| 1 | M | 49.7 | Very low | 54.9 | Low | 227 Ų | 227 | 165.1 Ų | 165.1 | 100% | 1.118 | 86% | 0.86 | S | S | * | * | | | | 0 | 127.3 | 0 | -69.3 | 64.9 | 167.1 | 0 | 0 | 107 | | |
| 2 | D | 42.9 | Very low | 54.8 | Low | 165 Ų | 165 | 162.1 Ų | 162.1 | 88% | 0.882 | 86% | 0.858 | S | S | * | * | | | trans | -74.5 | 132.8 | 176.2 | -92.6 | -111.2 | 0 | 0 | 0 | 111.3 | | |
| 3 | V | 57.4 | Low | 54.1 | Low | 134 Ų | 134 | 157.3 Ų | 157.3 | 81% | 0.812 | 86% | 0.855 | S | S | * | * | | | trans | -104.8 | 98.3 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 4 | R | 60.9 | Low | 52.9 | Low | 220 Ų | 220 | 152.4 Ų | 152.4 | 83% | 0.83 | 85% | 0.846 | S | S | * | * | | | trans | -73.6 | 133 | 176.8 | -83.6 | -179.1 | 165.3 | 171.8 | -5.4 | 111.3 | | |
| 5 | F | 51.4 | Low | 52.3 | Low | 205 Ų | 205 | 148.4 Ų | 148.4 | 90% | 0.899 | 84% | 0.841 | S | S | * | * | | | trans | -67.1 | 147.7 | 168 | -87.7 | -110.2 | 0 | 0 | 0 | 111.6 | | |
| 6 | Y | 60.6 | Low | 52.4 | Low | 209 Ų | 209 | 147.6 Ų | 147.6 | 82% | 0.82 | 84% | 0.843 | S | S | * | * | | | trans | -129.4 | 134.2 | 164.8 | -94.7 | -88.9 | 0 | 0 | 0 | 109.8 | | |
| 7 | P | 65.8 | Low | 51.7 | Low | 112 Ų | 112 | 148.3 Ų | 148.3 | 73% | 0.727 | 84% | 0.844 | S | S | * | * | | | trans | -91.2 | 149.4 | 176.7 | 35.1 | -33.6 | 0 | 0 | 0 | 112.8 | | |
| 8 | P | 63.6 | Low | 51 | Low | 119 Ų | 119 | 144.8 Ų | 144.8 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | | | trans | -78.8 | 161.1 | 169.3 | 32.8 | -34.2 | 0 | 0 | 0 | 112.9 | | |
| 9 | P | 54.8 | Low | 51 | Low | 135 Ų | 135 | 143.3 Ų | 143.3 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | | | trans | -87.3 | 175.7 | -168.7 | 35.4 | -37.7 | 0 | 0 | 0 | 115.8 | | |
| 10 | A | 46 | Very low | 50.5 | Low | 101 Ų | 101 | 142.2 Ų | 142.2 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | | | trans | -91.4 | 173.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 11 | Q | 51.1 | Low | 49.8 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | | | trans | -120.9 | 154 | 167 | -70.7 | -168.7 | -13 | 0 | 0 | 111.5 | | |
| 12 | P | 53.3 | Low | 49.1 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | | | trans | -95.2 | 171.7 | -173.6 | 37.6 | -36.6 | 0 | 0 | 0 | 115.8 | | |
| 13 | A | 45.5 | Very low | 49.1 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | | | trans | -89.1 | -175.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 14 | A | 37.3 | Very low | 48.2 | Very low | 88 Ų | 88 | 133.3 Ų | 133.3 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | cis | -152.1 | 161.2 | 11 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 15 | A | 44.2 | Very low | 47.5 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | | 53 | 153.5 | 96.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 16 | P | 53.7 | Low | 46.8 | Very low | 135 Ų | 135 | 124.1 Ų | 124.1 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | cis | -130.9 | -141.8 | 6.4 | 43.8 | -24.4 | 0 | 0 | 0 | 114.3 | | |
| 17 | D | 40.7 | Very low | 45.6 | Very low | 160 Ų | 160 | 122.2 Ų | 122.2 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | trans | -131.8 | 167.6 | -157.4 | -143.3 | -55 | 0 | 0 | 0 | 115.5 | | |
| 18 | A | 39.5 | Very low | 44.2 | Very low | 85 Ų | 85 | 123.9 Ų | 123.9 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | | | trans | 66 | 164.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 19 | P | 50.2 | Low | 43.2 | Very low | 116 Ų | 116 | 123 Ų | 123 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | cis | -133.1 | 173.9 | 1.2 | 43.4 | -27.4 | 0 | 0 | 0 | 117.7 | | |
| 20 | C | 40.7 | Very low | 42.1 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 10.5 | 133.8 | 158.5 | -57.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 21 | L | 36.8 | Very low | 41.6 | Very low | 180 Ų | 180 | 131.7 Ų | 131.7 | 94% | 0.942 | 80% | 0.798 | S | S | * | * | | | | -171.2 | 159.3 | 120.4 | -102.1 | 169.8 | 0 | 0 | 0 | 111.8 | | |
| 22 | G | 34.6 | Very low | 40.8 | Very low | 62 Ų | 62 | 127.6 Ų | 127.6 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | | | trans | -97 | -174.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 23 | P | 42.6 | Very low | 39.8 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | | | cis | -131.9 | -178.2 | 24.6 | 42.6 | -27 | 0 | 0 | 0 | 116.8 | | |
| 24 | S | 39.5 | Very low | 39.4 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -38.9 | 153.6 | 162.9 | -76.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 25 | P | 46.3 | Very low | 39 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | | | | -142.6 | 164.3 | 55.4 | 41.1 | -23.4 | 0 | 0 | 0 | 119.5 | | |
| 26 | C | 35.8 | Very low | 38.5 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | 50 | 110.9 | 160.1 | -59 | 0 | 0 | 0 | 0 | 117.4 | | |
| 27 | L | 35.1 | Very low | 37.5 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | | | | -158.3 | 156.2 | 70.3 | -92.5 | 164.7 | 0 | 0 | 0 | 114 | | |
| 28 | D | 37.2 | Very low | 37.4 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | 50.9 | 102 | 152.9 | -148.8 | -5 | 0 | 0 | 0 | 120.7 | | |
| 29 | P | 41.5 | Very low | 37.6 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | | | trans | -122.4 | 118.9 | 170.2 | 27.7 | -7.7 | 0 | 0 | 0 | 114.7 | | |
| 30 | Y | 33.3 | Very low | 36.8 | Very low | 216 Ų | 216 | 143.8 Ų | 143.8 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | | | trans | 72.2 | 160.9 | 152.7 | -60.6 | -60.7 | 0 | 0 | 0 | 117.5 | | |
| 31 | Y | 34.8 | Very low | 36.5 | Very low | 202 Ų | 202 | 147.8 Ų | 147.8 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | cis | -151.5 | 179.1 | 21.5 | -159.6 | -137 | 0 | 0 | 0 | 113.6 | | |
| 32 | C | 34.7 | Very low | 36.5 | Very low | 102 Ų | 102 | 146 Ų | 146 | 69% | 0.689 | 78% | 0.781 | S | S | * | * | | | trans | -61.3 | 140.5 | 172.1 | -60 | 0 | 0 | 0 | 0 | 112.2 | | |
| 33 | N | 31.7 | Very low | 36.4 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | trans | -109.9 | 135.2 | 159 | -88.5 | -63 | 0 | 0 | 0 | 111.3 | | |
| 34 | K | 37.3 | Very low | 36 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | -119.9 | 158.8 | 166.1 | -85.6 | -172.1 | 174.8 | -176.5 | 0 | 107.3 | | |
| 35 | F | 29.9 | Very low | 36 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 76.1 | 135 | 163.1 | -102.7 | -103.3 | 0 | 0 | 0 | 117.7 | | |
| 36 | D | 32.5 | Very low | 35.5 | Very low | 147 Ų | 147 | 151.9 Ų | 151.9 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | trans | 47.2 | 166.9 | 152.3 | -70.8 | -152.4 | 0 | 0 | 0 | 121.6 | | |
| 37 | G | 33.2 | Very low | 35.7 | Very low | 69 Ų | 69 | 151.9 Ų | 151.9 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | 118.4 | 70.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 38 | E | 39.1 | Very low | 35.6 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -59.9 | 162.3 | 149.9 | 53 | -118.6 | 59.3 | 0 | 0 | 112.3 | | |
| 39 | N | 42 | Very low | 35.5 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | 67.5 | 105.1 | -173.6 | -82.3 | -45 | 0 | 0 | 0 | 117.8 | | |
| 40 | M | 33.9 | Very low | 35.1 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -160.4 | 95.6 | 132.8 | -110.3 | -58 | -157.5 | 0 | 0 | 110.3 | M42 | M40-M42 HydrophobicContact CE-SD 3.94Å; M40-M42 HydrophobicContact SD-CG 4.03Å; M40-M42 HydrophobicContact SD-SD 4.05Å |
| 41 | Y | 34.6 | Very low | 35.3 | Very low | 206 Ų | 206 | 152.1 Ų | 152.1 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | trans | -107.1 | 103.3 | 167 | 178.6 | -97.1 | 0 | 0 | 0 | 109.1 | | |
| 42 | M | 37.4 | Very low | 35.3 | Very low | 141 Ų | 141 | 149 Ų | 149 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | | | trans | -146.5 | 147.2 | 173 | -77.4 | -169 | 73.6 | 0 | 0 | 107.6 | M40 | M40-M42 HydrophobicContact CE-SD 3.94Å; M40-M42 HydrophobicContact SD-CG 4.03Å; M40-M42 HydrophobicContact SD-SD 4.05Å |
| 43 | S | 33.1 | Very low | 35.8 | Very low | 82 Ų | 82 | 148.8 Ų | 148.8 | 57% | 0.573 | 78% | 0.779 | S | S | * | * | | | cis | -156.2 | 143.4 | -16.6 | -86.6 | 0 | 0 | 0 | 0 | 107 | | |
| 44 | M | 33.2 | Very low | 36.3 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 119.6 | 171.9 | -71.2 | -72.3 | -79.1 | 0 | 0 | 109.1 | | |
| 45 | T | 39.1 | Very low | 36.5 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 141.6 | -173 | -48.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 46 | E | 36.1 | Very low | 36.6 | Very low | 147 Ų | 147 | 142 Ų | 142 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 142.1 | 174.8 | -177.4 | -169.2 | 129.7 | 0 | 0 | 113.4 | | |
| 47 | P | 39.5 | Very low | 36.9 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | | | trans | -109.9 | 102.8 | 159.2 | 34.6 | -23.9 | 0 | 0 | 0 | 112.4 | | |
| 48 | S | 32.9 | Very low | 36.8 | Very low | 113 Ų | 113 | 147.8 Ų | 147.8 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | 45.4 | 121.2 | 150.7 | -55.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 49 | Q | 36.4 | Very low | 37 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -68.7 | 151.1 | 162.2 | -58.5 | 173.8 | -0.6 | 0 | 0 | 113 | | |
| 50 | D | 32.6 | Very low | 36.7 | Very low | 163 Ų | 163 | 141 Ų | 141 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | | | trans | -135.1 | 156.8 | 154 | -152.1 | -49.8 | 0 | 0 | 0 | 108.6 | | |
| 51 | Y | 38.1 | Very low | 37.1 | Very low | 193 Ų | 193 | 139.2 Ų | 139.2 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | | | trans | -137.9 | 111.3 | -151.4 | -173.2 | -81.8 | 0 | 0 | 0 | 113.9 | | |
| 52 | V | 34.8 | Very low | 37.5 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | trans | -142.8 | 135.2 | 170.1 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 53 | P | 45.1 | Very low | 37.6 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 63% | 0.63 | 78% | 0.78 | S | S | * | * | | | trans | -101.7 | 153.5 | -168 | 37.8 | -35.9 | 0 | 0 | 0 | 116.5 | | |
| 54 | A | 41.2 | Very low | 37.8 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | | | trans | 57.8 | 136.4 | 145.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 55 | S | 42.3 | Very low | 38.6 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | 72.2 | 104.1 | 159.6 | 70.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 56 | Q | 32.5 | Very low | 38.8 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | | -170.1 | 162.8 | 104.8 | -102.4 | 170.2 | 97.2 | 0 | 0 | 111.9 | | |
| 57 | S | 36.9 | Very low | 39.4 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -88.2 | 147.7 | -171.9 | -49.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 58 | Y | 31 | Very low | 39.9 | Very low | 235 Ų | 235 | 139.8 Ų | 139.8 | 92% | 0.922 | 78% | 0.781 | S | S | * | * | | | trans | -150.7 | 131 | 140.5 | -97.4 | -73.9 | 0 | 0 | 0 | 110.1 | | |
| 59 | P | 45.3 | Very low | 40.7 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -88 | 128.8 | 176.6 | 33 | -31.6 | 0 | 0 | 0 | 111.7 | | |
| 60 | G | 35.8 | Very low | 41.4 | Very low | 67 Ų | 67 | 139.6 Ų | 139.6 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 143.6 | 163 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 61 | P | 42 | Very low | 42.2 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133 | -179.5 | 29.3 | -34.1 | 0 | 0 | 0 | 111.3 | | |
| 62 | S | 41.7 | Very low | 43 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | -86 | 112.6 | 168.6 | -168.3 | 0 | 0 | 0 | 0 | 108.9 | E64 | S62-E64 PolarHBondContact O-N 3.04Š|
| 63 | L | 40.7 | Very low | 43.5 | Very low | 163 Ų | 163 | 134 Ų | 134 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | trans | -81.9 | 87.8 | 168.6 | -90.5 | 167.3 | 0 | 0 | 0 | 108.9 | | |
| 64 | E | 37.7 | Very low | 43.8 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -92 | 134.7 | 168.4 | -174.3 | 161.2 | 58.6 | 0 | 0 | 110 | S62 | S62-E64 PolarHBondContact O-N 3.04Š|
| 65 | S | 48.4 | Very low | 44.3 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | 54.4 | 89.7 | 171.7 | 56.7 | 0 | 0 | 0 | 0 | 118 | | |
| 66 | E | 44.9 | Very low | 44.5 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | | | trans | -92.5 | 111 | 139.6 | -80.7 | -170.3 | 86.2 | 0 | 0 | 108.8 | F68 | E66-F68 PolarHBondContact O-N 3.08Š|
| 67 | D | 47.3 | Very low | 44.9 | Very low | 127 Ų | 127 | 133 Ų | 133 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | | | trans | -75 | 99.3 | 178.7 | -177.8 | -107 | 0 | 0 | 0 | 110.2 | N69 | D67-N69 VanDerWaalsContact C-N 3.29Å; D67-N69 PolarHBondContact O-N 3.38Å; D67-N69 PolarHBondContact OD1-ND2 2.76Å |
| 68 | F | 49.7 | Very low | 45.3 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 77% | 0.772 | 77% | 0.771 | S | S | * | * | | | trans | -71.5 | 90.3 | 168.8 | -89.9 | -90.2 | 0 | 0 | 0 | 109.5 | E66 I70 | E66-F68 PolarHBondContact O-N 3.08Å; F68-I70 VanDerWaalsContact C-N 3.32Å; F68-I70 PolarHBondContact O-N 3.36Å |
| 69 | N | 50.3 | Low | 46.1 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | -67.8 | 84.2 | -179.2 | -143 | -96.6 | 0 | 0 | 0 | 110.7 | D67 P71 | D67-N69 VanDerWaalsContact C-N 3.29Å; D67-N69 PolarHBondContact O-N 3.38Å; D67-N69 PolarHBondContact OD1-ND2 2.76Å; N69-P71 VanDerWaalsContact O-CD 3.31Å; N69-P71 WeakPolarHBondContact O-CD 3.44Å |
| 70 | I | 51.3 | Low | 45.5 | Very low | 143 Ų | 143 | 130 Ų | 130 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | trans | -73.4 | 115 | 177.1 | -61.4 | 169.4 | 0 | 0 | 0 | 108.4 | F68 | F68-I70 VanDerWaalsContact C-N 3.32Å; F68-I70 PolarHBondContact O-N 3.36Å |
| 71 | P | 48.9 | Very low | 45.6 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | | | trans | -66.7 | 143 | 176.6 | 28.3 | -34.3 | 0 | 0 | 0 | 110.4 | N69 I73 | N69-P71 VanDerWaalsContact O-CD 3.31Å; N69-P71 WeakPolarHBondContact O-CD 3.44Å; P71-I73 PolarHBondContact O-N 3.41Å |
| 72 | P | 55 | Low | 45.3 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | | | trans | -63.2 | 136.6 | -179.1 | 26.2 | -34.4 | 0 | 0 | 0 | 111.3 | T74 | P72-T74 PolarHBondContact O-N 3.38Š|
| 73 | I | 45.9 | Very low | 45 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | | | trans | -76.6 | 89.6 | -179.6 | -57.1 | 164.7 | 0 | 0 | 0 | 109.1 | P71 | P71-I73 PolarHBondContact O-N 3.41Š|
| 74 | T | 51.3 | Low | 44.7 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -65 | 124.3 | 171.5 | -52.5 | 0 | 0 | 0 | 0 | 109.8 | P72 | P72-T74 PolarHBondContact O-N 3.38Š|
| 75 | P | 51.2 | Low | 44.6 | Very low | 103 Ų | 103 | 134 Ų | 134 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 147.5 | 174.5 | 28.6 | -34.3 | 0 | 0 | 0 | 110.6 | S77 | P75-S77 PolarHBondContact O-N 3.17Š|
| 76 | P | 47.1 | Very low | 44.2 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 129.8 | -177.8 | 26.9 | -34.4 | 0 | 0 | 0 | 111.1 | | |
| 77 | S | 41 | Very low | 43.5 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 132.4 | 175.4 | 38.3 | 0 | 0 | 0 | 0 | 111.4 | P75 | P75-S77 PolarHBondContact O-N 3.17Š|
| 78 | L | 45.8 | Very low | 43 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -69 | 149 | 162 | -75 | 165.6 | 0 | 0 | 0 | 109.4 | D80 | L78-D80 PolarHBondContact O-N 3.05Š|
| 79 | P | 46.2 | Very low | 42.4 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 132.8 | 178.4 | 27.5 | -34 | 0 | 0 | 0 | 111 | | |
| 80 | D | 33.3 | Very low | 41.8 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 134.4 | 179.8 | -177.3 | -94.9 | 0 | 0 | 0 | 111.6 | L78 S82 | L78-D80 PolarHBondContact O-N 3.05Å; D80-S82 WeakPolarHBondContact OD1-CB 3.39Å; D80-S82 PolarHBondContact OD1-N 3.3Å; D80-S82 PolarHBondContact OD1-OG 3.42Å |
| 81 | H | 37.8 | Very low | 41.1 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | | | trans | -115.9 | 60.1 | 171.2 | -85.2 | -66.6 | 0 | 0 | 0 | 110.2 | L83 | H81-L83 PolarHBondContact O-N 3.49Š|
| 82 | S | 35.1 | Very low | 40.3 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | | | trans | -66 | 128.9 | 170.5 | 39.7 | 0 | 0 | 0 | 0 | 112 | D80 | D80-S82 WeakPolarHBondContact OD1-CB 3.39Å; D80-S82 PolarHBondContact OD1-N 3.3Å; D80-S82 PolarHBondContact OD1-OG 3.42Å |
| 83 | L | 36.8 | Very low | 39.4 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | trans | -164.6 | 134.6 | 132.3 | -102.8 | 168.9 | 0 | 0 | 0 | 111.5 | H81 | H81-L83 PolarHBondContact O-N 3.49Š|
| 84 | V | 33.8 | Very low | 39 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | 65.6 | 112.8 | 159.6 | -60.6 | 0 | 0 | 0 | 0 | 123 | | |
| 85 | H | 35.4 | Very low | 38.1 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | 86.3 | 102.8 | 132.6 | -97.8 | -157.7 | 0 | 0 | 0 | 122.5 | | |
| 86 | L | 39.4 | Very low | 37.6 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | | 31.7 | 120.4 | 123.2 | -62.4 | 174.7 | 0 | 0 | 0 | 118.7 | | |
| 87 | N | 31.6 | Very low | 36.9 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | | -157.8 | 170.3 | 81.6 | -134.5 | 24.5 | 0 | 0 | 0 | 113.8 | | |
| 88 | E | 36.1 | Very low | 36.7 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | trans | -97.7 | 148.4 | -171.1 | 179.5 | -174.2 | 106.2 | 0 | 0 | 113 | | |
| 89 | V | 36.5 | Very low | 36.6 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | | | trans | -178 | 145.5 | 142.1 | 138.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 90 | E | 39.5 | Very low | 35.9 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -115.5 | 132.3 | -173.3 | 176 | -173.5 | 84.7 | 0 | 0 | 112.9 | | |
| 91 | S | 35.2 | Very low | 35.9 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | | | trans | 170.7 | 153.2 | 154.7 | -82.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 92 | G | 32.2 | Very low | 36.1 | Very low | 71 Ų | 71 | 144.7 Ų | 144.7 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | | | cis | 177.8 | 154.5 | -2.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 93 | Y | 36.2 | Very low | 36.2 | Very low | 228 Ų | 228 | 148.6 Ų | 148.6 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | | | trans | -69 | 148.4 | -178 | -81.6 | -110.5 | 0 | 0 | 0 | 112.6 | | |
| 94 | H | 37.1 | Very low | 36.1 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | | | | -177.6 | 116.7 | 122.4 | -96.8 | -59.1 | 0 | 0 | 0 | 116.2 | | |
| 95 | S | 33.7 | Very low | 36.4 | Very low | 92 Ų | 92 | 147.1 Ų | 147.1 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | | | | 52.6 | 121.4 | 126.2 | -60 | 0 | 0 | 0 | 0 | 124.9 | | |
| 96 | L | 40.1 | Very low | 36.6 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | 86.4 | 166.8 | 132.4 | -65 | 169.8 | 0 | 0 | 0 | 120.9 | | |
| 97 | C | 31.7 | Very low | 36.8 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 66% | 0.655 | 80% | 0.804 | S | S | * | * | | | trans | -127.5 | 170.8 | -144.2 | -52.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 98 | H | 37 | Very low | 36.9 | Very low | 179 Ų | 179 | 147.9 Ų | 147.9 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | | | trans | 82.6 | 161.7 | 168.3 | -42.4 | 105.5 | 0 | 0 | 0 | 116.5 | | |
| 99 | P | 43.2 | Very low | 36.8 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | | | | -131.6 | 156.7 | -54 | 36.8 | -23.9 | 0 | 0 | 0 | 112.3 | | |
| 100 | M | 32.8 | Very low | 37.5 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | trans | -105.6 | 123.1 | 175.3 | -83.5 | -68.1 | 112.3 | 0 | 0 | 113.2 | H102 | M100-H102 VanDerWaalsContact SD-CE1 3.55Š|
| 101 | N | 33.9 | Very low | 37.3 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -150.5 | 111.4 | 157.8 | -176.7 | -10.7 | 0 | 0 | 0 | 109.5 | | |
| 102 | H | 40.4 | Very low | 37.1 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | trans | -159.8 | 130.5 | 152.8 | 27.7 | -85.7 | 0 | 0 | 0 | 109 | M100 G104 | M100-H102 VanDerWaalsContact SD-CE1 3.55Å; H102-G104 PolarHBondContact O-N 3.4Å |
| 103 | N | 38.8 | Very low | 37.3 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | | | trans | -68.7 | 123.8 | 169.7 | -82.1 | -49 | 0 | 0 | 0 | 109.4 | | |
| 104 | G | 34.2 | Very low | 37.1 | Very low | 73 Ų | 73 | 144.1 Ų | 144.1 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -146.4 | 118.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | H102 | H102-G104 PolarHBondContact O-N 3.4Š|
| 105 | L | 38.8 | Very low | 37.1 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | | | trans | -76.9 | 134.4 | 175.7 | -67 | 162.9 | 0 | 0 | 0 | 110 | | |
| 106 | L | 41.1 | Very low | 37.7 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | -175.4 | 159.8 | 138.4 | -96 | 178.3 | 0 | 0 | 0 | 109 | | |
| 107 | P | 42.2 | Very low | 37.3 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | trans | -91.1 | 147.4 | -168.4 | 35.3 | -34.1 | 0 | 0 | 0 | 113.7 | | |
| 108 | F | 33.5 | Very low | 37.7 | Very low | 207 Ų | 207 | 146.6 Ų | 146.6 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | | | trans | -102.8 | 134.6 | 169.9 | -77.5 | -86.9 | 0 | 0 | 0 | 111.6 | | |
| 109 | H | 35.5 | Very low | 37.9 | Very low | 149 Ų | 149 | 144 Ų | 144 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | | | trans | -120 | 115.4 | 170.6 | 164.6 | 73.2 | 0 | 0 | 0 | 108.9 | Q111 | H109-Q111 WeakPolarHBondContact NE2-CG 3.36Š|
| 110 | P | 51.2 | Low | 37.7 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | | | trans | -90.5 | 130.8 | 171 | 33.2 | -29.9 | 0 | 0 | 0 | 111.4 | | |
| 111 | Q | 34.9 | Very low | 37.8 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -89.9 | 156.5 | 151.8 | -54.2 | 175.9 | -4.3 | 0 | 0 | 106 | H109 | H109-Q111 WeakPolarHBondContact NE2-CG 3.36Š|
| 112 | N | 30.8 | Very low | 37.9 | Very low | 128 Ų | 128 | 143 Ų | 143 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | | | cis | -161.7 | 139.4 | 21.8 | -173.6 | -117.7 | 0 | 0 | 0 | 110.1 | | |
| 113 | M | 37 | Very low | 37.6 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | | | trans | 61.6 | 159.6 | 173.5 | -53.6 | -54.2 | -174.2 | 0 | 0 | 116.7 | | |
| 114 | D | 31.8 | Very low | 37.8 | Very low | 133 Ų | 133 | 145.2 Ų | 145.2 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | cis | -145.7 | 166.2 | 17.2 | -171.1 | -152.7 | 0 | 0 | 0 | 113.5 | | |
| 115 | L | 37.5 | Very low | 37.9 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | 71.5 | 153.8 | 173.6 | -67.9 | 170.7 | 0 | 0 | 0 | 118.3 | | |
| 116 | P | 45.8 | Very low | 37.6 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | | | trans | -106.4 | 131.8 | -147.3 | 37.1 | -32.1 | 0 | 0 | 0 | 115.8 | | |
| 117 | E | 31.1 | Very low | 37.2 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -96.8 | 129.5 | 158.9 | -164.5 | 171.6 | 131.4 | 0 | 0 | 109.7 | T119 | E117-T119 PolarHBondContact O-N 2.87Š|
| 118 | I | 39.7 | Very low | 36.7 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | | | trans | -91.2 | 90.1 | -169.2 | -50.5 | 175.4 | 0 | 0 | 0 | 110.1 | V120 | I118-V120 HydrophobicContact CG2-CG1 4.27Å; I118-V120 PolarHBondContact O-N 3.13Å |
| 119 | T | 41.3 | Very low | 36.9 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | | | trans | -71.2 | 82.5 | 179.1 | -38.3 | 0 | 0 | 0 | 0 | 112.4 | E117 S121 | E117-T119 PolarHBondContact O-N 2.87Å; T119-S121 PolarHBondContact O-N 2.8Å |
| 120 | V | 39.2 | Very low | 36.8 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -78 | 94.7 | 171.7 | -80.3 | 0 | 0 | 0 | 0 | 111.5 | I118 | I118-V120 HydrophobicContact CG2-CG1 4.27Å; I118-V120 PolarHBondContact O-N 3.13Å |
| 121 | S | 34.2 | Very low | 36.1 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | trans | -61.5 | 146.5 | 165.3 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | T119 M123 | T119-S121 PolarHBondContact O-N 2.8Å; S121-M123 PolarHBondContact O-N 3.06Å |
| 122 | N | 36.5 | Very low | 36 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | | | trans | -51.5 | 119.9 | 174.6 | -76.9 | -18.4 | 0 | 0 | 0 | 111.9 | | |
| 123 | M | 34.7 | Very low | 36 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | | | trans | -120.4 | 125.6 | 165.5 | -65.2 | -148.1 | 75.2 | 0 | 0 | 110.1 | S121 | S121-M123 PolarHBondContact O-N 3.06Š|
| 124 | L | 43.5 | Very low | 35.8 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 95% | 0.948 | 78% | 0.784 | S | S | * | * | | | trans | -94.9 | 105.2 | -176.1 | 176.4 | 63.8 | 0 | 0 | 0 | 110.8 | | |
| 125 | G | 34.9 | Very low | 35.9 | Very low | 60 Ų | 60 | 138.7 Ų | 138.7 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | | | trans | -146.9 | 118.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 126 | Q | 33.8 | Very low | 35.6 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | | 64.8 | 108.5 | 79.6 | -66.3 | -157.2 | 51.5 | 0 | 0 | 113.5 | | |
| 127 | D | 31.3 | Very low | 35.3 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | 50 | -164.5 | 168.2 | 81.9 | -93.8 | 0 | 0 | 0 | 119.1 | | |
| 128 | G | 33.5 | Very low | 35.8 | Very low | 53 Ų | 53 | 138.2 Ų | 138.2 | 55% | 0.546 | 80% | 0.798 | S | S | . | * | | | trans | 119 | -34 | 169.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 129 | T | 36.8 | Very low | 35.9 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | | | trans | 66.4 | 166.7 | 174.6 | 73 | 0 | 0 | 0 | 0 | 119.9 | | |
| 130 | L | 33 | Very low | 35.5 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | 88.9 | 121.8 | 161.2 | -64.7 | -174 | 0 | 0 | 0 | 122.6 | | |
| 131 | L | 37.7 | Very low | 35.5 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | | | trans | 69.6 | 85.5 | 148.2 | -59.1 | 175.6 | 0 | 0 | 0 | 120 | | |
| 132 | S | 32.3 | Very low | 35.3 | Very low | 106 Ų | 106 | 146 Ų | 146 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | | | trans | -82.7 | 124.4 | 161 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | S134 | S132-S134 PolarHBondContact O-N 3.03Š|
| 133 | N | 31 | Very low | 35.3 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | | | trans | -87.7 | 85 | 162.9 | -96.8 | -11.9 | 0 | 0 | 0 | 109.5 | I135 | N133-I135 PolarHBondContact O-N 3.15Š|
| 134 | S | 32.9 | Very low | 35.9 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | | | trans | -76.1 | 108.5 | -180 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | S132 S136 | S132-S134 PolarHBondContact O-N 3.03Å; S134-S136 PolarHBondContact O-N 3.04Å |
| 135 | I | 32.8 | Very low | 35.3 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -74.9 | 122.7 | 168.8 | -158.3 | 166.5 | 0 | 0 | 0 | 109.5 | N133 V137 | N133-I135 PolarHBondContact O-N 3.15Å; I135-V137 PolarHBondContact O-N 2.7Å |
| 136 | S | 31 | Very low | 35.1 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -84.2 | 113.3 | -170.9 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | S134 | S134-S136 PolarHBondContact O-N 3.04Š|
| 137 | V | 39.2 | Very low | 35.1 | Very low | 131 Ų | 131 | 136 Ų | 136 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -114.9 | 130.4 | 162.2 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | I135 | I135-V137 PolarHBondContact O-N 2.7Š|
| 138 | M | 42.7 | Very low | 35.1 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 135.2 | -174.9 | -65.9 | -179.3 | 173.7 | 0 | 0 | 112.4 | | |
| 139 | P | 41 | Very low | 35 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 155.9 | 158.1 | 35.1 | -30.7 | 0 | 0 | 0 | 112 | | |
| 140 | D | 33.4 | Very low | 34.6 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 162.8 | -179.6 | -175.9 | -136.7 | 0 | 0 | 0 | 113.4 | R142 | D140-R142 PolarHBondContact O-N 3.15Š|
| 141 | I | 38.5 | Very low | 34.5 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | | | trans | -80 | 113.7 | -173.7 | -61.8 | 169.6 | 0 | 0 | 0 | 111.4 | | |
| 142 | R | 30.9 | Very low | 34.2 | Very low | 225 Ų | 225 | 139.1 Ų | 139.1 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | | | trans | -147.2 | 115.4 | 159.5 | -168.4 | 163.4 | -65.6 | -143.1 | 1.9 | 113.8 | D140 | D140-R142 PolarHBondContact O-N 3.15Š|
| 143 | N | 36.7 | Very low | 35 | Very low | 107 Ų | 107 | 139 Ų | 139 | 57% | 0.572 | 78% | 0.777 | S | S | * | * | | | trans | -66.1 | 148.7 | 165.1 | -175.9 | 40.8 | 0 | 0 | 0 | 110.6 | E145 | N143-E145 PolarHBondContact ND2-OE2 3.3Å; N143-E145 PolarHBondContact OD1-N 3.37Å |
| 144 | P | 47 | Very low | 35 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | | -136.8 | 151.1 | 107 | 37.9 | -28.2 | 0 | 0 | 0 | 114.7 | | |
| 145 | E | 30.1 | Very low | 35 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -75.7 | 155.8 | 173.4 | -63 | 130 | 82.7 | 0 | 0 | 112.8 | N143 | N143-E145 PolarHBondContact ND2-OE2 3.3Å; N143-E145 PolarHBondContact OD1-N 3.37Å |
| 146 | G | 32.3 | Very low | 35.1 | Very low | 69 Ų | 69 | 137.4 Ų | 137.4 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | 150.5 | 113.3 | 151 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 147 | A | 32.6 | Very low | 35.4 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | trans | 66.4 | 147.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 148 | Q | 31.8 | Very low | 35.3 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | cis | -161 | 153.1 | -18.3 | -102.3 | -140 | -25.8 | 0 | 0 | 110.1 | | |
| 149 | Y | 30.7 | Very low | 35.2 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | 67.8 | 118.7 | 158.3 | -80.8 | -131.3 | 0 | 0 | 0 | 117.5 | | |
| 150 | S | 28.7 | Very low | 35.5 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | | 97.5 | 137.4 | 88 | -164.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 151 | S | 31.1 | Very low | 35.6 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | cis | -146.3 | 155.9 | 15.1 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 152 | H | 30.9 | Very low | 35.2 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 73% | 0.731 | 77% | 0.772 | S | S | * | * | | | trans | -100.3 | 150.6 | 167.8 | -167.2 | 51.6 | 0 | 0 | 0 | 109.7 | Q154 | H152-Q154 PolarHBondContact CE1-N 3.44Å; H152-Q154 PolarHBondContact NE2-N 3.17Å |
| 153 | P | 50.2 | Low | 35.6 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | | | | -145.7 | 148.8 | 91.8 | 36.7 | -19.8 | 0 | 0 | 0 | 116.6 | | |
| 154 | Q | 30.8 | Very low | 36.3 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | | | trans | 34.6 | 150.2 | 130.3 | -49.5 | -178.7 | -87.7 | 0 | 0 | 120.4 | H152 | H152-Q154 PolarHBondContact CE1-N 3.44Å; H152-Q154 PolarHBondContact NE2-N 3.17Å |
| 155 | M | 33.4 | Very low | 35.6 | Very low | 165 Ų | 165 | 139 Ų | 139 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | cis | -160.9 | 172.2 | 34 | -140.6 | -164.5 | -64.4 | 0 | 0 | 112 | | |
| 156 | A | 33.4 | Very low | 36 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | 49 | 118.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 157 | A | 38.5 | Very low | 36.6 | Very low | 95 Ų | 95 | 142.3 Ų | 142.3 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | cis | 65.5 | 99.3 | 48.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 158 | M | 36.4 | Very low | 36.9 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 97% | 0.97 | 79% | 0.787 | S | S | * | * | | | trans | -162.8 | 149.8 | 146.4 | -92.9 | -125.4 | -88.3 | 0 | 0 | 111.9 | | |
| 159 | R | 39.8 | Very low | 37.3 | Very low | 224 Ų | 224 | 148.4 Ų | 148.4 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -148.6 | 130.9 | 172.8 | -175.8 | -165.9 | -177.2 | -171.4 | 4.4 | 109.8 | | |
| 160 | P | 47.8 | Very low | 38 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | | -133.4 | 134.7 | 128.3 | 33.1 | -20.9 | 0 | 0 | 0 | 110.1 | | |
| 161 | R | 35.3 | Very low | 39.1 | Very low | 233 Ų | 233 | 148.1 Ų | 148.1 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | | 57.1 | 94.7 | 68.7 | -171.7 | 175.1 | 176.2 | 158.6 | 0 | 112.9 | | |
| 162 | G | 31.4 | Very low | 39.2 | Very low | 77 Ų | 77 | 145.6 Ų | 145.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -159.9 | 135.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 163 | Q | 38.9 | Very low | 39.4 | Very low | 189 Ų | 189 | 146.3 Ų | 146.3 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -158.8 | 163.1 | 174.7 | -118.1 | -163 | 25.6 | 0 | 0 | 106.6 | | |
| 164 | P | 50.2 | Low | 39.1 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | | | cis | -123.3 | -174.9 | -16.3 | 39.7 | -25 | 0 | 0 | 0 | 111.7 | | |
| 165 | A | 34 | Very low | 39.7 | Very low | 100 Ų | 100 | 148.1 Ų | 148.1 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | trans | -143.1 | 136.4 | 160 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 166 | D | 36.8 | Very low | 40.3 | Very low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | | | trans | -80.7 | 140.2 | 174.6 | -173.8 | -71.7 | 0 | 0 | 0 | 110.1 | | |
| 167 | I | 45.2 | Very low | 40.8 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | | | trans | -154.2 | 124.9 | 146.8 | -113 | 155.3 | 0 | 0 | 0 | 112 | | |
| 168 | R | 39.5 | Very low | 40.7 | Very low | 210 Ų | 210 | 152.3 Ų | 152.3 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | | | trans | -78.8 | 128.7 | 175.2 | 176.2 | -170.6 | 75.2 | -177.7 | 5.1 | 111.6 | | |
| 169 | Q | 41.2 | Very low | 41.1 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | | | trans | -170.6 | 140.9 | 138.3 | -103.7 | 147.5 | 123.2 | 0 | 0 | 114.4 | | |
| 170 | Q | 44.2 | Very low | 41.5 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | | | trans | -124.6 | 171.3 | 159.5 | -103.5 | -151.3 | 40.5 | 0 | 0 | 106.1 | | |
| 171 | P | 51.4 | Low | 41.5 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | | | cis | -137.6 | -176.5 | 23 | 42.6 | -25.2 | 0 | 0 | 0 | 115.7 | | |
| 172 | G | 33.2 | Very low | 42.5 | Very low | 58 Ų | 58 | 141.1 Ų | 141.1 | 60% | 0.598 | 79% | 0.792 | S | S | * | * | | | trans | 152.5 | 91.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 173 | M | 35.8 | Very low | 43.1 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | 74 | 134.9 | 144.1 | -57 | -58.8 | 108.7 | 0 | 0 | 122.2 | | |
| 174 | M | 44 | Very low | 43.8 | Very low | 170 Ų | 170 | 141 Ų | 141 | 84% | 0.837 | 77% | 0.773 | S | S | * | * | | | trans | 61.5 | 87.9 | 156.8 | -58 | -58.8 | -85.9 | 0 | 0 | 120.2 | | |
| 175 | P | 43.3 | Very low | 44 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | trans | -76 | 136.2 | 160.2 | 32.4 | -32.6 | 0 | 0 | 0 | 111.8 | | |
| 176 | H | 46.5 | Very low | 44.9 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | | | trans | -70 | 149.5 | 174.2 | -156.4 | 78.1 | 0 | 0 | 0 | 111.3 | Q178 | H176-Q178 PolarHBondContact O-N 2.79Å; H176-Q178 VanDerWaalsContact O-N 3.08Å |
| 177 | G | 43.3 | Very low | 45.9 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | | | trans | -63.9 | 106.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 178 | Q | 37.4 | Very low | 46.1 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | | | trans | -89.5 | 117.4 | 172.7 | -60.9 | -176.2 | 54.7 | 0 | 0 | 109.3 | H176 T180 | H176-Q178 PolarHBondContact O-N 2.79Å; H176-Q178 VanDerWaalsContact O-N 3.08Å; Q178-T180 PolarHBondContact O-N 3.18Å; Q178-T180 VanDerWaalsContact O-N 3.14Å |
| 179 | L | 44.3 | Very low | 46.7 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 87% | 0.869 | 71% | 0.71 | S | S | * | * | | | trans | -67.3 | 113.6 | 178.4 | -154.8 | 82.6 | 0 | 0 | 0 | 109.1 | T181 | L179-T181 PolarHBondContact O-N 3.5Š|
| 180 | T | 47.2 | Very low | 47.1 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | | | trans | -65 | 130 | -171.5 | 40.9 | 0 | 0 | 0 | 0 | 111.8 | Q178 I182 | Q178-T180 PolarHBondContact O-N 3.18Å; Q178-T180 VanDerWaalsContact O-N 3.14Å; T180-I182 VanDerWaalsContact C-N 3.33Å; T180-I182 PolarHBondContact O-N 3.14Å |
| 181 | T | 48 | Very low | 47.7 | Very low | 138 Ų | 138 | 123.2 Ų | 123.2 | 85% | 0.847 | 70% | 0.699 | S | S | * | * | | | trans | -71.1 | 87.1 | 177.1 | 53.9 | 0 | 0 | 0 | 0 | 110 | L179 N183 | L179-T181 PolarHBondContact O-N 3.5Å; T181-N183 PolarHBondContact O-N 3.08Å; T181-N183 VanDerWaalsContact O-N 3.13Å |
| 182 | I | 55.7 | Low | 47.5 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 55% | 0.554 | 69% | 0.692 | S | S | * | * | | | trans | -58.7 | 117.4 | 177.5 | -96.9 | 174.6 | 0 | 0 | 0 | 109.7 | T180 L187 | T180-I182 VanDerWaalsContact C-N 3.33Å; T180-I182 PolarHBondContact O-N 3.14Å; I182-L187 HydrophobicContact CG2-CD1 3.56Å; I182-L187 HydrophobicContact CG2-CG 3.86Å |
| 183 | N | 44.7 | Very low | 48.4 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 52% | 0.524 | 71% | 0.705 | S | S | . | * | | | trans | -82.8 | 141.7 | 177.4 | -167.5 | -67.3 | 0 | 0 | 0 | 109.4 | T181 S185 Q186 | T181-N183 PolarHBondContact O-N 3.08Å; T181-N183 VanDerWaalsContact O-N 3.13Å; N183-S185 PolarHBondContact O-N 3.11Å; N183-S185 PolarHBondContact OD1-N 3.44Å; N183-S185 PolarHBondContact OD1-OG 3.34Å; N183-S185 VanDerWaalsContact OD1-OG 3.05Å; N183-Q186 PolarHBondContact O-N 3.31Å |
| 184 | Q | 54 | Low | 48.8 | Very low | 165 Ų | 165 | 124.2 Ų | 124.2 | 77% | 0.771 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -53.2 | -32.7 | -179.5 | -72.5 | -164.5 | 93.3 | 0 | 0 | 113.2 | Q186 L187 S188 | Q184-Q186 VanDerWaalsContact C-N 3.35Å; Q184-Q186 PolarHBondContact O-N 2.92Å; Q184-L187 PolarHBondContact O-N 3.49Å; Q184-S188 PolarHBondContact O-N 3.48Å; Q184-S188 VanDerWaalsContact O-N 3.15Å; Q184-S188 PolarHBondContact O-OG 2.87Å |
| 185 | S | 53.5 | Low | 48.9 | Very low | 73 Ų | 73 | 124.8 Ų | 124.8 | 51% | 0.51 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -64.7 | -34.1 | 179.2 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | N183 S188 A189 | N183-S185 PolarHBondContact O-N 3.11Å; N183-S185 PolarHBondContact OD1-N 3.44Å; N183-S185 PolarHBondContact OD1-OG 3.34Å; N183-S185 VanDerWaalsContact OD1-OG 3.05Å; S185-S188 WeakPolarHBondContact CA-OG 3.06Å; S185-S188 PolarHBondContact O-OG 2.73Å; S185-A189 PolarHBondContact O-N 3Å |
| 186 | Q | 54.6 | Low | 48.7 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 58% | 0.575 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -72.1 | -39.9 | 177.5 | -70.9 | -178.2 | -15.2 | 0 | 0 | 111.4 | N183 Q184 S188 A189 Q190 | N183-Q186 PolarHBondContact O-N 3.31Å; Q184-Q186 VanDerWaalsContact C-N 3.35Å; Q184-Q186 PolarHBondContact O-N 2.92Å; Q186-S188 VanDerWaalsContact C-N 3.33Å; Q186-S188 PolarHBondContact O-N 3.44Å; Q186-A189 PolarHBondContact O-N 3.47Å; Q186-Q190 PolarHBondContact O-N 2.6Å |
| 187 | L | 58 | Low | 48.3 | Very low | 72 Ų | 72 | 116.9 Ų | 116.9 | 38% | 0.377 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -60.5 | -40.4 | 173.7 | -95.9 | 167.4 | 0 | 0 | 0 | 112.2 | I182 Q184 L191 | I182-L187 HydrophobicContact CG2-CD1 3.56Å; I182-L187 HydrophobicContact CG2-CG 3.86Å; Q184-L187 PolarHBondContact O-N 3.49Å; L187-L191 WeakPolarHBondContact O-CD1 3.4Å; L187-L191 WeakPolarHBondContact O-CG 3.42Å; L187-L191 PolarHBondContact O-N 3.19Å |
| 188 | S | 49 | Very low | 47.9 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 56% | 0.559 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -66.6 | -35.6 | 174.6 | 46 | 0 | 0 | 0 | 0 | 113.5 | Q184 S185 Q186 | Q184-S188 PolarHBondContact O-N 3.48Å; Q184-S188 VanDerWaalsContact O-N 3.15Å; Q184-S188 PolarHBondContact O-OG 2.87Å; S185-S188 WeakPolarHBondContact CA-OG 3.06Å; S185-S188 PolarHBondContact O-OG 2.73Å; Q186-S188 VanDerWaalsContact C-N 3.33Å; Q186-S188 PolarHBondContact O-N 3.44Å |
| 189 | A | 50.7 | Low | 47.9 | Very low | 77 Ų | 77 | 118.9 Ų | 118.9 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -71 | -43.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S185 Q186 L191 G192 | S185-A189 PolarHBondContact O-N 3Å; Q186-A189 PolarHBondContact O-N 3.47Å; A189-L191 PolarHBondContact O-N 3.27Å; A189-G192 PolarHBondContact O-N 3.27Å |
| 190 | Q | 50.3 | Low | 47.6 | Very low | 176 Ų | 176 | 118 Ų | 118 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -72.4 | -13.5 | -176.8 | -165.2 | 158.3 | 15.8 | 0 | 0 | 113.8 | Q186 | Q186-Q190 PolarHBondContact O-N 2.6Å |
| 191 | L | 56.6 | Low | 47.4 | Very low | 115 Ų | 115 | 117.6 Ų | 117.6 | 60% | 0.602 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -6.3 | 175.4 | -69.4 | 172.6 | 0 | 0 | 0 | 114.3 | L187 A189 L193 | L187-L191 WeakPolarHBondContact O-CD1 3.4Å; L187-L191 WeakPolarHBondContact O-CG 3.42Å; L187-L191 PolarHBondContact O-N 3.19Å; A189-L191 PolarHBondContact O-N 3.27Å; L191-L193 WeakPolarHBondContact O-CG 3.33Å; L191-L193 PolarHBondContact O-N 3.37Å |
| 192 | G | 47.9 | Very low | 47.2 | Very low | 63 Ų | 63 | 119.3 Ų | 119.3 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | | | trans | 66.6 | 2.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 118 | A189 N194 | A189-G192 PolarHBondContact O-N 3.27Å; G192-N194 VanDerWaalsContact C-N 3.26Å; G192-N194 PolarHBondContact O-N 2.77Å |
| 193 | L | 52.6 | Low | 46.1 | Very low | 163 Ų | 163 | 121.7 Ų | 121.7 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | | | trans | -80.7 | 54.1 | -173.6 | -61 | -176.1 | 0 | 0 | 0 | 114.4 | L191 | L191-L193 WeakPolarHBondContact O-CG 3.33Å; L191-L193 PolarHBondContact O-N 3.37Å |
| 194 | N | 42.7 | Very low | 45.7 | Very low | 147 Ų | 147 | 120.9 Ų | 120.9 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | | | trans | -100.6 | 81.3 | 170.9 | -172 | 86.8 | 0 | 0 | 0 | 111.1 | G192 | G192-N194 VanDerWaalsContact C-N 3.26Å; G192-N194 PolarHBondContact O-N 2.77Å |
| 195 | M | 46 | Very low | 45.6 | Very low | 182 Ų | 182 | 119 Ų | 119 | 90% | 0.897 | 72% | 0.72 | S | S | * | * | | | trans | -120.8 | 87.4 | 177.4 | -164.3 | 50 | 52.6 | 0 | 0 | 111.5 | | |
| 196 | G | 39.3 | Very low | 44.9 | Very low | 73 Ų | 73 | 120.9 Ų | 120.9 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | | | trans | -125.3 | 61.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 197 | G | 39.1 | Very low | 44.9 | Very low | 66 Ų | 66 | 120.6 Ų | 120.6 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | | | trans | 70.4 | 130.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 198 | S | 34.3 | Very low | 44.5 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | | | trans | -167.3 | 147.7 | 135.3 | -84 | 0 | 0 | 0 | 0 | 110.4 | | |
| 199 | N | 37.6 | Very low | 43.9 | Very low | 165 Ų | 165 | 123.3 Ų | 123.3 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | trans | -105.9 | 139.8 | 175.5 | -57.9 | -79.8 | 0 | 0 | 0 | 109.9 | | |
| 200 | V | 38.7 | Very low | 43.4 | Very low | 147 Ų | 147 | 125.7 Ų | 125.7 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | | | trans | -171.1 | 151.4 | 150.2 | 129.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 201 | P | 41.8 | Very low | 43.2 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -110.5 | 155.3 | -152.8 | 39.8 | -34.4 | 0 | 0 | 0 | 117.7 | | |
| 202 | H | 44.5 | Very low | 42.3 | Very low | 173 Ų | 173 | 127.8 Ų | 127.8 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | | | trans | 30.7 | 112.1 | 141 | -132.5 | -70.6 | 0 | 0 | 0 | 120.3 | | |
| 203 | N | 32.2 | Very low | 42 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -152.1 | 150.5 | 137.4 | -154.1 | -7 | 0 | 0 | 0 | 110.6 | | |
| 204 | S | 37.2 | Very low | 41.4 | Very low | 80 Ų | 80 | 128.1 Ų | 128.1 | 56% | 0.559 | 81% | 0.812 | S | S | * | * | | | trans | -109.6 | 169.1 | 178.3 | -46.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 205 | P | 50.4 | Low | 41.9 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | | -146 | 168.3 | 74.5 | 37.1 | -18.1 | 0 | 0 | 0 | 115.8 | | |
| 206 | S | 39.8 | Very low | 41.5 | Very low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 151 | 172.8 | -46.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 207 | P | 54.6 | Low | 42.2 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 161.5 | 158.2 | 34 | -31 | 0 | 0 | 0 | 112 | | |
| 208 | P | 50.3 | Low | 41.9 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 160.8 | -169.7 | 34.8 | -36.7 | 0 | 0 | 0 | 114.3 | | |
| 209 | G | 35.8 | Very low | 42 | Very low | 79 Ų | 79 | 126.7 Ų | 126.7 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 168.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 210 | S | 41 | Very low | 41.9 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | trans | -120.4 | 117.7 | 174.5 | -77.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 211 | K | 45.2 | Very low | 41.9 | Very low | 208 Ų | 208 | 122.9 Ų | 122.9 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | | | trans | -56.4 | 138.4 | 164.4 | 62.4 | -157.9 | 166.1 | 177.6 | 0 | 111.9 | | |
| 212 | S | 37.5 | Very low | 41.7 | Very low | 126 Ų | 126 | 125 Ų | 125 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | | | trans | -160.4 | 145.8 | 148 | -146.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 213 | A | 40.8 | Very low | 41.2 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -149.8 | 127.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 214 | T | 41.7 | Very low | 41.6 | Very low | 140 Ų | 140 | 124 Ų | 124 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | -157.2 | 139.2 | 160.5 | 23.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 215 | P | 53.1 | Low | 41.8 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | | | trans | -114.4 | 162.3 | -174.6 | 40.6 | -33.6 | 0 | 0 | 0 | 115.5 | | |
| 216 | S | 36.9 | Very low | 41.3 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | 72.4 | 164.3 | 152.2 | -61.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 217 | P | 53.3 | Low | 41.1 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | | | cis | -140 | 177 | -43.4 | 39.3 | -23.8 | 0 | 0 | 0 | 114.7 | | |
| 218 | S | 32.8 | Very low | 40.4 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | 68.9 | 150.2 | 159.2 | -69.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 219 | S | 36.2 | Very low | 39.8 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | cis | -168.1 | 153.7 | -16.5 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 220 | S | 36.1 | Very low | 40.3 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | 152 | 153.1 | 132 | -162.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 221 | V | 39.8 | Very low | 40.2 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | 80.3 | 104.4 | 164.7 | -169.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 222 | H | 35.9 | Very low | 40.1 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | 53 | 129.6 | 145.5 | -105.2 | 13.5 | 0 | 0 | 0 | 120 | | |
| 223 | E | 35.7 | Very low | 39.9 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | | | cis | 61.7 | 125.7 | 47 | -51.6 | 166.9 | 135.5 | 0 | 0 | 111.9 | | |
| 224 | D | 39.7 | Very low | 39.6 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | | | cis | -142.1 | 123.8 | 14.7 | 178.9 | -139.7 | 0 | 0 | 0 | 106.6 | | |
| 225 | E | 41 | Very low | 39.3 | Very low | 183 Ų | 183 | 129.1 Ų | 129.1 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | | | | 40.6 | 149.2 | 90.3 | -57.9 | -159.2 | 77.5 | 0 | 0 | 115.6 | | |
| 226 | G | 39.9 | Very low | 38.4 | Very low | 77 Ų | 77 | 132.6 Ų | 132.6 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | cis | -166.9 | 175.2 | -8.1 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 227 | D | 35.4 | Very low | 38.7 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 67% | 0.674 | 79% | 0.793 | S | S | * | * | | | cis | -149.4 | 142.6 | 4.8 | 164.3 | -112.4 | 0 | 0 | 0 | 109.9 | T229 | D227-T229 PolarHBondContact OD1-N 3.25Å; D227-T229 PolarHBondContact OD1-OG1 3.17Å; D227-T229 WeakPolarHBondContact OD2-CB 3.3Å; D227-T229 VanDerWaalsContact OD2-CG2 3.29Å; D227-T229 WeakPolarHBondContact OD2-CG2 3.48Å; D227-T229 PolarHBondContact OD2-N 3.2Å; D227-T229 VanDerWaalsContact OD2-N 3.12Å; D227-T229 PolarHBondContact OD2-OG1 2.88Å |
| 228 | D | 40.9 | Very low | 37.9 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | | | trans | -136.6 | 98.7 | 149.6 | -177.3 | -52.9 | 0 | 0 | 0 | 106.8 | | |
| 229 | T | 37.7 | Very low | 38.3 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 68% | 0.681 | 80% | 0.8 | S | S | * | * | | | trans | -123.2 | 90.8 | 173.1 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | D227 | D227-T229 PolarHBondContact OD1-N 3.25Å; D227-T229 PolarHBondContact OD1-OG1 3.17Å; D227-T229 WeakPolarHBondContact OD2-CB 3.3Å; D227-T229 VanDerWaalsContact OD2-CG2 3.29Å; D227-T229 WeakPolarHBondContact OD2-CG2 3.48Å; D227-T229 PolarHBondContact OD2-N 3.2Å; D227-T229 VanDerWaalsContact OD2-N 3.12Å; D227-T229 PolarHBondContact OD2-OG1 2.88Å |
| 230 | S | 45.7 | Very low | 38.5 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -42.9 | 137.1 | 162.3 | -74 | 0 | 0 | 0 | 0 | 113.2 | | |
| 231 | K | 38.9 | Very low | 38.7 | Very low | 208 Ų | 208 | 143.4 Ų | 143.4 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | | | trans | -127.2 | 108.3 | 165.9 | -140.2 | 165 | -165.8 | 165.9 | 0 | 113.6 | | |
| 232 | I | 42.9 | Very low | 38.7 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | | | trans | -65.7 | 147.7 | 174.2 | 48.2 | 169.1 | 0 | 0 | 0 | 112.7 | | |
| 233 | N | 32.9 | Very low | 39 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | | | trans | -158.8 | 134.2 | 147.3 | -114.2 | -32.7 | 0 | 0 | 0 | 110.1 | | |
| 234 | G | 35 | Very low | 39.4 | Very low | 81 Ų | 81 | 140 Ų | 140 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -125.6 | 133.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 235 | G | 34.8 | Very low | 39.8 | Very low | 79 Ų | 79 | 143.2 Ų | 143.2 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | trans | -154.5 | 91.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 236 | E | 34 | Very low | 39.9 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | | | trans | 23 | 114 | 157.5 | -60 | -169.1 | 76.1 | 0 | 0 | 122.8 | | |
| 237 | K | 43 | Very low | 40.3 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | | | trans | 20.6 | 120 | 133.3 | -59.3 | 172.2 | -176.7 | 168.3 | 0 | 119.5 | | |
| 238 | R | 36.7 | Very low | 40.8 | Very low | 251 Ų | 251 | 149.3 Ų | 149.3 | 95% | 0.947 | 82% | 0.823 | S | S | * | * | | | | -158.1 | 160.6 | 125.7 | -108.5 | 164.5 | -169.5 | 168.8 | 6 | 111.3 | | |
| 239 | P | 41.9 | Very low | 40.9 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | | | trans | -102.6 | 159.9 | -159.1 | 38.6 | -35.9 | 0 | 0 | 0 | 116.1 | | |
| 240 | A | 40.6 | Very low | 41.5 | Very low | 103 Ų | 103 | 148.7 Ų | 148.7 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | | | trans | 55.8 | 111.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 241 | S | 39.6 | Very low | 41.6 | Very low | 122 Ų | 122 | 153 Ų | 153 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | | | trans | -132.8 | 124.9 | 136.6 | 51.5 | 0 | 0 | 0 | 0 | 110 | | |
| 242 | D | 40.8 | Very low | 42.2 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 75% | 0.754 | 83% | 0.831 | S | S | * | * | | | trans | -78.4 | 167.6 | 165 | 175.9 | -119.8 | 0 | 0 | 0 | 110.1 | | |
| 243 | M | 42.1 | Very low | 42.9 | Very low | 171 Ų | 171 | 155 Ų | 155 | 84% | 0.842 | 83% | 0.834 | S | S | * | * | | | trans | 121.2 | 137.4 | 165.3 | -68.2 | -81.7 | 162.1 | 0 | 0 | 114 | | |
| 244 | G | 44.9 | Very low | 43.8 | Very low | 64 Ų | 64 | 156.2 Ų | 156.2 | 66% | 0.66 | 83% | 0.831 | S | S | * | * | | | trans | 108.7 | 38.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | K246 | G244-K246 PolarHBondContact O-N 3.12Š|
| 245 | K | 47.1 | Very low | 44.5 | Very low | 215 Ų | 215 | 161.5 Ų | 161.5 | 94% | 0.935 | 83% | 0.831 | S | S | * | * | | | trans | -64.2 | 73.6 | 163.6 | -74.2 | -178.2 | -179.5 | 171.1 | 0 | 112 | P247 | K245-P247 WeakPolarHBondContact O-CD 3.2Š|
| 246 | K | 44 | Very low | 45.7 | Very low | 189 Ų | 189 | 164.1 Ų | 164.1 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | | | trans | -72.9 | 120.6 | 167.7 | -74 | -175.5 | 177.4 | 177 | 0 | 109 | G244 K248 | G244-K246 PolarHBondContact O-N 3.12Å; K246-K248 PolarHBondContact O-N 3.36Å |
| 247 | P | 46.8 | Very low | 46.7 | Very low | 117 Ų | 117 | 160.2 Ų | 160.2 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | trans | -66.4 | 119.3 | -179.3 | 26.1 | -33.2 | 0 | 0 | 0 | 109.9 | K245 T249 | K245-P247 WeakPolarHBondContact O-CD 3.2Å; P247-T249 PolarHBondContact O-N 3.02Å |
| 248 | K | 46.3 | Very low | 48.1 | Very low | 208 Ų | 208 | 156.5 Ų | 156.5 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | | | trans | -66.3 | 99.9 | 172.3 | -70.9 | -177.4 | 179.2 | 177.8 | 0 | 108.3 | K246 | K246-K248 PolarHBondContact O-N 3.36Š|
| 249 | T | 43 | Very low | 49.6 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | | | trans | -58.2 | 129.6 | 176.2 | 48.3 | 0 | 0 | 0 | 0 | 109.2 | P247 K251 | P247-T249 PolarHBondContact O-N 3.02Å; T249-K251 PolarHBondContact O-N 2.96Å |
| 250 | P | 50 | Low | 51.2 | Low | 122 Ų | 122 | 148 Ų | 148 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | | | trans | -68.2 | 104.5 | -179.1 | 26.5 | -32.8 | 0 | 0 | 0 | 108.4 | K252 | P250-K252 PolarHBondContact O-N 3.45Š|
| 251 | K | 49.1 | Very low | 53 | Low | 198 Ų | 198 | 143.6 Ų | 143.6 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | | | trans | -52.1 | 108.3 | 169.2 | -80.7 | -175.5 | 174.8 | 179.6 | 0 | 107.3 | T249 K253 | T249-K251 PolarHBondContact O-N 2.96Å; K251-K253 PolarHBondContact O-N 2.93Å |
| 252 | K | 51.4 | Low | 55.2 | Low | 205 Ų | 205 | 144.8 Ų | 144.8 | 89% | 0.891 | 72% | 0.721 | S | S | * | * | | | trans | -51.5 | 109.8 | 169.7 | -79.5 | -177.6 | 175.2 | 177.8 | 0 | 106.4 | P250 K254 | P250-K252 PolarHBondContact O-N 3.45Å; K252-K254 PolarHBondContact O-N 2.91Å |
| 253 | K | 56.3 | Low | 57.4 | Low | 201 Ų | 201 | 145.2 Ų | 145.2 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | | | trans | -55.1 | 119.1 | 170.4 | -68.2 | -177.5 | 178.7 | -179.3 | 0 | 105.3 | K251 K255 | K251-K253 PolarHBondContact O-N 2.93Å; K253-K255 PolarHBondContact O-N 3.35Å |
| 254 | K | 52.6 | Low | 59.6 | Low | 200 Ų | 200 | 139.2 Ų | 139.2 | 87% | 0.87 | 69% | 0.69 | S | S | * | * | | | trans | -48.9 | 136.3 | 165.9 | -79.4 | -172.9 | 173 | -174.2 | 0 | 106.1 | K252 K256 | K252-K254 PolarHBondContact O-N 2.91Å; K254-K256 PolarHBondContact O-N 3.3Å |
| 255 | K | 50.1 | Low | 61.8 | Low | 193 Ų | 193 | 138.2 Ų | 138.2 | 84% | 0.839 | 67% | 0.671 | S | S | * | * | | | trans | -57 | 108.8 | 172.1 | -73.5 | -173.5 | 176.4 | -175.3 | 0 | 106.1 | K253 D257 | K253-K255 PolarHBondContact O-N 3.35Å; K255-D257 PolarHBondContact O-N 3.38Å |
| 256 | K | 59.8 | Low | 64 | Low | 133 Ų | 133 | 131.4 Ų | 131.4 | 58% | 0.578 | 65% | 0.65 | S | S | * | * | | | trans | -57.7 | 129.9 | 165.3 | -173.9 | 62.4 | 162.9 | 157.2 | 0 | 105.2 | K254 P258 E260 | K254-K256 PolarHBondContact O-N 3.3Å; K256-P258 VanDerWaalsContact O-N 3.17Å; K256-E260 WeakPolarHBondContact CE-OE1 3.44Å; K256-E260 WeakPolarHBondContact CE-OE2 3.48Å; K256-E260 IonicContact NZ-OE1 2.66Å; K256-E260 PolarHBondContact NZ-OE1 3.14Å; K256-E260 IonicContact NZ-OE2 2.6Å; K256-E260 PolarHBondContact NZ-OE2 3.09Å |
| 257 | D | 55.1 | Low | 66.4 | Low | 101 Ų | 101 | 123.1 Ų | 123.1 | 54% | 0.54 | 62% | 0.617 | S | S | . | * | | | trans | -51.6 | 122.7 | -170.2 | -67.2 | -85.6 | 0 | 0 | 0 | 110.3 | K255 N259 E260 | K255-D257 PolarHBondContact O-N 3.38Å; D257-N259 PolarHBondContact O-N 3.17Å; D257-E260 HydrophobicContact CB-CB 4.47Å; D257-E260 PolarHBondContact O-N 2.66Å |
| 258 | P | 72.2 | Confident | 68.7 | Low | 118 Ų | 118 | 121.5 Ų | 121.5 | 77% | 0.766 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -16.6 | -170.2 | -28.6 | 36.1 | 0 | 0 | 0 | 115 | K256 | K256-P258 VanDerWaalsContact O-N 3.17Š|
| 259 | N | 68.4 | Low | 71 | Confident | 132 Ų | 132 | 113.1 Ų | 113.1 | 71% | 0.706 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -7 | -178.8 | -59 | -5.5 | 0 | 0 | 0 | 113.2 | D257 P261 Y328 | D257-N259 PolarHBondContact O-N 3.17Å; N259-P261 WeakPolarHBondContact O-CD 3.49Å; N259-Y328 HydrophobicContact CB-CE2 4.23Å; N259-Y328 WeakPolarHBondContact O-CD2 3.32Å |
| 260 | E | 75.8 | Confident | 73.4 | Confident | 56 Ų | 56 | 109.6 Ų | 109.6 | 26% | 0.262 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -75.2 | 120.6 | 170.9 | -172 | -171.1 | 143.6 | 0 | 0 | 108.5 | K256 D257 Q262 | K256-E260 WeakPolarHBondContact CE-OE1 3.44Å; K256-E260 WeakPolarHBondContact CE-OE2 3.48Å; K256-E260 IonicContact NZ-OE1 2.66Å; K256-E260 PolarHBondContact NZ-OE1 3.14Å; K256-E260 IonicContact NZ-OE2 2.6Å; K256-E260 PolarHBondContact NZ-OE2 3.09Å; D257-E260 HydrophobicContact CB-CB 4.47Å; D257-E260 PolarHBondContact O-N 2.66Å; E260-Q262 PolarHBondContact O-N 2.99Å |
| 261 | P | 78.6 | Confident | 75.6 | Confident | 12 Ų | 12 | 104.2 Ų | 104.2 | 8% | 0.078 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 132.8 | -179.1 | 23.6 | -33 | 0 | 0 | 0 | 110.4 | N259 K263 Y321 Q324 L325 | N259-P261 WeakPolarHBondContact O-CD 3.49Å; P261-K263 PolarHBondContact O-N 3.21Å; P261-Y321 HydrophobicContact CB-CD2 4.04Å; P261-Y321 HydrophobicContact CB-CE2 4.37Å; P261-Y321 HydrophobicContact CG-CD2 4.39Å; P261-Y321 HydrophobicContact CG-CE2 4.33Å; P261-Y321 VanDerWaalsContact O-CE2 3.31Å; P261-Y321 WeakPolarHBondContact O-CE2 3.45Å; P261-Q324 HydrophobicContact CB-CB 3.78Å; P261-Q324 HydrophobicContact CG-CB 4.14Å; P261-L325 HydrophobicContact CG-CB 4.25Å; P261-L325 HydrophobicContact CG-CD1 4.46Å |
| 262 | Q | 84.1 | Confident | 77.8 | Confident | 146 Ų | 146 | 96.3 Ų | 96.3 | 68% | 0.682 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 128 | -177.6 | -174.6 | 157 | 114.3 | 0 | 0 | 110.2 | E260 Y321 | E260-Q262 PolarHBondContact O-N 2.99Å; Q262-Y321 WeakPolarHBondContact O-CD2 3.34Å |
| 263 | K | 87.4 | Confident | 79.8 | Confident | 150 Ų | 150 | 93.2 Ų | 93.2 | 65% | 0.652 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 135.6 | 174.8 | -71.3 | -172.5 | 176.5 | -170.5 | 0 | 110.5 | P261 Y321 | P261-K263 PolarHBondContact O-N 3.21Å; K263-Y321 HydrophobicContact CB-CE2 4.33Å; K263-Y321 HydrophobicContact CG-CE2 3.79Å |
| 264 | P | 88.8 | Confident | 81.6 | Confident | 46 Ų | 46 | 87.3 Ų | 87.3 | 30% | 0.299 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 144.4 | 178.5 | 30.1 | -39.1 | 0 | 0 | 0 | 110.3 | A317 K318 | P264-A317 HydrophobicContact CB-CB 4.15Å; P264-K318 HydrophobicContact CB-CB 4.42Å; P264-K318 HydrophobicContact CG-CB 3.98Å; P264-K318 HydrophobicContact CG-CG 4.35Å |
| 265 | V | 90.4 | Very high | 83.6 | Confident | 43 Ų | 43 | 78.5 Ų | 78.5 | 26% | 0.261 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 151.2 | 171.3 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | A269 L270 T314 | V265-A269 HydrophobicContact CB-CB 3.93Å; V265-L270 HydrophobicContact CG2-CB 3.93Å; V265-L270 HydrophobicContact CG2-CD1 3.55Å; V265-L270 HydrophobicContact CG2-CG 4.38Å; V265-T314 VanDerWaalsContact O-CG2 3.29Å; V265-T314 WeakPolarHBondContact O-CG2 3.35Å; V265-T314 PolarHBondContact O-OG1 2.94Å |
| 266 | S | 94 | Very high | 85.8 | Confident | 71 Ų | 71 | 72 Ų | 72 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 161.6 | 175.8 | 63 | 0 | 0 | 0 | 0 | 111.8 | Y268 A269 L270 T314 | S266-Y268 VanDerWaalsContact C-N 3.33Å; S266-Y268 PolarHBondContact O-N 2.92Å; S266-A269 CarbonylContact O-C 3.58Å; S266-A269 WeakPolarHBondContact O-CA 3.46Å; S266-A269 PolarHBondContact O-N 2.88Å; S266-A269 WeakPolarHBondContact OG-CB 3.43Å; S266-L270 PolarHBondContact O-N 2.96Å; S266-T314 VanDerWaalsContact C-OG1 3.31Å |
| 267 | A | 94.6 | Very high | 87.4 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 12% | 0.124 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -53.6 | -47.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L270 F271 W299 K311 T314 | A267-L270 PolarHBondContact O-N 3.19Å; A267-F271 PolarHBondContact O-N 3.35Å; A267-F271 VanDerWaalsContact O-N 3.11Å; A267-W299 HydrophobicContact CB-CH2 4.06Å; A267-K311 HydrophobicContact CB-CG 4.25Å; A267-T314 WeakPolarHBondContact CA-OG1 3.44Å; A267-T314 PolarHBondContact N-OG1 3.17Å; A267-T314 VanDerWaalsContact N-OG1 3.15Å |
| 268 | Y | 94.6 | Very high | 89.3 | Confident | 83 Ų | 83 | 66.6 Ų | 66.6 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 173.8 | 175.9 | -121.4 | 0 | 0 | 0 | 112.4 | S266 L270 F271 F272 V295 W299 | S266-Y268 VanDerWaalsContact C-N 3.33Å; S266-Y268 PolarHBondContact O-N 2.92Å; Y268-L270 VanDerWaalsContact C-N 3.33Å; Y268-L270 PolarHBondContact O-N 2.76Å; Y268-F271 PolarHBondContact O-N 3.15Å; Y268-F272 HydrophobicContact CE1-CD2 4.42Å; Y268-F272 HydrophobicContact CE2-CD2 4.5Å; Y268-F272 AromaticContact CZ-CD2 3.97Å; Y268-F272 WeakPolarHBondContact O-CB 3.38Å; Y268-F272 PolarHBondContact O-N 3.12Å; Y268-V295 HydrophobicContact CE2-CG1 4.47Å; Y268-W299 HydrophobicContact CD2-CB 3.87Å; Y268-W299 AromaticContact CD2-CD1 3.73Å; Y268-W299 AromaticContact CD2-CD2 3.6Å; Y268-W299 HydrophobicContact CD2-CD2 3.6Å; Y268-W299 AromaticContact CD2-CE2 3.97Å; Y268-W299 HydrophobicContact CD2-CE3 4.17Å; Y268-W299 AromaticContact CD2-CG 3.44Å; Y268-W299 HydrophobicContact CD2-CG 3.44Å; Y268-W299 VanDerWaalsContact CD2-CG 3.44Å; Y268-W299 HydrophobicContact CE2-CB 3.73Å; Y268-W299 HydrophobicContact CE2-CD2 4.4Å; Y268-W299 AromaticContact CE2-CG 3.79Å; Y268-W299 HydrophobicContact CE2-CG 3.79Å; Y268-W299 HydrophobicContact CG-CD2 4.46Å |
| 269 | A | 94.5 | Very high | 90.3 | Very high | 32 Ų | 32 | 61.8 Ų | 61.8 | 26% | 0.264 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.4 | -21.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | V265 S266 R273 | V265-A269 HydrophobicContact CB-CB 3.93Å; S266-A269 CarbonylContact O-C 3.58Å; S266-A269 WeakPolarHBondContact O-CA 3.46Å; S266-A269 PolarHBondContact O-N 2.88Å; S266-A269 WeakPolarHBondContact OG-CB 3.43Å; A269-R273 WeakPolarHBondContact O-CG 3.28Å; A269-R273 PolarHBondContact O-N 3.04Å |
| 270 | L | 93.8 | Very high | 91.5 | Very high | 45 Ų | 45 | 59.6 Ų | 59.6 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.3 | -57.3 | 168.2 | -160.8 | 79.9 | 0 | 0 | 0 | 109.5 | V265 S266 A267 Y268 F272 R273 D274 Y310 K313 | V265-L270 HydrophobicContact CG2-CB 3.93Å; V265-L270 HydrophobicContact CG2-CD1 3.55Å; V265-L270 HydrophobicContact CG2-CG 4.38Å; S266-L270 PolarHBondContact O-N 2.96Å; A267-L270 PolarHBondContact O-N 3.19Å; Y268-L270 VanDerWaalsContact C-N 3.33Å; Y268-L270 PolarHBondContact O-N 2.76Å; L270-F272 VanDerWaalsContact C-N 3.25Å; L270-F272 PolarHBondContact O-N 3.25Å; L270-R273 PolarHBondContact O-N 3.39Å; L270-D274 PolarHBondContact O-N 2.86Å; L270-D274 VanDerWaalsContact O-N 3.12Å; L270-Y310 HydrophobicContact CB-CD1 4.35Å; L270-Y310 HydrophobicContact CD2-CD1 4Å; L270-Y310 HydrophobicContact CD2-CE1 4.39Å; L270-K313 HydrophobicContact CD2-CB 3.8Å; L270-K313 HydrophobicContact CD2-CD 4.03Å |
| 271 | F | 95.1 | Very high | 92.3 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -52.5 | -43.9 | 175.3 | 175.6 | -99.5 | 0 | 0 | 0 | 112.1 | A267 Y268 R273 D274 T275 V295 M298 W299 L302 Y310 | A267-F271 PolarHBondContact O-N 3.35Å; A267-F271 VanDerWaalsContact O-N 3.11Å; Y268-F271 PolarHBondContact O-N 3.15Å; F271-R273 VanDerWaalsContact C-N 3.31Å; F271-R273 PolarHBondContact O-N 3.33Å; F271-D274 PolarHBondContact O-N 2.84Å; F271-T275 HydrophobicContact CE1-CG2 4.48Å; F271-T275 WeakPolarHBondContact CE2-OG1 3.47Å; F271-T275 HydrophobicContact CZ-CG2 4.17Å; F271-T275 VanDerWaalsContact CZ-OG1 3.32Å; F271-T275 WeakPolarHBondContact CZ-OG1 3.32Å; F271-T275 WeakPolarHBondContact O-CB 3.42Å; F271-T275 PolarHBondContact O-N 2.87Å; F271-T275 PolarHBondContact O-OG1 3.3Å; F271-V295 HydrophobicContact CD1-CG1 4.2Å; F271-V295 HydrophobicContact CE1-CG1 4.07Å; F271-M298 HydrophobicContact CE1-CB 4.31Å; F271-M298 HydrophobicContact CZ-CB 3.97Å; F271-W299 HydrophobicContact CB-CE3 3.74Å; F271-W299 HydrophobicContact CB-CZ3 3.78Å; F271-W299 HydrophobicContact CD1-CB 3.89Å; F271-W299 HydrophobicContact CD1-CD2 4.29Å; F271-W299 AromaticContact CD1-CE3 3.59Å; F271-W299 HydrophobicContact CD1-CE3 3.59Å; F271-W299 HydrophobicContact CD1-CG 4.45Å; F271-W299 HydrophobicContact CD1-CZ3 4.48Å; F271-W299 HydrophobicContact CD2-CE3 4.26Å; F271-W299 HydrophobicContact CE1-CB 3.65Å; F271-W299 HydrophobicContact CE1-CE3 4.23Å; F271-W299 AromaticContact CG-CE3 3.59Å; F271-W299 HydrophobicContact CG-CE3 3.59Å; F271-W299 HydrophobicContact CG-CZ3 4.07Å; F271-L302 HydrophobicContact CD2-CD1 3.97Å; F271-L302 HydrophobicContact CE2-CD1 3.74Å; F271-L302 HydrophobicContact CE2-CD2 4.33Å; F271-L302 HydrophobicContact CE2-CG 4.33Å; F271-L302 HydrophobicContact CZ-CD1 4.15Å; F271-L302 HydrophobicContact CZ-CG 4.41Å; F271-Y310 HydrophobicContact CB-CD1 4.02Å; F271-Y310 HydrophobicContact CB-CD2 4.43Å; F271-Y310 HydrophobicContact CB-CE1 4.03Å; F271-Y310 HydrophobicContact CB-CE2 4.44Å; F271-Y310 HydrophobicContact CB-CG 4.26Å; F271-Y310 HydrophobicContact CD2-CD2 4.29Å; F271-Y310 HydrophobicContact CD2-CE1 4.32Å; F271-Y310 AromaticContact CD2-CE2 3.67Å; F271-Y310 HydrophobicContact CD2-CE2 3.67Å; F271-Y310 AromaticContact CD2-CZ 3.71Å; F271-Y310 HydrophobicContact CE2-CE2 4.46Å; F271-Y310 HydrophobicContact CG-CE2 4.49Å |
| 272 | F | 95.5 | Very high | 93 | Very high | 33 Ų | 33 | 66.3 Ų | 66.3 | 15% | 0.145 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 179 | -173.5 | -77.8 | 0 | 0 | 0 | 111.7 | Y268 L270 Q276 F288 V295 | Y268-F272 HydrophobicContact CE1-CD2 4.42Å; Y268-F272 HydrophobicContact CE2-CD2 4.5Å; Y268-F272 AromaticContact CZ-CD2 3.97Å; Y268-F272 WeakPolarHBondContact O-CB 3.38Å; Y268-F272 PolarHBondContact O-N 3.12Å; L270-F272 VanDerWaalsContact C-N 3.25Å; L270-F272 PolarHBondContact O-N 3.25Å; F272-Q276 HydrophobicContact CD1-CB 4.35Å; F272-Q276 HydrophobicContact CE1-CB 4.29Å; F272-Q276 HydrophobicContact CE1-CG 4.43Å; F272-Q276 WeakPolarHBondContact O-CA 3.18Å; F272-Q276 WeakPolarHBondContact O-CB 2.92Å; F272-Q276 PolarHBondContact O-N 3.21Å; F272-F288 AromaticContact CE1-CE2 3.92Å; F272-F288 HydrophobicContact CE1-CE2 3.92Å; F272-F288 AromaticContact CE1-CZ 3.97Å; F272-F288 HydrophobicContact CE1-CZ 3.97Å; F272-F288 AromaticContact CZ-CE2 3.94Å; F272-F288 HydrophobicContact CZ-CE2 3.94Å; F272-F288 AromaticContact CZ-CZ 3.73Å; F272-F288 HydrophobicContact CZ-CZ 3.73Å; F272-V295 HydrophobicContact CB-CG1 4.03Å; F272-V295 HydrophobicContact CD2-CB 4.12Å; F272-V295 HydrophobicContact CD2-CG1 3.36Å; F272-V295 HydrophobicContact CE2-CB 4.25Å; F272-V295 HydrophobicContact CE2-CG1 3.99Å; F272-V295 HydrophobicContact CG-CG1 3.88Å |
| 273 | R | 94.9 | Very high | 93.2 | Very high | 139 Ų | 139 | 63.1 Ų | 63.1 | 53% | 0.525 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 177.4 | -72.6 | 176.5 | 66.1 | 168.4 | -0.2 | 111.8 | A269 L270 F271 A277 | A269-R273 WeakPolarHBondContact O-CG 3.28Å; A269-R273 PolarHBondContact O-N 3.04Å; L270-R273 PolarHBondContact O-N 3.39Å; F271-R273 VanDerWaalsContact C-N 3.31Å; F271-R273 PolarHBondContact O-N 3.33Å; R273-A277 WeakPolarHBondContact O-CB 3.24Å; R273-A277 PolarHBondContact O-N 2.93Å |
| 274 | D | 94.1 | Very high | 93.4 | Very high | 77 Ų | 77 | 60.1 Ų | 60.1 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.5 | -50.3 | -178.3 | -62.4 | -13.5 | 0 | 0 | 0 | 110.9 | L270 F271 A277 A278 | L270-D274 PolarHBondContact O-N 2.86Å; L270-D274 VanDerWaalsContact O-N 3.12Å; F271-D274 PolarHBondContact O-N 2.84Å; D274-A277 PolarHBondContact O-N 3.42Å; D274-A278 PolarHBondContact O-N 3.46Å; D274-A278 VanDerWaalsContact O-N 3.12Å |
| 275 | T | 94.4 | Very high | 93.6 | Very high | 16 Ų | 16 | 65.6 Ų | 65.6 | 10% | 0.098 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -75 | -35.1 | -178.7 | -51.2 | 0 | 0 | 0 | 0 | 112.5 | F271 A277 A278 I279 V295 M298 | F271-T275 HydrophobicContact CE1-CG2 4.48Å; F271-T275 WeakPolarHBondContact CE2-OG1 3.47Å; F271-T275 HydrophobicContact CZ-CG2 4.17Å; F271-T275 VanDerWaalsContact CZ-OG1 3.32Å; F271-T275 WeakPolarHBondContact CZ-OG1 3.32Å; F271-T275 WeakPolarHBondContact O-CB 3.42Å; F271-T275 PolarHBondContact O-N 2.87Å; F271-T275 PolarHBondContact O-OG1 3.3Å; T275-A277 VanDerWaalsContact C-N 3.31Å; T275-A277 PolarHBondContact O-N 3.34Å; T275-A278 PolarHBondContact O-N 3.07Å; T275-I279 HydrophobicContact CG2-CD1 3.83Å; T275-I279 HydrophobicContact CG2-CG1 4.37Å; T275-I279 WeakPolarHBondContact O-CG1 3.4Å; T275-I279 PolarHBondContact O-N 3.32Å; T275-V295 HydrophobicContact CG2-CG2 3.96Å; T275-M298 HydrophobicContact CG2-CE 3.73Å; T275-M298 HydrophobicContact CG2-SD 3.68Å |
| 276 | Q | 95.2 | Very high | 93.6 | Very high | 56 Ų | 56 | 64.5 Ų | 64.5 | 26% | 0.262 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 169.9 | -176.3 | -159.6 | -13.4 | 0 | 0 | 110.5 | F272 K280 V291 | F272-Q276 HydrophobicContact CD1-CB 4.35Å; F272-Q276 HydrophobicContact CE1-CB 4.29Å; F272-Q276 HydrophobicContact CE1-CG 4.43Å; F272-Q276 WeakPolarHBondContact O-CA 3.18Å; F272-Q276 WeakPolarHBondContact O-CB 2.92Å; F272-Q276 PolarHBondContact O-N 3.21Å; Q276-K280 WeakPolarHBondContact O-CB 3.3Å; Q276-K280 PolarHBondContact O-N 2.89Å; Q276-V291 HydrophobicContact CB-CG1 4.2Å; Q276-V291 HydrophobicContact CG-CG1 3.82Å |
| 277 | A | 94.3 | Very high | 93.7 | Very high | 65 Ų | 65 | 64.9 Ų | 64.9 | 54% | 0.537 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R273 D274 T275 K280 G281 | R273-A277 WeakPolarHBondContact O-CB 3.24Å; R273-A277 PolarHBondContact O-N 2.93Å; D274-A277 PolarHBondContact O-N 3.42Å; T275-A277 VanDerWaalsContact C-N 3.31Å; T275-A277 PolarHBondContact O-N 3.34Å; A277-K280 PolarHBondContact O-N 2.92Å; A277-G281 PolarHBondContact O-N 3.39Å |
| 278 | A | 94.9 | Very high | 93.5 | Very high | 55 Ų | 55 | 70.1 Ų | 70.1 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.1 | -52.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D274 T275 K280 G281 Q282 | D274-A278 PolarHBondContact O-N 3.46Å; D274-A278 VanDerWaalsContact O-N 3.12Å; T275-A278 PolarHBondContact O-N 3.07Å; A278-K280 PolarHBondContact O-N 3.07Å; A278-G281 PolarHBondContact O-N 3.42Å; A278-Q282 PolarHBondContact O-N 3.03Å; A278-Q282 VanDerWaalsContact O-N 3.11Å |
| 279 | I | 93.7 | Very high | 93.6 | Very high | 18 Ų | 18 | 68.1 Ų | 68.1 | 9% | 0.092 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64 | -41 | -179.6 | -63.5 | 164.8 | 0 | 0 | 0 | 110.8 | T275 G281 Q282 N283 V291 I294 V295 M298 | T275-I279 HydrophobicContact CG2-CD1 3.83Å; T275-I279 HydrophobicContact CG2-CG1 4.37Å; T275-I279 WeakPolarHBondContact O-CG1 3.4Å; T275-I279 PolarHBondContact O-N 3.32Å; I279-G281 VanDerWaalsContact C-N 3.33Å; I279-G281 PolarHBondContact O-N 3.06Å; I279-Q282 PolarHBondContact O-N 3.18Å; I279-N283 WeakPolarHBondContact O-CB 3.46Å; I279-N283 PolarHBondContact O-N 3.25Å; I279-V291 HydrophobicContact CB-CG1 4.02Å; I279-V291 HydrophobicContact CD1-CG1 4.25Å; I279-V291 HydrophobicContact CG2-CB 4.41Å; I279-V291 HydrophobicContact CG2-CG1 3.98Å; I279-V291 HydrophobicContact CG2-CG2 3.83Å; I279-I294 HydrophobicContact CD1-CB 4.11Å; I279-I294 HydrophobicContact CD1-CG2 3.6Å; I279-V295 HydrophobicContact CD1-CG2 3.78Å; I279-M298 HydrophobicContact CD1-SD 4.14Å |
| 280 | K | 92.8 | Very high | 93.6 | Very high | 85 Ų | 85 | 71.1 Ų | 71.1 | 37% | 0.37 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.2 | -27.7 | -179.4 | -169.4 | 56.4 | 167.4 | 172.9 | 0 | 112.8 | Q276 A277 A278 N283 P284 A286 | Q276-K280 WeakPolarHBondContact O-CB 3.3Å; Q276-K280 PolarHBondContact O-N 2.89Å; A277-K280 PolarHBondContact O-N 2.92Å; A278-K280 PolarHBondContact O-N 3.07Å; K280-N283 CarbonylContact O-C 3.44Å; K280-P284 PolarHBondContact NZ-O 2.84Å; K280-P284 WeakPolarHBondContact O-CA 3.45Å; K280-A286 PolarHBondContact NZ-O 2.74Å |
| 281 | G | 92.4 | Very high | 93.7 | Very high | 63 Ų | 63 | 69.1 Ų | 69.1 | 65% | 0.649 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.2 | -42.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A277 A278 I279 | A277-G281 PolarHBondContact O-N 3.39Å; A278-G281 PolarHBondContact O-N 3.42Å; I279-G281 VanDerWaalsContact C-N 3.33Å; I279-G281 PolarHBondContact O-N 3.06Å |
| 282 | Q | 93.1 | Very high | 93.7 | Very high | 146 Ų | 146 | 70 Ų | 70 | 68% | 0.682 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -72.2 | -36.7 | 175.5 | -66.8 | 177.3 | 3.8 | 0 | 0 | 112.8 | A278 I279 P284 | A278-Q282 PolarHBondContact O-N 3.03Å; A278-Q282 VanDerWaalsContact O-N 3.11Å; I279-Q282 PolarHBondContact O-N 3.18Å; Q282-P284 WeakPolarHBondContact O-CD 3.34Å |
| 283 | N | 88.8 | Confident | 93.7 | Very high | 80 Ų | 80 | 76.3 Ų | 76.3 | 43% | 0.428 | 42% | 0.424 | S | S | . | . | | | trans | -125.9 | 73.1 | -174.4 | -64.5 | -86.6 | 0 | 0 | 0 | 110.6 | I279 K280 N285 A286 | I279-N283 WeakPolarHBondContact O-CB 3.46Å; I279-N283 PolarHBondContact O-N 3.25Å; K280-N283 CarbonylContact O-C 3.44Å; N283-N285 PolarHBondContact O-N 3.33Å; N283-N285 VanDerWaalsContact O-N 3.15Å; N283-A286 HydrophobicContact CB-CB 3.87Å; N283-A286 WeakPolarHBondContact O-CB 3.47Å; N283-A286 PolarHBondContact O-N 2.77Å |
| 284 | P | 91.4 | Very high | 93.7 | Very high | 87 Ų | 87 | 72.6 Ų | 72.6 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -26.6 | -178.2 | 24 | -34.4 | 0 | 0 | 0 | 112.9 | K280 Q282 | K280-P284 PolarHBondContact NZ-O 2.84Å; K280-P284 WeakPolarHBondContact O-CA 3.45Å; Q282-P284 WeakPolarHBondContact O-CD 3.34Å |
| 285 | N | 92.6 | Very high | 93.8 | Very high | 161 Ų | 161 | 68.9 Ų | 68.9 | 86% | 0.861 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -17.2 | 177.5 | -66.1 | -23.3 | 0 | 0 | 0 | 114.1 | N283 T287 | N283-N285 PolarHBondContact O-N 3.33Å; N283-N285 VanDerWaalsContact O-N 3.15Å; N285-T287 PolarHBondContact O-N 3.47Å |
| 286 | A | 91.5 | Very high | 93.9 | Very high | 20 Ų | 20 | 69.6 Ų | 69.6 | 17% | 0.165 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -64.1 | 136.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K280 N283 V291 | K280-A286 PolarHBondContact NZ-O 2.74Å; N283-A286 HydrophobicContact CB-CB 3.87Å; N283-A286 WeakPolarHBondContact O-CB 3.47Å; N283-A286 PolarHBondContact O-N 2.77Å; A286-V291 HydrophobicContact CB-CG2 3.86Å |
| 287 | T | 95.3 | Very high | 94 | Very high | 78 Ų | 78 | 70.6 Ų | 70.6 | 48% | 0.479 | 42% | 0.415 | S | S | . | . | | | trans | -72.2 | 156.3 | 177.5 | 72 | 0 | 0 | 0 | 0 | 110.9 | N285 G289 E290 V291 | N285-T287 PolarHBondContact O-N 3.47Å; T287-G289 PolarHBondContact O-N 3.46Å; T287-E290 WeakPolarHBondContact CA-OE2 3.38Å; T287-E290 WeakPolarHBondContact CB-OE2 3.44Å; T287-E290 VanDerWaalsContact CG2-OE2 3.3Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.19Å; T287-E290 PolarHBondContact N-OE2 3.27Å; T287-E290 PolarHBondContact O-N 3.11Å; T287-E290 VanDerWaalsContact OG1-CD 3.24Å; T287-E290 WeakPolarHBondContact OG1-CG 3.43Å; T287-E290 PolarHBondContact OG1-N 3.05Å; T287-E290 PolarHBondContact OG1-OE2 2.86Å; T287-V291 WeakPolarHBondContact O-CG2 2.95Å; T287-V291 PolarHBondContact O-N 3.44Å; T287-V291 VanDerWaalsContact O-N 3.14Å |
| 288 | F | 91.8 | Very high | 94 | Very high | 126 Ų | 126 | 71.8 Ų | 71.8 | 55% | 0.553 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.2 | -30.8 | 176.6 | -178.5 | -99 | 0 | 0 | 0 | 112.5 | F272 S292 | F272-F288 AromaticContact CE1-CE2 3.92Å; F272-F288 HydrophobicContact CE1-CE2 3.92Å; F272-F288 AromaticContact CE1-CZ 3.97Å; F272-F288 HydrophobicContact CE1-CZ 3.97Å; F272-F288 AromaticContact CZ-CE2 3.94Å; F272-F288 HydrophobicContact CZ-CE2 3.94Å; F272-F288 AromaticContact CZ-CZ 3.73Å; F272-F288 HydrophobicContact CZ-CZ 3.73Å; F288-S292 WeakPolarHBondContact CE1-OG 3.31Å; F288-S292 VanDerWaalsContact O-CB 3.28Å; F288-S292 WeakPolarHBondContact O-CB 3.4Å; F288-S292 PolarHBondContact O-N 3.47Å; F288-S292 PolarHBondContact O-OG 3.37Å |
| 289 | G | 95.8 | Very high | 94.1 | Very high | 40 Ų | 40 | 71 Ų | 71 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T287 K293 | T287-G289 PolarHBondContact O-N 3.46Å; G289-K293 WeakPolarHBondContact O-CG 3.26Å; G289-K293 PolarHBondContact O-N 2.8Å |
| 290 | E | 94.8 | Very high | 94.2 | Very high | 96 Ų | 96 | 75.5 Ų | 75.5 | 45% | 0.449 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67 | -48.4 | 175.4 | -68.2 | 151.6 | 145.9 | 0 | 0 | 110.8 | T287 S292 K293 I294 | T287-E290 WeakPolarHBondContact CA-OE2 3.38Å; T287-E290 WeakPolarHBondContact CB-OE2 3.44Å; T287-E290 VanDerWaalsContact CG2-OE2 3.3Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.19Å; T287-E290 PolarHBondContact N-OE2 3.27Å; T287-E290 PolarHBondContact O-N 3.11Å; T287-E290 VanDerWaalsContact OG1-CD 3.24Å; T287-E290 WeakPolarHBondContact OG1-CG 3.43Å; T287-E290 PolarHBondContact OG1-N 3.05Å; T287-E290 PolarHBondContact OG1-OE2 2.86Å; E290-S292 VanDerWaalsContact C-N 3.3Å; E290-S292 PolarHBondContact O-N 2.95Å; E290-K293 PolarHBondContact O-N 2.93Å; E290-K293 VanDerWaalsContact O-N 3.17Å; E290-I294 WeakPolarHBondContact O-CG1 3.41Å; E290-I294 PolarHBondContact O-N 3.42Å; E290-I294 VanDerWaalsContact O-N 3.09Å |
| 291 | V | 95.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.012 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 177 | -178.6 | 0 | 0 | 0 | 0 | 111 | Q276 I279 A286 T287 K293 I294 V295 | Q276-V291 HydrophobicContact CB-CG1 4.2Å; Q276-V291 HydrophobicContact CG-CG1 3.82Å; I279-V291 HydrophobicContact CB-CG1 4.02Å; I279-V291 HydrophobicContact CD1-CG1 4.25Å; I279-V291 HydrophobicContact CG2-CB 4.41Å; I279-V291 HydrophobicContact CG2-CG1 3.98Å; I279-V291 HydrophobicContact CG2-CG2 3.83Å; A286-V291 HydrophobicContact CB-CG2 3.86Å; T287-V291 WeakPolarHBondContact O-CG2 2.95Å; T287-V291 PolarHBondContact O-N 3.44Å; T287-V291 VanDerWaalsContact O-N 3.14Å; V291-K293 VanDerWaalsContact C-N 3.33Å; V291-K293 PolarHBondContact O-N 3.05Å; V291-I294 PolarHBondContact O-N 2.83Å; V291-V295 HydrophobicContact CG1-CG2 4.09Å; V291-V295 WeakPolarHBondContact O-CB 3.45Å; V291-V295 VanDerWaalsContact O-CG2 3.24Å; V291-V295 WeakPolarHBondContact O-CG2 3.47Å; V291-V295 PolarHBondContact O-N 3.46Å |
| 292 | S | 95.6 | Very high | 94.4 | Very high | 27 Ų | 27 | 73.3 Ų | 73.3 | 19% | 0.189 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 177.7 | -61.3 | 0 | 0 | 0 | 0 | 113 | F288 E290 A296 | F288-S292 WeakPolarHBondContact CE1-OG 3.31Å; F288-S292 VanDerWaalsContact O-CB 3.28Å; F288-S292 WeakPolarHBondContact O-CB 3.4Å; F288-S292 PolarHBondContact O-N 3.47Å; F288-S292 PolarHBondContact O-OG 3.37Å; E290-S292 VanDerWaalsContact C-N 3.3Å; E290-S292 PolarHBondContact O-N 2.95Å; S292-A296 WeakPolarHBondContact O-CB 3.23Å; S292-A296 PolarHBondContact O-N 2.92Å |
| 293 | K | 95.9 | Very high | 94.6 | Very high | 165 Ų | 165 | 68.1 Ų | 68.1 | 72% | 0.717 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.6 | -43.9 | 176.8 | -72.7 | 176.2 | 177.3 | -173.9 | 0 | 112 | G289 E290 V291 A296 S297 | G289-K293 WeakPolarHBondContact O-CG 3.26Å; G289-K293 PolarHBondContact O-N 2.8Å; E290-K293 PolarHBondContact O-N 2.93Å; E290-K293 VanDerWaalsContact O-N 3.17Å; V291-K293 VanDerWaalsContact C-N 3.33Å; V291-K293 PolarHBondContact O-N 3.05Å; K293-A296 PolarHBondContact O-N 3.43Å; K293-S297 PolarHBondContact O-N 3.46Å |
| 294 | I | 94.7 | Very high | 94.9 | Very high | 61 Ų | 61 | 68.8 Ų | 68.8 | 31% | 0.313 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 177.5 | -61.4 | 163.2 | 0 | 0 | 0 | 109.8 | I279 E290 V291 A296 S297 M298 | I279-I294 HydrophobicContact CD1-CB 4.11Å; I279-I294 HydrophobicContact CD1-CG2 3.6Å; E290-I294 WeakPolarHBondContact O-CG1 3.41Å; E290-I294 PolarHBondContact O-N 3.42Å; E290-I294 VanDerWaalsContact O-N 3.09Å; V291-I294 PolarHBondContact O-N 2.83Å; I294-A296 PolarHBondContact O-N 3.24Å; I294-S297 PolarHBondContact O-N 3.15Å; I294-M298 HydrophobicContact CG2-CG 4.31Å; I294-M298 HydrophobicContact CG2-SD 3.94Å; I294-M298 WeakPolarHBondContact O-CB 3.34Å; I294-M298 VanDerWaalsContact O-CG 3.3Å; I294-M298 WeakPolarHBondContact O-CG 3.11Å; I294-M298 PolarHBondContact O-N 3.28Å |
| 295 | V | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 178.2 | 171.8 | 0 | 0 | 0 | 0 | 112.3 | Y268 F271 F272 T275 I279 V291 M298 W299 | Y268-V295 HydrophobicContact CE2-CG1 4.47Å; F271-V295 HydrophobicContact CD1-CG1 4.2Å; F271-V295 HydrophobicContact CE1-CG1 4.07Å; F272-V295 HydrophobicContact CB-CG1 4.03Å; F272-V295 HydrophobicContact CD2-CB 4.12Å; F272-V295 HydrophobicContact CD2-CG1 3.36Å; F272-V295 HydrophobicContact CE2-CB 4.25Å; F272-V295 HydrophobicContact CE2-CG1 3.99Å; F272-V295 HydrophobicContact CG-CG1 3.88Å; T275-V295 HydrophobicContact CG2-CG2 3.96Å; I279-V295 HydrophobicContact CD1-CG2 3.78Å; V291-V295 HydrophobicContact CG1-CG2 4.09Å; V291-V295 WeakPolarHBondContact O-CB 3.45Å; V291-V295 VanDerWaalsContact O-CG2 3.24Å; V291-V295 WeakPolarHBondContact O-CG2 3.47Å; V291-V295 PolarHBondContact O-N 3.46Å; V295-M298 PolarHBondContact O-N 2.74Å; V295-W299 PolarHBondContact O-N 3.2Å |
| 296 | A | 96 | Very high | 95.2 | Very high | 30 Ų | 30 | 69.1 Ų | 69.1 | 25% | 0.248 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.5 | -52.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S292 K293 I294 M298 W299 D300 | S292-A296 WeakPolarHBondContact O-CB 3.23Å; S292-A296 PolarHBondContact O-N 2.92Å; K293-A296 PolarHBondContact O-N 3.43Å; I294-A296 PolarHBondContact O-N 3.24Å; A296-M298 VanDerWaalsContact C-N 3.3Å; A296-M298 PolarHBondContact O-N 3.35Å; A296-W299 WeakPolarHBondContact O-CB 3.29Å; A296-W299 PolarHBondContact O-N 3.23Å; A296-D300 PolarHBondContact O-N 3.15Å |
| 297 | S | 96.5 | Very high | 95.3 | Very high | 78 Ų | 78 | 70 Ų | 70 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.4 | -38 | 177.7 | 177.2 | 0 | 0 | 0 | 0 | 113.1 | K293 I294 G301 | K293-S297 PolarHBondContact O-N 3.46Å; I294-S297 PolarHBondContact O-N 3.15Å; S297-G301 PolarHBondContact O-N 3.01Å |
| 298 | M | 95.3 | Very high | 95.3 | Very high | 89 Ų | 89 | 70.1 Ų | 70.1 | 44% | 0.438 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67 | -39 | 174.1 | -73.2 | -179.8 | 69.2 | 0 | 0 | 112.5 | F271 T275 I279 I294 V295 A296 L302 | F271-M298 HydrophobicContact CE1-CB 4.31Å; F271-M298 HydrophobicContact CZ-CB 3.97Å; T275-M298 HydrophobicContact CG2-CE 3.73Å; T275-M298 HydrophobicContact CG2-SD 3.68Å; I279-M298 HydrophobicContact CD1-SD 4.14Å; I294-M298 HydrophobicContact CG2-CG 4.31Å; I294-M298 HydrophobicContact CG2-SD 3.94Å; I294-M298 WeakPolarHBondContact O-CB 3.34Å; I294-M298 VanDerWaalsContact O-CG 3.3Å; I294-M298 WeakPolarHBondContact O-CG 3.11Å; I294-M298 PolarHBondContact O-N 3.28Å; V295-M298 PolarHBondContact O-N 2.74Å; A296-M298 VanDerWaalsContact C-N 3.3Å; A296-M298 PolarHBondContact O-N 3.35Å; M298-L302 WeakPolarHBondContact O-CG 3.47Å; M298-L302 PolarHBondContact O-N 3.01Å |
| 299 | W | 95.8 | Very high | 95.4 | Very high | 40 Ų | 40 | 67.2 Ų | 67.2 | 15% | 0.152 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 175.7 | 173.6 | -100 | 0 | 0 | 0 | 111.4 | A267 Y268 F271 V295 A296 G301 L302 K307 Y310 | A267-W299 HydrophobicContact CB-CH2 4.06Å; Y268-W299 HydrophobicContact CD2-CB 3.87Å; Y268-W299 AromaticContact CD2-CD1 3.73Å; Y268-W299 AromaticContact CD2-CD2 3.6Å; Y268-W299 HydrophobicContact CD2-CD2 3.6Å; Y268-W299 AromaticContact CD2-CE2 3.97Å; Y268-W299 HydrophobicContact CD2-CE3 4.17Å; Y268-W299 AromaticContact CD2-CG 3.44Å; Y268-W299 HydrophobicContact CD2-CG 3.44Å; Y268-W299 VanDerWaalsContact CD2-CG 3.44Å; Y268-W299 HydrophobicContact CE2-CB 3.73Å; Y268-W299 HydrophobicContact CE2-CD2 4.4Å; Y268-W299 AromaticContact CE2-CG 3.79Å; Y268-W299 HydrophobicContact CE2-CG 3.79Å; Y268-W299 HydrophobicContact CG-CD2 4.46Å; F271-W299 HydrophobicContact CB-CE3 3.74Å; F271-W299 HydrophobicContact CB-CZ3 3.78Å; F271-W299 HydrophobicContact CD1-CB 3.89Å; F271-W299 HydrophobicContact CD1-CD2 4.29Å; F271-W299 AromaticContact CD1-CE3 3.59Å; F271-W299 HydrophobicContact CD1-CE3 3.59Å; F271-W299 HydrophobicContact CD1-CG 4.45Å; F271-W299 HydrophobicContact CD1-CZ3 4.48Å; F271-W299 HydrophobicContact CD2-CE3 4.26Å; F271-W299 HydrophobicContact CE1-CB 3.65Å; F271-W299 HydrophobicContact CE1-CE3 4.23Å; F271-W299 AromaticContact CG-CE3 3.59Å; F271-W299 HydrophobicContact CG-CE3 3.59Å; F271-W299 HydrophobicContact CG-CZ3 4.07Å; V295-W299 PolarHBondContact O-N 3.2Å; A296-W299 WeakPolarHBondContact O-CB 3.29Å; A296-W299 PolarHBondContact O-N 3.23Å; W299-G301 VanDerWaalsContact C-N 3.26Å; W299-G301 PolarHBondContact O-N 3.2Å; W299-L302 HydrophobicContact CE3-CD1 3.69Å; W299-L302 HydrophobicContact CZ3-CD1 4.03Å; W299-L302 WeakPolarHBondContact O-CB 3.35Å; W299-L302 PolarHBondContact O-N 2.87Å; W299-K307 HydrophobicContact CH2-CB 4.32Å; W299-K307 HydrophobicContact CH2-CG 4.05Å; W299-K307 HydrophobicContact CZ2-CG 4.04Å; W299-K307 HydrophobicContact CZ3-CG 4.36Å; W299-K307 WeakPolarHBondContact O-CE 3.37Å; W299-K307 PolarHBondContact O-NZ 2.9Å; W299-Y310 HydrophobicContact CZ3-CD2 4.08Å; W299-Y310 HydrophobicContact CZ3-CG 4.15Å |
| 300 | D | 96.3 | Very high | 95.4 | Very high | 112 Ų | 112 | 67.2 Ų | 67.2 | 60% | 0.599 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.3 | -40.5 | 180 | -63.4 | -29.3 | 0 | 0 | 0 | 110.5 | A296 L302 K307 | A296-D300 PolarHBondContact O-N 3.15Å; D300-L302 VanDerWaalsContact C-N 3.33Å; D300-L302 PolarHBondContact O-N 3.04Å; D300-K307 PolarHBondContact O-NZ 3.47Å |
| 301 | G | 95.8 | Very high | 95.3 | Very high | 68 Ų | 68 | 67.3 Ų | 67.3 | 70% | 0.701 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -5.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | S297 W299 | S297-G301 PolarHBondContact O-N 3.01Å; W299-G301 VanDerWaalsContact C-N 3.26Å; W299-G301 PolarHBondContact O-N 3.2Å |
| 302 | L | 94.8 | Very high | 95.3 | Very high | 33 Ų | 33 | 73.4 Ų | 73.4 | 17% | 0.173 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -68.5 | 141.8 | 172.5 | -70.2 | -175.6 | 0 | 0 | 0 | 111.2 | F271 M298 W299 D300 Q306 K307 Y310 | F271-L302 HydrophobicContact CD2-CD1 3.97Å; F271-L302 HydrophobicContact CE2-CD1 3.74Å; F271-L302 HydrophobicContact CE2-CD2 4.33Å; F271-L302 HydrophobicContact CE2-CG 4.33Å; F271-L302 HydrophobicContact CZ-CD1 4.15Å; F271-L302 HydrophobicContact CZ-CG 4.41Å; M298-L302 WeakPolarHBondContact O-CG 3.47Å; M298-L302 PolarHBondContact O-N 3.01Å; W299-L302 HydrophobicContact CE3-CD1 3.69Å; W299-L302 HydrophobicContact CZ3-CD1 4.03Å; W299-L302 WeakPolarHBondContact O-CB 3.35Å; W299-L302 PolarHBondContact O-N 2.87Å; D300-L302 VanDerWaalsContact C-N 3.33Å; D300-L302 PolarHBondContact O-N 3.04Å; L302-Q306 HydrophobicContact CB-CB 4.16Å; L302-Q306 HydrophobicContact CD1-CB 4.26Å; L302-Q306 HydrophobicContact CD2-CB 4.23Å; L302-Q306 HydrophobicContact CG-CB 4.46Å; L302-K307 HydrophobicContact CB-CD 4.4Å; L302-K307 HydrophobicContact CB-CG 4.01Å; L302-K307 HydrophobicContact CD1-CG 4.48Å; L302-K307 VanDerWaalsContact O-CE 3.31Å; L302-K307 WeakPolarHBondContact O-CE 3.34Å; L302-K307 PolarHBondContact O-NZ 2.94Å; L302-Y310 HydrophobicContact CD1-CD2 4.32Å; L302-Y310 HydrophobicContact CD1-CE2 4.32Å |
| 303 | G | 96.4 | Very high | 95.2 | Very high | 38 Ų | 38 | 76.8 Ų | 76.8 | 39% | 0.392 | 40% | 0.401 | S | S | . | . | | | trans | -65.1 | 155 | 168 | 0 | 0 | 0 | 0 | 0 | 111.8 | E305 Q306 K307 | G303-E305 PolarHBondContact O-N 3.46Å; G303-Q306 WeakPolarHBondContact O-CB 3.16Å; G303-Q306 PolarHBondContact O-N 3.28Å; G303-K307 PolarHBondContact O-N 3.03Å |
| 304 | E | 95.2 | Very high | 95.1 | Very high | 93 Ų | 93 | 70.2 Ų | 70.2 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.3 | -29.3 | -178.3 | 178.6 | 52 | -155.2 | 0 | 0 | 112.4 | Q306 K307 Q308 K311 | E304-Q306 VanDerWaalsContact C-N 3.35Å; E304-Q306 PolarHBondContact O-N 2.6Å; E304-K307 CarbonylContact O-C 3.5Å; E304-K307 PolarHBondContact O-N 2.91Å; E304-Q308 HydrophobicContact CG-CG 4.26Å; E304-Q308 VanDerWaalsContact O-CB 3.29Å; E304-Q308 WeakPolarHBondContact O-CB 3.47Å; E304-Q308 WeakPolarHBondContact O-CG 3.31Å; E304-Q308 PolarHBondContact O-N 3.32Å; E304-Q308 WeakPolarHBondContact OE1-CG 3.41Å; E304-K311 IonicContact OE1-NZ 2.63Å; E304-K311 PolarHBondContact OE1-NZ 3.3Å; E304-K311 IonicContact OE2-NZ 3.48Å; E304-K311 PolarHBondContact OE2-NZ 3.41Å |
| 305 | E | 95.2 | Very high | 95.2 | Very high | 160 Ų | 160 | 73.7 Ų | 73.7 | 75% | 0.748 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.9 | -41.6 | 171.7 | -169.5 | -170.1 | 112.9 | 0 | 0 | 112.4 | G303 Q308 V309 | G303-E305 PolarHBondContact O-N 3.46Å; E305-Q308 WeakPolarHBondContact O-CB 3.38Å; E305-Q308 PolarHBondContact O-N 2.92Å; E305-V309 WeakPolarHBondContact O-CG2 3.37Å; E305-V309 PolarHBondContact O-N 2.65Å |
| 306 | Q | 94.4 | Very high | 95.1 | Very high | 96 Ų | 96 | 76.6 Ų | 76.6 | 45% | 0.449 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70 | -42 | 178 | -65.6 | 160.2 | -23.4 | 0 | 0 | 110.1 | L302 G303 E304 Q308 V309 Y310 | L302-Q306 HydrophobicContact CB-CB 4.16Å; L302-Q306 HydrophobicContact CD1-CB 4.26Å; L302-Q306 HydrophobicContact CD2-CB 4.23Å; L302-Q306 HydrophobicContact CG-CB 4.46Å; G303-Q306 WeakPolarHBondContact O-CB 3.16Å; G303-Q306 PolarHBondContact O-N 3.28Å; E304-Q306 VanDerWaalsContact C-N 3.35Å; E304-Q306 PolarHBondContact O-N 2.6Å; Q306-Q308 VanDerWaalsContact C-N 3.3Å; Q306-Q308 PolarHBondContact O-N 2.66Å; Q306-V309 PolarHBondContact O-N 2.74Å; Q306-Y310 VanDerWaalsContact O-CD2 3.23Å; Q306-Y310 WeakPolarHBondContact O-CD2 3.16Å; Q306-Y310 PolarHBondContact O-N 2.92Å; Q306-Y310 VanDerWaalsContact O-N 3.15Å |
| 307 | K | 93.6 | Very high | 94.9 | Very high | 38 Ų | 38 | 77.2 Ų | 77.2 | 17% | 0.165 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 171.1 | -71.3 | 163.4 | 170.4 | 148.7 | 0 | 111.4 | W299 D300 L302 G303 E304 Y310 K311 | W299-K307 HydrophobicContact CH2-CB 4.32Å; W299-K307 HydrophobicContact CH2-CG 4.05Å; W299-K307 HydrophobicContact CZ2-CG 4.04Å; W299-K307 HydrophobicContact CZ3-CG 4.36Å; W299-K307 WeakPolarHBondContact O-CE 3.37Å; W299-K307 PolarHBondContact O-NZ 2.9Å; D300-K307 PolarHBondContact O-NZ 3.47Å; L302-K307 HydrophobicContact CB-CD 4.4Å; L302-K307 HydrophobicContact CB-CG 4.01Å; L302-K307 HydrophobicContact CD1-CG 4.48Å; L302-K307 VanDerWaalsContact O-CE 3.31Å; L302-K307 WeakPolarHBondContact O-CE 3.34Å; L302-K307 PolarHBondContact O-NZ 2.94Å; G303-K307 PolarHBondContact O-N 3.03Å; E304-K307 CarbonylContact O-C 3.5Å; E304-K307 PolarHBondContact O-N 2.91Å; K307-Y310 PolarHBondContact O-N 3.41Å; K307-K311 WeakPolarHBondContact O-CG 3.37Å; K307-K311 PolarHBondContact O-N 2.98Å |
| 308 | Q | 95.3 | Very high | 94.8 | Very high | 80 Ų | 80 | 79.5 Ų | 79.5 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 173.2 | -76.4 | -110.9 | 5.1 | 0 | 0 | 112.7 | E304 E305 Q306 Y310 K311 K312 | E304-Q308 HydrophobicContact CG-CG 4.26Å; E304-Q308 VanDerWaalsContact O-CB 3.29Å; E304-Q308 WeakPolarHBondContact O-CB 3.47Å; E304-Q308 WeakPolarHBondContact O-CG 3.31Å; E304-Q308 PolarHBondContact O-N 3.32Å; E304-Q308 WeakPolarHBondContact OE1-CG 3.41Å; E305-Q308 WeakPolarHBondContact O-CB 3.38Å; E305-Q308 PolarHBondContact O-N 2.92Å; Q306-Q308 VanDerWaalsContact C-N 3.3Å; Q306-Q308 PolarHBondContact O-N 2.66Å; Q308-Y310 VanDerWaalsContact C-N 3.3Å; Q308-Y310 PolarHBondContact O-N 3.43Å; Q308-K311 PolarHBondContact O-N 3.45Å; Q308-K312 WeakPolarHBondContact O-CB 3.31Å; Q308-K312 WeakPolarHBondContact O-CG 3.21Å; Q308-K312 PolarHBondContact O-N 2.93Å |
| 309 | V | 95.4 | Very high | 94.7 | Very high | 66 Ų | 66 | 83.2 Ų | 83.2 | 40% | 0.4 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 173.4 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | E305 Q306 K313 | E305-V309 WeakPolarHBondContact O-CG2 3.37Å; E305-V309 PolarHBondContact O-N 2.65Å; Q306-V309 PolarHBondContact O-N 2.74Å; V309-K313 HydrophobicContact CG1-CD 4.18Å; V309-K313 WeakPolarHBondContact O-CB 3.39Å; V309-K313 VanDerWaalsContact O-CG 3.26Å; V309-K313 WeakPolarHBondContact O-CG 3.41Å; V309-K313 PolarHBondContact O-N 2.85Å |
| 310 | Y | 94.6 | Very high | 94.6 | Very high | 39 Ų | 39 | 84.6 Ų | 84.6 | 15% | 0.153 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -69.5 | -37.2 | 174.4 | -74.2 | -75.9 | 0 | 0 | 0 | 113.3 | L270 F271 W299 L302 Q306 K307 Q308 K313 T314 | L270-Y310 HydrophobicContact CB-CD1 4.35Å; L270-Y310 HydrophobicContact CD2-CD1 4Å; L270-Y310 HydrophobicContact CD2-CE1 4.39Å; F271-Y310 HydrophobicContact CB-CD1 4.02Å; F271-Y310 HydrophobicContact CB-CD2 4.43Å; F271-Y310 HydrophobicContact CB-CE1 4.03Å; F271-Y310 HydrophobicContact CB-CE2 4.44Å; F271-Y310 HydrophobicContact CB-CG 4.26Å; F271-Y310 HydrophobicContact CD2-CD2 4.29Å; F271-Y310 HydrophobicContact CD2-CE1 4.32Å; F271-Y310 AromaticContact CD2-CE2 3.67Å; F271-Y310 HydrophobicContact CD2-CE2 3.67Å; F271-Y310 AromaticContact CD2-CZ 3.71Å; F271-Y310 HydrophobicContact CE2-CE2 4.46Å; F271-Y310 HydrophobicContact CG-CE2 4.49Å; W299-Y310 HydrophobicContact CZ3-CD2 4.08Å; W299-Y310 HydrophobicContact CZ3-CG 4.15Å; L302-Y310 HydrophobicContact CD1-CD2 4.32Å; L302-Y310 HydrophobicContact CD1-CE2 4.32Å; Q306-Y310 VanDerWaalsContact O-CD2 3.23Å; Q306-Y310 WeakPolarHBondContact O-CD2 3.16Å; Q306-Y310 PolarHBondContact O-N 2.92Å; Q306-Y310 VanDerWaalsContact O-N 3.15Å; K307-Y310 PolarHBondContact O-N 3.41Å; Q308-Y310 VanDerWaalsContact C-N 3.3Å; Q308-Y310 PolarHBondContact O-N 3.43Å; Y310-K313 HydrophobicContact CD1-CD 4.33Å; Y310-K313 HydrophobicContact CE1-CD 4.47Å; Y310-K313 PolarHBondContact O-N 3.22Å; Y310-T314 PolarHBondContact O-N 3.17Å; Y310-T314 PolarHBondContact O-OG1 3.44Å |
| 311 | K | 93.9 | Very high | 94.4 | Very high | 99 Ų | 99 | 81 Ų | 81 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.6 | -52.8 | 171.1 | -69.7 | 168.4 | -173.1 | 173.7 | 0 | 110.9 | A267 E304 K307 Q308 K313 T314 E315 | A267-K311 HydrophobicContact CB-CG 4.25Å; E304-K311 IonicContact OE1-NZ 2.63Å; E304-K311 PolarHBondContact OE1-NZ 3.3Å; E304-K311 IonicContact OE2-NZ 3.48Å; E304-K311 PolarHBondContact OE2-NZ 3.41Å; K307-K311 WeakPolarHBondContact O-CG 3.37Å; K307-K311 PolarHBondContact O-N 2.98Å; Q308-K311 PolarHBondContact O-N 3.45Å; K311-K313 PolarHBondContact O-N 2.91Å; K311-T314 PolarHBondContact O-N 2.72Å; K311-E315 PolarHBondContact O-N 2.8Å |
| 312 | K | 95.3 | Very high | 94.3 | Very high | 129 Ų | 129 | 82.4 Ų | 82.4 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62 | -40.2 | 179.1 | -70.1 | 173.6 | -178.3 | 177.8 | 0 | 112.6 | Q308 E315 A316 | Q308-K312 WeakPolarHBondContact O-CB 3.31Å; Q308-K312 WeakPolarHBondContact O-CG 3.21Å; Q308-K312 PolarHBondContact O-N 2.93Å; K312-E315 PolarHBondContact O-N 3.37Å; K312-A316 WeakPolarHBondContact O-CB 3.36Å; K312-A316 PolarHBondContact O-N 2.83Å |
| 313 | K | 93 | Very high | 94.2 | Very high | 98 Ų | 98 | 86.8 Ų | 86.8 | 43% | 0.426 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 172.6 | -77.6 | 173.5 | 177.5 | -178.6 | 0 | 112.2 | L270 V309 Y310 K311 A317 | L270-K313 HydrophobicContact CD2-CB 3.8Å; L270-K313 HydrophobicContact CD2-CD 4.03Å; V309-K313 HydrophobicContact CG1-CD 4.18Å; V309-K313 WeakPolarHBondContact O-CB 3.39Å; V309-K313 VanDerWaalsContact O-CG 3.26Å; V309-K313 WeakPolarHBondContact O-CG 3.41Å; V309-K313 PolarHBondContact O-N 2.85Å; Y310-K313 HydrophobicContact CD1-CD 4.33Å; Y310-K313 HydrophobicContact CE1-CD 4.47Å; Y310-K313 PolarHBondContact O-N 3.22Å; K311-K313 PolarHBondContact O-N 2.91Å; K313-A317 WeakPolarHBondContact O-CB 3.49Å; K313-A317 PolarHBondContact O-N 2.88Å |
| 314 | T | 94.1 | Very high | 94 | Very high | 27 Ų | 27 | 89 Ų | 89 | 17% | 0.166 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 176.3 | -78.5 | 0 | 0 | 0 | 0 | 112.1 | V265 S266 A267 Y310 K311 A317 K318 | V265-T314 VanDerWaalsContact O-CG2 3.29Å; V265-T314 WeakPolarHBondContact O-CG2 3.35Å; V265-T314 PolarHBondContact O-OG1 2.94Å; S266-T314 VanDerWaalsContact C-OG1 3.31Å; A267-T314 WeakPolarHBondContact CA-OG1 3.44Å; A267-T314 PolarHBondContact N-OG1 3.17Å; A267-T314 VanDerWaalsContact N-OG1 3.15Å; Y310-T314 PolarHBondContact O-N 3.17Å; Y310-T314 PolarHBondContact O-OG1 3.44Å; K311-T314 PolarHBondContact O-N 2.72Å; T314-A317 PolarHBondContact O-N 3.46Å; T314-K318 WeakPolarHBondContact O-CB 3.21Å; T314-K318 PolarHBondContact O-N 3.21Å |
| 315 | E | 94.9 | Very high | 93.8 | Very high | 134 Ų | 134 | 86.2 Ų | 86.2 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.8 | -46.6 | 177.2 | -169.6 | -173.2 | 167.3 | 0 | 0 | 112.1 | K311 K312 A317 K318 K319 | K311-E315 PolarHBondContact O-N 2.8Å; K312-E315 PolarHBondContact O-N 3.37Å; E315-A317 VanDerWaalsContact C-N 3.32Å; E315-A317 PolarHBondContact O-N 2.89Å; E315-K318 WeakPolarHBondContact O-CA 3.38Å; E315-K318 WeakPolarHBondContact O-CB 3.43Å; E315-K318 PolarHBondContact O-N 3.37Å; E315-K319 PolarHBondContact O-N 3.31Å |
| 316 | A | 94.9 | Very high | 93.6 | Very high | 62 Ų | 62 | 81.4 Ų | 81.4 | 51% | 0.512 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K312 K318 K319 E320 | K312-A316 WeakPolarHBondContact O-CB 3.36Å; K312-A316 PolarHBondContact O-N 2.83Å; A316-K318 VanDerWaalsContact C-N 3.31Å; A316-K318 PolarHBondContact O-N 3.42Å; A316-K319 PolarHBondContact O-N 3.43Å; A316-E320 WeakPolarHBondContact O-CB 3.24Å; A316-E320 PolarHBondContact O-N 2.93Å |
| 317 | A | 93.1 | Very high | 93.4 | Very high | 42 Ų | 42 | 79.9 Ų | 79.9 | 35% | 0.347 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.8 | -32.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P264 K313 T314 E315 Y321 | P264-A317 HydrophobicContact CB-CB 4.15Å; K313-A317 WeakPolarHBondContact O-CB 3.49Å; K313-A317 PolarHBondContact O-N 2.88Å; T314-A317 PolarHBondContact O-N 3.46Å; E315-A317 VanDerWaalsContact C-N 3.32Å; E315-A317 PolarHBondContact O-N 2.89Å; A317-Y321 VanDerWaalsContact O-CB 3.26Å; A317-Y321 WeakPolarHBondContact O-CB 3.25Å; A317-Y321 PolarHBondContact O-N 3.48Å |
| 318 | K | 92.4 | Very high | 93.2 | Very high | 126 Ų | 126 | 80.9 Ų | 80.9 | 55% | 0.548 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69 | -43.7 | 173.6 | -178.4 | -173.4 | 175.7 | -169.3 | 0 | 111.9 | P264 T314 E315 A316 Y321 L322 | P264-K318 HydrophobicContact CB-CB 4.42Å; P264-K318 HydrophobicContact CG-CB 3.98Å; P264-K318 HydrophobicContact CG-CG 4.35Å; T314-K318 WeakPolarHBondContact O-CB 3.21Å; T314-K318 PolarHBondContact O-N 3.21Å; E315-K318 WeakPolarHBondContact O-CA 3.38Å; E315-K318 WeakPolarHBondContact O-CB 3.43Å; E315-K318 PolarHBondContact O-N 3.37Å; A316-K318 VanDerWaalsContact C-N 3.31Å; A316-K318 PolarHBondContact O-N 3.42Å; K318-Y321 PolarHBondContact O-N 2.94Å; K318-L322 WeakPolarHBondContact O-CG 3.39Å; K318-L322 PolarHBondContact O-N 2.8Å; K318-L322 VanDerWaalsContact O-N 3.1Å |
| 319 | K | 93.8 | Very high | 92.9 | Very high | 168 Ų | 168 | 84.8 Ų | 84.8 | 73% | 0.73 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.6 | -44 | 174.3 | -173.3 | 173.5 | -178.4 | 174.2 | 0 | 111.2 | E315 A316 L322 K323 | E315-K319 PolarHBondContact O-N 3.31Å; A316-K319 PolarHBondContact O-N 3.43Å; K319-L322 PolarHBondContact O-N 3.06Å; K319-K323 PolarHBondContact O-N 2.91Å; K319-K323 VanDerWaalsContact O-N 3.13Å |
| 320 | E | 93.1 | Very high | 92.6 | Very high | 69 Ų | 69 | 84.7 Ų | 84.7 | 32% | 0.322 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 177.6 | -175.8 | 57.2 | -155.1 | 0 | 0 | 112.4 | A316 L322 K323 Q324 | A316-E320 WeakPolarHBondContact O-CB 3.24Å; A316-E320 PolarHBondContact O-N 2.93Å; E320-L322 VanDerWaalsContact C-N 3.31Å; E320-L322 PolarHBondContact O-N 2.93Å; E320-K323 WeakPolarHBondContact O-CB 3.46Å; E320-K323 PolarHBondContact O-N 2.63Å; E320-K323 WeakPolarHBondContact OE1-CE 3.49Å; E320-K323 IonicContact OE1-NZ 2.74Å; E320-K323 PolarHBondContact OE1-NZ 2.84Å; E320-K323 VanDerWaalsContact OE2-CE 3.31Å; E320-K323 WeakPolarHBondContact OE2-CE 3.29Å; E320-K323 IonicContact OE2-NZ 2.65Å; E320-K323 PolarHBondContact OE2-NZ 2.83Å; E320-Q324 HydrophobicContact CG-CG 4.46Å; E320-Q324 WeakPolarHBondContact O-CG 3.47Å; E320-Q324 PolarHBondContact O-N 2.91Å; E320-Q324 PolarHBondContact OE1-NE2 3.13Å |
| 321 | Y | 93.3 | Very high | 92.1 | Very high | 35 Ų | 35 | 85.4 Ų | 85.4 | 14% | 0.137 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -56.9 | -42.2 | 173.7 | 165.3 | -92.3 | 0 | 0 | 0 | 112.3 | P261 Q262 K263 A317 K318 Q324 L325 | P261-Y321 HydrophobicContact CB-CD2 4.04Å; P261-Y321 HydrophobicContact CB-CE2 4.37Å; P261-Y321 HydrophobicContact CG-CD2 4.39Å; P261-Y321 HydrophobicContact CG-CE2 4.33Å; P261-Y321 VanDerWaalsContact O-CE2 3.31Å; P261-Y321 WeakPolarHBondContact O-CE2 3.45Å; Q262-Y321 WeakPolarHBondContact O-CD2 3.34Å; K263-Y321 HydrophobicContact CB-CE2 4.33Å; K263-Y321 HydrophobicContact CG-CE2 3.79Å; A317-Y321 VanDerWaalsContact O-CB 3.26Å; A317-Y321 WeakPolarHBondContact O-CB 3.25Å; A317-Y321 PolarHBondContact O-N 3.48Å; K318-Y321 PolarHBondContact O-N 2.94Å; Y321-Q324 PolarHBondContact O-N 3.39Å; Y321-L325 HydrophobicContact CE1-CD2 4.09Å; Y321-L325 VanDerWaalsContact O-CB 3.25Å; Y321-L325 WeakPolarHBondContact O-CB 3.26Å; Y321-L325 PolarHBondContact O-N 3.38Å |
| 322 | L | 92.7 | Very high | 91.6 | Very high | 98 Ų | 98 | 84.8 Ų | 84.8 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 177.2 | -72 | 168.3 | 0 | 0 | 0 | 111.8 | K318 K319 E320 L325 A326 | K318-L322 WeakPolarHBondContact O-CG 3.39Å; K318-L322 PolarHBondContact O-N 2.8Å; K318-L322 VanDerWaalsContact O-N 3.1Å; K319-L322 PolarHBondContact O-N 3.06Å; E320-L322 VanDerWaalsContact C-N 3.31Å; E320-L322 PolarHBondContact O-N 2.93Å; L322-L325 PolarHBondContact O-N 3.14Å; L322-A326 PolarHBondContact O-N 3.48Å |
| 323 | K | 93.7 | Very high | 90.7 | Very high | 125 Ų | 125 | 83.5 Ų | 83.5 | 54% | 0.543 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 174.7 | -167.8 | -163.9 | 77.4 | -164.3 | 0 | 111.5 | K319 E320 A326 A327 | K319-K323 PolarHBondContact O-N 2.91Å; K319-K323 VanDerWaalsContact O-N 3.13Å; E320-K323 WeakPolarHBondContact O-CB 3.46Å; E320-K323 PolarHBondContact O-N 2.63Å; E320-K323 WeakPolarHBondContact OE1-CE 3.49Å; E320-K323 IonicContact OE1-NZ 2.74Å; E320-K323 PolarHBondContact OE1-NZ 2.84Å; E320-K323 VanDerWaalsContact OE2-CE 3.31Å; E320-K323 WeakPolarHBondContact OE2-CE 3.29Å; E320-K323 IonicContact OE2-NZ 2.65Å; E320-K323 PolarHBondContact OE2-NZ 2.83Å; K323-A326 PolarHBondContact O-N 3.45Å; K323-A327 PolarHBondContact O-N 3.27Å |
| 324 | Q | 92 | Very high | 89.9 | Confident | 85 Ų | 85 | 82.4 Ų | 82.4 | 40% | 0.397 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.3 | -35.4 | 177.8 | -68.8 | 179.8 | 12.1 | 0 | 0 | 112.3 | P261 E320 Y321 A327 Y328 | P261-Q324 HydrophobicContact CB-CB 3.78Å; P261-Q324 HydrophobicContact CG-CB 4.14Å; E320-Q324 HydrophobicContact CG-CG 4.46Å; E320-Q324 WeakPolarHBondContact O-CG 3.47Å; E320-Q324 PolarHBondContact O-N 2.91Å; E320-Q324 PolarHBondContact OE1-NE2 3.13Å; Y321-Q324 PolarHBondContact O-N 3.39Å; Q324-A327 PolarHBondContact O-N 3.04Å; Q324-Y328 VanDerWaalsContact O-CB 3.24Å; Q324-Y328 WeakPolarHBondContact O-CB 3.45Å; Q324-Y328 PolarHBondContact O-N 3.39Å |
| 325 | L | 91.3 | Very high | 88.8 | Confident | 34 Ų | 34 | 88.6 Ų | 88.6 | 18% | 0.178 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 175.9 | -178.1 | 63 | 0 | 0 | 0 | 111.9 | P261 Y321 L322 R329 | P261-L325 HydrophobicContact CG-CB 4.25Å; P261-L325 HydrophobicContact CG-CD1 4.46Å; Y321-L325 HydrophobicContact CE1-CD2 4.09Å; Y321-L325 VanDerWaalsContact O-CB 3.25Å; Y321-L325 WeakPolarHBondContact O-CB 3.26Å; Y321-L325 PolarHBondContact O-N 3.38Å; L322-L325 PolarHBondContact O-N 3.14Å; L325-R329 WeakPolarHBondContact O-CB 3.49Å; L325-R329 VanDerWaalsContact O-CG 3.26Å; L325-R329 WeakPolarHBondContact O-CG 3.26Å; L325-R329 PolarHBondContact O-N 3.27Å |
| 326 | A | 90.7 | Very high | 87.2 | Confident | 60 Ų | 60 | 86.7 Ų | 86.7 | 50% | 0.496 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L322 K323 Y328 R329 A330 | L322-A326 PolarHBondContact O-N 3.48Å; K323-A326 PolarHBondContact O-N 3.45Å; A326-Y328 VanDerWaalsContact C-N 3.34Å; A326-Y328 PolarHBondContact O-N 3.48Å; A326-R329 PolarHBondContact O-N 3.23Å; A326-A330 PolarHBondContact O-N 3.24Å |
| 327 | A | 90.6 | Very high | 85.3 | Confident | 63 Ų | 63 | 94.1 Ų | 94.1 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K323 Q324 A330 S331 | K323-A327 PolarHBondContact O-N 3.27Å; Q324-A327 PolarHBondContact O-N 3.04Å; A327-A330 PolarHBondContact O-N 3.45Å; A327-S331 WeakPolarHBondContact O-CB 3.48Å; A327-S331 PolarHBondContact O-N 2.95Å |
| 328 | Y | 89.5 | Confident | 83.1 | Confident | 59 Ų | 59 | 95.9 Ų | 95.9 | 23% | 0.231 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 175.9 | -178.7 | -115 | 0 | 0 | 0 | 111.4 | N259 Q324 A326 A330 S331 L332 | N259-Y328 HydrophobicContact CB-CE2 4.23Å; N259-Y328 WeakPolarHBondContact O-CD2 3.32Å; Q324-Y328 VanDerWaalsContact O-CB 3.24Å; Q324-Y328 WeakPolarHBondContact O-CB 3.45Å; Q324-Y328 PolarHBondContact O-N 3.39Å; A326-Y328 VanDerWaalsContact C-N 3.34Å; A326-Y328 PolarHBondContact O-N 3.48Å; Y328-A330 PolarHBondContact O-N 3.44Å; Y328-S331 PolarHBondContact O-N 3.46Å; Y328-S331 VanDerWaalsContact O-N 3.14Å; Y328-S331 PolarHBondContact O-OG 3.32Å; Y328-L332 HydrophobicContact CD1-CD1 4.1Å; Y328-L332 HydrophobicContact CE1-CD1 3.66Å; Y328-L332 HydrophobicContact CE1-CG 4.28Å; Y328-L332 HydrophobicContact CE2-CD2 4.32Å; Y328-L332 HydrophobicContact CE2-CG 4.35Å; Y328-L332 WeakPolarHBondContact O-CG 3.41Å; Y328-L332 PolarHBondContact O-N 3.44Å |
| 329 | R | 88.8 | Confident | 80.7 | Confident | 163 Ų | 163 | 97.7 Ų | 97.7 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.1 | -46.7 | 174.6 | -75.5 | 169.3 | 173.3 | -171.6 | -4.4 | 112.1 | L325 A326 S331 L332 V333 | L325-R329 WeakPolarHBondContact O-CB 3.49Å; L325-R329 VanDerWaalsContact O-CG 3.26Å; L325-R329 WeakPolarHBondContact O-CG 3.26Å; L325-R329 PolarHBondContact O-N 3.27Å; A326-R329 PolarHBondContact O-N 3.23Å; R329-S331 VanDerWaalsContact C-N 3.33Å; R329-S331 PolarHBondContact O-N 3.14Å; R329-L332 PolarHBondContact O-N 3.39Å; R329-V333 PolarHBondContact O-N 2.72Å |
| 330 | A | 88 | Confident | 78.6 | Confident | 63 Ų | 63 | 94.5 Ų | 94.5 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A326 A327 Y328 L332 V333 S334 | A326-A330 PolarHBondContact O-N 3.24Å; A327-A330 PolarHBondContact O-N 3.45Å; Y328-A330 PolarHBondContact O-N 3.44Å; A330-L332 VanDerWaalsContact C-N 3.34Å; A330-L332 PolarHBondContact O-N 2.99Å; A330-V333 PolarHBondContact O-N 3.29Å; A330-S334 PolarHBondContact O-N 3.1Å |
| 331 | S | 84.7 | Confident | 76.3 | Confident | 55 Ų | 55 | 97.4 Ų | 97.4 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -32.4 | 177.7 | 79 | 0 | 0 | 0 | 0 | 113.4 | A327 Y328 R329 S334 K335 | A327-S331 WeakPolarHBondContact O-CB 3.48Å; A327-S331 PolarHBondContact O-N 2.95Å; Y328-S331 PolarHBondContact O-N 3.46Å; Y328-S331 VanDerWaalsContact O-N 3.14Å; Y328-S331 PolarHBondContact O-OG 3.32Å; R329-S331 VanDerWaalsContact C-N 3.33Å; R329-S331 PolarHBondContact O-N 3.14Å; S331-S334 PolarHBondContact O-OG 2.89Å; S331-K335 WeakPolarHBondContact O-CB 3.35Å; S331-K335 PolarHBondContact O-N 3.28Å |
| 332 | L | 83.4 | Confident | 74.2 | Confident | 85 Ų | 85 | 103.1 Ų | 103.1 | 45% | 0.445 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.8 | -39.6 | 175 | -72.6 | 175.1 | 0 | 0 | 0 | 111.5 | Y328 R329 A330 K335 S336 | Y328-L332 HydrophobicContact CD1-CD1 4.1Å; Y328-L332 HydrophobicContact CE1-CD1 3.66Å; Y328-L332 HydrophobicContact CE1-CG 4.28Å; Y328-L332 HydrophobicContact CE2-CD2 4.32Å; Y328-L332 HydrophobicContact CE2-CG 4.35Å; Y328-L332 WeakPolarHBondContact O-CG 3.41Å; Y328-L332 PolarHBondContact O-N 3.44Å; R329-L332 PolarHBondContact O-N 3.39Å; A330-L332 VanDerWaalsContact C-N 3.34Å; A330-L332 PolarHBondContact O-N 2.99Å; L332-K335 PolarHBondContact O-N 3.12Å; L332-S336 WeakPolarHBondContact O-CB 3.29Å; L332-S336 PolarHBondContact O-N 2.67Å; L332-S336 PolarHBondContact O-OG 3.47Å |
| 333 | V | 77.3 | Confident | 72.2 | Confident | 102 Ų | 102 | 104 Ų | 104 | 62% | 0.618 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.5 | -48.2 | 177.7 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | R329 A330 K335 S336 Y337 | R329-V333 PolarHBondContact O-N 2.72Å; A330-V333 PolarHBondContact O-N 3.29Å; V333-K335 PolarHBondContact O-N 3.48Å; V333-S336 PolarHBondContact O-N 3.31Å; V333-S336 PolarHBondContact O-OG 2.98Å; V333-Y337 PolarHBondContact O-N 3.01Å |
| 334 | S | 75.8 | Confident | 70 | Confident | 75 Ų | 75 | 107.1 Ų | 107.1 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.9 | -33.8 | 177 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | A330 S331 S336 Y337 S338 | A330-S334 PolarHBondContact O-N 3.1Å; S331-S334 PolarHBondContact O-OG 2.89Å; S334-S336 VanDerWaalsContact C-N 3.33Å; S334-S336 PolarHBondContact O-N 3.43Å; S334-Y337 PolarHBondContact O-N 2.93Å; S334-S338 PolarHBondContact O-OG 2.57Å |
| 335 | K | 71.2 | Confident | 67.7 | Low | 157 Ų | 157 | 109.1 Ų | 109.1 | 68% | 0.683 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.2 | -39.3 | 172.2 | -162.1 | 84.8 | -178.1 | 179.5 | 0 | 111.8 | S331 L332 V333 Y337 S338 | S331-K335 WeakPolarHBondContact O-CB 3.35Å; S331-K335 PolarHBondContact O-N 3.28Å; L332-K335 PolarHBondContact O-N 3.12Å; V333-K335 PolarHBondContact O-N 3.48Å; K335-Y337 PolarHBondContact O-N 3.41Å; K335-S338 WeakPolarHBondContact CA-OG 3.31Å; K335-S338 PolarHBondContact O-N 3.49Å; K335-S338 VanDerWaalsContact O-N 3.14Å; K335-S338 PolarHBondContact O-OG 2.9Å |
| 336 | S | 61.8 | Low | 65 | Low | 95 Ų | 95 | 112.9 Ų | 112.9 | 66% | 0.664 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.9 | -13.6 | 179 | 69.5 | 0 | 0 | 0 | 0 | 114.5 | L332 V333 S334 | L332-S336 WeakPolarHBondContact O-CB 3.29Å; L332-S336 PolarHBondContact O-N 2.67Å; L332-S336 PolarHBondContact O-OG 3.47Å; V333-S336 PolarHBondContact O-N 3.31Å; V333-S336 PolarHBondContact O-OG 2.98Å; S334-S336 VanDerWaalsContact C-N 3.33Å; S334-S336 PolarHBondContact O-N 3.43Å |
| 337 | Y | 54.7 | Low | 62.8 | Low | 218 Ų | 218 | 118.3 Ų | 118.3 | 86% | 0.855 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 5.6 | 173.7 | -156.9 | -101 | 0 | 0 | 0 | 113.1 | V333 S334 K335 | V333-Y337 PolarHBondContact O-N 3.01Å; S334-Y337 PolarHBondContact O-N 2.93Å; K335-Y337 PolarHBondContact O-N 3.41Å |
| 338 | S | 47.2 | Very low | 60.3 | Low | 79 Ų | 79 | 119.9 Ų | 119.9 | 55% | 0.552 | 65% | 0.651 | S | S | * | * | | | trans | -129.1 | 25.3 | -174.8 | 44.7 | 0 | 0 | 0 | 0 | 114.5 | S334 K335 P340 | S334-S338 PolarHBondContact O-OG 2.57Å; K335-S338 WeakPolarHBondContact CA-OG 3.31Å; K335-S338 PolarHBondContact O-N 3.49Å; K335-S338 VanDerWaalsContact O-N 3.14Å; K335-S338 PolarHBondContact O-OG 2.9Å; S338-P340 WeakPolarHBondContact O-CD 3.06Å |
| 339 | E | 41.4 | Very low | 58 | Low | 163 Ų | 163 | 122.8 Ų | 122.8 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | | | trans | -78 | 112.8 | 153.8 | -84.6 | -87 | 89.9 | 0 | 0 | 108.6 | V341 | E339-V341 PolarHBondContact O-N 3.47Š|
| 340 | P | 48.7 | Very low | 55.6 | Low | 101 Ų | 101 | 123.8 Ų | 123.8 | 66% | 0.656 | 69% | 0.689 | S | S | * | * | | | trans | -66 | 131.4 | 166.4 | 29.5 | -32.6 | 0 | 0 | 0 | 108.5 | S338 D342 | S338-P340 WeakPolarHBondContact O-CD 3.06Å; P340-D342 PolarHBondContact O-N 3.11Å |
| 341 | V | 46.2 | Very low | 53.2 | Low | 131 Ų | 131 | 127.8 Ų | 127.8 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | | | trans | -70.4 | 101 | -178.4 | -168.6 | 0 | 0 | 0 | 0 | 109 | E339 V343 | E339-V341 PolarHBondContact O-N 3.47Å; V341-V343 VanDerWaalsContact C-N 3.26Å; V341-V343 HydrophobicContact CG1-CG2 4.48Å; V341-V343 PolarHBondContact O-N 3.37Å |
| 342 | D | 48.8 | Very low | 51.1 | Low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 72% | 0.719 | S | S | * | * | | | trans | -64.5 | 87.2 | 172.1 | -100.2 | -45.6 | 0 | 0 | 0 | 109.6 | P340 K344 | P340-D342 PolarHBondContact O-N 3.11Å; D342-K344 VanDerWaalsContact C-N 3.31Å; D342-K344 PolarHBondContact O-N 3.14Å |
| 343 | V | 50.8 | Low | 48.8 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 70% | 0.703 | 73% | 0.733 | S | S | * | * | | | trans | -65.5 | 94.5 | 176 | 176.5 | 0 | 0 | 0 | 0 | 108 | V341 T345 | V341-V343 VanDerWaalsContact C-N 3.26Å; V341-V343 HydrophobicContact CG1-CG2 4.48Å; V341-V343 PolarHBondContact O-N 3.37Å; V343-T345 VanDerWaalsContact C-N 3.31Å; V343-T345 PolarHBondContact O-N 3.06Å |
| 344 | K | 47 | Very low | 46.8 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | | | trans | -67.3 | 88.5 | 178.7 | -152.2 | 172.8 | -168.3 | 173.9 | 0 | 109.1 | D342 S346 | D342-K344 VanDerWaalsContact C-N 3.31Å; D342-K344 PolarHBondContact O-N 3.14Å; K344-S346 PolarHBondContact O-N 3.2Å |
| 345 | T | 43.3 | Very low | 45.1 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | | | trans | -55.6 | 103.7 | 177.4 | -65.9 | 0 | 0 | 0 | 0 | 110.2 | V343 Q347 | V343-T345 VanDerWaalsContact C-N 3.31Å; V343-T345 PolarHBondContact O-N 3.06Å; T345-Q347 PolarHBondContact O-N 2.96Å |
| 346 | S | 36.3 | Very low | 44.6 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | -66.7 | 101.1 | 172.8 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | K344 | K344-S346 PolarHBondContact O-N 3.2Š|
| 347 | Q | 42.8 | Very low | 43.4 | Very low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 124.6 | 172 | 177.8 | 179.6 | 93.1 | 0 | 0 | 110 | T345 | T345-Q347 PolarHBondContact O-N 2.96Š|
| 348 | P | 38.3 | Very low | 42.6 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 62% | 0.623 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 143.1 | 171.6 | 30.2 | -33.7 | 0 | 0 | 0 | 110.3 | Q350 | P348-Q350 PolarHBondContact O-N 3.47Š|
| 349 | P | 42 | Very low | 42.1 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 130.4 | -179.5 | 27.8 | -34 | 0 | 0 | 0 | 111.4 | | |
| 350 | Q | 37.6 | Very low | 41.8 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 131.9 | 175.8 | -74.2 | -75.4 | -26.7 | 0 | 0 | 111.2 | P348 | P348-Q350 PolarHBondContact O-N 3.47Š|
| 351 | L | 38.2 | Very low | 41.1 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -128 | 116.9 | 172.8 | -95.4 | 168 | 0 | 0 | 0 | 111.9 | | |
| 352 | I | 39.5 | Very low | 41.7 | Very low | 151 Ų | 151 | 138 Ų | 138 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | | | trans | 43.4 | 105.5 | 156.7 | 57.5 | 164.8 | 0 | 0 | 0 | 120.8 | | |
| 353 | N | 35.4 | Very low | 41.1 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | | 36.3 | 113.7 | 123.3 | 173.4 | 60.4 | 0 | 0 | 0 | 119.9 | | |
| 354 | S | 35.7 | Very low | 40.5 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | | -167.8 | 129.7 | 119.4 | -83.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 355 | K | 40.8 | Very low | 40.1 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | trans | 7.3 | 150.6 | 162.2 | -64.1 | 178.5 | 179.4 | 177.2 | 0 | 123.1 | | |
| 356 | P | 61 | Low | 40.1 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | -100 | 162.7 | -175.9 | 40.3 | -36.9 | 0 | 0 | 0 | 116.5 | | |
| 357 | S | 35.2 | Very low | 40 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -155 | 118.1 | 155.4 | -167.8 | 0 | 0 | 0 | 0 | 107 | | |
| 358 | V | 38 | Very low | 39.9 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | | | | 64.3 | 101.1 | 66.7 | -180 | 0 | 0 | 0 | 0 | 112.8 | | |
| 359 | F | 36.9 | Very low | 39.9 | Very low | 182 Ų | 182 | 136 Ų | 136 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | | | | -167.2 | -178.1 | 98.7 | -158.7 | -109 | 0 | 0 | 0 | 112.4 | | |
| 360 | H | 36.3 | Very low | 39.9 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -108.3 | 165.9 | -168.1 | -45.9 | 87.3 | 0 | 0 | 0 | 113.9 | | |
| 361 | G | 33.4 | Very low | 40 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | 171.2 | 107.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 362 | P | 59.2 | Low | 39.6 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | trans | -123.5 | 146.7 | -177.5 | 39.2 | -27.6 | 0 | 0 | 0 | 116.4 | | |
| 363 | S | 35.1 | Very low | 39.3 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | -173.1 | 140.7 | 149.3 | -80.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 364 | Q | 39.2 | Very low | 39.2 | Very low | 192 Ų | 192 | 134.2 Ų | 134.2 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | | | | 68.3 | 126.6 | 53.7 | -147.5 | -160.5 | 105.1 | 0 | 0 | 111 | | |
| 365 | A | 37.9 | Very low | 39.2 | Very low | 66 Ų | 66 | 140.2 Ų | 140.2 | 55% | 0.545 | 78% | 0.778 | S | S | . | * | | | cis | -131.7 | -173.3 | 6.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 366 | H | 42.6 | Very low | 39.1 | Very low | 196 Ų | 196 | 140 Ų | 140 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | | | cis | -142.4 | 168.6 | 17.2 | -73.1 | -92.4 | 0 | 0 | 0 | 112.1 | | |
| 367 | S | 35.8 | Very low | 37.8 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -114.7 | 133.1 | -179.3 | 43.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 368 | A | 39.9 | Very low | 37.6 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | | | trans | -137.8 | 117.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 369 | L | 37.3 | Very low | 38.2 | Very low | 155 Ų | 155 | 142 Ų | 142 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | | 58.2 | 112.7 | 76.3 | -59.5 | 179.9 | 0 | 0 | 0 | 110 | | |
| 370 | Y | 42.5 | Very low | 37.8 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | cis | -151.2 | 154.1 | 36.1 | -142.2 | -128.5 | 0 | 0 | 0 | 113.2 | | |
| 371 | L | 40.9 | Very low | 37.8 | Very low | 132 Ų | 132 | 138 Ų | 138 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | trans | 39.5 | 119.1 | 160.6 | -91.9 | 52 | 0 | 0 | 0 | 119.4 | | |
| 372 | S | 28.7 | Very low | 37.8 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | cis | 56.9 | 137.5 | 34.5 | -56.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 373 | S | 32.9 | Very low | 37.5 | Very low | 95 Ų | 95 | 141 Ų | 141 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | cis | -137.4 | 176.8 | 21.2 | -107.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 374 | H | 33.4 | Very low | 37.3 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | | | cis | -149.9 | 135.9 | 42.2 | -47.6 | -90.6 | 0 | 0 | 0 | 114.7 | | |
| 375 | Y | 36 | Very low | 36.9 | Very low | 234 Ų | 234 | 140.2 Ų | 140.2 | 92% | 0.918 | 76% | 0.756 | S | S | * | * | | | trans | -179.2 | 122.9 | 135.9 | -104.7 | -67.3 | 0 | 0 | 0 | 109.1 | | |
| 376 | H | 38.9 | Very low | 36.7 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 88% | 0.884 | 77% | 0.768 | S | S | * | * | | | trans | -156.3 | 169.4 | 166.2 | -144.1 | 62.3 | 0 | 0 | 0 | 114.1 | | |
| 377 | Q | 33.1 | Very low | 36.2 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 65% | 0.654 | 76% | 0.757 | S | S | * | * | | | trans | -155.6 | 165.2 | -163 | -165.6 | -163.4 | 105.4 | 0 | 0 | 109.8 | | |
| 378 | Q | 32.3 | Very low | 36.1 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | trans | 73.7 | 167.2 | 165.8 | -60.2 | -58.7 | -16.6 | 0 | 0 | 118.4 | | |
| 379 | P | 50.6 | Low | 36.2 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | | | cis | -135.2 | 165.6 | -25.1 | 24.6 | -3.5 | 0 | 0 | 0 | 116.2 | | |
| 380 | G | 28.7 | Very low | 36.6 | Very low | 68 Ų | 68 | 142.4 Ų | 142.4 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | 84.4 | 155.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 381 | M | 35 | Very low | 36 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | | | cis | -134.1 | 177.7 | 13.3 | -51 | -61.4 | 157 | 0 | 0 | 111.9 | | |
| 382 | N | 34.1 | Very low | 35.6 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | trans | -110.6 | 157.8 | 176.6 | -130.2 | -69.3 | 0 | 0 | 0 | 110 | | |
| 383 | P | 53.3 | Low | 36.7 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | | | | -153 | 168.4 | 76.7 | 42.2 | -23.6 | 0 | 0 | 0 | 118.6 | | |
| 384 | H | 29.7 | Very low | 36.8 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | 97.2 | 108.1 | 137.9 | -146.9 | 71.8 | 0 | 0 | 0 | 121.2 | | |
| 385 | L | 30.7 | Very low | 36.7 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 71% | 0.707 | 76% | 0.759 | S | S | * | * | | | trans | 56 | 146 | 158.6 | -54.8 | -177.7 | 0 | 0 | 0 | 117.5 | | |
| 386 | T | 33.9 | Very low | 36.7 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | | | cis | -156.8 | 169.4 | 6.4 | -6.1 | 0 | 0 | 0 | 0 | 106.8 | | |
| 387 | A | 33.2 | Very low | 36.4 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | | | cis | -142.5 | -132.1 | 3.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 388 | M | 32.8 | Very low | 37.2 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 93% | 0.926 | 75% | 0.753 | S | S | * | * | | | trans | -141.6 | 158 | -179.8 | -77.3 | -67 | 163 | 0 | 0 | 113.2 | | |
| 389 | H | 41.7 | Very low | 37.5 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | -115.7 | 135 | -176.9 | 169 | -77.6 | 0 | 0 | 0 | 112.2 | | |
| 390 | P | 46.6 | Very low | 37.2 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | | | trans | -136.3 | 168.1 | 153.2 | 32.2 | -15.3 | 0 | 0 | 0 | 113.5 | | |
| 391 | S | 29.2 | Very low | 37.3 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | cis | 165.7 | 93.6 | -43.4 | 54.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 392 | L | 33.9 | Very low | 37.1 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 90% | 0.895 | 75% | 0.754 | S | S | * | * | | | trans | 62.7 | -160.3 | 153.6 | -55 | 173.2 | 0 | 0 | 0 | 116.4 | | |
| 393 | P | 51.9 | Low | 37 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | | | | -141.4 | 178.2 | -99.2 | 45.9 | -28.2 | 0 | 0 | 0 | 118.6 | | |
| 394 | R | 33.6 | Very low | 36.4 | Very low | 221 Ų | 221 | 139.7 Ų | 139.7 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | | | trans | 85 | 119.9 | 138.2 | -156.9 | -155.2 | 163.6 | 105.2 | -4 | 121.5 | | |
| 395 | N | 31.9 | Very low | 37.4 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | | | trans | 102.1 | 160.6 | 137.7 | -119.4 | -85.4 | 0 | 0 | 0 | 124.2 | | |
| 396 | I | 35.7 | Very low | 38 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | 81.2 | 145.3 | 165.4 | -64.1 | 156.1 | 0 | 0 | 0 | 118.2 | | |
| 397 | A | 33.5 | Very low | 38.5 | Very low | 84 Ų | 84 | 138.2 Ų | 138.2 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | | | trans | -125.9 | 175.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 398 | P | 48.2 | Very low | 39 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | | -148.6 | -175.9 | 97.3 | 38.4 | -20.9 | 0 | 0 | 0 | 115.5 | | |
| 399 | K | 38.7 | Very low | 39.1 | Very low | 197 Ų | 197 | 136 Ų | 136 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | | | trans | -99.4 | 149.9 | 169.3 | -64.1 | 177.2 | 177.9 | 177.9 | 0 | 110.7 | | |
| 400 | P | 44.2 | Very low | 38.9 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | | -136.4 | -177.6 | 99.4 | 10.6 | 12.9 | 0 | 0 | 0 | 111.2 | | |
| 401 | N | 31.1 | Very low | 38.5 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | | | cis | 157.9 | 146.8 | -19.4 | 178.1 | 40.4 | 0 | 0 | 0 | 105.3 | | |
| 402 | N | 30.9 | Very low | 39 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 63% | 0.631 | 77% | 0.769 | S | S | * | * | | | trans | 61.2 | 166 | 171.2 | -74.5 | -8.2 | 0 | 0 | 0 | 117.4 | | |
| 403 | Q | 32.2 | Very low | 39.4 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | cis | -157.9 | 163.2 | -38.1 | -113 | 176.3 | 59.1 | 0 | 0 | 107.9 | | |
| 404 | M | 41.3 | Very low | 38.7 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | -71.5 | 148.4 | 166 | -68.7 | -76.4 | -70 | 0 | 0 | 110.6 | | |
| 405 | P | 49.4 | Very low | 38.8 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | | -136.8 | 168.2 | 128.4 | 37.7 | -27.4 | 0 | 0 | 0 | 113.9 | | |
| 406 | V | 45 | Very low | 39.2 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | -105 | 146.3 | -179.8 | -164.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 407 | T | 43 | Very low | 40.4 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -151 | 155.2 | 168.7 | 166.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 408 | V | 43.8 | Very low | 41.7 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 65% | 0.648 | 78% | 0.779 | S | S | * | * | | | trans | -139.4 | 134.6 | -159.4 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | I410 | V408-I410 HydrophobicContact CG1-CD1 4.36Å; V408-I410 HydrophobicContact CG1-CG1 4.29Å |
| 409 | S | 36 | Very low | 42.2 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -168.2 | 125.5 | 152.6 | -77.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 410 | I | 37.5 | Very low | 42.7 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | | | cis | 104.7 | 136.6 | 36.4 | -74.3 | 170 | 0 | 0 | 0 | 111.6 | V408 | V408-I410 HydrophobicContact CG1-CD1 4.36Å; V408-I410 HydrophobicContact CG1-CG1 4.29Å |
| 411 | A | 38.3 | Very low | 42.6 | Very low | 85 Ų | 85 | 131.2 Ų | 131.2 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | | | trans | 80.7 | 150.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 412 | N | 38.8 | Very low | 43.2 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | | | | -178.4 | 101.3 | -51 | -109.1 | 34.3 | 0 | 0 | 0 | 109.3 | | |
| 413 | M | 42 | Very low | 43.7 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 96% | 0.956 | 79% | 0.791 | S | S | * | * | | | trans | 179 | 152.7 | 161.4 | 49.5 | 178.8 | -178.3 | 0 | 0 | 110.8 | | |
| 414 | A | 37.1 | Very low | 44.3 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | | | cis | -162.8 | 143.4 | -29.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 415 | V | 37.2 | Very low | 45 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | trans | 46.9 | 102.5 | 155 | -175.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 416 | S | 40 | Very low | 45.2 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | | 169.1 | 117.9 | 122.2 | -75.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 417 | P | 60.2 | Low | 45 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 147.7 | 172.5 | 35.5 | -32 | 0 | 0 | 0 | 113.3 | | |
| 418 | P | 61.1 | Low | 45.2 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 156.2 | 170.5 | 33.2 | -34.8 | 0 | 0 | 0 | 112.5 | | |
| 419 | P | 57.5 | Low | 44.9 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 148.4 | -176.1 | 32.5 | -35.8 | 0 | 0 | 0 | 113.6 | | |
| 420 | P | 49.7 | Very low | 45.1 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 132.1 | 171.9 | 32.8 | -32.6 | 0 | 0 | 0 | 111.7 | Q422 | P420-Q422 PolarHBondContact O-N 3.47Š|
| 421 | L | 43.5 | Very low | 45.4 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | | | trans | -86 | 102.4 | 170.1 | -71.3 | 177.9 | 0 | 0 | 0 | 110.8 | | |
| 422 | Q | 43.4 | Very low | 45.2 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -72.2 | 152.6 | 155.1 | -80.4 | -78.1 | 9.3 | 0 | 0 | 110.3 | P420 | P420-Q422 PolarHBondContact O-N 3.47Š|
| 423 | I | 40.9 | Very low | 45.2 | Very low | 161 Ų | 161 | 139 Ų | 139 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | 160.6 | 116.6 | 136.3 | -83.5 | 155.3 | 0 | 0 | 0 | 108.9 | | |
| 424 | S | 45.6 | Very low | 45 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 151.2 | 168 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 425 | P | 55.4 | Low | 44.9 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 139.1 | 170 | 29.5 | -33.9 | 0 | 0 | 0 | 110.9 | | |
| 426 | P | 54.2 | Low | 44.8 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -85 | 141.9 | -174.1 | 32.4 | -35 | 0 | 0 | 0 | 113.7 | | |
| 427 | L | 39.5 | Very low | 44.5 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 135.6 | 165.7 | -120.7 | 168.5 | 0 | 0 | 0 | 109.9 | Q429 | L427-Q429 HydrophobicContact CD2-CG 4.44Š|
| 428 | H | 46.9 | Very low | 44.2 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | | | trans | -116 | 114.1 | 164.3 | -91.9 | 88.8 | 0 | 0 | 0 | 110 | | |
| 429 | Q | 38.4 | Very low | 42.9 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | trans | -104.9 | 133.2 | 167.9 | -80 | -87.7 | 92.1 | 0 | 0 | 108.3 | L427 | L427-Q429 HydrophobicContact CD2-CG 4.44Š|
| 430 | H | 39.1 | Very low | 41.8 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | | | trans | -136.5 | 115.7 | 161 | -176.1 | -152.8 | 0 | 0 | 0 | 108.6 | | |
| 431 | L | 44.9 | Very low | 41.2 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | trans | -92 | 134.4 | 171.2 | -75.4 | 115.7 | 0 | 0 | 0 | 109.7 | | |
| 432 | N | 34.2 | Very low | 41 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | | | trans | -147 | 164.1 | 142.7 | -152.2 | -8.7 | 0 | 0 | 0 | 110.4 | | |
| 433 | M | 37.8 | Very low | 40.8 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 61% | 0.606 | 76% | 0.755 | S | S | * | * | | | trans | -135 | 122.7 | -154.5 | 179.7 | -135.6 | 70.2 | 0 | 0 | 113.7 | | |
| 434 | Q | 37.4 | Very low | 41.4 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | | | trans | -160 | 125.7 | 148.8 | -116.3 | 103.5 | 54.8 | 0 | 0 | 106 | | |
| 435 | Q | 35.9 | Very low | 40.8 | Very low | 130 Ų | 130 | 147 Ų | 147 | 61% | 0.607 | 76% | 0.755 | S | S | * | * | | | cis | 87.9 | 126.5 | 40.9 | -160.8 | -167.5 | 20.6 | 0 | 0 | 113.1 | | |
| 436 | H | 34.8 | Very low | 39.8 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | | | trans | 100.6 | 133.1 | 171.1 | -53.3 | 109 | 0 | 0 | 0 | 119.8 | | |
| 437 | Q | 33.3 | Very low | 39 | Very low | 181 Ų | 181 | 146 Ų | 146 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | | | trans | -127.9 | 179.3 | 161.3 | -101.9 | -154.3 | 59.5 | 0 | 0 | 105.2 | | |
| 438 | P | 54.6 | Low | 38.8 | Very low | 91 Ų | 91 | 146.8 Ų | 146.8 | 59% | 0.591 | 75% | 0.752 | S | S | * | * | | | cis | -135.3 | -162.4 | -12.7 | 30.6 | -6.4 | 0 | 0 | 0 | 113.3 | | |
| 439 | L | 34.6 | Very low | 38.4 | Very low | 152 Ų | 152 | 146 Ų | 146 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | | | trans | 71.7 | 158.5 | 159.9 | -59.7 | 160.6 | 0 | 0 | 0 | 116.9 | | |
| 440 | T | 34.1 | Very low | 39.5 | Very low | 110 Ų | 110 | 144 Ų | 144 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | | | cis | -157.1 | 153.7 | 2.3 | -4.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 441 | M | 35.6 | Very low | 39.3 | Very low | 173 Ų | 173 | 143 Ų | 143 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | | | trans | 62.6 | 159.8 | 154.7 | -70.9 | -66.8 | 173.7 | 0 | 0 | 118.6 | | |
| 442 | Q | 41.1 | Very low | 38.9 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | | | cis | -145.4 | 159.5 | 8.9 | -149 | -172.1 | 125.2 | 0 | 0 | 112.1 | | |
| 443 | Q | 39.3 | Very low | 38.9 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | -83.6 | -167.7 | 157 | -118.6 | -166.1 | 31.1 | 0 | 0 | 109.5 | | |
| 444 | P | 53 | Low | 39 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | | | cis | -124.4 | -155.1 | 6.9 | 37.8 | -15 | 0 | 0 | 0 | 111.3 | | |
| 445 | L | 33.5 | Very low | 38.7 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | | | cis | -159.6 | 160.2 | 6.6 | -167.9 | 64.4 | 0 | 0 | 0 | 109.5 | | |
| 446 | G | 34 | Very low | 38.7 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | | | trans | 118.9 | 112.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 447 | N | 37.9 | Very low | 38.5 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -86.5 | 163.7 | 170.5 | -59.9 | -3.9 | 0 | 0 | 0 | 111.2 | | |
| 448 | Q | 35 | Very low | 38.7 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | | 157.4 | 143.8 | 119.4 | -79.2 | -59.2 | 90 | 0 | 0 | 111.6 | | |
| 449 | L | 37.2 | Very low | 37.7 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | -117.7 | 177.4 | 167.9 | -73.1 | 160.3 | 0 | 0 | 0 | 107.9 | | |
| 450 | P | 61.3 | Low | 39.4 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | | -123.7 | 179.1 | -66 | 38.2 | -24 | 0 | 0 | 0 | 110.9 | | |
| 451 | M | 36.1 | Very low | 39.4 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | | | trans | 177 | 132.6 | 146.8 | -98.9 | -68.8 | -107.8 | 0 | 0 | 115 | | |
| 452 | Q | 36.4 | Very low | 39.5 | Very low | 154 Ų | 154 | 138 Ų | 138 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | 37.8 | 136.9 | 137.3 | -82.8 | -170.2 | -18.1 | 0 | 0 | 127 | | |
| 453 | V | 34.6 | Very low | 39.7 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | | | | 90.4 | 96.1 | 129.1 | 171.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 454 | Q | 38.3 | Very low | 39.5 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | | | | 66.2 | 127.7 | 112.4 | -157.4 | 172.5 | 38.1 | 0 | 0 | 124.3 | | |
| 455 | S | 32.6 | Very low | 38.7 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | 169.3 | 162 | 143.3 | 38.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 456 | A | 34.6 | Very low | 38.7 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | cis | -166.4 | 149.3 | -32.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 457 | L | 31.3 | Very low | 38.6 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | | 166.6 | 147.7 | 124.8 | -91.1 | 162.1 | 0 | 0 | 0 | 113.3 | | |
| 458 | H | 38.5 | Very low | 38.5 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 83% | 0.833 | 76% | 0.763 | S | S | * | * | | | trans | -109.3 | -169.7 | 175.6 | -57.8 | 119.1 | 0 | 0 | 0 | 109.8 | | |
| 459 | S | 33.6 | Very low | 38.3 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | cis | -179 | -167.4 | 30.8 | -137.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 460 | P | 69.9 | Low | 39.6 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | | | cis | -118.9 | -175.1 | -23.4 | 31.3 | -9.4 | 0 | 0 | 0 | 110.6 | | |
| 461 | T | 33.4 | Very low | 38 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | cis | -158 | 170.1 | 33 | 45.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 462 | M | 39 | Very low | 37.8 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | cis | -160.9 | -167.8 | -0 | -124.3 | -170.3 | -169.5 | 0 | 0 | 112.7 | | |
| 463 | Q | 44 | Very low | 37.5 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 64% | 0.64 | 76% | 0.763 | S | S | * | * | | | trans | -29.6 | 152.4 | 165.2 | -53.4 | -177.5 | 96.7 | 0 | 0 | 118.4 | | |
| 464 | Q | 35.5 | Very low | 37.2 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | | | cis | -173.4 | 170.1 | -5.4 | -105.8 | 159 | 9.1 | 0 | 0 | 108.4 | | |
| 465 | G | 36 | Very low | 37 | Very low | 55 Ų | 55 | 139.5 Ų | 139.5 | 57% | 0.567 | 76% | 0.757 | S | S | * | * | | | cis | 158.5 | 92.6 | -13.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 466 | F | 33.9 | Very low | 37 | Very low | 200 Ų | 200 | 140.6 Ų | 140.6 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | | | trans | 72.5 | 160.3 | 149.6 | -56.7 | -64 | 0 | 0 | 0 | 120.5 | | |
| 467 | T | 32.5 | Very low | 36.7 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | cis | -158.6 | 139.3 | 0.4 | -0.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 468 | L | 35.3 | Very low | 37.4 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 90% | 0.895 | 75% | 0.747 | S | S | * | * | | | trans | 44.2 | 152.5 | 135.9 | -64.7 | 175.6 | 0 | 0 | 0 | 127.8 | | |
| 469 | Q | 31.2 | Very low | 37.1 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | trans | -77.9 | -172.2 | 167.2 | -86.5 | -126.9 | 61.8 | 0 | 0 | 114.3 | | |
| 470 | P | 63.5 | Low | 37 | Very low | 106 Ų | 106 | 138 Ų | 138 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | | | cis | -136.5 | -167.3 | -4.1 | 32.6 | -8.7 | 0 | 0 | 0 | 116.5 | | |
| 471 | D | 28.1 | Very low | 35.3 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | trans | 117.3 | 169.4 | 137.2 | -135.5 | -92.6 | 0 | 0 | 0 | 120.8 | | |
| 472 | Y | 30.7 | Very low | 35.3 | Very low | 204 Ų | 204 | 137.1 Ų | 137.1 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | | | trans | -103.9 | 150.1 | -155.8 | -67.1 | -108.3 | 0 | 0 | 0 | 115.3 | | |
| 473 | Q | 30.1 | Very low | 35 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | | -177 | 168.5 | 119.7 | -111.5 | -123.9 | 84.9 | 0 | 0 | 117.1 | | |
| 474 | T | 30.3 | Very low | 34.5 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | | | trans | -78.9 | 157.1 | 176.8 | -43.8 | 0 | 0 | 0 | 0 | 113 | | |
| 475 | I | 33.6 | Very low | 34.4 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | | | trans | 157 | 110.6 | 131.7 | -81.1 | 164.2 | 0 | 0 | 0 | 116.3 | | |
| 476 | I | 32 | Very low | 34.5 | Very low | 139 Ų | 139 | 137 Ų | 137 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | 54.6 | 113.1 | 131.8 | -47.6 | 173 | 0 | 0 | 0 | 123.4 | | |
| 477 | N | 27.4 | Very low | 34.6 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | | | trans | 65.4 | 173.5 | 145 | -85.1 | -7.6 | 0 | 0 | 0 | 121.9 | | |
| 478 | P | 47.8 | Very low | 34.6 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | | | cis | -132.6 | 156.5 | -3 | 21.6 | 2.9 | 0 | 0 | 0 | 119.2 | | |
| 479 | T | 30.8 | Very low | 34.5 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | | | trans | 34.7 | 118.2 | 133.4 | -48.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 480 | S | 32 | Very low | 34.8 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | | -171.5 | 158.4 | 124.2 | -81.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 481 | T | 34.6 | Very low | 33.3 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | cis | 164.4 | 148.3 | -27.9 | -86.6 | 0 | 0 | 0 | 0 | 106 | | |
| 482 | A | 33 | Very low | 33.6 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | trans | 75.1 | 117.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 483 | A | 32.6 | Very low | 34.1 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | cis | 93.8 | 142.1 | 13.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 484 | Q | 34.1 | Very low | 34.3 | Very low | 186 Ų | 186 | 139.6 Ų | 139.6 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | trans | 80.6 | 146.3 | 174 | -56 | -153.1 | -0.9 | 0 | 0 | 117.2 | | |
| 485 | V | 33.5 | Very low | 34.7 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | | | cis | -154.6 | 164.5 | -9.8 | 118.3 | 0 | 0 | 0 | 0 | 113 | | |
| 486 | V | 37.9 | Very low | 34.8 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | | | trans | -43.5 | 141.1 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 487 | T | 35.4 | Very low | 35 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -173.9 | 124.3 | 133.3 | 18.1 | 0 | 0 | 0 | 0 | 107 | | |
| 488 | Q | 33.1 | Very low | 35.5 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | cis | 95.8 | 123.5 | 44.2 | -173.7 | 172.9 | 100.6 | 0 | 0 | 113.6 | | |
| 489 | A | 32.9 | Very low | 35.1 | Very low | 89 Ų | 89 | 143 Ų | 143 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | | | trans | 69.3 | 155.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 490 | M | 36.7 | Very low | 36.2 | Very low | 189 Ų | 189 | 143 Ų | 143 | 93% | 0.931 | 80% | 0.801 | S | S | * | * | | | cis | -128.9 | 150.2 | 12.2 | -61.7 | 169.2 | -167.4 | 0 | 0 | 112.5 | | |
| 491 | E | 32.8 | Very low | 36.9 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | | | trans | -96.1 | 135.3 | 176.2 | 180 | -171.4 | 145.8 | 0 | 0 | 110.5 | V493 | E491-V493 HydrophobicContact CG-CG2 4.18Š|
| 492 | Y | 34.3 | Very low | 37.2 | Very low | 239 Ų | 239 | 142.9 Ų | 142.9 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | | | trans | -147.5 | 129.7 | 156.2 | -114 | -79.3 | 0 | 0 | 0 | 111.1 | | |
| 493 | V | 40.9 | Very low | 37.6 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 61% | 0.612 | 80% | 0.799 | S | S | * | * | | | trans | -100.5 | 136.2 | -164.8 | 174.4 | 0 | 0 | 0 | 0 | 112.5 | E491 | E491-V493 HydrophobicContact CG-CG2 4.18Š|
| 494 | R | 35.2 | Very low | 37.8 | Very low | 243 Ų | 243 | 146.8 Ų | 146.8 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | | | trans | -155.3 | 89.3 | 146.6 | -119 | 173.9 | -171.1 | -127.5 | -1.8 | 115.1 | | |
| 495 | S | 38.6 | Very low | 38.1 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | 15.5 | 126.4 | 137.6 | 59.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 496 | G | 35.3 | Very low | 38.2 | Very low | 74 Ų | 74 | 144.9 Ų | 144.9 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | | | trans | 159.6 | 97.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 497 | C | 36.7 | Very low | 38.4 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | | | trans | 29.8 | 124.4 | 154.2 | -60.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 498 | R | 38.1 | Very low | 38.4 | Very low | 243 Ų | 243 | 150.5 Ų | 150.5 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 133.3 | 175.1 | 176.2 | 178.2 | 176.6 | 177.5 | -0.3 | 112.2 | | |
| 499 | N | 39.2 | Very low | 38.9 | Very low | 151 Ų | 151 | 149.3 Ų | 149.3 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 143.8 | 172.5 | -81.8 | -36.4 | 0 | 0 | 0 | 112.2 | | |
| 500 | P | 54.1 | Low | 39.2 | Very low | 111 Ų | 111 | 151.3 Ų | 151.3 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 154.6 | 166.2 | 33.9 | -33.8 | 0 | 0 | 0 | 112.1 | | |
| 501 | P | 45.2 | Very low | 39.1 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 160.8 | 178.2 | 32.4 | -35.9 | 0 | 0 | 0 | 113.1 | | |
| 502 | P | 41 | Very low | 39.1 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 138.7 | -179.2 | 29.5 | -35.3 | 0 | 0 | 0 | 112.9 | | |
| 503 | Q | 42.1 | Very low | 39 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -94 | 147.8 | 171.8 | -72.2 | -73.4 | -24.6 | 0 | 0 | 111 | | |
| 504 | P | 37 | Very low | 38.7 | Very low | 105 Ų | 105 | 147 Ų | 147 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 143.5 | 168.9 | 30.6 | -34.1 | 0 | 0 | 0 | 110.7 | D506 | P504-D506 PolarHBondContact O-N 3.29Š|
| 505 | V | 41 | Very low | 38.6 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | | | trans | -99.2 | 85.3 | -175.6 | -77.3 | 0 | 0 | 0 | 0 | 112.5 | W507 | V505-W507 PolarHBondContact O-N 3.03Å; V505-W507 VanDerWaalsContact O-N 3.11Å |
| 506 | D | 34.8 | Very low | 38.3 | Very low | 151 Ų | 151 | 138 Ų | 138 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | | | trans | -67.2 | 99.2 | 162.6 | -91.9 | -68.5 | 0 | 0 | 0 | 110.5 | P504 N508 | P504-D506 PolarHBondContact O-N 3.29Å; D506-N508 PolarHBondContact O-N 2.84Å |
| 507 | W | 42.6 | Very low | 38.7 | Very low | 231 Ų | 231 | 142.6 Ų | 142.6 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | trans | -80.1 | 87.1 | 176.2 | -83.5 | 89 | 0 | 0 | 0 | 111.2 | V505 | V505-W507 PolarHBondContact O-N 3.03Å; V505-W507 VanDerWaalsContact O-N 3.11Å |
| 508 | N | 34.6 | Very low | 38.6 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | | | trans | -67.3 | 156.4 | 178.7 | -132.2 | -32.5 | 0 | 0 | 0 | 112.8 | D506 D510 | D506-N508 PolarHBondContact O-N 2.84Å; N508-D510 VanDerWaalsContact C-N 3.33Å; N508-D510 PolarHBondContact O-N 2.76Å; N508-D510 VanDerWaalsContact O-N 3.14Å |
| 509 | N | 43.4 | Very low | 38.9 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -91.9 | 31.4 | -154.8 | -172.3 | 38.2 | 0 | 0 | 0 | 114.9 | | |
| 510 | D | 40.7 | Very low | 38.9 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | | | trans | -131.3 | 70.5 | -159.4 | -71.4 | -79.1 | 0 | 0 | 0 | 114.1 | N508 | N508-D510 VanDerWaalsContact C-N 3.33Å; N508-D510 PolarHBondContact O-N 2.76Å; N508-D510 VanDerWaalsContact O-N 3.14Å |
| 511 | Y | 34.6 | Very low | 38.3 | Very low | 230 Ų | 230 | 146.2 Ų | 146.2 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | trans | -153 | 78.1 | 164.7 | -128.9 | -80.5 | 0 | 0 | 0 | 114.7 | | |
| 512 | C | 32.2 | Very low | 38.1 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 91% | 0.905 | 80% | 0.801 | S | S | * | * | | | trans | -168.3 | 59.3 | 159.5 | -105.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 513 | S | 31.8 | Very low | 38.3 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -126.3 | 121.9 | 165.5 | -84.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 514 | S | 35.2 | Very low | 38.4 | Very low | 120 Ų | 120 | 149.5 Ų | 149.5 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | | | trans | 44.8 | 89.5 | 156.6 | -57 | 0 | 0 | 0 | 0 | 118.7 | G516 | S514-G516 PolarHBondContact O-N 2.92Š|
| 515 | G | 32 | Very low | 38.5 | Very low | 86 Ų | 86 | 152.9 Ų | 152.9 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | | | trans | -68.9 | 108.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 516 | G | 33.4 | Very low | 38.7 | Very low | 74 Ų | 74 | 156.3 Ų | 156.3 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | | | trans | -72.2 | 127.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S514 Q518 | S514-G516 PolarHBondContact O-N 2.92Å; G516-Q518 PolarHBondContact O-N 3.19Å |
| 517 | M | 42.1 | Very low | 38.9 | Very low | 170 Ų | 170 | 156.6 Ų | 156.6 | 84% | 0.837 | 84% | 0.841 | S | S | * | * | | | trans | -72.6 | 93 | 176.4 | -80.7 | -172.7 | 156.8 | 0 | 0 | 111.7 | R519 | M517-R519 PolarHBondContact O-N 3.22Š|
| 518 | Q | 36.2 | Very low | 38.7 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 89% | 0.893 | 84% | 0.839 | S | S | * | * | | | trans | -80.9 | 102.2 | 163.6 | -165.3 | 164.7 | 28.7 | 0 | 0 | 110.1 | G516 | G516-Q518 PolarHBondContact O-N 3.19Š|
| 519 | R | 43.2 | Very low | 38.9 | Very low | 199 Ų | 199 | 153.4 Ų | 153.4 | 75% | 0.751 | 85% | 0.845 | S | S | * | * | | | trans | -70.1 | 130.2 | 155.5 | -65 | 175.4 | 173.9 | 82 | -1.2 | 107 | M517 | M517-R519 PolarHBondContact O-N 3.22Š|
| 520 | D | 39.7 | Very low | 38.7 | Very low | 135 Ų | 135 | 153.6 Ų | 153.6 | 72% | 0.722 | 85% | 0.847 | S | S | * | * | | | | -178.8 | 126.7 | 116.6 | -127.5 | -88.4 | 0 | 0 | 0 | 113.6 | | |
| 521 | K | 40.6 | Very low | 38.5 | Very low | 192 Ų | 192 | 155.1 Ų | 155.1 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | | | trans | 154.1 | 120.1 | 133.6 | -82.9 | 157.3 | -157.9 | -52.4 | 0 | 110.9 | | |
| 522 | A | 42.6 | Very low | 38.8 | Very low | 91 Ų | 91 | 150.1 Ų | 150.1 | 75% | 0.752 | 85% | 0.853 | S | S | * | * | | | trans | -83.5 | 137 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 523 | L | 43.7 | Very low | 39.3 | Very low | 178 Ų | 178 | 151.2 Ų | 151.2 | 93% | 0.932 | 85% | 0.849 | S | S | * | * | | | trans | -84.6 | 113.9 | 156.8 | -88.8 | 164.9 | 0 | 0 | 0 | 107.8 | | |
| 524 | Y | 45.1 | Very low | 39.8 | Very low | 198 Ų | 198 | 153.8 Ų | 153.8 | 78% | 0.776 | 85% | 0.851 | S | S | * | * | | | trans | -78.2 | 143.9 | 169 | -120.8 | -100.1 | 0 | 0 | 0 | 109.7 | | |
| 525 | L | 39.5 | Very low | 40.2 | Very low | 176 Ų | 176 | 156.6 Ų | 156.6 | 92% | 0.921 | 85% | 0.852 | S | S | * | * | | | trans | -137.5 | 70.3 | 177.5 | -162.6 | 86.4 | 0 | 0 | 0 | 111.1 | | |
| 526 | T | 44.8 | Very low | 41 | Very low | 189 Ų | 189 | 163 Ų | 163 | 100% | 1.16 | 85% | 0.849 | S | S | * | * | | | trans | -172.2 | 0 | 151 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | | |