-N 3.21Å |
| 140 | I | 71.2 | Confident | 59.1 | Low | 78 Ų | 78 | 122.9 Ų | 122.9 | 40% | 0.4 | 67% | 0.669 | S | S | . | * | | | trans | -80.9 | 86.8 | 175 | -50.3 | -174.2 | 0 | 0 | 0 | 106.9 | K138 M144 K145 | K138-I140 VanDerWaalsContact O-CG1 3.27Å; K138-I140 WeakPolarHBondContact O-CG1 3.25Å; K138-I140 PolarHBondContact O-N 3.41Å; I140-M144 HydrophobicContact CG2-CB 3.88Å; I140-M144 HydrophobicContact CG2-CG 4.16Å; I140-M144 HydrophobicContact CG2-SD 4.32Å; I140-K145 HydrophobicContact CB-CG 4.48Å; I140-K145 HydrophobicContact CG2-CG 3.67Å; I140-K145 WeakPolarHBondContact O-CE 3.48Å |
| 141 | F | 76.4 | Confident | 60.1 | Low | 115 Ų | 115 | 124.7 Ų | 124.7 | 50% | 0.504 | 67% | 0.672 | S | S | . | * | | | trans | -46.1 | 144.2 | 173 | -62.8 | -80.7 | 0 | 0 | 0 | 110.8 | Q139 W143 M144 | Q139-F141 VanDerWaalsContact C-N 3.3Å; Q139-F141 WeakPolarHBondContact O-CD2 3.48Å; Q139-F141 PolarHBondContact O-N 3.21Å; F141-W143 VanDerWaalsContact C-N 3.27Å; F141-W143 HydrophobicContact CB-CG 4.46Å; F141-W143 AromaticContact CG-NE1 3.97Å; F141-W143 PolarHBondContact O-N 3.41Å; F141-W143 VanDerWaalsContact O-N 3.09Å; F141-M144 WeakPolarHBondContact O-CB 3.36Å; F141-M144 PolarHBondContact O-N 2.72Å |
| 142 | P | 75.3 | Confident | 60.4 | Low | 104 Ų | 104 | 127.8 Ų | 127.8 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -49.7 | -43 | -172.4 | -31.2 | 36.2 | 0 | 0 | 0 | 114.6 | M144 K145 | P142-M144 PolarHBondContact O-N 3.47Å; P142-M144 VanDerWaalsContact O-N 3.14Å; P142-K145 WeakPolarHBondContact O-CB 3.35Å; P142-K145 PolarHBondContact O-N 2.83Å; P142-K145 VanDerWaalsContact O-N 3.13Å |
| 143 | W | 76.1 | Confident | 60.8 | Low | 186 Ų | 186 | 130.3 Ų | 130.3 | 71% | 0.705 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -59.9 | -23 | 177.8 | 69.2 | -98.8 | 0 | 0 | 0 | 114.7 | F141 | F141-W143 VanDerWaalsContact C-N 3.27Å; F141-W143 HydrophobicContact CB-CG 4.46Å; F141-W143 AromaticContact CG-NE1 3.97Å; F141-W143 PolarHBondContact O-N 3.41Å; F141-W143 VanDerWaalsContact O-N 3.09Å |
| 144 | M | 77.6 | Confident | 61.1 | Low | 63 Ų | 63 | 133.6 Ų | 133.6 | 31% | 0.31 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -88 | -13.9 | -178.4 | -165.5 | -175.7 | -65.7 | 0 | 0 | 112.7 | I140 F141 P142 | I140-M144 HydrophobicContact CG2-CB 3.88Å; I140-M144 HydrophobicContact CG2-CG 4.16Å; I140-M144 HydrophobicContact CG2-SD 4.32Å; F141-M144 WeakPolarHBondContact O-CB 3.36Å; F141-M144 PolarHBondContact O-N 2.72Å; P142-M144 PolarHBondContact O-N 3.47Å; P142-M144 VanDerWaalsContact O-N 3.14Å |
| 145 | K | 72.3 | Confident | 61 | Low | 120 Ų | 120 | 132.8 Ų | 132.8 | 52% | 0.522 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -71.8 | -45.6 | -178.2 | -64 | -176 | 178.7 | -178.6 | 0 | 112.3 | I140 P142 T147 R148 | I140-K145 HydrophobicContact CB-CG 4.48Å; I140-K145 HydrophobicContact CG2-CG 3.67Å; I140-K145 WeakPolarHBondContact O-CE 3.48Å; P142-K145 WeakPolarHBondContact O-CB 3.35Å; P142-K145 PolarHBondContact O-N 2.83Å; P142-K145 VanDerWaalsContact O-N 3.13Å; K145-T147 VanDerWaalsContact C-N 3.29Å; K145-T147 PolarHBondContact O-N 3.19Å; K145-R148 PolarHBondContact O-N 3.49Å |
| 146 | E | 64.3 | Low | 60.8 | Low | 101 Ų | 101 | 135.4 Ų | 135.4 | 47% | 0.472 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -59.4 | -32.8 | -175 | -91.6 | -170.2 | 82.6 | 0 | 0 | 114.6 | R148 K183 | E146-R148 PolarHBondContact O-N 2.73Å; E146-K183 WeakPolarHBondContact OE1-CE 3.01Å; E146-K183 IonicContact OE1-NZ 3.72Å; E146-K183 PolarHBondContact OE1-NZ 3.19Å |
| 147 | T | 63.1 | Low | 60.3 | Low | 112 Ų | 112 | 135.5 Ų | 135.5 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.1 | -26.4 | 179.4 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | K145 | K145-T147 VanDerWaalsContact C-N 3.29Å; K145-T147 PolarHBondContact O-N 3.19Å |
| 148 | R | 60.6 | Low | 59.6 | Low | 174 Ų | 174 | 136.9 Ų | 136.9 | 66% | 0.657 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -85.7 | -34.7 | -174.5 | -70.8 | -176.6 | 172.4 | -90.2 | 0 | 113.7 | K145 E146 | K145-R148 PolarHBondContact O-N 3.49Å; E146-R148 PolarHBondContact O-N 2.73Å |
| 149 | Q | 59.3 | Low | 58.7 | Low | 147 Ų | 147 | 134 Ų | 134 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -67.9 | -37.2 | -179.2 | -74.7 | 173.5 | -70.1 | 0 | 0 | 112.6 | S151 K152 | Q149-S151 PolarHBondContact O-N 2.91Å; Q149-K152 PolarHBondContact O-N 2.95Å |
| 150 | N | 52.1 | Low | 57.5 | Low | 112 Ų | 112 | 131.5 Ų | 131.5 | 60% | 0.599 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -15.3 | -177.5 | -163.2 | 41 | 0 | 0 | 0 | 114.3 | K152 | N150-K152 VanDerWaalsContact C-N 3.32Å; N150-K152 PolarHBondContact O-N 3.11Å |
| 151 | S | 55.4 | Low | 55.9 | Low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -22.1 | -180 | -157.6 | 0 | 0 | 0 | 0 | 113.7 | Q149 | Q149-S151 PolarHBondContact O-N 2.91Š|
| 152 | K | 51.5 | Low | 54.1 | Low | 196 Ų | 196 | 132.5 Ų | 132.5 | 85% | 0.852 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -90.3 | -15.8 | -176.9 | -84.3 | -168 | 170.4 | -170.7 | 0 | 115.2 | Q149 N150 | Q149-K152 PolarHBondContact O-N 2.95Å; N150-K152 VanDerWaalsContact C-N 3.32Å; N150-K152 PolarHBondContact O-N 3.11Å |
| 153 | Q | 52.8 | Low | 52.3 | Low | 154 Ų | 154 | 131.3 Ų | 131.3 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -90.3 | -5 | -175.5 | -71 | -177.2 | -58 | 0 | 0 | 114.3 | S155 | Q153-S155 PolarHBondContact O-N 3.34Š|
| 154 | K | 46.3 | Very low | 50.6 | Low | 197 Ų | 197 | 133.7 Ų | 133.7 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 31 | -179.1 | -165.6 | 45.9 | 178.4 | 172.5 | 0 | 113.8 | | |
| 155 | S | 45.4 | Very low | 48.8 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.8 | 24.7 | -179.8 | -165.8 | 0 | 0 | 0 | 0 | 114.2 | Q153 | Q153-S155 PolarHBondContact O-N 3.34Š|
| 156 | N | 48.1 | Very low | 48.1 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -155.6 | 127.7 | 156.6 | -126.1 | -5.4 | 0 | 0 | 0 | 109.7 | | |
| 157 | N | 40.1 | Very low | 46.9 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | | | trans | 172.1 | 82.9 | 162.2 | -95.8 | -10.3 | 0 | 0 | 0 | 107.4 | | |
| 158 | N | 41.6 | Very low | 46 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | -99.7 | 161.5 | 168.2 | -131.7 | 31.9 | 0 | 0 | 0 | 109.7 | | |
| 159 | C | 41.8 | Very low | 44.9 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | | | trans | -68.5 | 134.7 | -173.2 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 160 | A | 36.4 | Very low | 44.1 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | | | trans | -148.8 | 126 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 161 | A | 38.1 | Very low | 44 | Very low | 105 Ų | 105 | 138 Ų | 138 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | | | trans | -153.4 | 155.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 162 | A | 38.8 | Very low | 43.3 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | | | trans | 68.9 | 91.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 163 | G | 36.5 | Very low | 43.4 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | | | trans | -150.3 | 133.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 164 | R | 41.5 | Very low | 43.1 | Very low | 236 Ų | 236 | 136.9 Ų | 136.9 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | | | trans | -134.1 | 131.1 | -171.9 | -71.3 | -177.7 | 177.1 | -177 | -1 | 110.8 | | |
| 165 | D | 39.4 | Very low | 43.3 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | | | trans | -143.2 | 135.6 | 153.3 | -80.4 | -62.2 | 0 | 0 | 0 | 108.4 | | |
| 166 | P | 56.8 | Low | 43.5 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -116 | 118.6 | 171.8 | 35.1 | -22.1 | 0 | 0 | 0 | 111.6 | | |
| 167 | D | 40.2 | Very low | 44.2 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | | | trans | -136.5 | 163.5 | 164.5 | -166.5 | 25.6 | 0 | 0 | 0 | 111 | | |
| 168 | G | 42.5 | Very low | 45.2 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | | | trans | -71.1 | 160.4 | -155.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 169 | G | 38.6 | Very low | 45.5 | Very low | 85 Ų | 85 | 126.9 Ų | 126.9 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | | | trans | 179.3 | 125.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 170 | E | 43.2 | Very low | 46.4 | Very low | 177 Ų | 177 | 128 Ų | 128 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | | | trans | -96.7 | 167 | -178.6 | -144.5 | -162.6 | 170.7 | 0 | 0 | 112.2 | | |
| 171 | V | 48.3 | Very low | 47.5 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | | | trans | 48.6 | 115.3 | 163.5 | -65.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 172 | S | 41.9 | Very low | 48.6 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | -169.2 | 121.7 | 131.2 | -83.9 | 0 | 0 | 0 | 0 | 111.9 | E174 | S172-E174 PolarHBondContact O-N 3.07Š|
| 173 | D | 52.1 | Low | 50.3 | Low | 172 Ų | 172 | 128.4 Ų | 128.4 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | | | trans | -74.7 | 97.3 | 164.9 | -93.3 | -82.4 | 0 | 0 | 0 | 110.2 | | |
| 174 | E | 47.5 | Very low | 52.4 | Low | 139 Ų | 139 | 135.8 Ų | 135.8 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | trans | -120.6 | 84 | 166.7 | -149 | -64.8 | 74.2 | 0 | 0 | 109.2 | S172 S176 | S172-E174 PolarHBondContact O-N 3.07Å; E174-S176 PolarHBondContact O-N 3.13Å; E174-S176 WeakPolarHBondContact OE1-CA 3.36Å; E174-S176 PolarHBondContact OE1-N 2.92Å; E174-S176 PolarHBondContact OE1-OG 3.37Å; E174-S176 VanDerWaalsContact OE2-CB 3.25Å; E174-S176 WeakPolarHBondContact OE2-CB 3.37Å; E174-S176 PolarHBondContact OE2-OG 2.96Å |
| 175 | K | 51 | Low | 54.6 | Low | 191 Ų | 191 | 130.8 Ų | 130.8 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | | | trans | -83 | 53.1 | -178.9 | -166.6 | 159.1 | 179.5 | 169.9 | 0 | 112.4 | P177 | K175-P177 WeakPolarHBondContact O-CD 3.38Š|
| 176 | S | 49.8 | Very low | 57.1 | Low | 78 Ų | 78 | 134.1 Ų | 134.1 | 55% | 0.545 | 78% | 0.777 | S | S | . | * | P | Polyproline II helix | trans | -51.7 | 120.5 | 170.6 | -105.4 | 0 | 0 | 0 | 0 | 110.8 | E174 | E174-S176 PolarHBondContact O-N 3.13Å; E174-S176 WeakPolarHBondContact OE1-CA 3.36Å; E174-S176 PolarHBondContact OE1-N 2.92Å; E174-S176 PolarHBondContact OE1-OG 3.37Å; E174-S176 VanDerWaalsContact OE2-CB 3.25Å; E174-S176 WeakPolarHBondContact OE2-CB 3.37Å; E174-S176 PolarHBondContact OE2-OG 2.96Å |
| 177 | P | 61.3 | Low | 58.8 | Low | 111 Ų | 111 | 134 Ų | 134 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 135.1 | 175.1 | -21.6 | 33.4 | 0 | 0 | 0 | 110.8 | K175 G179 | K175-P177 WeakPolarHBondContact O-CD 3.38Å; P177-G179 PolarHBondContact O-N 3.35Å; P177-G179 VanDerWaalsContact O-N 3.09Å |
| 178 | P | 61 | Low | 61.4 | Low | 131 Ų | 131 | 129.8 Ų | 129.8 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 118.2 | 177 | 24.3 | -33.1 | 0 | 0 | 0 | 110.2 | | |
| 179 | G | 47.9 | Very low | 64.1 | Low | 51 Ų | 51 | 129.6 Ų | 129.6 | 53% | 0.526 | 74% | 0.741 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 157.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P177 A181 | P177-G179 PolarHBondContact O-N 3.35Å; P177-G179 VanDerWaalsContact O-N 3.09Å; G179-A181 PolarHBondContact O-N 3Å |
| 180 | P | 61.8 | Low | 66.9 | Low | 145 Ų | 145 | 129.2 Ų | 129.2 | 94% | 0.942 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 55.2 | -163.5 | 33.3 | -38.8 | 0 | 0 | 0 | 114.5 | | |
| 181 | A | 60.1 | Low | 69.5 | Low | 69 Ų | 69 | 125.3 Ų | 125.3 | 57% | 0.57 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.9 | 15.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | G179 K183 | G179-A181 PolarHBondContact O-N 3Å; A181-K183 PolarHBondContact O-N 2.8Å |
| 182 | S | 61.4 | Low | 71.9 | Confident | 125 Ų | 125 | 123 Ų | 123 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | | | trans | -71.2 | 73 | 176.3 | -165.9 | 0 | 0 | 0 | 0 | 112.4 | R184 | S182-R184 PolarHBondContact O-N 3.38Š|
| 183 | K | 74.1 | Confident | 74.6 | Confident | 132 Ų | 132 | 118.8 Ų | 118.8 | 57% | 0.574 | 67% | 0.674 | S | S | * | * | | | trans | -70.5 | 96.3 | 178.8 | -74 | 166.4 | -177.6 | 161.5 | 0 | 109.1 | E146 A181 V185 | E146-K183 WeakPolarHBondContact OE1-CE 3.01Å; E146-K183 IonicContact OE1-NZ 3.72Å; E146-K183 PolarHBondContact OE1-NZ 3.19Å; A181-K183 PolarHBondContact O-N 2.8Å; K183-V185 PolarHBondContact O-N 2.93Å |
| 184 | R | 80.8 | Confident | 76.8 | Confident | 234 Ų | 234 | 113.8 Ų | 113.8 | 88% | 0.883 | 65% | 0.647 | S | S | * | * | | | trans | -36.5 | 110.5 | -178.2 | -167.1 | -175.1 | -55.9 | -159.4 | 2.5 | 112 | S182 R186 | S182-R184 PolarHBondContact O-N 3.38Å; R184-R186 PolarHBondContact O-N 3.14Å |
| 185 | V | 86.9 | Confident | 79.3 | Confident | 131 Ų | 131 | 111.2 Ų | 111.2 | 79% | 0.794 | 64% | 0.641 | S | S | * | * | | | trans | -56.5 | 136.9 | -176.4 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | K183 T187 | K183-V185 PolarHBondContact O-N 2.93Å; V185-T187 PolarHBondContact O-N 3.46Å |
| 186 | R | 91 | Very high | 81.5 | Confident | 237 Ų | 237 | 105 Ų | 105 | 89% | 0.894 | 62% | 0.615 | S | S | * | * | | | trans | -87.2 | 103.5 | 177.9 | -67.7 | -174.3 | 177.9 | -148.8 | 1.2 | 110.1 | R184 | R184-R186 PolarHBondContact O-N 3.14Š|
| 187 | T | 92.6 | Very high | 83.8 | Confident | 123 Ų | 123 | 101.3 Ų | 101.3 | 76% | 0.755 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 130.8 | 167.4 | -38.2 | 0 | 0 | 0 | 0 | 110 | V185 | V185-T187 PolarHBondContact O-N 3.46Š|
| 188 | A | 95.9 | Very high | 85.6 | Confident | 86 Ų | 86 | 99 Ų | 99 | 71% | 0.711 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -88 | 155 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 189 | Y | 98.3 | Very high | 87.4 | Confident | 67 Ų | 67 | 98.2 Ų | 98.2 | 26% | 0.263 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -84 | 148.2 | 169.6 | -56.4 | -64.5 | 0 | 0 | 0 | 110 | L194 L221 Q225 W229 | Y189-L194 HydrophobicContact CD2-CD2 4.26Å; Y189-L221 HydrophobicContact CD1-CD1 3.77Å; Y189-L221 HydrophobicContact CD1-CD2 3.81Å; Y189-L221 HydrophobicContact CD1-CG 4.48Å; Y189-L221 HydrophobicContact CE1-CD1 3.82Å; Y189-L221 HydrophobicContact CE1-CD2 3.78Å; Y189-L221 HydrophobicContact CE1-CG 4.45Å; Y189-Q225 HydrophobicContact CE1-CB 4.19Å; Y189-Q225 HydrophobicContact CE1-CG 4.36Å; Y189-Q225 WeakPolarHBondContact OH-CB 3.5Å; Y189-W229 AromaticContact CD2-CD1 3.9Å; Y189-W229 AromaticContact CE2-CD1 3.74Å |
| 190 | T | 98.5 | Very high | 89.8 | Confident | 77 Ų | 77 | 96.3 Ų | 96.3 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 161.4 | 176 | 73 | 0 | 0 | 0 | 0 | 111.3 | A192 Q193 L194 | T190-A192 VanDerWaalsContact C-N 3.31Å; T190-A192 PolarHBondContact O-N 3.37Å; T190-Q193 PolarHBondContact O-N 3.29Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.36Å; T190-Q193 PolarHBondContact OG1-N 2.94Å; T190-L194 WeakPolarHBondContact O-CG 3.1Å; T190-L194 PolarHBondContact O-N 2.84Å |
| 191 | S | 98.3 | Very high | 91.6 | Very high | 96 Ų | 96 | 89.4 Ų | 89.4 | 67% | 0.671 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56.6 | -45.2 | 176.4 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | Q193 L194 V195 | S191-Q193 PolarHBondContact O-N 3.13Å; S191-L194 WeakPolarHBondContact O-CB 3.44Å; S191-L194 PolarHBondContact O-N 3.41Å; S191-L194 VanDerWaalsContact O-N 3.14Å; S191-V195 WeakPolarHBondContact O-CG2 3.32Å; S191-V195 PolarHBondContact O-N 3.1Å |
| 192 | A | 98.2 | Very high | 93.4 | Very high | 69 Ų | 69 | 91.3 Ų | 91.3 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T190 L194 V195 E196 | T190-A192 VanDerWaalsContact C-N 3.31Å; T190-A192 PolarHBondContact O-N 3.37Å; A192-L194 VanDerWaalsContact C-N 3.3Å; A192-L194 PolarHBondContact O-N 2.89Å; A192-V195 PolarHBondContact O-N 3.38Å; A192-E196 PolarHBondContact O-N 3.08Å; A192-E196 VanDerWaalsContact O-N 3.16Å |
| 193 | Q | 98.5 | Very high | 95.1 | Very high | 30 Ų | 30 | 93.4 Ų | 93.4 | 14% | 0.14 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 173.6 | -74.9 | 173.2 | -24 | 0 | 0 | 111.5 | T190 S191 L197 L219 L221 | T190-Q193 PolarHBondContact O-N 3.29Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.36Å; T190-Q193 PolarHBondContact OG1-N 2.94Å; S191-Q193 PolarHBondContact O-N 3.13Å; Q193-L197 WeakPolarHBondContact O-CB 3.44Å; Q193-L197 WeakPolarHBondContact O-CD1 3.32Å; Q193-L197 WeakPolarHBondContact O-CG 3.49Å; Q193-L197 PolarHBondContact O-N 2.77Å; Q193-L197 VanDerWaalsContact O-N 3.08Å; Q193-L219 HydrophobicContact CG-CB 4.35Å; Q193-L219 PolarHBondContact NE2-O 3.47Å; Q193-L221 HydrophobicContact CG-CD1 4.45Å |
| 194 | L | 98.5 | Very high | 96.2 | Very high | 68 Ų | 68 | 90.4 Ų | 90.4 | 36% | 0.356 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 177.3 | -67.8 | 174.5 | 0 | 0 | 0 | 112.2 | Y189 T190 S191 A192 L197 E198 | Y189-L194 HydrophobicContact CD2-CD2 4.26Å; T190-L194 WeakPolarHBondContact O-CG 3.1Å; T190-L194 PolarHBondContact O-N 2.84Å; S191-L194 WeakPolarHBondContact O-CB 3.44Å; S191-L194 PolarHBondContact O-N 3.41Å; S191-L194 VanDerWaalsContact O-N 3.14Å; A192-L194 VanDerWaalsContact C-N 3.3Å; A192-L194 PolarHBondContact O-N 2.89Å; L194-L197 PolarHBondContact O-N 3.1Å; L194-E198 WeakPolarHBondContact O-CB 3.07Å; L194-E198 WeakPolarHBondContact O-CG 3.39Å; L194-E198 PolarHBondContact O-N 3.01Å |
| 195 | V | 98.6 | Very high | 97.1 | Very high | 85 Ų | 85 | 82.7 Ų | 82.7 | 52% | 0.515 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 178.4 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | S191 A192 E198 K199 | S191-V195 WeakPolarHBondContact O-CG2 3.32Å; S191-V195 PolarHBondContact O-N 3.1Å; A192-V195 PolarHBondContact O-N 3.38Å; V195-E198 PolarHBondContact O-N 3.24Å; V195-K199 WeakPolarHBondContact O-CB 3.33Å; V195-K199 PolarHBondContact O-N 2.69Å |
| 196 | E | 98.5 | Very high | 97.6 | Very high | 60 Ų | 60 | 83.7 Ų | 83.7 | 28% | 0.28 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 178.6 | -72.5 | -64.8 | 131.2 | 0 | 0 | 112.4 | A192 K199 E200 L219 | A192-E196 PolarHBondContact O-N 3.08Å; A192-E196 VanDerWaalsContact O-N 3.16Å; E196-K199 PolarHBondContact O-N 3.42Å; E196-K199 WeakPolarHBondContact OE1-CD 3.43Å; E196-K199 IonicContact OE1-NZ 2.72Å; E196-K199 PolarHBondContact OE1-NZ 2.71Å; E196-K199 WeakPolarHBondContact OE2-CD 3.47Å; E196-K199 IonicContact OE2-NZ 2.68Å; E196-K199 PolarHBondContact OE2-NZ 3.22Å; E196-E200 PolarHBondContact O-N 2.73Å; E196-L219 HydrophobicContact CB-CD1 4.31Å; E196-L219 HydrophobicContact CB-CD2 3.63Å; E196-L219 HydrophobicContact CG-CD2 4.09Å |
| 197 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 172 | -73.1 | 167.4 | 0 | 0 | 0 | 112.6 | Q193 L194 F201 L219 L221 I226 W229 F230 | Q193-L197 WeakPolarHBondContact O-CB 3.44Å; Q193-L197 WeakPolarHBondContact O-CD1 3.32Å; Q193-L197 WeakPolarHBondContact O-CG 3.49Å; Q193-L197 PolarHBondContact O-N 2.77Å; Q193-L197 VanDerWaalsContact O-N 3.08Å; L194-L197 PolarHBondContact O-N 3.1Å; L197-F201 VanDerWaalsContact O-CB 3.24Å; L197-F201 WeakPolarHBondContact O-CB 3.38Å; L197-F201 PolarHBondContact O-N 3.3Å; L197-L219 HydrophobicContact CD1-CD1 4.39Å; L197-L219 HydrophobicContact CD2-CD1 3.84Å; L197-L219 HydrophobicContact CG-CD1 3.67Å; L197-L221 HydrophobicContact CD1-CD1 4.24Å; L197-I226 HydrophobicContact CD2-CD1 3.84Å; L197-W229 VanDerWaalsContact C-CH2 3.47Å; L197-W229 HydrophobicContact CB-CD2 3.95Å; L197-W229 HydrophobicContact CB-CE3 3.96Å; L197-W229 HydrophobicContact CB-CH2 3.69Å; L197-W229 HydrophobicContact CB-CZ2 3.66Å; L197-W229 HydrophobicContact CB-CZ3 3.83Å; L197-W229 HydrophobicContact CD1-CD2 3.95Å; L197-W229 HydrophobicContact CD1-CG 3.88Å; L197-W229 HydrophobicContact CD2-CD2 4.35Å; L197-W229 HydrophobicContact CD2-CE3 4.24Å; L197-W229 HydrophobicContact CG-CD2 4.31Å; L197-W229 HydrophobicContact CG-CE3 4.49Å; L197-W229 WeakPolarHBondContact O-CH2 3.47Å; L197-W229 WeakPolarHBondContact O-CZ3 3.14Å; L197-F230 HydrophobicContact CD2-CD2 4.46Å; L197-F230 HydrophobicContact CD2-CE2 3.92Å |
| 198 | E | 98.6 | Very high | 98.2 | Very high | 62 Ų | 62 | 70.9 Ų | 70.9 | 29% | 0.29 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 173.7 | -67.3 | -93.2 | 135.2 | 0 | 0 | 110.9 | L194 V195 F201 H202 W229 R233 | L194-E198 WeakPolarHBondContact O-CB 3.07Å; L194-E198 WeakPolarHBondContact O-CG 3.39Å; L194-E198 PolarHBondContact O-N 3.01Å; V195-E198 PolarHBondContact O-N 3.24Å; E198-F201 WeakPolarHBondContact O-CB 3.22Å; E198-F201 PolarHBondContact O-N 3.09Å; E198-H202 PolarHBondContact O-N 3.43Å; E198-H202 PolarHBondContact O-ND1 3.01Å; E198-W229 HydrophobicContact CG-CH2 4.3Å; E198-W229 HydrophobicContact CG-CZ2 4.28Å; E198-R233 VanDerWaalsContact CD-NH2 3.26Å; E198-R233 IonicContact OE1-CZ 3Å; E198-R233 VanDerWaalsContact OE1-CZ 3.23Å; E198-R233 IonicContact OE1-NE 3.93Å; E198-R233 PolarHBondContact OE1-NE 2.86Å; E198-R233 IonicContact OE1-NH2 2.73Å; E198-R233 PolarHBondContact OE1-NH2 3.27Å; E198-R233 IonicContact OE2-CZ 3.23Å; E198-R233 IonicContact OE2-NE 2.67Å; E198-R233 IonicContact OE2-NH2 3.75Å; E198-R233 PolarHBondContact OE2-NH2 2.99Å |
| 199 | K | 98.5 | Very high | 98.3 | Very high | 115 Ų | 115 | 73.5 Ų | 73.5 | 50% | 0.5 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.8 | -51.4 | 177.8 | 171.2 | -176.7 | 164.4 | -156 | 0 | 111.8 | V195 E196 F201 H202 F203 | V195-K199 WeakPolarHBondContact O-CB 3.33Å; V195-K199 PolarHBondContact O-N 2.69Å; E196-K199 PolarHBondContact O-N 3.42Å; E196-K199 WeakPolarHBondContact OE1-CD 3.43Å; E196-K199 IonicContact OE1-NZ 2.72Å; E196-K199 PolarHBondContact OE1-NZ 2.71Å; E196-K199 WeakPolarHBondContact OE2-CD 3.47Å; E196-K199 IonicContact OE2-NZ 2.68Å; E196-K199 PolarHBondContact OE2-NZ 3.22Å; K199-F201 VanDerWaalsContact C-N 3.31Å; K199-F201 PolarHBondContact O-N 3.49Å; K199-H202 PolarHBondContact O-N 2.94Å; K199-H202 VanDerWaalsContact O-N 3.13Å; K199-F203 PolarHBondContact O-N 2.75Å; K199-F203 VanDerWaalsContact O-N 3.1Å |
| 200 | E | 98.5 | Very high | 98.3 | Very high | 11 Ų | 11 | 74.2 Ų | 74.2 | 5% | 0.051 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 173.2 | -78.4 | -67.2 | 115.3 | 0 | 0 | 112.5 | E196 H202 F203 N204 R211 M215 F230 | E196-E200 PolarHBondContact O-N 2.73Å; E200-H202 VanDerWaalsContact C-N 3.3Å; E200-H202 PolarHBondContact O-N 2.82Å; E200-F203 PolarHBondContact O-N 2.67Å; E200-N204 PolarHBondContact O-N 2.83Å; E200-N204 VanDerWaalsContact O-O 3.1Å; E200-R211 VanDerWaalsContact CD-NH2 3.35Å; E200-R211 IonicContact OE1-CZ 3.59Å; E200-R211 IonicContact OE1-NE 3.16Å; E200-R211 IonicContact OE1-NH2 2.72Å; E200-R211 PolarHBondContact OE1-NH2 3.28Å; E200-R211 IonicContact OE2-CZ 3.51Å; E200-R211 IonicContact OE2-NE 3.92Å; E200-R211 PolarHBondContact OE2-NE 2.73Å; E200-R211 IonicContact OE2-NH2 3.41Å; E200-R211 PolarHBondContact OE2-NH2 3.4Å; E200-M215 HydrophobicContact CG-CE 3.7Å; E200-M215 HydrophobicContact CG-CG 3.94Å; E200-M215 HydrophobicContact CG-SD 3.57Å; E200-M215 VanDerWaalsContact CG-SD 3.57Å; E200-F230 HydrophobicContact CB-CZ 3.99Å |
| 201 | F | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 74.3 Ų | 74.3 | 0% | 0.004 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.5 | -34.5 | 175.9 | -177.4 | -103.7 | 0 | 0 | 0 | 112.4 | L197 E198 K199 N204 R205 W229 F230 R233 R234 Y237 | L197-F201 VanDerWaalsContact O-CB 3.24Å; L197-F201 WeakPolarHBondContact O-CB 3.38Å; L197-F201 PolarHBondContact O-N 3.3Å; E198-F201 WeakPolarHBondContact O-CB 3.22Å; E198-F201 PolarHBondContact O-N 3.09Å; K199-F201 VanDerWaalsContact C-N 3.31Å; K199-F201 PolarHBondContact O-N 3.49Å; F201-N204 CarbonylContact O-C 3.4Å; F201-R205 HydrophobicContact CE2-CB 4Å; F201-R205 HydrophobicContact CE2-CG 4.45Å; F201-R205 HydrophobicContact CZ-CB 4.45Å; F201-R205 VanDerWaalsContact CZ-CD 3.46Å; F201-R205 HydrophobicContact CZ-CG 4.49Å; F201-R205 WeakPolarHBondContact O-CD 3.45Å; F201-R205 PolarHBondContact O-NE 2.9Å; F201-W229 HydrophobicContact CB-CH2 4.31Å; F201-W229 HydrophobicContact CB-CZ3 4.01Å; F201-W229 HydrophobicContact CG-CZ3 4.44Å; F201-F230 HydrophobicContact CB-CE1 4.05Å; F201-F230 HydrophobicContact CB-CZ 4.17Å; F201-F230 AromaticContact CD2-CD1 3.95Å; F201-F230 HydrophobicContact CD2-CD1 3.95Å; F201-F230 AromaticContact CD2-CE1 3.84Å; F201-F230 HydrophobicContact CD2-CE1 3.84Å; F201-F230 HydrophobicContact CG-CE1 4.47Å; F201-R233 HydrophobicContact CD1-CG 3.67Å; F201-R233 HydrophobicContact CD2-CB 4.33Å; F201-R233 HydrophobicContact CD2-CG 3.99Å; F201-R233 HydrophobicContact CE1-CG 3.79Å; F201-R233 HydrophobicContact CE2-CB 4.35Å; F201-R233 HydrophobicContact CE2-CG 4.11Å; F201-R233 HydrophobicContact CG-CG 3.77Å; F201-R233 HydrophobicContact CZ-CG 4.01Å; F201-R234 HydrophobicContact CE2-CG 3.73Å; F201-R234 HydrophobicContact CZ-CG 4.29Å; F201-Y237 HydrophobicContact CE1-CD2 4.29Å; F201-Y237 HydrophobicContact CE1-CG 4.19Å; F201-Y237 HydrophobicContact CZ-CD1 4.48Å; F201-Y237 HydrophobicContact CZ-CG 4.12Å |
| 202 | H | 98.1 | Very high | 98.4 | Very high | 108 Ų | 108 | 72.2 Ų | 72.2 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 174.4 | -74.4 | 89.2 | 0 | 0 | 0 | 111.4 | E198 K199 E200 R205 | E198-H202 PolarHBondContact O-N 3.43Å; E198-H202 PolarHBondContact O-ND1 3.01Å; K199-H202 PolarHBondContact O-N 2.94Å; K199-H202 VanDerWaalsContact O-N 3.13Å; E200-H202 VanDerWaalsContact C-N 3.3Å; E200-H202 PolarHBondContact O-N 2.82Å; H202-R205 PolarHBondContact O-NH2 3.2Å; H202-R205 VanDerWaalsContact O-NH2 3.09Å |
| 203 | F | 98.1 | Very high | 98.4 | Very high | 169 Ų | 169 | 71.2 Ų | 71.2 | 74% | 0.741 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.4 | -50.5 | 176 | -179.2 | -106.1 | 0 | 0 | 0 | 112.8 | K199 E200 | K199-F203 PolarHBondContact O-N 2.75Å; K199-F203 VanDerWaalsContact O-N 3.1Å; E200-F203 PolarHBondContact O-N 2.67Å |
| 204 | N | 97.6 | Very high | 98.4 | Very high | 69 Ų | 69 | 73.5 Ų | 73.5 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | | | trans | -144.4 | 125 | 176.1 | -173.6 | -13 | 0 | 0 | 0 | 111.8 | E200 F201 Y206 F230 | E200-N204 PolarHBondContact O-N 2.83Å; E200-N204 VanDerWaalsContact O-O 3.1Å; F201-N204 CarbonylContact O-C 3.4Å; N204-Y206 PolarHBondContact ND2-O 3.16Å; N204-Y206 PolarHBondContact O-N 3.23Å; N204-Y206 PolarHBondContact OD1-N 3.43Å; N204-Y206 PolarHBondContact OD1-O 3.24Å; N204-F230 WeakPolarHBondContact O-CE1 3.37Å |
| 205 | R | 97.9 | Very high | 98.4 | Very high | 72 Ų | 72 | 70.6 Ų | 70.6 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -71.3 | -12.7 | -178.6 | -49.1 | -64.9 | 148.8 | 118.5 | -0.3 | 113.5 | F201 H202 R234 Y237 | F201-R205 HydrophobicContact CE2-CB 4Å; F201-R205 HydrophobicContact CE2-CG 4.45Å; F201-R205 HydrophobicContact CZ-CB 4.45Å; F201-R205 VanDerWaalsContact CZ-CD 3.46Å; F201-R205 HydrophobicContact CZ-CG 4.49Å; F201-R205 WeakPolarHBondContact O-CD 3.45Å; F201-R205 PolarHBondContact O-NE 2.9Å; H202-R205 PolarHBondContact O-NH2 3.2Å; H202-R205 VanDerWaalsContact O-NH2 3.09Å; R205-R234 VanDerWaalsContact O-CD 3.31Å; R205-R234 WeakPolarHBondContact O-CD 3.34Å; R205-Y237 PolarHBondContact NH1-OH 3.5Å |
| 206 | Y | 98.3 | Very high | 98.4 | Very high | 152 Ų | 152 | 66.9 Ų | 66.9 | 60% | 0.596 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -139.8 | 108.5 | -174.2 | -64.6 | -111.8 | 0 | 0 | 0 | 111.8 | N204 | N204-Y206 PolarHBondContact ND2-O 3.16Å; N204-Y206 PolarHBondContact O-N 3.23Å; N204-Y206 PolarHBondContact OD1-N 3.43Å; N204-Y206 PolarHBondContact OD1-O 3.24Å |
| 207 | L | 98.3 | Very high | 98.4 | Very high | 18 Ų | 18 | 69.4 Ų | 69.4 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | | | trans | -80 | 124.6 | 177.6 | -59.3 | -171.5 | 0 | 0 | 0 | 113.5 | R211 R212 M215 I226 F230 | L207-R211 HydrophobicContact CD2-CG 3.96Å; L207-R212 HydrophobicContact CB-CB 4.46Å; L207-R212 PolarHBondContact O-NH2 2.84Å; L207-M215 HydrophobicContact CD1-CG 4.49Å; L207-I226 HydrophobicContact CD1-CG2 3.74Å; L207-F230 HydrophobicContact CD1-CD2 4Å; L207-F230 HydrophobicContact CD1-CE1 4.19Å; L207-F230 HydrophobicContact CD1-CE2 3.58Å; L207-F230 HydrophobicContact CD1-CG 4.49Å; L207-F230 HydrophobicContact CD1-CZ 3.69Å; L207-F230 HydrophobicContact CD2-CE1 3.99Å; L207-F230 HydrophobicContact CD2-CZ 3.98Å; L207-F230 HydrophobicContact CG-CD1 4.02Å; L207-F230 HydrophobicContact CG-CD2 4.31Å; L207-F230 HydrophobicContact CG-CE1 3.67Å; L207-F230 HydrophobicContact CG-CE2 4.01Å; L207-F230 HydrophobicContact CG-CG 4.33Å; L207-F230 HydrophobicContact CG-CZ 3.68Å |
| 208 | C | 98.3 | Very high | 98.4 | Very high | 74 Ų | 74 | 75.1 Ų | 75.1 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | | | trans | -63.7 | 177.7 | 166.4 | 63.5 | 0 | 0 | 0 | 0 | 112.1 | R212 | C208-R212 WeakPolarHBondContact O-CB 3.37Å; C208-R212 PolarHBondContact O-N 3.44Å |
| 209 | R | 98.3 | Very high | 98.3 | Very high | 140 Ų | 140 | 72.9 Ų | 72.9 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68 | -44.3 | -176.7 | -175.5 | 67.6 | 176.9 | 89.7 | -18.1 | 113.6 | E223 | R209-E223 VanDerWaalsContact CZ-CD 3.48Å; R209-E223 IonicContact CZ-OE1 2.71Å; R209-E223 IonicContact CZ-OE2 2.94Å; R209-E223 IonicContact NE-OE2 2.75Å; R209-E223 IonicContact NH1-OE1 3.65Å; R209-E223 PolarHBondContact NH1-OE1 2.97Å; R209-E223 IonicContact NH1-OE2 3.05Å; R209-E223 PolarHBondContact NH1-OE2 3.33Å; R209-E223 IonicContact NH2-OE1 2.73Å; R209-E223 PolarHBondContact NH2-OE1 2.94Å; R209-E223 IonicContact NH2-OE2 3.73Å; R209-E223 PolarHBondContact NH2-OE2 3.04Å |
| 210 | P | 98.4 | Very high | 98.3 | Very high | 83 Ų | 83 | 74.5 Ų | 74.5 | 54% | 0.539 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.8 | -53.5 | 178.7 | -22.8 | 35.4 | 0 | 0 | 0 | 113.1 | R212 V213 E214 | P210-R212 PolarHBondContact O-N 2.91Å; P210-V213 WeakPolarHBondContact O-CA 3.1Å; P210-V213 WeakPolarHBondContact O-CB 3.42Å; P210-V213 PolarHBondContact O-N 2.84Å; P210-E214 PolarHBondContact O-N 3.43Å |
| 211 | R | 98.5 | Very high | 98.3 | Very high | 78 Ų | 78 | 74.8 Ų | 74.8 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.6 | -26.2 | -178.9 | -169.6 | 55.8 | 170.3 | -169.2 | -3 | 113.9 | E200 L207 E214 M215 | E200-R211 VanDerWaalsContact CD-NH2 3.35Å; E200-R211 IonicContact OE1-CZ 3.59Å; E200-R211 IonicContact OE1-NE 3.16Å; E200-R211 IonicContact OE1-NH2 2.72Å; E200-R211 PolarHBondContact OE1-NH2 3.28Å; E200-R211 IonicContact OE2-CZ 3.51Å; E200-R211 IonicContact OE2-NE 3.92Å; E200-R211 PolarHBondContact OE2-NE 2.73Å; E200-R211 IonicContact OE2-NH2 3.41Å; E200-R211 PolarHBondContact OE2-NH2 3.4Å; L207-R211 HydrophobicContact CD2-CG 3.96Å; R211-E214 WeakPolarHBondContact CA-OE1 3.39Å; R211-E214 WeakPolarHBondContact CD-OE2 3.24Å; R211-E214 IonicContact CZ-OE2 3.62Å; R211-E214 PolarHBondContact N-OE1 3.02Å; R211-E214 IonicContact NE-OE2 3.66Å; R211-E214 IonicContact NH1-OE2 2.77Å; R211-E214 PolarHBondContact NH1-OE2 3.05Å; R211-M215 WeakPolarHBondContact O-CG 3.09Å; R211-M215 PolarHBondContact O-N 2.89Å; R211-M215 VanDerWaalsContact O-N 3.07Å |
| 212 | R | 98.7 | Very high | 98.3 | Very high | 52 Ų | 52 | 78.6 Ų | 78.6 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.8 | -30.8 | 173.5 | -163.4 | -173.9 | -53.4 | 138.7 | 9.6 | 113.5 | L207 C208 P210 A216 E223 I226 | L207-R212 HydrophobicContact CB-CB 4.46Å; L207-R212 PolarHBondContact O-NH2 2.84Å; C208-R212 WeakPolarHBondContact O-CB 3.37Å; C208-R212 PolarHBondContact O-N 3.44Å; P210-R212 PolarHBondContact O-N 2.91Å; R212-A216 VanDerWaalsContact O-CB 3.22Å; R212-A216 WeakPolarHBondContact O-CB 3.48Å; R212-A216 PolarHBondContact O-N 3.01Å; R212-E223 HydrophobicContact CG-CB 4.31Å; R212-E223 HydrophobicContact CG-CG 4.19Å; R212-E223 IonicContact NH1-OE2 3.49Å; R212-I226 HydrophobicContact CG-CB 4.01Å; R212-I226 HydrophobicContact CG-CG2 3.81Å |
| 213 | V | 98.7 | Very high | 98.3 | Very high | 48 Ų | 48 | 75.8 Ų | 75.8 | 29% | 0.291 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.4 | -46.3 | 172.6 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | P210 M215 A216 N217 | P210-V213 WeakPolarHBondContact O-CA 3.1Å; P210-V213 WeakPolarHBondContact O-CB 3.42Å; P210-V213 PolarHBondContact O-N 2.84Å; V213-M215 VanDerWaalsContact C-N 3.3Å; V213-M215 PolarHBondContact O-N 2.9Å; V213-A216 WeakPolarHBondContact O-CB 3.34Å; V213-A216 PolarHBondContact O-N 2.61Å; V213-A216 VanDerWaalsContact O-N 3.11Å; V213-N217 WeakPolarHBondContact O-CB 3.5Å; V213-N217 VanDerWaalsContact O-CG 3.22Å; V213-N217 PolarHBondContact O-N 3.27Å; V213-N217 PolarHBondContact O-OD1 3.26Å |
| 214 | E | 98.6 | Very high | 98.3 | Very high | 79 Ų | 79 | 76.4 Ų | 76.4 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -53 | -49.3 | 174.9 | -65 | 156.2 | -126.7 | 0 | 0 | 110.8 | P210 R211 N217 L218 | P210-E214 PolarHBondContact O-N 3.43Å; R211-E214 WeakPolarHBondContact CA-OE1 3.39Å; R211-E214 WeakPolarHBondContact CD-OE2 3.24Å; R211-E214 IonicContact CZ-OE2 3.62Å; R211-E214 PolarHBondContact N-OE1 3.02Å; R211-E214 IonicContact NE-OE2 3.66Å; R211-E214 IonicContact NH1-OE2 2.77Å; R211-E214 PolarHBondContact NH1-OE2 3.05Å; E214-N217 PolarHBondContact O-N 3.27Å; E214-L218 WeakPolarHBondContact O-CB 3.47Å; E214-L218 WeakPolarHBondContact O-CD1 3.45Å; E214-L218 VanDerWaalsContact O-CG 3.25Å; E214-L218 WeakPolarHBondContact O-CG 3.4Å; E214-L218 PolarHBondContact O-N 3.15Å |
| 215 | M | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 75.8 Ų | 75.8 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -74.8 | -22.8 | 178.3 | -69.9 | -60.3 | 143.3 | 0 | 0 | 115.1 | E200 L207 R211 V213 L218 L219 I226 | E200-M215 HydrophobicContact CG-CE 3.7Å; E200-M215 HydrophobicContact CG-CG 3.94Å; E200-M215 HydrophobicContact CG-SD 3.57Å; E200-M215 VanDerWaalsContact CG-SD 3.57Å; L207-M215 HydrophobicContact CD1-CG 4.49Å; R211-M215 WeakPolarHBondContact O-CG 3.09Å; R211-M215 PolarHBondContact O-N 2.89Å; R211-M215 VanDerWaalsContact O-N 3.07Å; V213-M215 VanDerWaalsContact C-N 3.3Å; V213-M215 PolarHBondContact O-N 2.9Å; M215-L218 HydrophobicContact CE-CD1 3.54Å; M215-L218 HydrophobicContact SD-CD1 4.12Å; M215-L219 WeakPolarHBondContact O-CB 3.23Å; M215-L219 WeakPolarHBondContact O-CG 3.41Å; M215-L219 PolarHBondContact O-N 3Å; M215-I226 HydrophobicContact CB-CD1 4.45Å |
| 216 | A | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 72.4 Ų | 72.4 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.4 | -48 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R212 V213 N220 L221 E223 I226 | R212-A216 VanDerWaalsContact O-CB 3.22Å; R212-A216 WeakPolarHBondContact O-CB 3.48Å; R212-A216 PolarHBondContact O-N 3.01Å; V213-A216 WeakPolarHBondContact O-CB 3.34Å; V213-A216 PolarHBondContact O-N 2.61Å; V213-A216 VanDerWaalsContact O-N 3.11Å; A216-N220 PolarHBondContact O-N 3.43Å; A216-N220 VanDerWaalsContact O-N 3.13Å; A216-L221 CarbonylContact C-O 3.5Å; A216-L221 WeakPolarHBondContact CA-O 3.37Å; A216-L221 WeakPolarHBondContact CB-O 3.46Å; A216-L221 PolarHBondContact O-N 3.27Å; A216-L221 VanDerWaalsContact O-O 3.1Å; A216-E223 HydrophobicContact CB-CG 4.05Å; A216-I226 HydrophobicContact CB-CG1 4.34Å |
| 217 | N | 98.5 | Very high | 98.4 | Very high | 113 Ų | 113 | 71 Ų | 71 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -68.4 | -50.5 | -178.2 | -63.6 | -4.7 | 0 | 0 | 0 | 111.7 | V213 E214 L219 N220 | V213-N217 WeakPolarHBondContact O-CB 3.5Å; V213-N217 VanDerWaalsContact O-CG 3.22Å; V213-N217 PolarHBondContact O-N 3.27Å; V213-N217 PolarHBondContact O-OD1 3.26Å; E214-N217 PolarHBondContact O-N 3.27Å; N217-L219 PolarHBondContact O-N 3.06Å; N217-N220 PolarHBondContact O-N 2.95Å |
| 218 | L | 98.1 | Very high | 98.4 | Very high | 120 Ų | 120 | 72.7 Ų | 72.7 | 63% | 0.628 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.3 | -29.2 | -178 | -74.4 | 166.1 | 0 | 0 | 0 | 113.6 | E214 M215 | E214-L218 WeakPolarHBondContact O-CB 3.47Å; E214-L218 WeakPolarHBondContact O-CD1 3.45Å; E214-L218 VanDerWaalsContact O-CG 3.25Å; E214-L218 WeakPolarHBondContact O-CG 3.4Å; E214-L218 PolarHBondContact O-N 3.15Å; M215-L218 HydrophobicContact CE-CD1 3.54Å; M215-L218 HydrophobicContact SD-CD1 4.12Å |
| 219 | L | 98.1 | Very high | 98.4 | Very high | 16 Ų | 16 | 70.2 Ų | 70.2 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -106.2 | -0.8 | -175.2 | -55.4 | -175.8 | 0 | 0 | 0 | 113.7 | Q193 E196 L197 M215 N217 L221 I226 | Q193-L219 HydrophobicContact CG-CB 4.35Å; Q193-L219 PolarHBondContact NE2-O 3.47Å; E196-L219 HydrophobicContact CB-CD1 4.31Å; E196-L219 HydrophobicContact CB-CD2 3.63Å; E196-L219 HydrophobicContact CG-CD2 4.09Å; L197-L219 HydrophobicContact CD1-CD1 4.39Å; L197-L219 HydrophobicContact CD2-CD1 3.84Å; L197-L219 HydrophobicContact CG-CD1 3.67Å; M215-L219 WeakPolarHBondContact O-CB 3.23Å; M215-L219 WeakPolarHBondContact O-CG 3.41Å; M215-L219 PolarHBondContact O-N 3Å; N217-L219 PolarHBondContact O-N 3.06Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 HydrophobicContact CB-CD1 4.16Å; L219-L221 HydrophobicContact CB-CG 4.16Å; L219-L221 PolarHBondContact O-N 2.82Å; L219-I226 HydrophobicContact CD1-CD1 4.37Å |
| 220 | N | 98.4 | Very high | 98.4 | Very high | 148 Ų | 148 | 63.9 Ų | 63.9 | 79% | 0.791 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 47.2 | -171.6 | -63.9 | -65 | 0 | 0 | 0 | 112.7 | A216 N217 | A216-N220 PolarHBondContact O-N 3.43Å; A216-N220 VanDerWaalsContact O-N 3.13Å; N217-N220 PolarHBondContact O-N 2.95Å |
| 221 | L | 98 | Very high | 98.4 | Very high | 17 Ų | 17 | 64.8 Ų | 64.8 | 9% | 0.089 | 31% | 0.31 | C | S | . | . | | | trans | -126.1 | 145.1 | 179.9 | -67.6 | -179.1 | 0 | 0 | 0 | 110.5 | Y189 Q193 L197 A216 L219 Q225 I226 | Y189-L221 HydrophobicContact CD1-CD1 3.77Å; Y189-L221 HydrophobicContact CD1-CD2 3.81Å; Y189-L221 HydrophobicContact CD1-CG 4.48Å; Y189-L221 HydrophobicContact CE1-CD1 3.82Å; Y189-L221 HydrophobicContact CE1-CD2 3.78Å; Y189-L221 HydrophobicContact CE1-CG 4.45Å; Q193-L221 HydrophobicContact CG-CD1 4.45Å; L197-L221 HydrophobicContact CD1-CD1 4.24Å; A216-L221 CarbonylContact C-O 3.5Å; A216-L221 WeakPolarHBondContact CA-O 3.37Å; A216-L221 WeakPolarHBondContact CB-O 3.46Å; A216-L221 PolarHBondContact O-N 3.27Å; A216-L221 VanDerWaalsContact O-O 3.1Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 HydrophobicContact CB-CD1 4.16Å; L219-L221 HydrophobicContact CB-CG 4.16Å; L219-L221 PolarHBondContact O-N 2.82Å; L221-Q225 HydrophobicContact CB-CB 4.39Å; L221-I226 HydrophobicContact CB-CD1 3.92Å; L221-I226 HydrophobicContact CB-CG1 4.44Å; L221-I226 HydrophobicContact CD1-CD1 4.02Å |
| 222 | T | 98.5 | Very high | 98.4 | Very high | 81 Ų | 81 | 66 Ų | 66 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | | | trans | -65.7 | 147.2 | 173.2 | 64.6 | 0 | 0 | 0 | 0 | 111.2 | R224 Q225 I226 | T222-R224 PolarHBondContact O-N 2.78Å; T222-Q225 WeakPolarHBondContact O-CA 3.49Å; T222-Q225 WeakPolarHBondContact O-CB 3.28Å; T222-Q225 PolarHBondContact O-N 3.19Å; T222-Q225 WeakPolarHBondContact OG1-CG 3.31Å; T222-Q225 PolarHBondContact OG1-N 3.01Å; T222-Q225 PolarHBondContact OG1-OE1 3.09Å; T222-I226 PolarHBondContact O-N 2.9Å; T222-I226 VanDerWaalsContact O-N 3.1Å |
| 223 | E | 98.6 | Very high | 98.4 | Very high | 50 Ų | 50 | 65 Ų | 65 | 23% | 0.234 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -49.9 | -31.5 | 171.1 | -77.7 | -167.1 | -118.3 | 0 | 0 | 113.5 | R209 R212 A216 I226 K227 | R209-E223 VanDerWaalsContact CZ-CD 3.48Å; R209-E223 IonicContact CZ-OE1 2.71Å; R209-E223 IonicContact CZ-OE2 2.94Å; R209-E223 IonicContact NE-OE2 2.75Å; R209-E223 IonicContact NH1-OE1 3.65Å; R209-E223 PolarHBondContact NH1-OE1 2.97Å; R209-E223 IonicContact NH1-OE2 3.05Å; R209-E223 PolarHBondContact NH1-OE2 3.33Å; R209-E223 IonicContact NH2-OE1 2.73Å; R209-E223 PolarHBondContact NH2-OE1 2.94Å; R209-E223 IonicContact NH2-OE2 3.73Å; R209-E223 PolarHBondContact NH2-OE2 3.04Å; R212-E223 HydrophobicContact CG-CB 4.31Å; R212-E223 HydrophobicContact CG-CG 4.19Å; R212-E223 IonicContact NH1-OE2 3.49Å; A216-E223 HydrophobicContact CB-CG 4.05Å; E223-I226 PolarHBondContact O-N 3.34Å; E223-K227 VanDerWaalsContact O-CB 3.28Å; E223-K227 WeakPolarHBondContact O-CB 3.33Å; E223-K227 PolarHBondContact O-N 2.91Å |
| 224 | R | 98.2 | Very high | 98.4 | Very high | 182 Ų | 182 | 66.6 Ų | 66.6 | 69% | 0.687 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.6 | -40.4 | 176.9 | -172.7 | 179.1 | 179.1 | -77.7 | -2.5 | 111.5 | T222 I228 | T222-R224 PolarHBondContact O-N 2.78Å; R224-I228 HydrophobicContact CG-CD1 4Å; R224-I228 WeakPolarHBondContact O-CB 3.25Å; R224-I228 WeakPolarHBondContact O-CD1 3.27Å; R224-I228 VanDerWaalsContact O-CG1 3.23Å; R224-I228 WeakPolarHBondContact O-CG1 3.46Å; R224-I228 PolarHBondContact O-N 3.21Å |
| 225 | Q | 98.3 | Very high | 98.4 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 172.3 | -75.7 | 158.2 | -70.5 | 0 | 0 | 110.9 | Y189 L221 T222 K227 I228 W229 | Y189-Q225 HydrophobicContact CE1-CB 4.19Å; Y189-Q225 HydrophobicContact CE1-CG 4.36Å; Y189-Q225 WeakPolarHBondContact OH-CB 3.5Å; L221-Q225 HydrophobicContact CB-CB 4.39Å; T222-Q225 WeakPolarHBondContact O-CA 3.49Å; T222-Q225 WeakPolarHBondContact O-CB 3.28Å; T222-Q225 PolarHBondContact O-N 3.19Å; T222-Q225 WeakPolarHBondContact OG1-CG 3.31Å; T222-Q225 PolarHBondContact OG1-N 3.01Å; T222-Q225 PolarHBondContact OG1-OE1 3.09Å; Q225-K227 PolarHBondContact O-N 3.25Å; Q225-I228 PolarHBondContact O-N 2.74Å; Q225-W229 WeakPolarHBondContact O-CB 3.41Å; Q225-W229 PolarHBondContact O-N 2.76Å |
| 226 | I | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.5 | -49.7 | 175.4 | -52.8 | -63.4 | 0 | 0 | 0 | 110.8 | L197 L207 R212 M215 A216 L219 L221 T222 E223 I228 W229 F230 | L197-I226 HydrophobicContact CD2-CD1 3.84Å; L207-I226 HydrophobicContact CD1-CG2 3.74Å; R212-I226 HydrophobicContact CG-CB 4.01Å; R212-I226 HydrophobicContact CG-CG2 3.81Å; M215-I226 HydrophobicContact CB-CD1 4.45Å; A216-I226 HydrophobicContact CB-CG1 4.34Å; L219-I226 HydrophobicContact CD1-CD1 4.37Å; L221-I226 HydrophobicContact CB-CD1 3.92Å; L221-I226 HydrophobicContact CB-CG1 4.44Å; L221-I226 HydrophobicContact CD1-CD1 4.02Å; T222-I226 PolarHBondContact O-N 2.9Å; T222-I226 VanDerWaalsContact O-N 3.1Å; E223-I226 PolarHBondContact O-N 3.34Å; I226-I228 PolarHBondContact O-N 3.3Å; I226-W229 PolarHBondContact O-N 3.43Å; I226-F230 HydrophobicContact CG2-CD2 4.02Å; I226-F230 HydrophobicContact CG2-CE2 4.26Å; I226-F230 WeakPolarHBondContact O-CD2 3.46Å; I226-F230 PolarHBondContact O-N 3.48Å |
| 227 | K | 98.3 | Very high | 98.2 | Very high | 122 Ų | 122 | 76.9 Ų | 76.9 | 53% | 0.53 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.6 | -45 | 178.2 | -177.1 | -177.9 | 178.6 | -178.3 | 0 | 112.3 | E223 Q225 Q231 | E223-K227 VanDerWaalsContact O-CB 3.28Å; E223-K227 WeakPolarHBondContact O-CB 3.33Å; E223-K227 PolarHBondContact O-N 2.91Å; Q225-K227 PolarHBondContact O-N 3.25Å; K227-Q231 WeakPolarHBondContact O-CB 3.29Å; K227-Q231 PolarHBondContact O-N 2.86Å |
| 228 | I | 98.4 | Very high | 98.1 | Very high | 53 Ų | 53 | 77.2 Ų | 77.2 | 27% | 0.272 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69 | -42.1 | 179.2 | -71.4 | 168.1 | 0 | 0 | 0 | 110.9 | R224 Q225 I226 Q231 N232 | R224-I228 HydrophobicContact CG-CD1 4Å; R224-I228 WeakPolarHBondContact O-CB 3.25Å; R224-I228 WeakPolarHBondContact O-CD1 3.27Å; R224-I228 VanDerWaalsContact O-CG1 3.23Å; R224-I228 WeakPolarHBondContact O-CG1 3.46Å; R224-I228 PolarHBondContact O-N 3.21Å; Q225-I228 PolarHBondContact O-N 2.74Å; I226-I228 PolarHBondContact O-N 3.3Å; I228-Q231 PolarHBondContact O-N 3.21Å; I228-N232 WeakPolarHBondContact O-CB 3.23Å; I228-N232 VanDerWaalsContact O-CG 3.28Å; I228-N232 PolarHBondContact O-N 3.05Å |
| 229 | W | 98.5 | Very high | 97.9 | Very high | 22 Ų | 22 | 79.1 Ų | 79.1 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 176.9 | -169.1 | 104.4 | 0 | 0 | 0 | 110.8 | Y189 L197 E198 F201 Q225 I226 Q231 N232 R233 | Y189-W229 AromaticContact CD2-CD1 3.9Å; Y189-W229 AromaticContact CE2-CD1 3.74Å; L197-W229 VanDerWaalsContact C-CH2 3.47Å; L197-W229 HydrophobicContact CB-CD2 3.95Å; L197-W229 HydrophobicContact CB-CE3 3.96Å; L197-W229 HydrophobicContact CB-CH2 3.69Å; L197-W229 HydrophobicContact CB-CZ2 3.66Å; L197-W229 HydrophobicContact CB-CZ3 3.83Å; L197-W229 HydrophobicContact CD1-CD2 3.95Å; L197-W229 HydrophobicContact CD1-CG 3.88Å; L197-W229 HydrophobicContact CD2-CD2 4.35Å; L197-W229 HydrophobicContact CD2-CE3 4.24Å; L197-W229 HydrophobicContact CG-CD2 4.31Å; L197-W229 HydrophobicContact CG-CE3 4.49Å; L197-W229 WeakPolarHBondContact O-CH2 3.47Å; L197-W229 WeakPolarHBondContact O-CZ3 3.14Å; E198-W229 HydrophobicContact CG-CH2 4.3Å; E198-W229 HydrophobicContact CG-CZ2 4.28Å; F201-W229 HydrophobicContact CB-CH2 4.31Å; F201-W229 HydrophobicContact CB-CZ3 4.01Å; F201-W229 HydrophobicContact CG-CZ3 4.44Å; Q225-W229 WeakPolarHBondContact O-CB 3.41Å; Q225-W229 PolarHBondContact O-N 2.76Å; I226-W229 PolarHBondContact O-N 3.43Å; W229-Q231 VanDerWaalsContact C-N 3.29Å; W229-Q231 PolarHBondContact O-N 3.34Å; W229-N232 PolarHBondContact O-N 3.21Å; W229-R233 HydrophobicContact CD2-CB 4.44Å; W229-R233 HydrophobicContact CE3-CB 3.87Å; W229-R233 HydrophobicContact CE3-CG 4.42Å; W229-R233 HydrophobicContact CH2-CB 3.91Å; W229-R233 HydrophobicContact CH2-CG 3.56Å; W229-R233 HydrophobicContact CZ2-CB 4.47Å; W229-R233 HydrophobicContact CZ2-CG 4.29Å; W229-R233 HydrophobicContact CZ3-CB 3.57Å; W229-R233 HydrophobicContact CZ3-CG 3.64Å; W229-R233 WeakPolarHBondContact O-CB 3.37Å; W229-R233 PolarHBondContact O-N 3.12Å |
| 230 | F | 98.8 | Very high | 97.7 | Very high | 7 Ų | 7 | 80 Ų | 80 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.7 | -27 | 176 | -91.1 | -100.3 | 0 | 0 | 0 | 113.8 | L197 E200 F201 N204 L207 I226 R234 | L197-F230 HydrophobicContact CD2-CD2 4.46Å; L197-F230 HydrophobicContact CD2-CE2 3.92Å; E200-F230 HydrophobicContact CB-CZ 3.99Å; F201-F230 HydrophobicContact CB-CE1 4.05Å; F201-F230 HydrophobicContact CB-CZ 4.17Å; F201-F230 AromaticContact CD2-CD1 3.95Å; F201-F230 HydrophobicContact CD2-CD1 3.95Å; F201-F230 AromaticContact CD2-CE1 3.84Å; F201-F230 HydrophobicContact CD2-CE1 3.84Å; F201-F230 HydrophobicContact CG-CE1 4.47Å; N204-F230 WeakPolarHBondContact O-CE1 3.37Å; L207-F230 HydrophobicContact CD1-CD2 4Å; L207-F230 HydrophobicContact CD1-CE1 4.19Å; L207-F230 HydrophobicContact CD1-CE2 3.58Å; L207-F230 HydrophobicContact CD1-CG 4.49Å; L207-F230 HydrophobicContact CD1-CZ 3.69Å; L207-F230 HydrophobicContact CD2-CE1 3.99Å; L207-F230 HydrophobicContact CD2-CZ 3.98Å; L207-F230 HydrophobicContact CG-CD1 4.02Å; L207-F230 HydrophobicContact CG-CD2 4.31Å; L207-F230 HydrophobicContact CG-CE1 3.67Å; L207-F230 HydrophobicContact CG-CE2 4.01Å; L207-F230 HydrophobicContact CG-CG 4.33Å; L207-F230 HydrophobicContact CG-CZ 3.68Å; I226-F230 HydrophobicContact CG2-CD2 4.02Å; I226-F230 HydrophobicContact CG2-CE2 4.26Å; I226-F230 WeakPolarHBondContact O-CD2 3.46Å; I226-F230 PolarHBondContact O-N 3.48Å; F230-R234 WeakPolarHBondContact O-CB 3.49Å; F230-R234 WeakPolarHBondContact O-CG 3.34Å; F230-R234 PolarHBondContact O-N 3.34Å; F230-R234 PolarHBondContact O-NE 2.88Å |
| 231 | Q | 98.6 | Very high | 97.3 | Very high | 102 Ų | 102 | 76 Ų | 76 | 48% | 0.477 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.1 | -46.8 | 171.1 | -170.7 | 168.6 | 7.8 | 0 | 0 | 111.1 | K227 I228 W229 M235 | K227-Q231 WeakPolarHBondContact O-CB 3.29Å; K227-Q231 PolarHBondContact O-N 2.86Å; I228-Q231 PolarHBondContact O-N 3.21Å; W229-Q231 VanDerWaalsContact C-N 3.29Å; W229-Q231 PolarHBondContact O-N 3.34Å; Q231-M235 WeakPolarHBondContact O-CG 3.38Å; Q231-M235 PolarHBondContact O-N 3.19Å; Q231-M235 VanDerWaalsContact O-N 3.12Å |
| 232 | N | 98.3 | Very high | 96.7 | Very high | 103 Ų | 103 | 82.8 Ų | 82.8 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.9 | -42.7 | 177 | -68.2 | -15.1 | 0 | 0 | 0 | 111.9 | I228 W229 M235 K236 | I228-N232 WeakPolarHBondContact O-CB 3.23Å; I228-N232 VanDerWaalsContact O-CG 3.28Å; I228-N232 PolarHBondContact O-N 3.05Å; W229-N232 PolarHBondContact O-N 3.21Å; N232-M235 PolarHBondContact O-N 3.35Å; N232-K236 PolarHBondContact O-N 3.26Å |
| 233 | R | 98.4 | Very high | 95.9 | Very high | 32 Ų | 32 | 83.3 Ų | 83.3 | 12% | 0.121 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67 | -38.6 | -179.3 | -165.8 | 64.8 | 171.3 | 97.7 | -10 | 112.6 | E198 F201 W229 K236 Y237 D240 | E198-R233 VanDerWaalsContact CD-NH2 3.26Å; E198-R233 IonicContact OE1-CZ 3Å; E198-R233 VanDerWaalsContact OE1-CZ 3.23Å; E198-R233 IonicContact OE1-NE 3.93Å; E198-R233 PolarHBondContact OE1-NE 2.86Å; E198-R233 IonicContact OE1-NH2 2.73Å; E198-R233 PolarHBondContact OE1-NH2 3.27Å; E198-R233 IonicContact OE2-CZ 3.23Å; E198-R233 IonicContact OE2-NE 2.67Å; E198-R233 IonicContact OE2-NH2 3.75Å; E198-R233 PolarHBondContact OE2-NH2 2.99Å; F201-R233 HydrophobicContact CD1-CG 3.67Å; F201-R233 HydrophobicContact CD2-CB 4.33Å; F201-R233 HydrophobicContact CD2-CG 3.99Å; F201-R233 HydrophobicContact CE1-CG 3.79Å; F201-R233 HydrophobicContact CE2-CB 4.35Å; F201-R233 HydrophobicContact CE2-CG 4.11Å; F201-R233 HydrophobicContact CG-CG 3.77Å; F201-R233 HydrophobicContact CZ-CG 4.01Å; W229-R233 HydrophobicContact CD2-CB 4.44Å; W229-R233 HydrophobicContact CE3-CB 3.87Å; W229-R233 HydrophobicContact CE3-CG 4.42Å; W229-R233 HydrophobicContact CH2-CB 3.91Å; W229-R233 HydrophobicContact CH2-CG 3.56Å; W229-R233 HydrophobicContact CZ2-CB 4.47Å; W229-R233 HydrophobicContact CZ2-CG 4.29Å; W229-R233 HydrophobicContact CZ3-CB 3.57Å; W229-R233 HydrophobicContact CZ3-CG 3.64Å; W229-R233 WeakPolarHBondContact O-CB 3.37Å; W229-R233 PolarHBondContact O-N 3.12Å; R233-K236 PolarHBondContact O-N 2.63Å; R233-Y237 VanDerWaalsContact O-CB 3.27Å; R233-Y237 WeakPolarHBondContact O-CB 3.4Å; R233-Y237 PolarHBondContact O-N 2.83Å; R233-D240 IonicContact NH1-OD2 2.63Å |
| 234 | R | 98.1 | Very high | 94.9 | Very high | 81 Ų | 81 | 87 Ų | 87 | 31% | 0.306 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 170.3 | -77.1 | -179.4 | -68.8 | 154.6 | 2.3 | 112.4 | F201 R205 F230 Y237 K238 | F201-R234 HydrophobicContact CE2-CG 3.73Å; F201-R234 HydrophobicContact CZ-CG 4.29Å; R205-R234 VanDerWaalsContact O-CD 3.31Å; R205-R234 WeakPolarHBondContact O-CD 3.34Å; F230-R234 WeakPolarHBondContact O-CB 3.49Å; F230-R234 WeakPolarHBondContact O-CG 3.34Å; F230-R234 PolarHBondContact O-N 3.34Å; F230-R234 PolarHBondContact O-NE 2.88Å; R234-Y237 PolarHBondContact O-N 2.83Å; R234-K238 WeakPolarHBondContact O-CB 3.17Å; R234-K238 PolarHBondContact O-N 2.82Å |
| 235 | M | 98.1 | Very high | 93.1 | Very high | 111 Ų | 111 | 80.3 Ų | 80.3 | 55% | 0.547 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 177.2 | -71.3 | -66.2 | -78.4 | 0 | 0 | 112.1 | Q231 N232 K239 | Q231-M235 WeakPolarHBondContact O-CG 3.38Å; Q231-M235 PolarHBondContact O-N 3.19Å; Q231-M235 VanDerWaalsContact O-N 3.12Å; N232-M235 PolarHBondContact O-N 3.35Å; M235-K239 PolarHBondContact O-N 2.98Å |
| 236 | K | 96.9 | Very high | 91.3 | Very high | 113 Ų | 113 | 84.6 Ų | 84.6 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -54.3 | 170.6 | -170.6 | -167.7 | 169.1 | -174.5 | 0 | 110.7 | N232 R233 K238 K239 D240 | N232-K236 PolarHBondContact O-N 3.26Å; R233-K236 PolarHBondContact O-N 2.63Å; K236-K238 VanDerWaalsContact C-N 3.3Å; K236-K238 PolarHBondContact O-N 3.27Å; K236-K239 CarbonylContact O-C 3.56Å; K236-K239 WeakPolarHBondContact O-CA 3.4Å; K236-K239 WeakPolarHBondContact O-CB 3.09Å; K236-K239 PolarHBondContact O-N 2.98Å; K236-D240 WeakPolarHBondContact CE-OD2 3.36Å; K236-D240 PolarHBondContact O-N 3.35Å |
| 237 | Y | 96.4 | Very high | 89.2 | Confident | 85 Ų | 85 | 87.9 Ų | 87.9 | 33% | 0.333 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -53.8 | -44.1 | 179 | 179.8 | -105.7 | 0 | 0 | 0 | 112.5 | F201 R205 R233 R234 K239 D240 Q241 | F201-Y237 HydrophobicContact CE1-CD2 4.29Å; F201-Y237 HydrophobicContact CE1-CG 4.19Å; F201-Y237 HydrophobicContact CZ-CD1 4.48Å; F201-Y237 HydrophobicContact CZ-CG 4.12Å; R205-Y237 PolarHBondContact NH1-OH 3.5Å; R233-Y237 VanDerWaalsContact O-CB 3.27Å; R233-Y237 WeakPolarHBondContact O-CB 3.4Å; R233-Y237 PolarHBondContact O-N 2.83Å; R234-Y237 PolarHBondContact O-N 2.83Å; Y237-K239 VanDerWaalsContact C-N 3.28Å; Y237-K239 PolarHBondContact O-N 3.3Å; Y237-D240 PolarHBondContact O-N 3.22Å; Y237-Q241 HydrophobicContact CD1-CG 4.37Å; Y237-Q241 HydrophobicContact CD2-CG 4.18Å; Y237-Q241 HydrophobicContact CE1-CG 4Å; Y237-Q241 HydrophobicContact CE2-CG 3.79Å; Y237-Q241 HydrophobicContact CG-CG 4.46Å; Y237-Q241 WeakPolarHBondContact O-CG 3.2Å; Y237-Q241 PolarHBondContact O-N 3.25Å |
| 238 | K | 95.8 | Very high | 86.8 | Confident | 120 Ų | 120 | 90.7 Ų | 90.7 | 52% | 0.522 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.8 | -33.4 | 174.8 | -177.1 | 172.3 | 63.1 | 175.5 | 0 | 112.9 | R234 K236 K242 | R234-K238 WeakPolarHBondContact O-CB 3.17Å; R234-K238 PolarHBondContact O-N 2.82Å; K236-K238 VanDerWaalsContact C-N 3.3Å; K236-K238 PolarHBondContact O-N 3.27Å; K238-K242 WeakPolarHBondContact O-CD 3.34Å |
| 239 | K | 95.3 | Very high | 84.6 | Confident | 159 Ų | 159 | 92.4 Ų | 92.4 | 69% | 0.691 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -73.1 | -52.2 | 172.2 | -172.2 | -174.7 | 178.1 | -174.3 | 0 | 110.5 | M235 K236 Y237 Q241 K242 S243 | M235-K239 PolarHBondContact O-N 2.98Å; K236-K239 CarbonylContact O-C 3.56Å; K236-K239 WeakPolarHBondContact O-CA 3.4Å; K236-K239 WeakPolarHBondContact O-CB 3.09Å; K236-K239 PolarHBondContact O-N 2.98Å; Y237-K239 VanDerWaalsContact C-N 3.28Å; Y237-K239 PolarHBondContact O-N 3.3Å; K239-Q241 VanDerWaalsContact C-N 3.29Å; K239-Q241 PolarHBondContact O-N 2.84Å; K239-K242 PolarHBondContact O-N 2.86Å; K239-S243 PolarHBondContact O-N 2.84Å; K239-S243 PolarHBondContact O-OG 3.06Å |
| 240 | D | 92.6 | Very high | 82.3 | Confident | 36 Ų | 36 | 98 Ų | 98 | 19% | 0.193 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -53.1 | -44.4 | -176.5 | -61.7 | -10.5 | 0 | 0 | 0 | 111.6 | R233 K236 Y237 K242 S243 K244 | R233-D240 IonicContact NH1-OD2 2.63Å; K236-D240 WeakPolarHBondContact CE-OD2 3.36Å; K236-D240 PolarHBondContact O-N 3.35Å; Y237-D240 PolarHBondContact O-N 3.22Å; D240-K242 VanDerWaalsContact C-N 3.29Å; D240-K242 PolarHBondContact O-N 3.13Å; D240-S243 WeakPolarHBondContact CA-OG 3.48Å; D240-S243 PolarHBondContact O-N 3.14Å; D240-S243 PolarHBondContact O-OG 3.03Å; D240-K244 VanDerWaalsContact O-CG 3.23Å; D240-K244 WeakPolarHBondContact O-CG 3.27Å; D240-K244 PolarHBondContact O-N 3.09Å |
| 241 | Q | 90.4 | Very high | 80.1 | Confident | 63 Ų | 63 | 106 Ų | 106 | 29% | 0.294 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.3 | -28.2 | 179.4 | -68.4 | -56.4 | 101 | 0 | 0 | 113.7 | Y237 K239 | Y237-Q241 HydrophobicContact CD1-CG 4.37Å; Y237-Q241 HydrophobicContact CD2-CG 4.18Å; Y237-Q241 HydrophobicContact CE1-CG 4Å; Y237-Q241 HydrophobicContact CE2-CG 3.79Å; Y237-Q241 HydrophobicContact CG-CG 4.46Å; Y237-Q241 WeakPolarHBondContact O-CG 3.2Å; Y237-Q241 PolarHBondContact O-N 3.25Å; K239-Q241 VanDerWaalsContact C-N 3.29Å; K239-Q241 PolarHBondContact O-N 2.84Å |
| 242 | K | 86.1 | Confident | 77.9 | Confident | 160 Ų | 160 | 104.4 Ų | 104.4 | 70% | 0.696 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -82.9 | -29.1 | 179.3 | -67.4 | 160.5 | 73.9 | 170.1 | 0 | 111.9 | K238 K239 D240 K244 | K238-K242 WeakPolarHBondContact O-CD 3.34Å; K239-K242 PolarHBondContact O-N 2.86Å; D240-K242 VanDerWaalsContact C-N 3.29Å; D240-K242 PolarHBondContact O-N 3.13Å; K242-K244 VanDerWaalsContact C-N 3.3Å |
| 243 | S | 80.6 | Confident | 75.7 | Confident | 92 Ų | 92 | 109 Ų | 109 | 64% | 0.643 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -75.7 | -12.8 | 170.7 | 42.8 | 0 | 0 | 0 | 0 | 114.4 | K239 D240 | K239-S243 PolarHBondContact O-N 2.84Å; K239-S243 PolarHBondContact O-OG 3.06Å; D240-S243 WeakPolarHBondContact CA-OG 3.48Å; D240-S243 PolarHBondContact O-N 3.14Å; D240-S243 PolarHBondContact O-OG 3.03Å |
| 244 | K | 78.3 | Confident | 73.1 | Confident | 128 Ų | 128 | 112.5 Ų | 112.5 | 56% | 0.557 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 11.6 | -174.3 | -79.6 | 175.5 | 178.6 | -172.1 | 0 | 115.3 | D240 K242 L246 | D240-K244 VanDerWaalsContact O-CG 3.23Å; D240-K244 WeakPolarHBondContact O-CG 3.27Å; D240-K244 PolarHBondContact O-N 3.09Å; K242-K244 VanDerWaalsContact C-N 3.3Å; K244-L246 HydrophobicContact CB-CD1 4.34Å; K244-L246 PolarHBondContact O-N 2.84Å |
| 245 | G | 61 | Low | 71.2 | Confident | 41 Ų | 41 | 114.8 Ų | 114.8 | 42% | 0.423 | 63% | 0.627 | S | S | . | * | S | Bend | trans | 68.6 | -16 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | A247 H248 | G245-A247 PolarHBondContact O-N 2.72Å; G245-H248 PolarHBondContact O-CD2 2.81Å; G245-H248 VanDerWaalsContact O-CD2 3.25Å; G245-H248 PolarHBondContact O-N 3Å |
| 246 | L | 59.3 | Low | 68.8 | Low | 145 Ų | 145 | 116 Ų | 116 | 76% | 0.759 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 8.4 | 178.2 | -73.5 | 153.9 | 0 | 0 | 0 | 114.9 | K244 | K244-L246 HydrophobicContact CB-CD1 4.34Å; K244-L246 PolarHBondContact O-N 2.84Å |
| 247 | A | 55.8 | Low | 66.6 | Low | 71 Ų | 71 | 121.7 Ų | 121.7 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 31.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G245 S249 | G245-A247 PolarHBondContact O-N 2.72Å; A247-S249 PolarHBondContact O-N 2.81Å |
| 248 | H | 47.7 | Very low | 64.3 | Low | 180 Ų | 180 | 121.6 Ų | 121.6 | 83% | 0.833 | 67% | 0.666 | S | S | * | * | | | trans | -70.6 | 67.1 | 164.6 | -94.5 | -70 | 0 | 0 | 0 | 111.1 | G245 | G245-H248 PolarHBondContact O-CD2 2.81Å; G245-H248 VanDerWaalsContact O-CD2 3.25Å; G245-H248 PolarHBondContact O-N 3Å |
| 249 | S | 50.7 | Low | 62.6 | Low | 90 Ų | 90 | 121.1 Ų | 121.1 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | | | trans | -103 | 123.7 | 158.2 | -59.3 | 0 | 0 | 0 | 0 | 106.9 | A247 M251 | A247-S249 PolarHBondContact O-N 2.81Å; S249-M251 PolarHBondContact O-N 2.86Å |
| 250 | P | 50.8 | Low | 60.6 | Low | 139 Ų | 139 | 119.2 Ų | 119.2 | 90% | 0.903 | 68% | 0.679 | S | S | * | * | | | trans | -78.4 | 32.9 | -165.3 | 32.8 | -38 | 0 | 0 | 0 | 114.6 | | |
| 251 | M | 53.8 | Low | 58.4 | Low | 175 Ų | 175 | 125.7 Ų | 125.7 | 86% | 0.862 | 71% | 0.713 | S | S | * | * | | | trans | -105.4 | 109.7 | -174.2 | -69.3 | 167.2 | 69.3 | 0 | 0 | 111.4 | S249 | S249-M251 PolarHBondContact O-N 2.86Š|
| 252 | G | 51.5 | Low | 56.2 | Low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | | | trans | 102 | 23.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | S254 | G252-S254 VanDerWaalsContact C-N 3.32Å; G252-S254 PolarHBondContact O-N 3.05Å; G252-S254 VanDerWaalsContact O-N 3.16Å |
| 253 | H | 51.7 | Low | 54.1 | Low | 199 Ų | 199 | 123.8 Ų | 123.8 | 92% | 0.921 | 74% | 0.736 | S | S | * | * | | | trans | -78.5 | 85 | 156.8 | -88.6 | -106.4 | 0 | 0 | 0 | 109.6 | | |
| 254 | S | 45.1 | Very low | 52.6 | Low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | | | trans | -63.2 | 126.9 | 172 | -63.3 | 0 | 0 | 0 | 0 | 110.4 | G252 D256 | G252-S254 VanDerWaalsContact C-N 3.32Å; G252-S254 PolarHBondContact O-N 3.05Å; G252-S254 VanDerWaalsContact O-N 3.16Å; S254-D256 PolarHBondContact O-N 3.01Å |
| 255 | P | 56.4 | Low | 51.1 | Low | 129 Ų | 129 | 125.8 Ų | 125.8 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | trans | -84.4 | 57.4 | -178 | 35.9 | -36.9 | 0 | 0 | 0 | 112 | R257 | P255-R257 PolarHBondContact O-N 3.16Š|
| 256 | D | 49 | Very low | 50.2 | Low | 136 Ų | 136 | 132.7 Ų | 132.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -83.9 | 67.7 | 167.6 | -162.1 | 1.9 | 0 | 0 | 0 | 111 | S254 S258 | S254-D256 PolarHBondContact O-N 3.01Å; D256-S258 PolarHBondContact OD1-N 3.03Å; D256-S258 PolarHBondContact OD1-OG 3.41Å |
| 257 | R | 49.5 | Very low | 49.3 | Very low | 233 Ų | 233 | 131.7 Ų | 131.7 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | | | trans | -105.9 | 80.8 | 152.2 | -176 | -178.3 | -179.3 | -179.9 | 0.1 | 106.2 | P255 | P255-R257 PolarHBondContact O-N 3.16Š|
| 258 | S | 48.9 | Very low | 48.4 | Very low | 84 Ų | 84 | 131 Ų | 131 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | | | trans | -51.8 | 129.5 | -177.4 | -17.5 | 0 | 0 | 0 | 0 | 110.4 | D256 | D256-S258 PolarHBondContact OD1-N 3.03Å; D256-S258 PolarHBondContact OD1-OG 3.41Å |
| 259 | P | 59.1 | Low | 47.9 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | | | trans | -66.8 | 138.1 | 179 | -19.7 | 31.9 | 0 | 0 | 0 | 111.1 | L261 | P259-L261 PolarHBondContact O-N 3.18Å; P259-L261 VanDerWaalsContact O-N 3.17Å |
| 260 | P | 53.4 | Low | 47.6 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | -67.7 | 113.6 | 165 | 28.8 | -31.6 | 0 | 0 | 0 | 108.5 | S262 | P260-S262 PolarHBondContact O-N 2.73Š|
| 261 | L | 48 | Very low | 46.9 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | | | trans | -67.6 | 105.1 | 173.1 | -79.5 | 167.8 | 0 | 0 | 0 | 109.4 | P259 G263 | P259-L261 PolarHBondContact O-N 3.18Å; P259-L261 VanDerWaalsContact O-N 3.17Å; L261-G263 VanDerWaalsContact C-N 3.25Å; L261-G263 PolarHBondContact O-N 3.02Å |
| 262 | S | 43.8 | Very low | 46 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -70.9 | 77.5 | 174 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | P260 | P260-S262 PolarHBondContact O-N 2.73Š|
| 263 | G | 42.3 | Very low | 45.6 | Very low | 63 Ų | 63 | 135.7 Ų | 135.7 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | | | trans | -70.7 | 131.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L261 | L261-G263 VanDerWaalsContact C-N 3.25Å; L261-G263 PolarHBondContact O-N 3.02Å |
| 264 | P | 47.9 | Very low | 45 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -69.5 | 160.5 | 170.4 | 30.8 | -34.5 | 0 | 0 | 0 | 110.7 | | |
| 265 | N | 46.8 | Very low | 44.5 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | | | trans | 74.1 | 76.2 | 178.1 | -43.8 | -59.6 | 0 | 0 | 0 | 116.1 | | |
| 266 | H | 42.6 | Very low | 43.5 | Very low | 186 Ų | 186 | 136.3 Ų | 136.3 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | | -145.9 | 113 | 113.9 | -137.2 | -71.6 | 0 | 0 | 0 | 112.2 | | |
| 267 | T | 41.3 | Very low | 43 | Very low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | | | trans | -63.8 | 132.6 | 164 | -53.2 | 0 | 0 | 0 | 0 | 108 | | |
| 268 | G | 35.9 | Very low | 42.4 | Very low | 57 Ų | 57 | 131.1 Ų | 131.1 | 59% | 0.588 | 78% | 0.776 | S | S | * | * | | | trans | -83.4 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 269 | Y | 38.3 | Very low | 42.1 | Very low | 238 Ų | 238 | 134.1 Ų | 134.1 | 93% | 0.933 | 79% | 0.785 | S | S | * | * | | | trans | -151.1 | 145.2 | 147.9 | -107.6 | -76.1 | 0 | 0 | 0 | 109.6 | | |
| 270 | A | 44.1 | Very low | 40.8 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | -104.4 | 144.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 271 | G | 36.2 | Very low | 40.1 | Very low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | trans | 171.1 | 141.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 272 | Q | 34.9 | Very low | 39.7 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | 48.2 | 127.7 | 143.6 | -100.2 | 63 | -11 | 0 | 0 | 122.3 | | |
| 273 | L | 43.4 | Very low | 39.5 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | trans | -76.9 | 148.2 | 148.7 | -64.8 | 164.1 | 0 | 0 | 0 | 110.4 | | |
| 274 | Q | 37.9 | Very low | 39.6 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | 178.8 | 120.3 | 133.9 | -77.2 | -115.2 | 14.4 | 0 | 0 | 105.6 | | |
| 275 | N | 35.7 | Very low | 39.5 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | | | | 61.4 | 92.4 | 66.6 | -173.3 | 55.7 | 0 | 0 | 0 | 114.9 | | |
| 276 | V | 35 | Very low | 39.9 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | | | trans | -143.2 | 145 | 142 | -85.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 277 | N | 37.6 | Very low | 40.5 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | -98.3 | 134.5 | 179.8 | -175.9 | 34.2 | 0 | 0 | 0 | 109.7 | | |
| 278 | S | 36.4 | Very low | 41.3 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -148.2 | 140.3 | 168.5 | -168.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 279 | L | 43.1 | Very low | 41.4 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | | | trans | -89.6 | 142.8 | -173 | -56.7 | 89.9 | 0 | 0 | 0 | 111.1 | | |
| 280 | S | 31.8 | Very low | 41.3 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | | | trans | -164.3 | 146.4 | 131.7 | -84.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 281 | Y | 40.1 | Very low | 41.2 | Very low | 220 Ų | 220 | 137.9 Ų | 137.9 | 86% | 0.863 | 79% | 0.786 | S | S | * | * | | | trans | -115.7 | 117.4 | -177.8 | -177.4 | -73.8 | 0 | 0 | 0 | 108.2 | | |
| 282 | D | 37.8 | Very low | 42.3 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | trans | -161.5 | 153.9 | 138.2 | -166.2 | 33.6 | 0 | 0 | 0 | 110.3 | | |
| 283 | A | 40.3 | Very low | 42.4 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | trans | -135.2 | 86.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111 | S285 | A283-S285 PolarHBondContact O-N 3.43Š|
| 284 | P | 43.7 | Very low | 42.5 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 129 | -177.4 | 27.6 | -34.4 | 0 | 0 | 0 | 111.7 | | |
| 285 | S | 46 | Very low | 42.8 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 146.7 | 173.4 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | A283 | A283-S285 PolarHBondContact O-N 3.43Š|
| 286 | P | 56.2 | Low | 43 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 134.5 | 172.7 | 29.5 | -33.1 | 0 | 0 | 0 | 111 | | |
| 287 | P | 53.9 | Low | 43.6 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 158.3 | -175.6 | 33 | -36.5 | 0 | 0 | 0 | 113.7 | | |
| 288 | P | 58.8 | Low | 43.9 | Very low | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 133.2 | 179.4 | 35.4 | -32.5 | 0 | 0 | 0 | 113.9 | | |
| 289 | F | 37.5 | Very low | 44.3 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 87% | 0.873 | 74% | 0.742 | S | S | * | * | | | trans | -153.7 | 127.3 | 161.3 | -145.1 | -104.4 | 0 | 0 | 0 | 108.5 | | |
| 290 | A | 36.5 | Very low | 44.1 | Very low | 66 Ų | 66 | 131.5 Ų | 131.5 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | | | cis | 95.6 | 67.2 | 32.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 291 | K | 41.5 | Very low | 44.3 | Very low | 207 Ų | 207 | 129.4 Ų | 129.4 | 90% | 0.9 | 73% | 0.733 | S | S | * | * | | | trans | 62.3 | 165.8 | 137 | -85 | -170.9 | 173.9 | -179.9 | 0 | 120 | | |
| 292 | P | 60.6 | Low | 44.2 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | | | trans | -113.4 | -178.1 | -155.4 | 43.4 | -36.4 | 0 | 0 | 0 | 114 | | |
| 293 | Q | 37.2 | Very low | 44.4 | Very low | 147 Ų | 147 | 129 Ų | 129 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | | | trans | -161.7 | 138.7 | 149.4 | -96.6 | -29.1 | -76.2 | 0 | 0 | 114.3 | | |
| 294 | Q | 45.2 | Very low | 44.2 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 62% | 0.621 | 74% | 0.743 | S | S | * | * | | | trans | 60.2 | 151.9 | 145.9 | -54 | -59.1 | -91.6 | 0 | 0 | 119.1 | | |
| 295 | N | 43.8 | Very low | 44.5 | Very low | 108 Ų | 108 | 130 Ų | 130 | 58% | 0.578 | 74% | 0.744 | S | S | * | * | | | cis | -167.5 | 168.3 | -6.9 | -108.6 | -5.4 | 0 | 0 | 0 | 109.2 | | |
| 296 | M | 40.7 | Very low | 44.6 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 58% | 0.581 | 75% | 0.753 | S | S | * | * | | | cis | -159.1 | -175.8 | -27.3 | -132.3 | -158.1 | -68.9 | 0 | 0 | 105.4 | | |
| 297 | Y | 47.8 | Very low | 43.6 | Very low | 198 Ų | 198 | 131.7 Ų | 131.7 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | cis | -112.9 | -163.6 | 10.1 | -69.6 | -89.5 | 0 | 0 | 0 | 109.2 | | |
| 298 | G | 42.3 | Very low | 42.7 | Very low | 61 Ų | 61 | 129.4 Ų | 129.4 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | | | cis | 83.6 | 138.7 | 15.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 299 | L | 45.1 | Very low | 41.5 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | | | cis | -131.9 | 179.8 | 3.4 | -59.1 | 174.6 | 0 | 0 | 0 | 108.7 | | |
| 300 | A | 40.1 | Very low | 41.8 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | | | cis | -146.4 | 170.4 | 10.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 301 | A | 35.5 | Very low | 42.3 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | | | trans | -145.8 | 149.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 302 | Y | 37.5 | Very low | 42.3 | Very low | 216 Ų | 216 | 128.8 Ų | 128.8 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | | | trans | -144.5 | 118.8 | 166.7 | -85.8 | -76.4 | 0 | 0 | 0 | 113 | | |
| 303 | T | 41.3 | Very low | 41.3 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | 48 | 116.6 | 142.2 | 57.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 304 | A | 37.3 | Very low | 41.2 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | | -178.2 | 129.4 | 118.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 305 | P | 49.6 | Very low | 40.7 | Very low | 119 Ų | 119 | 138 Ų | 138 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | -118.7 | 143.1 | 174.8 | 10.9 | 12.1 | 0 | 0 | 0 | 116.9 | | |
| 306 | L | 48 | Very low | 40.1 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | | | trans | 72.6 | 137.2 | 146.7 | -59.7 | 174.2 | 0 | 0 | 0 | 122.8 | | |
| 307 | G | 35.2 | Very low | 40.4 | Very low | 85 Ų | 85 | 144 Ų | 144 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | | | trans | 103.1 | 124.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 308 | G | 35.3 | Very low | 39.6 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | | | cis | 174.9 | -160 | -3.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 309 | C | 32.9 | Very low | 39.2 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 91% | 0.912 | 82% | 0.818 | S | S | * | * | | | trans | 78.7 | 132.3 | 163.3 | -55.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 310 | I | 43.7 | Very low | 38.6 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | | | trans | -117.2 | 146.9 | 167.3 | -69.6 | 171 | 0 | 0 | 0 | 107.6 | | |
| 311 | P | 48.2 | Very low | 38.3 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | | | trans | -139 | 141 | 133 | 31.2 | -15.8 | 0 | 0 | 0 | 114.4 | | |
| 312 | Q | 41.6 | Very low | 38.1 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | | | trans | -88.5 | 149.8 | 164.2 | -83.4 | -83.5 | -4.1 | 0 | 0 | 110.4 | | |
| 313 | Q | 39.8 | Very low | 37.9 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 69% | 0.687 | 81% | 0.812 | S | S | * | * | | | trans | -144.7 | 146.8 | 168.9 | -67.3 | -162.6 | 44.2 | 0 | 0 | 109.1 | | |
| 314 | K | 35.3 | Very low | 37.9 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | cis | -154.2 | 151.8 | -11.9 | -116.9 | 176.5 | -177.3 | 174 | 0 | 107.3 | | |
| 315 | R | 33.9 | Very low | 38.2 | Very low | 242 Ų | 242 | 147.4 Ų | 147.4 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | | | trans | -129 | 149.3 | 169.7 | -145.7 | 176.9 | -166.2 | 157.5 | 2 | 108 | | |
| 316 | Y | 30.3 | Very low | 37.8 | Very low | 232 Ų | 232 | 149.6 Ų | 149.6 | 91% | 0.91 | 80% | 0.799 | S | S | * | * | | | trans | -70.4 | 150.8 | -178.5 | -94.7 | -105.1 | 0 | 0 | 0 | 112.3 | | |
| 317 | P | 46.9 | Very low | 37.3 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -99.6 | 172 | -176.1 | 39.9 | -36.2 | 0 | 0 | 0 | 114.1 | | |
| 318 | G | 32 | Very low | 37 | Very low | 81 Ų | 81 | 149.6 Ų | 149.6 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | trans | 99.7 | 133.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 319 | S | 33.7 | Very low | 37 | Very low | 109 Ų | 109 | 154.2 Ų | 154.2 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | cis | -135.8 | 171.4 | 0.5 | 59.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 320 | E | 31.6 | Very low | 37 | Very low | 165 Ų | 165 | 151.5 Ų | 151.5 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | | | trans | -77.6 | 142.7 | -172.5 | 53.3 | -90.5 | 74.3 | 0 | 0 | 115.2 | | |
| 321 | Y | 33.9 | Very low | 36.4 | Very low | 227 Ų | 227 | 149.1 Ų | 149.1 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | | | | -159.2 | 151.5 | 119.2 | -140.2 | -97.9 | 0 | 0 | 0 | 111.4 | | |
| 322 | E | 31.9 | Very low | 35.9 | Very low | 140 Ų | 140 | 153.9 Ų | 153.9 | 65% | 0.654 | 79% | 0.791 | S | S | * | * | | | trans | -129.8 | 136.9 | -175.5 | -179.4 | 175.4 | 109.3 | 0 | 0 | 110.2 | H324 | E322-H324 IonicContact OE1-CD2 3.72Å; E322-H324 IonicContact OE1-CE1 3.53Å; E322-H324 IonicContact OE1-NE2 2.72Å; E322-H324 PolarHBondContact OE1-NE2 3.17Å |
| 323 | H | 34.4 | Very low | 35.6 | Very low | 179 Ų | 179 | 150 Ų | 150 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | | | trans | -149.7 | 143 | 152.5 | -155.5 | -85.1 | 0 | 0 | 0 | 111.9 | | |
| 324 | H | 40.5 | Very low | 35.3 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | | | trans | -85.2 | 171.7 | -172.7 | -67.1 | -76.8 | 0 | 0 | 0 | 113.5 | E322 | E322-H324 IonicContact OE1-CD2 3.72Å; E322-H324 IonicContact OE1-CE1 3.53Å; E322-H324 IonicContact OE1-NE2 2.72Å; E322-H324 PolarHBondContact OE1-NE2 3.17Å |
| 325 | S | 43.6 | Very low | 35.2 | Very low | 97 Ų | 97 | 146.5 Ų | 146.5 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | | | trans | -108.7 | 172.7 | -177.9 | 63.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 326 | M | 41 | Very low | 35 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | | | trans | 94 | 158 | 163.6 | -60.2 | -65.1 | 165.6 | 0 | 0 | 120.3 | | |
| 327 | Q | 36.9 | Very low | 35.9 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | 83 | 84.9 | 160.3 | -115.1 | 70.6 | 39.2 | 0 | 0 | 121.3 | | |
| 328 | S | 29.7 | Very low | 35.4 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | | | | 60 | 145.1 | 114.2 | -153.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 329 | N | 35.6 | Very low | 35.4 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | | | trans | 74.4 | 141.9 | 154 | -90.9 | -6.2 | 0 | 0 | 0 | 121.2 | | |
| 330 | G | 31.8 | Very low | 35.4 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | 131.3 | 87.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 331 | S | 32.7 | Very low | 36.5 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -84.7 | 139.4 | 170.1 | -49.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 332 | F | 37.7 | Very low | 36.7 | Very low | 213 Ų | 213 | 133.2 Ų | 133.2 | 93% | 0.934 | 78% | 0.777 | S | S | * | * | | | trans | -157.6 | 138.8 | 147.9 | -71.1 | -57.2 | 0 | 0 | 0 | 113.9 | | |
| 333 | A | 34.5 | Very low | 37.1 | Very low | 97 Ų | 97 | 137 Ų | 137 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | 46.8 | 85.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 334 | N | 33.2 | Very low | 37.2 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | | | | 48.5 | 115.7 | 105.3 | -149.6 | -8.6 | 0 | 0 | 0 | 123.2 | | |
| 335 | A | 33.3 | Very low | 36.9 | Very low | 97 Ų | 97 | 131 Ų | 131 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | 174.2 | 151.8 | 134 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 336 | N | 30.8 | Very low | 36.4 | Very low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | | | cis | -165.9 | 179.5 | -24.8 | -171.3 | -5.2 | 0 | 0 | 0 | 105.6 | | |
| 337 | L | 47.4 | Very low | 36.3 | Very low | 158 Ų | 158 | 130 Ų | 130 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | 81.5 | 100.9 | -177 | -56 | 152.8 | 0 | 0 | 0 | 113.5 | | |
| 338 | Q | 37.3 | Very low | 36.6 | Very low | 180 Ų | 180 | 131 Ų | 131 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | | | | 86.1 | 131.4 | 56.9 | -72.8 | -75.9 | 5.6 | 0 | 0 | 114.1 | | |
| 339 | G | 31.3 | Very low | 37.4 | Very low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | 116.3 | 91 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 340 | S | 35.3 | Very low | 37.6 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | trans | -109.4 | 155.1 | 149 | -168.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 341 | P | 54 | Low | 37.8 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | | -141 | 161.4 | 99.4 | 37.9 | -25.4 | 0 | 0 | 0 | 115.1 | | |
| 342 | V | 38.3 | Very low | 38.1 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 70% | 0.697 | 80% | 0.799 | S | S | * | * | | | trans | -70.9 | 150.1 | 167.5 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | V344 | V342-V344 HydrophobicContact CG1-CG2 3.78Š|
| 343 | Y | 40.6 | Very low | 38.9 | Very low | 219 Ų | 219 | 132 Ų | 132 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | | | trans | -123.6 | 146 | 156.8 | -155.3 | -92.3 | 0 | 0 | 0 | 111 | | |
| 344 | V | 36.8 | Very low | 39 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | | | trans | -134.7 | 139.3 | -171.3 | 160.1 | 0 | 0 | 0 | 0 | 110.6 | V342 | V342-V344 HydrophobicContact CG1-CG2 3.78Š|
| 345 | G | 32.7 | Very low | 39.5 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | 88.1 | 149.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 346 | G | 32.8 | Very low | 39.8 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | 160.7 | 48.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 347 | N | 39.3 | Very low | 40.9 | Very low | 162 Ų | 162 | 128 Ų | 128 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | | | trans | -67.9 | 134.4 | 163.8 | -86.3 | 10.4 | 0 | 0 | 0 | 108.9 | | |
| 348 | F | 44.2 | Very low | 40.9 | Very low | 192 Ų | 192 | 128.5 Ų | 128.5 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | | | trans | -130.1 | 120.1 | 153.4 | -102.4 | -88.6 | 0 | 0 | 0 | 110.4 | | |
| 349 | V | 46.3 | Very low | 41.2 | Very low | 131 Ų | 131 | 130 Ų | 130 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | -90.6 | 145.8 | 154.6 | -74.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 350 | D | 38.7 | Very low | 41.4 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -144.3 | 161.6 | 159 | -140.4 | -53 | 0 | 0 | 0 | 110.1 | | |
| 351 | S | 35.8 | Very low | 41.6 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | | | trans | -119.8 | 160.4 | -156 | -62.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 352 | M | 40.3 | Very low | 40.7 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | | | trans | -57.8 | 151.4 | 162.6 | -107.3 | 71.1 | -175.4 | 0 | 0 | 111.2 | | |
| 353 | P | 53.9 | Low | 40.9 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | | | | -117.5 | 155.8 | 119.5 | 34.2 | -33.3 | 0 | 0 | 0 | 111.7 | | |
| 354 | A | 37.6 | Very low | 40.8 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | | | trans | -107.2 | 142.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 355 | S | 43.8 | Very low | 41.4 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | trans | -154.1 | 136 | 161.5 | 48.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 356 | G | 38.5 | Very low | 41.8 | Very low | 67 Ų | 67 | 140.8 Ų | 140.8 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | | | trans | -80.7 | -179.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 357 | P | 54.2 | Low | 42.8 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | | | | -139.1 | -179.2 | 76 | 38.8 | -25 | 0 | 0 | 0 | 115.2 | | |
| 358 | M | 46.6 | Very low | 42.6 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 84% | 0.837 | 82% | 0.815 | S | S | * | * | | | trans | -72.5 | 147.1 | 179.3 | -43.2 | 167.9 | -166 | 0 | 0 | 111.7 | | |
| 359 | F | 43.6 | Very low | 42.6 | Very low | 212 Ų | 212 | 137.4 Ų | 137.4 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | | | trans | -138.7 | 144.3 | 137.5 | -76.4 | -68.1 | 0 | 0 | 0 | 110 | | |
| 360 | N | 35.6 | Very low | 42.4 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | | | trans | -138.4 | 113.6 | -170.8 | 167.1 | 22.2 | 0 | 0 | 0 | 108.7 | | |
| 361 | L | 39.3 | Very low | 42.6 | Very low | 178 Ų | 178 | 135 Ų | 135 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | | | trans | -169.2 | 154.8 | 162.8 | -134.4 | 68.3 | 0 | 0 | 0 | 110.9 | | |
| 362 | G | 36.5 | Very low | 43.2 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | | | trans | 110 | 66.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 363 | H | 42.6 | Very low | 43.2 | Very low | 188 Ų | 188 | 134 Ų | 134 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | | | trans | -69.5 | 140.1 | 157.5 | -73.2 | -109.4 | 0 | 0 | 0 | 110.5 | | |
| 364 | L | 38.8 | Very low | 42.4 | Very low | 171 Ų | 171 | 138 Ų | 138 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | | | trans | -156.6 | 149.5 | 141.4 | -127.8 | 92 | 0 | 0 | 0 | 109.1 | | |
| 365 | P | 49.3 | Very low | 42.7 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 157.8 | -162.8 | 36.6 | -35.1 | 0 | 0 | 0 | 115.1 | | |
| 366 | H | 41 | Very low | 42.4 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 132.3 | 162.7 | -60.7 | -87.2 | 0 | 0 | 0 | 110.9 | | |
| 367 | P | 52 | Low | 42.3 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 130 | 153.7 | 31.3 | -30.1 | 0 | 0 | 0 | 109.3 | | |
| 368 | S | 35.8 | Very low | 41.4 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 152 | 177.1 | 35.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 369 | S | 44.2 | Very low | 41 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 133 | 174.9 | 35.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 370 | T | 42 | Very low | 41 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | | | trans | -113.6 | 157.2 | 167.7 | 47.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 371 | S | 42.8 | Very low | 41.6 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | | | trans | -79.2 | 153.7 | -170.8 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | D373 | S371-D373 VanDerWaalsContact CB-OD2 3.29Å; S371-D373 WeakPolarHBondContact CB-OD2 3.35Å; S371-D373 PolarHBondContact OG-OD2 3.06Å |
| 372 | V | 49.3 | Very low | 41.4 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | | | trans | -135 | 71.4 | 168.9 | -163.6 | 0 | 0 | 0 | 0 | 108.6 | Y374 | V372-Y374 HydrophobicContact CG1-CD2 4.29Å; V372-Y374 PolarHBondContact O-N 2.86Å; V372-Y374 VanDerWaalsContact O-N 3.15Å |
| 373 | D | 39.6 | Very low | 41.5 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -72.9 | 101 | 179.1 | -64.6 | -74.9 | 0 | 0 | 0 | 110.8 | S371 S375 | S371-D373 VanDerWaalsContact CB-OD2 3.29Å; S371-D373 WeakPolarHBondContact CB-OD2 3.35Å; S371-D373 PolarHBondContact OG-OD2 3.06Å; D373-S375 PolarHBondContact O-N 2.87Å |
| 374 | Y | 38.5 | Very low | 41.7 | Very low | 210 Ų | 210 | 131.9 Ų | 131.9 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | -79.1 | 80.1 | -177.1 | -125 | -89.9 | 0 | 0 | 0 | 111.9 | V372 | V372-Y374 HydrophobicContact CG1-CD2 4.29Å; V372-Y374 PolarHBondContact O-N 2.86Å; V372-Y374 VanDerWaalsContact O-N 3.15Å |
| 375 | S | 42.8 | Very low | 41.8 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -105.8 | 119.6 | 168.4 | -70.7 | 0 | 0 | 0 | 0 | 110.9 | D373 | D373-S375 PolarHBondContact O-N 2.87Š|
| 376 | C | 37.3 | Very low | 41.4 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | trans | -133.5 | 113.3 | 170.7 | 54.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 377 | A | 37.1 | Very low | 41.1 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -158.3 | 154 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 378 | A | 35.9 | Very low | 41.5 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | trans | 68.7 | 147.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 379 | Q | 37.2 | Very low | 41.5 | Very low | 192 Ų | 192 | 129.9 Ų | 129.9 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | | | cis | -154.2 | 175.8 | -6.5 | -124.2 | 158.2 | -5.4 | 0 | 0 | 111.7 | | |
| 380 | I | 44.2 | Very low | 41.4 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 80% | 0.795 | 78% | 0.778 | S | S | * | * | | | trans | -104.6 | 163.3 | -174.5 | -15.3 | 177.6 | 0 | 0 | 0 | 111.9 | | |
| 381 | P | 46.7 | Very low | 42.1 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | | -134.5 | 159.3 | 95.7 | 35.5 | -22.9 | 0 | 0 | 0 | 112.2 | | |
| 382 | G | 37 | Very low | 42.1 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | cis | 107.6 | 137.3 | 38.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 383 | N | 38.3 | Very low | 42.3 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | cis | -163.3 | 178.3 | 3.8 | -165.8 | 8.3 | 0 | 0 | 0 | 110.5 | | |
| 384 | H | 45.2 | Very low | 42.4 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | 77.1 | 165.3 | 165.7 | -52.3 | -37.6 | 0 | 0 | 0 | 120 | | |
| 385 | H | 42.8 | Very low | 42.3 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 65% | 0.648 | 78% | 0.776 | S | S | * | * | | | | -174.8 | 143.6 | -60.2 | -118.3 | -65.7 | 0 | 0 | 0 | 111.6 | | |
| 386 | H | 40.6 | Very low | 42.7 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | | | trans | 66.9 | 154.5 | 174.3 | -40 | -69.5 | 0 | 0 | 0 | 115.9 | | |
| 387 | G | 35 | Very low | 42.9 | Very low | 71 Ų | 71 | 132.1 Ų | 132.1 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | cis | -163.7 | 178.4 | -3.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 388 | P | 58.8 | Low | 43.3 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | | | trans | -106.8 | 140.3 | -166.1 | 37.1 | -30.8 | 0 | 0 | 0 | 115.7 | | |
| 389 | C | 36.6 | Very low | 43.5 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 95% | 0.946 | 77% | 0.767 | S | S | * | * | | | trans | -154.9 | 134.5 | 163.1 | -88.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 390 | D | 42.1 | Very low | 43.5 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | | | trans | -119.2 | 144.6 | 160.1 | -145.4 | -44.3 | 0 | 0 | 0 | 104.8 | H392 | D390-H392 PolarHBondContact OD1-N 3.44Å; D390-H392 VanDerWaalsContact OD1-N 3.13Å |
| 391 | P | 57 | Low | 43.4 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | | | | -148.7 | 143.2 | 88.5 | 36.5 | -18 | 0 | 0 | 0 | 116.4 | | |
| 392 | H | 42.6 | Very low | 43.1 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | | 27.9 | 126 | 128.4 | -118.3 | -61.8 | 0 | 0 | 0 | 120.7 | D390 | D390-H392 PolarHBondContact OD1-N 3.44Å; D390-H392 VanDerWaalsContact OD1-N 3.13Å |
| 393 | P | 53.8 | Low | 43.2 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | -99.7 | 168.1 | 143.7 | 36.2 | -31.3 | 0 | 0 | 0 | 112.1 | | |
| 394 | T | 40.6 | Very low | 43.3 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | trans | -138.4 | 143.1 | -164.8 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 395 | Y | 37.7 | Very low | 43.2 | Very low | 190 Ų | 190 | 137 Ų | 137 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | | | trans | 68.6 | 115 | 155.8 | -126.7 | -95.7 | 0 | 0 | 0 | 121 | D397 | Y395-D397 HydrophobicContact CD1-CB 4.02Å; Y395-D397 HydrophobicContact CE1-CB 4.01Å |
| 396 | T | 51.3 | Low | 43.3 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | trans | -164.7 | 115.6 | 137.9 | -14.9 | 0 | 0 | 0 | 0 | 105.5 | | |
| 397 | D | 39.8 | Very low | 43.3 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 58% | 0.578 | 78% | 0.781 | S | S | * | * | | | cis | 104.8 | 141.4 | 31.6 | -162.5 | 14.1 | 0 | 0 | 0 | 112.4 | Y395 | Y395-D397 HydrophobicContact CD1-CB 4.02Å; Y395-D397 HydrophobicContact CE1-CB 4.01Å |
| 398 | L | 46.2 | Very low | 44 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | trans | 62 | 122.9 | -176.5 | -49.8 | 179.4 | 0 | 0 | 0 | 116.4 | | |
| 399 | T | 39.3 | Very low | 43.3 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | cis | 80.9 | 104.6 | 43.6 | -60.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 400 | S | 37.3 | Very low | 43.5 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | 172.1 | 134.9 | 131.6 | -80.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 401 | H | 43.1 | Very low | 43.9 | Very low | 164 Ų | 164 | 142 Ų | 142 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | 36.6 | 149.5 | 131.1 | -63.7 | -88.8 | 0 | 0 | 0 | 122.2 | | |
| 402 | Q | 41.2 | Very low | 44.3 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | cis | -173.2 | 156.3 | -8.2 | 165.9 | 167.2 | -33.5 | 0 | 0 | 111.6 | | |
| 403 | V | 38.6 | Very low | 44.9 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -8.7 | 130.3 | 161.9 | 177 | 0 | 0 | 0 | 0 | 119 | | |
| 404 | S | 39 | Very low | 45 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | -161.6 | 160.6 | 129 | -155.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 405 | Q | 43.1 | Very low | 46.5 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -65.6 | 156.8 | -165.5 | -56.9 | 175.9 | -0.1 | 0 | 0 | 116.3 | | |
| 406 | G | 45.8 | Very low | 47.6 | Very low | 81 Ų | 81 | 145.8 Ų | 145.8 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -94.7 | -172.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 407 | R | 39.7 | Very low | 47.3 | Very low | 243 Ų | 243 | 150.5 Ų | 150.5 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | | | trans | -147.2 | 162.5 | 171.2 | -162.4 | 164.7 | -178.2 | 152.9 | -0.1 | 111 | | |
| 408 | I | 49.8 | Very low | 47.6 | Very low | 142 Ų | 142 | 152.7 Ų | 152.7 | 73% | 0.728 | 82% | 0.819 | S | S | * | * | | | trans | -106.8 | 166.3 | -170.8 | 41.9 | 169 | 0 | 0 | 0 | 113.7 | | |
| 409 | Q | 44.2 | Very low | 47.7 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | | | trans | 87.5 | 150.3 | 176.2 | -50.5 | 158.6 | 118.9 | 0 | 0 | 114 | | |
| 410 | E | 41.3 | Very low | 48.2 | Very low | 189 Ų | 189 | 155.1 Ų | 155.1 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | | | cis | -125 | 176.6 | 6.3 | -81.2 | -165.6 | 120 | 0 | 0 | 113.4 | | |
| 411 | A | 51.3 | Low | 48.8 | Very low | 86 Ų | 86 | 158.2 Ų | 158.2 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | | | trans | -110.5 | 142.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 412 | P | 65.8 | Low | 49.2 | Very low | 132 Ų | 132 | 157.8 Ų | 157.8 | 86% | 0.857 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 138 | 173.5 | -21 | 33.5 | 0 | 0 | 0 | 112.6 | | |
| 413 | K | 54.3 | Low | 49.7 | Very low | 198 Ų | 198 | 157.7 Ų | 157.7 | 86% | 0.861 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 136.3 | 178.4 | -74.4 | 173.6 | -179.6 | 170.2 | 0 | 112 | | |
| 414 | L | 56.8 | Low | 50.5 | Low | 172 Ų | 172 | 159.6 Ų | 159.6 | 90% | 0.901 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 141.9 | 159 | -138.9 | 77.8 | 0 | 0 | 0 | 109.2 | | |
| 415 | T | 71.1 | Confident | 51.4 | Low | 108 Ų | 108 | 162.9 Ų | 162.9 | 66% | 0.663 | 85% | 0.851 | S | S | * | * | | | trans | -136.4 | 125.1 | 174.4 | 54.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 416 | H | 60.6 | Low | 52.1 | Low | 171 Ų | 171 | 161.1 Ų | 161.1 | 79% | 0.792 | 85% | 0.85 | S | S | * | * | | | trans | 66.5 | 140.8 | -174.1 | -57.2 | -80.9 | 0 | 0 | 0 | 115.2 | | |
| 417 | L | 44.4 | Very low | 52.7 | Low | 242 Ų | 242 | 168.4 Ų | 168.4 | 100% | 1.267 | 85% | 0.852 | S | S | * | * | | | cis | -107.7 | 0 | -6.3 | -77.4 | 97.6 | 0 | 0 | 0 | 111.6 | | |