| 1 | M | 48.3 | Very low | 55.9 | Low | 248 Ų | 248 | 160.9 Ų | 160.9 | 100% | 1.222 | 83% | 0.828 | S | S | * | * | | | | 0 | 114.6 | 0 | -108.6 | 134.7 | 163.1 | 0 | 0 | 107.2 | | |
| 2 | A | 50.1 | Low | 55.8 | Low | 104 Ų | 104 | 161.7 Ų | 161.7 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | | | trans | 50.6 | 104.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 3 | D | 56.3 | Low | 55.6 | Low | 149 Ų | 149 | 161.1 Ų | 161.1 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | | | trans | -76.5 | 175.3 | 139.5 | -119.9 | -32.2 | 0 | 0 | 0 | 109 | | |
| 4 | P | 59.5 | Low | 55 | Low | 110 Ų | 110 | 162.7 Ų | 162.7 | 71% | 0.714 | 83% | 0.827 | S | S | * | * | | | cis | -152.3 | 160.7 | 37.7 | 39.1 | -15.6 | 0 | 0 | 0 | 120.2 | | |
| 5 | R | 48.5 | Very low | 54.4 | Low | 199 Ų | 199 | 159.1 Ų | 159.1 | 75% | 0.751 | 83% | 0.831 | S | S | * | * | | | trans | 36.8 | 128.6 | 133.9 | -63.7 | -179.2 | 143.9 | -168.2 | -15.8 | 122.7 | E7 | R5-E7 IonicContact CZ-OE1 3.83Å; R5-E7 IonicContact NH2-OE1 3.95Å |
| 6 | Q | 58.7 | Low | 54.1 | Low | 171 Ų | 171 | 153.4 Ų | 153.4 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | | | trans | -141.8 | 122.4 | 139.3 | -110.7 | 171.7 | 28 | 0 | 0 | 110 | | |
| 7 | E | 55.3 | Low | 53.8 | Low | 146 Ų | 146 | 153.2 Ų | 153.2 | 68% | 0.682 | 82% | 0.822 | S | S | * | * | | | trans | -86.8 | 139.2 | 176.6 | -67.8 | 172.2 | 168.9 | 0 | 0 | 109.4 | R5 | R5-E7 IonicContact CZ-OE1 3.83Å; R5-E7 IonicContact NH2-OE1 3.95Å |
| 8 | F | 59.9 | Low | 53.3 | Low | 176 Ų | 176 | 156.9 Ų | 156.9 | 77% | 0.772 | 83% | 0.825 | S | S | * | * | | | trans | -116.7 | 107.4 | 169.6 | -68 | -90.3 | 0 | 0 | 0 | 108.3 | | |
| 9 | D | 54.4 | Low | 53.1 | Low | 163 Ų | 163 | 155.3 Ų | 155.3 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | | | trans | -68.5 | 125.2 | 163.6 | -86.3 | -61.9 | 0 | 0 | 0 | 109.2 | | |
| 10 | T | 59 | Low | 53 | Low | 116 Ų | 116 | 156.2 Ų | 156.2 | 71% | 0.712 | 83% | 0.826 | S | S | * | * | | | trans | -105.7 | 113.1 | 173.1 | -49.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 11 | M | 64.6 | Low | 53.1 | Low | 188 Ų | 188 | 156 Ų | 156 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | | | trans | -91.4 | 107.6 | 175.4 | -134.4 | 125.9 | -164.9 | 0 | 0 | 108 | | |
| 12 | E | 55.5 | Low | 52.9 | Low | 170 Ų | 170 | 152.8 Ų | 152.8 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | -100.1 | 104.7 | 174.7 | -146.3 | 126.1 | 147.3 | 0 | 0 | 107.6 | | |
| 13 | D | 52.9 | Low | 53.2 | Low | 154 Ų | 154 | 155.8 Ų | 155.8 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | trans | -99.9 | 136.7 | -179.9 | -153.9 | 9.4 | 0 | 0 | 0 | 110.4 | | |
| 14 | H | 47.1 | Very low | 52.8 | Low | 184 Ų | 184 | 158 Ų | 158 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | | | trans | -82.8 | 122.1 | -172.6 | -73.6 | -76.6 | 0 | 0 | 0 | 111.4 | | |
| 15 | A | 45.5 | Very low | 51.9 | Low | 108 Ų | 108 | 162.3 Ų | 162.3 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | | | trans | -109.2 | 97.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 16 | G | 49.9 | Very low | 52 | Low | 69 Ų | 69 | 156.8 Ų | 156.8 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | | | trans | -101.1 | 113.2 | 167 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 17 | D | 48.6 | Very low | 51.5 | Low | 149 Ų | 149 | 155.4 Ų | 155.4 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | | | trans | -79.6 | 121.1 | 179.5 | -165 | 15.4 | 0 | 0 | 0 | 110.2 | | |
| 18 | Y | 44.5 | Very low | 51.5 | Low | 221 Ų | 221 | 155.9 Ų | 155.9 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | | | trans | -105 | 114.7 | 172.5 | -90.4 | -89.9 | 0 | 0 | 0 | 108.8 | | |
| 19 | T | 50.2 | Low | 51 | Low | 126 Ų | 126 | 155.1 Ų | 155.1 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | | | trans | -95.8 | 114.5 | 170.7 | 40.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 20 | L | 51.6 | Low | 50.3 | Low | 172 Ų | 172 | 156.5 Ų | 156.5 | 90% | 0.901 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 122.5 | 174.4 | 178 | 62.3 | 0 | 0 | 0 | 109.2 | | |
| 21 | L | 54.6 | Low | 49.7 | Very low | 154 Ų | 154 | 154.6 Ų | 154.6 | 81% | 0.806 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 143.4 | 169.7 | -100.4 | 96.4 | 0 | 0 | 0 | 111.4 | | |
| 22 | Q | 44.5 | Very low | 48.7 | Very low | 180 Ų | 180 | 153.7 Ų | 153.7 | 84% | 0.841 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 139.4 | 168.4 | -73 | 156.5 | 17.7 | 0 | 0 | 111.2 | | |
| 23 | D | 55.8 | Low | 48.1 | Very low | 166 Ų | 166 | 155.2 Ų | 155.2 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | | | trans | -140.3 | 139 | 150.3 | -83.8 | -40.8 | 0 | 0 | 0 | 109.7 | | |
| 24 | Q | 48.8 | Very low | 47.5 | Very low | 196 Ų | 196 | 156.6 Ų | 156.6 | 92% | 0.916 | 84% | 0.843 | S | S | * | * | | | trans | -77.3 | 152.4 | -166.5 | -76.3 | 169 | 27.2 | 0 | 0 | 113.8 | | |
| 25 | E | 40.3 | Very low | 47.4 | Very low | 201 Ų | 201 | 153.2 Ų | 153.2 | 94% | 0.939 | 84% | 0.84 | S | S | * | * | | | trans | -64 | 127.4 | 177.5 | -59.8 | 168.2 | 156.6 | 0 | 0 | 111.7 | | |
| 26 | G | 49.6 | Very low | 48.2 | Very low | 82 Ų | 82 | 153.8 Ų | 153.8 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | | | trans | -110.1 | 122.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 27 | D | 48.9 | Very low | 48.4 | Very low | 142 Ų | 142 | 156.8 Ų | 156.8 | 76% | 0.759 | 84% | 0.841 | S | S | * | * | | | trans | -77.4 | 164.4 | 178.8 | -177 | 30.2 | 0 | 0 | 0 | 112.6 | | |
| 28 | M | 55.3 | Low | 48.1 | Very low | 157 Ų | 157 | 158.4 Ų | 158.4 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | | | trans | 104.2 | 89.9 | 163.2 | -53 | -172.7 | -176.5 | 0 | 0 | 119.8 | | |
| 29 | D | 48.6 | Very low | 48.7 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 85% | 0.85 | 84% | 0.84 | S | S | * | * | | | trans | 51.6 | 121.7 | 130 | -81.9 | -44.6 | 0 | 0 | 0 | 122.8 | | |
| 30 | H | 41.4 | Very low | 49 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 89% | 0.894 | 84% | 0.841 | S | S | * | * | | | trans | -93.6 | 117.2 | 165.4 | -55.8 | -68.4 | 0 | 0 | 0 | 110.8 | | |
| 31 | G | 45.7 | Very low | 49.2 | Very low | 75 Ų | 75 | 149.9 Ų | 149.9 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | | | trans | -89.9 | 130.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 32 | L | 43.9 | Very low | 48.9 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | | | trans | -135.7 | 115.8 | 165.1 | -72.8 | 179 | 0 | 0 | 0 | 110.5 | | |
| 33 | K | 42.9 | Very low | 49.3 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | | | trans | 163.1 | 129.3 | 162.1 | -96.7 | 170.1 | 179.4 | -177.5 | 0 | 104 | | |
| 34 | E | 40.2 | Very low | 48.8 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | | | cis | -174 | 160.6 | 42.6 | -169 | 168.1 | 116.2 | 0 | 0 | 107.8 | | |
| 35 | S | 45.6 | Very low | 48.8 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | | | trans | -65.7 | 166.8 | -167.7 | -45 | 0 | 0 | 0 | 0 | 118.1 | | |
| 36 | P | 60.4 | Low | 49.1 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | | | trans | -128.4 | 151.6 | 143.5 | 34.8 | -22.2 | 0 | 0 | 0 | 113.4 | | |
| 37 | P | 55.5 | Low | 49.6 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | | | trans | -92.5 | 154 | 178 | 35.4 | -30.6 | 0 | 0 | 0 | 114 | | |
| 38 | Q | 41.8 | Very low | 49.6 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -68.5 | 165 | 180 | -63.4 | 170.2 | -90.5 | 0 | 0 | 115 | | |
| 39 | P | 56.6 | Low | 49.1 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | | | trans | -112.1 | 150 | 141.4 | 35.4 | -26.8 | 0 | 0 | 0 | 112.2 | | |
| 40 | P | 56.9 | Low | 49.3 | Very low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -110.4 | 173 | 177.2 | 39.8 | -30.3 | 0 | 0 | 0 | 114.5 | | |
| 41 | A | 55 | Low | 49.4 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | | | trans | 86.5 | 106.1 | 167 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 42 | D | 48.2 | Very low | 49.5 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | | 97.6 | 145.7 | 58 | -162.5 | 33.7 | 0 | 0 | 0 | 111.6 | | |
| 43 | D | 54.5 | Low | 50 | Low | 151 Ų | 151 | 132.6 Ų | 132.6 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | trans | 79.1 | 118.4 | 173 | -77.5 | -53 | 0 | 0 | 0 | 121 | | |
| 44 | G | 44.7 | Very low | 50.1 | Low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | 140.1 | 85.7 | 135.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 45 | A | 48.5 | Very low | 50.4 | Low | 94 Ų | 94 | 125.3 Ų | 125.3 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | | | trans | 79.9 | 113.4 | 137.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 46 | E | 47.8 | Very low | 50.5 | Low | 171 Ų | 171 | 129.3 Ų | 129.3 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | | 63.4 | 102.9 | 123.2 | -58.4 | -66.8 | 119.1 | 0 | 0 | 121.5 | | |
| 47 | E | 58.6 | Low | 49.7 | Very low | 174 Ų | 174 | 128.4 Ų | 128.4 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | | 58.3 | 149.4 | 126.1 | -76.1 | -73.9 | 114.5 | 0 | 0 | 123.7 | | |
| 48 | P | 50.2 | Low | 49.2 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -110.6 | 176.7 | -152.9 | 43.2 | -34.3 | 0 | 0 | 0 | 113.4 | | |
| 49 | G | 44.5 | Very low | 49.5 | Very low | 61 Ų | 61 | 124.8 Ų | 124.8 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | trans | 173.4 | 122.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 50 | S | 51.6 | Low | 48.9 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | 75.2 | 122.4 | 143.4 | 45.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 51 | E | 43.4 | Very low | 48.3 | Very low | 182 Ų | 182 | 123.7 Ų | 123.7 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | -52.2 | 151.6 | 159.2 | -62.1 | 160.6 | 89 | 0 | 0 | 114.1 | | |
| 52 | T | 49.6 | Very low | 48.5 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | 167 | 114 | 140 | 51.9 | 0 | 0 | 0 | 0 | 105.4 | | |
| 53 | S | 52.5 | Low | 48.2 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | | 117.7 | 154.6 | 69.7 | 65.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 54 | D | 45.2 | Very low | 47.9 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | 85.1 | 92.1 | 158.1 | -56.3 | -61.3 | 0 | 0 | 0 | 120.4 | | |
| 55 | A | 46.5 | Very low | 47.9 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | | 46.5 | 115.5 | 112.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 56 | K | 49.1 | Very low | 47.6 | Very low | 196 Ų | 196 | 128 Ų | 128 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | | | | -173.4 | 129.6 | 126.5 | -114.6 | -179.6 | 173 | 172.7 | 0 | 113.7 | | |
| 57 | S | 43.3 | Very low | 47.4 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | 70.5 | 108 | 133.5 | -61.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 58 | T | 44.2 | Very low | 46.6 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -40.4 | -177.8 | 137.7 | 39.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 59 | P | 48.3 | Very low | 46.5 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | | | cis | -139.2 | 166.4 | -47.9 | 38.9 | -23.1 | 0 | 0 | 0 | 112.5 | | |
| 60 | T | 43.2 | Very low | 46.3 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -169.7 | 107.6 | 159.2 | -56.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 61 | A | 44.9 | Very low | 45.9 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | | 58.5 | 101 | 87.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 62 | E | 59.3 | Low | 45.6 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -137.5 | 111.7 | 160.2 | -67 | -81.9 | 137.5 | 0 | 0 | 107.5 | | |
| 63 | D | 41.4 | Very low | 45.2 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | | | trans | -99.3 | 124 | 173.4 | 164.9 | 53 | 0 | 0 | 0 | 107.8 | | |
| 64 | V | 49.7 | Very low | 45 | Very low | 127 Ų | 127 | 133 Ų | 133 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | -147.4 | 89.1 | 165.7 | -170.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 65 | T | 43.3 | Very low | 44.5 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | | 47.1 | 105.7 | 116.9 | -60 | 0 | 0 | 0 | 0 | 120.6 | | |
| 66 | A | 42.3 | Very low | 44.4 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | | 55.9 | 173.5 | 120.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 67 | P | 45.1 | Very low | 43.9 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | cis | -139.6 | 162.1 | -8.3 | 39.6 | -20.4 | 0 | 0 | 0 | 117.2 | | |
| 68 | L | 40.1 | Very low | 43.5 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | | | trans | 38 | 123.2 | 130.1 | -170.2 | 71.6 | 0 | 0 | 0 | 121.7 | | |
| 69 | V | 48.1 | Very low | 43.3 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 92% | 0.915 | 78% | 0.776 | S | S | * | * | | | | -154.4 | 137.1 | 123.7 | -135.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 70 | D | 40.8 | Very low | 42.8 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -118.6 | 135.2 | -177.1 | -160.6 | -61.8 | 0 | 0 | 0 | 107.2 | | |
| 71 | E | 43.1 | Very low | 42.8 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -153.7 | 107 | 161.3 | -104.8 | -142.2 | 100.4 | 0 | 0 | 107.6 | | |
| 72 | R | 37.5 | Very low | 42.9 | Very low | 214 Ų | 214 | 135.4 Ų | 135.4 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | | | | 81.7 | 114.2 | 69.7 | -167.5 | 165.1 | -170 | -130.1 | 1 | 113.8 | | |
| 73 | A | 41.8 | Very low | 41.9 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | | | trans | -74.9 | 171.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 74 | P | 47.3 | Very low | 41.9 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | -127.2 | 133 | 155.7 | 33.3 | -17.6 | 0 | 0 | 0 | 114.8 | | |
| 75 | D | 36.2 | Very low | 41.3 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | | | trans | -80.2 | 175 | 164.9 | -67.5 | -64 | 0 | 0 | 0 | 113.5 | | |
| 76 | K | 42.8 | Very low | 41.5 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | | | trans | 94.6 | 144 | 156.4 | -59.7 | -176.7 | -178.1 | -177.6 | 0 | 115.6 | | |
| 77 | Q | 40 | Very low | 41.8 | Very low | 163 Ų | 163 | 137 Ų | 137 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | cis | -170.5 | 135.1 | 22.7 | -124 | 156.7 | -1.8 | 0 | 0 | 106.9 | | |
| 78 | A | 33.8 | Very low | 41.7 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | | | | 81.2 | 131.6 | 98.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 79 | A | 39.5 | Very low | 41.8 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | | | trans | 133.9 | 105.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 80 | A | 39.4 | Very low | 41.5 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | | 69.1 | 129.2 | 88.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 81 | Q | 42.7 | Very low | 41.5 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | cis | -173 | -179.8 | 22.3 | -100.7 | -98.6 | -45.4 | 0 | 0 | 108 | | |
| 82 | P | 47.2 | Very low | 41.6 | Very low | 83 Ų | 83 | 130.9 Ų | 130.9 | 54% | 0.539 | 75% | 0.747 | S | S | . | * | | | trans | -111.1 | -143.7 | -139 | 44.7 | -38.6 | 0 | 0 | 0 | 115.8 | | |
| 83 | H | 38.1 | Very low | 42.2 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | 100 | 130.6 | 171.4 | -46.5 | -67.7 | 0 | 0 | 0 | 114.4 | | |
| 84 | T | 40.5 | Very low | 42.3 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | | | cis | -175.3 | 148.7 | 4.2 | 11.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 85 | E | 38.9 | Very low | 42.1 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | 61.3 | 104.8 | 143.6 | -66 | 176.4 | 145.3 | 0 | 0 | 119.9 | | |
| 86 | I | 46.4 | Very low | 42.3 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 77% | 0.774 | 74% | 0.736 | S | S | * | * | | | | 47.5 | 148.7 | 77.9 | -22.5 | 159.7 | 0 | 0 | 0 | 112 | | |
| 87 | P | 49.4 | Very low | 42.5 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | | | cis | -156.7 | 175.3 | 6.9 | 55.2 | -35.9 | 0 | 0 | 0 | 119.8 | | |
| 88 | E | 43.1 | Very low | 42.4 | Very low | 191 Ų | 191 | 121 Ų | 121 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | | | trans | 51.8 | 146.3 | 147.6 | -21.4 | -161.3 | 136.6 | 0 | 0 | 125.6 | | |
| 89 | G | 42.1 | Very low | 42.9 | Very low | 63 Ų | 63 | 123.7 Ų | 123.7 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | | | trans | 148.5 | 69.6 | 153 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 90 | I | 42 | Very low | 43 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | | 74.9 | 132.6 | 99.1 | 70.6 | 147.9 | 0 | 0 | 0 | 117.7 | | |
| 91 | T | 40 | Very low | 43.6 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | trans | 67.2 | 145.1 | 147.9 | 55.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 92 | A | 43.9 | Very low | 43.3 | Very low | 69 Ų | 69 | 125 Ų | 125 | 57% | 0.57 | 73% | 0.732 | S | S | * | * | | | cis | -178.9 | 174.9 | -9.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 93 | E | 51.2 | Low | 43.5 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | trans | 74.6 | 138.6 | 161.6 | -48.9 | -52.8 | 150.4 | 0 | 0 | 115.9 | | |
| 94 | E | 42.9 | Very low | 43.8 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | | | cis | -177.2 | 155.6 | -0.4 | -178 | -166.2 | 140.7 | 0 | 0 | 105.9 | | |
| 95 | A | 44 | Very low | 44.4 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | trans | 63 | 132.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 96 | G | 39.7 | Very low | 45.4 | Very low | 58 Ų | 58 | 131.1 Ų | 131.1 | 60% | 0.598 | 75% | 0.75 | S | S | * | * | | | cis | 149.1 | 144.7 | 12.9 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 97 | I | 47.4 | Very low | 45.1 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | | | trans | 74.7 | 119.5 | 160.4 | -45.4 | 146.4 | 0 | 0 | 0 | 112.9 | | |
| 98 | G | 38.5 | Very low | 45.3 | Very low | 61 Ų | 61 | 128.6 Ų | 128.6 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | cis | 115.6 | 144.1 | 39.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 99 | D | 43.5 | Very low | 45.3 | Very low | 153 Ų | 153 | 123.4 Ų | 123.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | 89.6 | 90.8 | 166.4 | -49.5 | -33.2 | 0 | 0 | 0 | 118.7 | | |
| 100 | T | 42.5 | Very low | 45.8 | Very low | 139 Ų | 139 | 128 Ų | 128 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | -88 | 144.8 | 132 | 42.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 101 | P | 51.7 | Low | 45.8 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | | | | -141.7 | 137 | 122.8 | 29.4 | -11.5 | 0 | 0 | 0 | 114.1 | | |
| 102 | N | 37.3 | Very low | 46.6 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | trans | -50.9 | 135.6 | 160.7 | -171.1 | 29.3 | 0 | 0 | 0 | 111.5 | | |
| 103 | Q | 49.9 | Very low | 46.5 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | trans | -142 | 136.4 | 157.6 | -76.2 | -163.9 | 47.4 | 0 | 0 | 111 | | |
| 104 | E | 45.7 | Very low | 46 | Very low | 174 Ų | 174 | 127.8 Ų | 127.8 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -72.5 | -172 | 179.4 | -66.1 | 150.1 | 101.9 | 0 | 0 | 112.1 | | |
| 105 | D | 53 | Low | 46 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | | | trans | 95.6 | 117.7 | 167.4 | -125.9 | 8.8 | 0 | 0 | 0 | 113.7 | | |
| 106 | Q | 58.3 | Low | 46.1 | Very low | 158 Ų | 158 | 133 Ų | 133 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | | -165.8 | 142.2 | 55.8 | -84 | -76.6 | -10.2 | 0 | 0 | 111.3 | | |
| 107 | A | 40.3 | Very low | 46.3 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | | | trans | -113.5 | 119.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 108 | A | 54.5 | Low | 46.3 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -159.2 | 131.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 109 | G | 42.9 | Very low | 46.9 | Very low | 82 Ų | 82 | 138.2 Ų | 138.2 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | cis | 110.8 | 82.9 | 43 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 110 | H | 51.6 | Low | 47 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | -145 | 106.4 | 170.9 | 178.2 | -92.4 | 0 | 0 | 0 | 111.2 | T112 | H110-T112 PolarHBondContact CE1-OG1 3.27Å; H110-T112 PolarHBondContact NE2-OG1 3.48Å |
| 111 | V | 42.9 | Very low | 47.2 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | | | trans | -112.9 | 120.4 | 165.2 | 163 | 0 | 0 | 0 | 0 | 106.6 | | |
| 112 | T | 56.5 | Low | 46.7 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 66% | 0.663 | 79% | 0.788 | S | S | * | * | | | trans | -123.4 | 123.9 | 168.7 | -67.3 | 0 | 0 | 0 | 0 | 108.8 | H110 | H110-T112 PolarHBondContact CE1-OG1 3.27Å; H110-T112 PolarHBondContact NE2-OG1 3.48Å |
| 113 | Q | 41.9 | Very low | 47 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | -77.3 | 147.3 | 178.4 | -61.8 | 175.1 | 24.4 | 0 | 0 | 111.6 | | |
| 114 | A | 40.4 | Very low | 46.8 | Very low | 84 Ų | 84 | 137.4 Ų | 137.4 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | | | | 174.9 | 127.3 | 128.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 115 | R | 42.9 | Very low | 47 | Very low | 236 Ų | 236 | 135.8 Ų | 135.8 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | | | trans | 63.6 | 138.4 | 140.4 | -66.2 | -174.4 | -178.5 | 169.8 | 1.4 | 118.2 | | |
| 116 | V | 47.3 | Very low | 46.5 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | | | cis | -168.2 | 147.9 | 5.5 | -99.2 | 0 | 0 | 0 | 0 | 108 | | |
| 117 | A | 43.2 | Very low | 46.1 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | 52.5 | 110.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 118 | S | 46.8 | Very low | 46.1 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | | 176.9 | 104.8 | 110 | -76.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 119 | K | 51.4 | Low | 45.6 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | 28.1 | 107.7 | 130.2 | -162.8 | 159.2 | -174.6 | 174.9 | 0 | 119.6 | | |
| 120 | D | 45.8 | Very low | 45.6 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 65% | 0.647 | 79% | 0.792 | S | S | * | * | | | | 149.7 | 131.3 | 109.7 | -98.4 | -23.1 | 0 | 0 | 0 | 114.5 | | |
| 121 | R | 47.5 | Very low | 44.9 | Very low | 216 Ų | 216 | 144.3 Ų | 144.3 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | trans | 79.9 | 93.2 | 152.3 | -62.6 | 177.1 | -168.3 | -164.7 | 3.4 | 121.5 | | |
| 122 | T | 41.1 | Very low | 45.1 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | | 30.8 | 124.7 | 122.8 | 52.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 123 | G | 42.3 | Very low | 44.4 | Very low | 76 Ų | 76 | 145.8 Ų | 145.8 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | | | trans | 144.8 | 91.6 | 140.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 124 | N | 47 | Very low | 44.5 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | | | trans | 39.8 | 115.6 | 149.1 | -73.1 | 11.4 | 0 | 0 | 0 | 122.7 | | |
| 125 | D | 49.7 | Very low | 44.7 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | | | | 54 | 125.9 | 119.6 | -73 | -65.4 | 0 | 0 | 0 | 124.2 | | |
| 126 | E | 42.9 | Very low | 44.7 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 66% | 0.664 | 81% | 0.81 | S | S | * | * | | | trans | 81.6 | 100.7 | 140.3 | -68.3 | -162.9 | 107.3 | 0 | 0 | 122.4 | | |
| 127 | K | 50.2 | Low | 44.3 | Very low | 182 Ų | 182 | 139.8 Ų | 139.8 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | | 57.1 | 103.3 | 127.4 | -66.3 | 175.8 | -170.5 | 142.2 | 0 | 118.2 | | |
| 128 | K | 38.7 | Very low | 44.6 | Very low | 207 Ų | 207 | 140.3 Ų | 140.3 | 90% | 0.9 | 82% | 0.815 | S | S | * | * | | | trans | -123.7 | 100 | 154.5 | -170.5 | 169.6 | -176.9 | 174.4 | 0 | 109.8 | | |
| 129 | A | 45.6 | Very low | 44.5 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | | | trans | -80.4 | 138.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 130 | K | 41.9 | Very low | 44.3 | Very low | 208 Ų | 208 | 143.2 Ų | 143.2 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | | | trans | -89.3 | 128.4 | -177.7 | -175.4 | 177.8 | -177.6 | 179 | 0 | 107.8 | | |
| 131 | G | 37.6 | Very low | 44.4 | Very low | 70 Ų | 70 | 142.2 Ų | 142.2 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | | | trans | -151.3 | 100.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 132 | A | 46.3 | Very low | 44.3 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | | | trans | -88.6 | 117.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 133 | D | 41.4 | Very low | 44.8 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | | | trans | -92.5 | 127.5 | 170 | -84 | -66.1 | 0 | 0 | 0 | 110 | | |
| 134 | G | 43.6 | Very low | 44.6 | Very low | 72 Ų | 72 | 145.1 Ų | 145.1 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | | | trans | -154.6 | 99.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 135 | K | 45.8 | Very low | 44.2 | Very low | 204 Ų | 204 | 141.1 Ų | 141.1 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | | | trans | 90.5 | 98.6 | 137.9 | -155.9 | 172.1 | -169.8 | 173.4 | 0 | 117.9 | | |
| 136 | T | 41.7 | Very low | 43.7 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 91% | 0.908 | 83% | 0.83 | S | S | * | * | | | | -145.7 | 124.1 | 123.5 | 44.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 137 | G | 40.9 | Very low | 43.6 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | | | trans | -100.6 | 132.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 138 | A | 47.8 | Very low | 43.3 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | | | trans | -126.5 | 130.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 139 | K | 45.9 | Very low | 43.8 | Very low | 207 Ų | 207 | 129.8 Ų | 129.8 | 90% | 0.9 | 83% | 0.827 | S | S | * | * | | | trans | -106 | 124.9 | -175.6 | -7.3 | -162.3 | -172.1 | -169.1 | 0 | 107.1 | | |
| 140 | I | 46.6 | Very low | 43.6 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | | | trans | -127.3 | 121.2 | 165.1 | -65 | 175.2 | 0 | 0 | 0 | 106.8 | | |
| 141 | A | 47.4 | Very low | 43.9 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -107.6 | 146 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 142 | T | 45.5 | Very low | 44 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | | | trans | -156.6 | 169.9 | 169 | -4.7 | 0 | 0 | 0 | 0 | 106.1 | | |
| 143 | P | 51.1 | Low | 43.6 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | | | | -136.3 | 171.3 | -53.8 | 32.5 | -13.4 | 0 | 0 | 0 | 112.5 | | |
| 144 | R | 38.5 | Very low | 43.6 | Very low | 258 Ų | 258 | 129.4 Ų | 129.4 | 97% | 0.974 | 81% | 0.809 | S | S | * | * | | | trans | -177.3 | 142.1 | 154.6 | -131.4 | 170.8 | 172.6 | 161.6 | -2.9 | 107.5 | | |
| 145 | G | 38.7 | Very low | 43.5 | Very low | 67 Ų | 67 | 130.4 Ų | 130.4 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | | | cis | 156.3 | 160.4 | 5.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 146 | A | 40 | Very low | 43.1 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | trans | 76.7 | 145.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 147 | A | 40.5 | Very low | 43 | Very low | 83 Ų | 83 | 125.7 Ų | 125.7 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | | | cis | -164.5 | 132 | 15.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 148 | S | 42.8 | Very low | 43.4 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | | 92.9 | 167 | 98.5 | -46.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 149 | P | 50.4 | Low | 43 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | | -134.7 | -179.6 | -106.6 | 29.5 | -3.4 | 0 | 0 | 0 | 115.1 | | |
| 150 | A | 40.9 | Very low | 43.3 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | 140.2 | 150.2 | 162 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 151 | Q | 49.1 | Very low | 43.1 | Very low | 161 Ų | 161 | 130.3 Ų | 130.3 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | cis | -169.8 | 148.9 | 9 | -126.4 | 178.3 | -8.8 | 0 | 0 | 109.4 | | |
| 152 | K | 38.9 | Very low | 42.5 | Very low | 197 Ų | 197 | 130.3 Ų | 130.3 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | | | trans | 58.9 | 139 | 143.1 | -84.6 | 179.6 | -167.8 | 180 | 0 | 125.8 | | |
| 153 | G | 38.8 | Very low | 42.3 | Very low | 64 Ų | 64 | 133.9 Ų | 133.9 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | | | trans | 121.9 | 82.2 | 138 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 154 | T | 40.8 | Very low | 42 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | | | | 59.7 | 125.9 | 88.1 | 68.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 155 | S | 41.7 | Very low | 42 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | | | trans | 71.4 | 117.5 | 140.7 | 66.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 156 | N | 37.4 | Very low | 42.1 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | | 173.4 | 141.3 | 87.2 | -94.7 | -40.2 | 0 | 0 | 0 | 112.7 | | |
| 157 | A | 40.2 | Very low | 42.1 | Very low | 96 Ų | 96 | 130 Ų | 130 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | | | trans | -85.5 | 146.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 158 | T | 48.5 | Very low | 42 | Very low | 141 Ų | 141 | 132 Ų | 132 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | trans | -119.6 | 111.8 | 166.2 | -59.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 159 | R | 40.1 | Very low | 41.8 | Very low | 235 Ų | 235 | 136.1 Ų | 136.1 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | -134.6 | 117.2 | 171.6 | 173.7 | -152.9 | -98.2 | -131.1 | -0.2 | 106.6 | | |
| 160 | I | 52.1 | Low | 41.2 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -160.6 | 143.6 | 167.4 | -54.1 | -174.7 | 0 | 0 | 0 | 108.4 | | |
| 161 | P | 40.7 | Very low | 41.4 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | cis | -141.2 | 175.7 | -31.4 | 41.1 | -23.3 | 0 | 0 | 0 | 115 | | |
| 162 | A | 35.5 | Very low | 41 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | -84.8 | 160.1 | 171 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 163 | K | 41.4 | Very low | 40.8 | Very low | 198 Ų | 198 | 130.3 Ų | 130.3 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | -160.3 | 136.7 | 150.3 | -107.7 | -170.6 | 169.3 | -176.6 | 0 | 106 | | |
| 164 | T | 45.2 | Very low | 40.8 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | | | cis | -172.6 | 137.9 | -0.7 | 13.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 165 | T | 38.3 | Very low | 40.6 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -75.6 | -176 | 160.4 | 44.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 166 | P | 41.6 | Very low | 40.5 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 69% | 0.688 | 81% | 0.813 | S | S | * | * | | | cis | -141.7 | 176.5 | 3.3 | 34.1 | -10.6 | 0 | 0 | 0 | 117.6 | | |
| 167 | S | 39.5 | Very low | 40.7 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | trans | 80 | 137 | 141.9 | 44.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 168 | P | 38.4 | Very low | 40.9 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | trans | -100.8 | 151.2 | 179.9 | 39.2 | -31.8 | 0 | 0 | 0 | 113.3 | | |
| 169 | K | 39.1 | Very low | 40.5 | Very low | 202 Ų | 202 | 137.1 Ų | 137.1 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | | | trans | -173.4 | 109.2 | 161.9 | -104.1 | 162.4 | -172.4 | -176.5 | 0 | 112.6 | | |
| 170 | T | 36.1 | Very low | 40.4 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | | | trans | 37.6 | 154.9 | 138.7 | 19 | 0 | 0 | 0 | 0 | 123.8 | | |
| 171 | P | 46.1 | Very low | 39.6 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | -112.4 | -173.9 | -142.3 | 47.5 | -35.5 | 0 | 0 | 0 | 113.4 | | |
| 172 | P | 40 | Very low | 39.3 | Very low | 132 Ų | 132 | 131 Ų | 131 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | | -153.4 | 174.3 | 79.4 | 37.3 | -15.4 | 0 | 0 | 0 | 116 | | |
| 173 | G | 35.6 | Very low | 39.4 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | | | trans | 126 | 107.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 174 | S | 37.5 | Very low | 39.3 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | | 116 | 112.4 | 59 | 157.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 175 | G | 36.8 | Very low | 39 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | 151.1 | 69.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 176 | E | 39.6 | Very low | 39.4 | Very low | 190 Ų | 190 | 136.6 Ų | 136.6 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | trans | -60.7 | 155 | 161.5 | -80.2 | 175.2 | 95.2 | 0 | 0 | 112 | | |
| 177 | P | 41.4 | Very low | 39.5 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | | | | -139.1 | 177.2 | 106.6 | 38.5 | -25 | 0 | 0 | 0 | 111.1 | | |
| 178 | P | 45.9 | Very low | 39.7 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | | | cis | -135.6 | 161.3 | 11 | 34.8 | -13.7 | 0 | 0 | 0 | 116.4 | | |
| 179 | K | 38.7 | Very low | 40.2 | Very low | 195 Ų | 195 | 136.1 Ų | 136.1 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -78.4 | 143.1 | 165.4 | -75.8 | 175.7 | 174.7 | 170.7 | 0 | 111.2 | | |
| 180 | S | 38.6 | Very low | 40 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -32 | 136.1 | 148.8 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 181 | G | 35.2 | Very low | 40.4 | Very low | 74 Ų | 74 | 129.5 Ų | 129.5 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | | | cis | 123.8 | 87.9 | 45.4 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 182 | E | 35 | Very low | 40.5 | Very low | 188 Ų | 188 | 130.4 Ų | 130.4 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | | | trans | -140.9 | 153 | 177 | -72.3 | -167.8 | 142.3 | 0 | 0 | 110.4 | | |
| 183 | R | 36.8 | Very low | 40.4 | Very low | 248 Ų | 248 | 127.9 Ų | 127.9 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | | | trans | 83.7 | 130.2 | -177.7 | -69.3 | 178.6 | 158.9 | -161.7 | -6 | 114.5 | | |
| 184 | S | 40.7 | Very low | 40.9 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | | | cis | -159.1 | 157.7 | 22.5 | 46.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 185 | G | 38.2 | Very low | 41.3 | Very low | 70 Ų | 70 | 130.9 Ų | 130.9 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | | | cis | 158.8 | 172.1 | 17.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 186 | Y | 46.3 | Very low | 41.4 | Very low | 227 Ų | 227 | 130.4 Ų | 130.4 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | | | trans | 80 | 118.9 | 173.9 | -179.4 | -81.8 | 0 | 0 | 0 | 115.2 | | |
| 187 | S | 43.7 | Very low | 41.7 | Very low | 86 Ų | 86 | 127 Ų | 127 | 60% | 0.601 | 81% | 0.809 | S | S | * | * | | | cis | -163 | 150.1 | 22.3 | -114.7 | 0 | 0 | 0 | 0 | 115 | | |
| 188 | S | 44.1 | Very low | 41.9 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | -80.4 | -164.1 | 174.5 | -43.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 189 | P | 48.6 | Very low | 42 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | cis | -142.9 | 174.7 | -4.5 | 34.5 | -11.7 | 0 | 0 | 0 | 117.2 | | |
| 190 | G | 36.1 | Very low | 42.2 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | | | trans | 133.6 | 103.9 | 143.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 191 | S | 43.5 | Very low | 42.5 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | | | trans | -89.3 | 174.5 | 158.2 | -39.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 192 | P | 48.2 | Very low | 42.9 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | | -158.6 | 174 | 54.3 | 39.3 | -14.9 | 0 | 0 | 0 | 119.5 | | |
| 193 | G | 37.3 | Very low | 43.3 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | 104.8 | 106.8 | 135.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 194 | T | 47.8 | Very low | 44 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | | | trans | -69.3 | 171.4 | 154.3 | 46.7 | 0 | 0 | 0 | 0 | 112 | | |
| 195 | P | 44.9 | Very low | 44.3 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | cis | -159.5 | -173.1 | 44.3 | 41.6 | -16.5 | 0 | 0 | 0 | 118.5 | | |
| 196 | G | 39.8 | Very low | 44.9 | Very low | 66 Ų | 66 | 130.6 Ų | 130.6 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | | | trans | 129.4 | 98.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 197 | S | 44.8 | Very low | 45.3 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | | 91.3 | 115 | 73.6 | -90 | 0 | 0 | 0 | 0 | 115 | | |
| 198 | R | 45.7 | Very low | 45.9 | Very low | 231 Ų | 231 | 126.4 Ų | 126.4 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | 105.1 | 114.9 | 139 | -71.4 | 176.8 | 171.7 | -172.4 | -2.7 | 120.9 | | |
| 199 | S | 48.7 | Very low | 45.9 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | | 66.9 | 112.3 | 129.8 | -64.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 200 | R | 43.2 | Very low | 46 | Very low | 236 Ų | 236 | 132.1 Ų | 132.1 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | | 66.8 | 99.6 | 79.7 | -70.8 | -170.1 | -155.2 | -171.9 | 6.5 | 113.8 | | |
| 201 | T | 43.2 | Very low | 46.9 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | trans | -163 | 131.3 | 147.7 | 37.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 202 | P | 43.8 | Very low | 47.2 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -104.8 | 158.8 | 175.5 | 37 | -28.9 | 0 | 0 | 0 | 114 | | |
| 203 | S | 44.5 | Very low | 47.2 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | 66 | 127.2 | 158.9 | 64.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 204 | L | 50.5 | Low | 47.9 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | | 173.2 | 177.3 | 104.5 | -135.4 | 75.3 | 0 | 0 | 0 | 110.4 | | |
| 205 | P | 46.6 | Very low | 48 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | | | | -117.8 | 168.6 | -104 | 40 | -23.1 | 0 | 0 | 0 | 117.5 | | |
| 206 | T | 50.8 | Low | 48.6 | Very low | 130 Ų | 130 | 143 Ų | 143 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | | | trans | -26.9 | 158.3 | 169.6 | 1.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 207 | P | 56.1 | Low | 49.6 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | | -153.8 | -166.6 | 87.1 | 45.2 | -24.7 | 0 | 0 | 0 | 114.8 | | |
| 208 | P | 55.6 | Low | 50.3 | Low | 107 Ų | 107 | 146 Ų | 146 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | | | | -128.6 | 153.4 | -84.5 | 37.2 | -18.1 | 0 | 0 | 0 | 116.7 | | |
| 209 | T | 44.4 | Very low | 50.9 | Low | 107 Ų | 107 | 145.8 Ų | 145.8 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | | | trans | 31.6 | 124.9 | 139.1 | -21.7 | 0 | 0 | 0 | 0 | 122.5 | E211 | T209-E211 HydrophobicContact CG2-CG 3.74Š|
| 210 | R | 50.1 | Low | 51.6 | Low | 253 Ų | 253 | 146.7 Ų | 146.7 | 96% | 0.955 | 79% | 0.788 | S | S | * | * | | | | -156.7 | 136.6 | 125.4 | -109.7 | -175.3 | 179.6 | -135.5 | 0.6 | 111.2 | | |
| 211 | E | 55.7 | Low | 52.8 | Low | 166 Ų | 166 | 140.6 Ų | 140.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -107 | -176.3 | -160.6 | -25 | -178.8 | -171 | 0 | 0 | 112.9 | T209 | T209-E211 HydrophobicContact CG2-CG 3.74Š|
| 212 | P | 49.7 | Very low | 54.2 | Low | 110 Ų | 110 | 140.3 Ų | 140.3 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | | | | -116.4 | 168.1 | -124.4 | 25.4 | -1.7 | 0 | 0 | 0 | 113.8 | | |
| 213 | K | 48.5 | Very low | 55.4 | Low | 201 Ų | 201 | 144.3 Ų | 144.3 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -172.1 | 127.8 | 150.6 | -103.6 | 150.1 | -170.6 | 175.8 | 0 | 114.2 | | |
| 214 | K | 52.2 | Low | 56.8 | Low | 197 Ų | 197 | 144.3 Ų | 144.3 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | 81.6 | 94.6 | 149.1 | -69.6 | -176.4 | 173.1 | -175.3 | 0 | 120.5 | | |
| 215 | V | 49.9 | Very low | 57.8 | Low | 148 Ų | 148 | 142.7 Ų | 142.7 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | -13.1 | 115.2 | 139.9 | -170.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 216 | A | 57 | Low | 58.7 | Low | 84 Ų | 84 | 143.3 Ų | 143.3 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | | | trans | -108.1 | 131.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V218 | A216-V218 PolarHBondContact O-N 3.42Š|
| 217 | V | 60.2 | Low | 59.5 | Low | 125 Ų | 125 | 141.5 Ų | 141.5 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | | | trans | -63 | 111.7 | -178.8 | 171.7 | 0 | 0 | 0 | 0 | 110 | R219 | V217-R219 PolarHBondContact O-N 3.14Š|
| 218 | V | 59.6 | Low | 59.6 | Low | 122 Ų | 122 | 141.4 Ų | 141.4 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | | | trans | -82.8 | 110.8 | 173 | 180 | 0 | 0 | 0 | 0 | 108.5 | A216 T220 | A216-V218 PolarHBondContact O-N 3.42Å; V218-T220 HydrophobicContact CG1-CG2 4.01Å |
| 219 | R | 58.1 | Low | 59.8 | Low | 226 Ų | 226 | 146.6 Ų | 146.6 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -89.7 | 107.5 | 161.9 | -77.2 | -176.6 | 156.8 | 102 | -2.1 | 107.8 | V217 | V217-R219 PolarHBondContact O-N 3.14Š|
| 220 | T | 64.6 | Low | 60.8 | Low | 117 Ų | 117 | 147 Ų | 147 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 134.6 | 174.9 | 42.8 | 0 | 0 | 0 | 0 | 110.3 | V218 | V218-T220 HydrophobicContact CG1-CG2 4.01Š|
| 221 | P | 68.4 | Low | 61.5 | Low | 109 Ų | 109 | 146.1 Ų | 146.1 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 141.8 | 175 | 24.9 | -30.8 | 0 | 0 | 0 | 110.4 | K223 | P221-K223 PolarHBondContact O-N 3.43Š|
| 222 | P | 71.6 | Confident | 61.8 | Low | 134 Ų | 134 | 146.2 Ų | 146.2 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 120.7 | -173.4 | 29.1 | -32.9 | 0 | 0 | 0 | 110.4 | | |
| 223 | K | 68.5 | Low | 62.7 | Low | 202 Ų | 202 | 149.9 Ų | 149.9 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | | | trans | -100.7 | 110 | 166.8 | -83.3 | 176.9 | 172.3 | 173.7 | 0 | 108.6 | P221 | P221-K223 PolarHBondContact O-N 3.43Š|
| 224 | S | 74.1 | Confident | 63.6 | Low | 107 Ų | 107 | 146.9 Ų | 146.9 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74 | 139.7 | 169.5 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 225 | P | 73.2 | Confident | 64.4 | Low | 126 Ų | 126 | 141.8 Ų | 141.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 134 | 175.9 | 26.6 | -31.7 | 0 | 0 | 0 | 110.9 | A227 | P225-A227 PolarHBondContact O-N 3.48Š|
| 226 | S | 64.1 | Low | 65.4 | Low | 120 Ų | 120 | 140.6 Ų | 140.6 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67 | 122.3 | 171.7 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | S228 | S226-S228 PolarHBondContact O-N 3.25Š|
| 227 | A | 67.4 | Low | 66.2 | Low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -83.3 | 109.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111 | P225 K229 | P225-A227 PolarHBondContact O-N 3.48Å; A227-K229 PolarHBondContact O-N 3.17Å |
| 228 | S | 59.4 | Low | 67.2 | Low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | | | trans | -73.2 | 118.7 | 164.7 | 38.4 | 0 | 0 | 0 | 0 | 109.8 | S226 S230 | S226-S228 PolarHBondContact O-N 3.25Å; S228-S230 PolarHBondContact O-N 3.27Å; S228-S230 VanDerWaalsContact O-N 3.14Å |
| 229 | K | 59.5 | Low | 68.1 | Low | 217 Ų | 217 | 144.4 Ų | 144.4 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | | | trans | -77.2 | 94.3 | 177.5 | -70.1 | 173 | -179.5 | 170 | 0 | 109.6 | A227 | A227-K229 PolarHBondContact O-N 3.17Š|
| 230 | S | 64.3 | Low | 69.2 | Low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -115.5 | 114.7 | 163 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | S228 | S228-S230 PolarHBondContact O-N 3.27Å; S228-S230 VanDerWaalsContact O-N 3.14Å |
| 231 | R | 65.9 | Low | 70.1 | Confident | 236 Ų | 236 | 138.8 Ų | 138.8 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | | | trans | -89.9 | 110.3 | -179 | -175.3 | 177.1 | -126.9 | 171.6 | 0.9 | 108.4 | Q233 | R231-Q233 PolarHBondContact O-N 3.18Š|
| 232 | L | 62.1 | Low | 70.9 | Confident | 167 Ų | 167 | 139.7 Ų | 139.7 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 119.9 | 167.4 | -82.1 | 152.3 | 0 | 0 | 0 | 109 | | |
| 233 | Q | 68.3 | Low | 71.5 | Confident | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 126.5 | 171.5 | -69.2 | -178.4 | -15.1 | 0 | 0 | 109 | R231 | R231-Q233 PolarHBondContact O-N 3.18Š|
| 234 | T | 67.5 | Low | 72.2 | Confident | 137 Ų | 137 | 138.5 Ų | 138.5 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 138.1 | 171.7 | 17.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 235 | A | 69.9 | Low | 72.7 | Confident | 91 Ų | 91 | 138.9 Ų | 138.9 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 139.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V237 | A235-V237 PolarHBondContact O-N 3.07Š|
| 236 | P | 70 | Confident | 73.1 | Confident | 123 Ų | 123 | 143.7 Ų | 143.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -85.1 | 8.4 | -161.7 | 32 | -34.6 | 0 | 0 | 0 | 115.8 | | |
| 237 | V | 73 | Confident | 74 | Confident | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | | | trans | -152 | 129.9 | -176.2 | -135.6 | 0 | 0 | 0 | 0 | 112.8 | A235 | A235-V237 PolarHBondContact O-N 3.07Š|
| 238 | P | 81 | Confident | 74.8 | Confident | 116 Ų | 116 | 147.8 Ų | 147.8 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 143.3 | 168.2 | 28.8 | -33 | 0 | 0 | 0 | 110.4 | | |
| 239 | M | 79 | Confident | 75.8 | Confident | 176 Ų | 176 | 148.3 Ų | 148.3 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 128.3 | 178.7 | 179.7 | 163.4 | 37.7 | 0 | 0 | 110.3 | | |
| 240 | P | 82.4 | Confident | 76.6 | Confident | 109 Ų | 109 | 139.6 Ų | 139.6 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 140.2 | -175.7 | 23.5 | -32.2 | 0 | 0 | 0 | 111.8 | | |
| 241 | D | 82.5 | Confident | 76.7 | Confident | 117 Ų | 117 | 138.4 Ų | 138.4 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 119.7 | -173 | -165.3 | 40 | 0 | 0 | 0 | 112.4 | K243 | D241-K243 WeakPolarHBondContact OD1-CE 3.09Å; D241-K243 WeakPolarHBondContact OD1-CG 3.13Å |
| 242 | L | 85.2 | Confident | 77.3 | Confident | 128 Ų | 128 | 131.8 Ų | 131.8 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | | | trans | -112 | 19.7 | -175.9 | -62.8 | 176.4 | 0 | 0 | 0 | 113.5 | N244 V245 | L242-N244 PolarHBondContact O-N 2.86Å; L242-V245 HydrophobicContact CB-CG2 4.23Å; L242-V245 HydrophobicContact CD2-CG2 4.25Å |
| 243 | K | 83.6 | Confident | 78.2 | Confident | 169 Ų | 169 | 131 Ų | 131 | 74% | 0.735 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -16.6 | -170.3 | -50.5 | -57.1 | 171.3 | 179 | 0 | 114.5 | D241 | D241-K243 WeakPolarHBondContact OD1-CE 3.09Å; D241-K243 WeakPolarHBondContact OD1-CG 3.13Å |
| 244 | N | 83 | Confident | 78.9 | Confident | 142 Ų | 142 | 126.3 Ų | 126.3 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | 20.4 | -171.2 | -62.9 | -47.9 | 0 | 0 | 0 | 114.2 | L242 R246 | L242-N244 PolarHBondContact O-N 2.86Å; N244-R246 PolarHBondContact O-N 3.13Å |
| 245 | V | 84.8 | Confident | 79.6 | Confident | 115 Ų | 115 | 126.7 Ų | 126.7 | 70% | 0.697 | 70% | 0.696 | S | S | * | * | | | trans | -70.4 | 111.4 | 173.5 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | L242 | L242-V245 HydrophobicContact CB-CG2 4.23Å; L242-V245 HydrophobicContact CD2-CG2 4.25Å |
| 246 | R | 82 | Confident | 80.3 | Confident | 227 Ų | 227 | 132.2 Ų | 132.2 | 86% | 0.857 | 70% | 0.703 | S | S | * | * | | | trans | -102.2 | 153.9 | 174.2 | -74.1 | -169.4 | -107.6 | 167.2 | -5.4 | 111.2 | N244 | N244-R246 PolarHBondContact O-N 3.13Š|
| 247 | S | 83.7 | Confident | 81.1 | Confident | 84 Ų | 84 | 132.3 Ų | 132.3 | 59% | 0.587 | 69% | 0.692 | S | S | * | * | | | trans | -62 | 143.2 | 175.1 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | I249 | S247-I249 VanDerWaalsContact C-N 3.34Å; S247-I249 PolarHBondContact OG-N 2.89Å; S247-I249 VanDerWaalsContact OG-N 3.13Å |
| 248 | K | 84 | Confident | 81.6 | Confident | 214 Ų | 214 | 134.3 Ų | 134.3 | 93% | 0.93 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -85.2 | -7.9 | 171.6 | -60.8 | -177.3 | -179.1 | -179 | 0 | 112.9 | | |
| 249 | I | 79.6 | Confident | 81.7 | Confident | 127 Ų | 127 | 132.9 Ų | 132.9 | 65% | 0.651 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -92.4 | 116.4 | -179.6 | -60.4 | 168.9 | 0 | 0 | 0 | 107.8 | S247 S251 | S247-I249 VanDerWaalsContact C-N 3.34Å; S247-I249 PolarHBondContact OG-N 2.89Å; S247-I249 VanDerWaalsContact OG-N 3.13Å; I249-S251 PolarHBondContact O-N 2.96Å |
| 250 | G | 76.2 | Confident | 82.1 | Confident | 34 Ų | 34 | 128.2 Ų | 128.2 | 35% | 0.351 | 68% | 0.682 | S | S | . | * | G | 310 helix | trans | -63.7 | 11.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | T252 E253 | G250-T252 PolarHBondContact O-N 2.94Å; G250-E253 WeakPolarHBondContact O-CB 3.34Å; G250-E253 WeakPolarHBondContact O-CG 3.27Å; G250-E253 PolarHBondContact O-N 3.05Å |
| 251 | S | 66.7 | Low | 82.3 | Confident | 88 Ų | 88 | 126.9 Ų | 126.9 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -60.9 | -15.2 | 180 | -166.5 | 0 | 0 | 0 | 0 | 113.6 | I249 | I249-S251 PolarHBondContact O-N 2.96Š|
| 252 | T | 78.2 | Confident | 82.4 | Confident | 98 Ų | 98 | 124.7 Ų | 124.7 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -78.8 | -15 | 173.2 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | G250 L255 | G250-T252 PolarHBondContact O-N 2.94Å; T252-L255 VanDerWaalsContact O-CD1 3.27Å; T252-L255 WeakPolarHBondContact O-CD1 3.11Å; T252-L255 WeakPolarHBondContact O-CG 3.47Å |
| 253 | E | 81.2 | Confident | 82.4 | Confident | 151 Ų | 151 | 129 Ų | 129 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -25.3 | 179.3 | 84.3 | -157 | 147.4 | 0 | 0 | 112.4 | G250 | G250-E253 WeakPolarHBondContact O-CB 3.34Å; G250-E253 WeakPolarHBondContact O-CG 3.27Å; G250-E253 PolarHBondContact O-N 3.05Å |
| 254 | N | 82.8 | Confident | 82.4 | Confident | 89 Ų | 89 | 127.4 Ų | 127.4 | 48% | 0.476 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.2 | 8.7 | -176.7 | -72.4 | -62.2 | 0 | 0 | 0 | 114.3 | K256 H257 | N254-K256 PolarHBondContact O-N 3.09Å; N254-K256 VanDerWaalsContact O-N 3.09Å; N254-H257 HydrophobicContact CB-CB 4.28Å; N254-H257 WeakPolarHBondContact O-CB 3.26Å; N254-H257 PolarHBondContact O-N 3.16Å |
| 255 | L | 82.6 | Confident | 82.5 | Confident | 145 Ų | 145 | 128.7 Ų | 128.7 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -24.5 | -176.7 | -67.9 | 169.9 | 0 | 0 | 0 | 114 | T252 | T252-L255 VanDerWaalsContact O-CD1 3.27Å; T252-L255 WeakPolarHBondContact O-CD1 3.11Å; T252-L255 WeakPolarHBondContact O-CG 3.47Å |
| 256 | K | 85.5 | Confident | 82.5 | Confident | 207 Ų | 207 | 129.9 Ų | 129.9 | 90% | 0.9 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -0.9 | 177 | -60.3 | -178.6 | -177.5 | 179.5 | 0 | 112.9 | N254 Q258 | N254-K256 PolarHBondContact O-N 3.09Å; N254-K256 VanDerWaalsContact O-N 3.09Å; K256-Q258 PolarHBondContact O-N 3.21Å |
| 257 | H | 85.1 | Confident | 82.7 | Confident | 125 Ų | 125 | 125.7 Ų | 125.7 | 58% | 0.579 | 71% | 0.706 | S | S | * | * | | | trans | -78.5 | 93.4 | 178 | -174.5 | 73.1 | 0 | 0 | 0 | 109.1 | N254 | N254-H257 HydrophobicContact CB-CB 4.28Å; N254-H257 WeakPolarHBondContact O-CB 3.26Å; N254-H257 PolarHBondContact O-N 3.16Å |
| 258 | Q | 84.1 | Confident | 82.7 | Confident | 160 Ų | 160 | 128.2 Ų | 128.2 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 121.4 | 159.6 | -171.1 | 64.1 | 38.2 | 0 | 0 | 107 | K256 G260 | K256-Q258 PolarHBondContact O-N 3.21Å; Q258-G260 PolarHBondContact O-N 2.99Å; Q258-G260 VanDerWaalsContact O-N 3.16Å |
| 259 | P | 84.1 | Confident | 82.9 | Confident | 86 Ų | 86 | 126.7 Ų | 126.7 | 56% | 0.558 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 126.4 | 176.6 | 23.2 | -33.6 | 0 | 0 | 0 | 108.8 | G261 | P259-G261 PolarHBondContact O-N 3.23Š|
| 260 | G | 86.3 | Confident | 83.2 | Confident | 78 Ų | 78 | 130 Ų | 130 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 123.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q258 | Q258-G260 PolarHBondContact O-N 2.99Å; Q258-G260 VanDerWaalsContact O-N 3.16Å |
| 261 | G | 86.2 | Confident | 83.6 | Confident | 80 Ų | 80 | 135.2 Ų | 135.2 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 145.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P259 | P259-G261 PolarHBondContact O-N 3.23Š|
| 262 | G | 85.7 | Confident | 84.6 | Confident | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 141.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 263 | K | 84.2 | Confident | 85 | Confident | 218 Ų | 218 | 138 Ų | 138 | 95% | 0.948 | 74% | 0.738 | S | S | * | * | | | trans | -100 | 103.3 | 166.9 | -68.2 | -173.4 | -176.7 | -171.8 | 0 | 108.2 | | |
| 264 | V | 83.8 | Confident | 85.4 | Confident | 135 Ų | 135 | 135.7 Ų | 135.7 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | -98.3 | 115.1 | 169.3 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 265 | Q | 85.6 | Confident | 85.6 | Confident | 169 Ų | 169 | 138.6 Ų | 138.6 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | -103.9 | 118.3 | 172.6 | -174 | 171.8 | 6.1 | 0 | 0 | 108.5 | I267 | Q265-I267 HydrophobicContact CG-CG1 4.48Å; Q265-I267 PolarHBondContact O-N 3.22Å |
| 266 | I | 84.7 | Confident | 85.9 | Confident | 141 Ų | 141 | 137.1 Ų | 137.1 | 72% | 0.723 | 75% | 0.752 | S | S | * | * | | | trans | -83.1 | 111.9 | 172.5 | -58.1 | 175.2 | 0 | 0 | 0 | 107.2 | | |
| 267 | I | 85.8 | Confident | 85.9 | Confident | 138 Ų | 138 | 135.3 Ų | 135.3 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | | | trans | -88.8 | 108.3 | 179.5 | -58.7 | 169.8 | 0 | 0 | 0 | 108.3 | Q265 K269 | Q265-I267 HydrophobicContact CG-CG1 4.48Å; Q265-I267 PolarHBondContact O-N 3.22Å; I267-K269 PolarHBondContact O-N 3.28Å |
| 268 | N | 85.1 | Confident | 86 | Confident | 138 Ų | 138 | 133.6 Ų | 133.6 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | | | trans | -82.7 | 96.5 | 172.1 | -73.8 | 36.2 | 0 | 0 | 0 | 109.7 | | |
| 269 | K | 87.7 | Confident | 86.1 | Confident | 181 Ų | 181 | 136.4 Ų | 136.4 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | | | trans | -93.6 | 105.4 | 168.5 | -169.4 | 175.5 | 180 | 179.7 | 0 | 108.9 | I267 L271 | I267-K269 PolarHBondContact O-N 3.28Å; K269-L271 PolarHBondContact O-N 3.43Å |
| 270 | K | 85.5 | Confident | 86.1 | Confident | 198 Ų | 198 | 136.5 Ų | 136.5 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | | | trans | -64.4 | 126.8 | 173.1 | -65.7 | -178 | -179.6 | -178.4 | 0 | 108.5 | | |
| 271 | L | 85.4 | Confident | 86 | Confident | 143 Ų | 143 | 134.6 Ų | 134.6 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | trans | -73.3 | 132.8 | 170 | -64.4 | 175.4 | 0 | 0 | 0 | 108.4 | K269 L273 | K269-L271 PolarHBondContact O-N 3.43Å; L271-L273 HydrophobicContact CB-CG 4.47Å; L271-L273 PolarHBondContact O-N 3.12Å |
| 272 | D | 86.4 | Confident | 85.8 | Confident | 122 Ų | 122 | 135.3 Ų | 135.3 | 65% | 0.652 | 73% | 0.733 | S | S | * | * | | | trans | -80.2 | 112 | 171.5 | -177.2 | 6.4 | 0 | 0 | 0 | 108.9 | S274 | D272-S274 VanDerWaalsContact OD1-CB 3.23Å; D272-S274 WeakPolarHBondContact OD1-CB 3.41Å; D272-S274 PolarHBondContact OD1-N 3.09Å; D272-S274 PolarHBondContact OD1-OG 3.41Å |
| 273 | L | 87.6 | Confident | 85.8 | Confident | 121 Ų | 121 | 139.7 Ų | 139.7 | 63% | 0.634 | 73% | 0.731 | S | S | * | * | | | trans | -111.8 | 14.3 | 179.2 | -60.9 | 173.1 | 0 | 0 | 0 | 111.4 | L271 N275 V276 | L271-L273 HydrophobicContact CB-CG 4.47Å; L271-L273 PolarHBondContact O-N 3.12Å; L273-N275 PolarHBondContact O-N 2.97Å; L273-V276 HydrophobicContact CB-CG2 4.36Å; L273-V276 HydrophobicContact CD2-CG2 4.3Å; L273-V276 PolarHBondContact O-N 3.37Å |
| 274 | S | 89.4 | Confident | 85.9 | Confident | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -27.2 | -175.2 | -72.8 | 0 | 0 | 0 | 0 | 113.8 | D272 | D272-S274 VanDerWaalsContact OD1-CB 3.23Å; D272-S274 WeakPolarHBondContact OD1-CB 3.41Å; D272-S274 PolarHBondContact OD1-N 3.09Å; D272-S274 PolarHBondContact OD1-OG 3.41Å |
| 275 | N | 87.4 | Confident | 85.9 | Confident | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 7.2 | -176.9 | -61.2 | -44 | 0 | 0 | 0 | 114 | L273 Q277 | L273-N275 PolarHBondContact O-N 2.97Å; N275-Q277 PolarHBondContact O-N 3.21Å |
| 276 | V | 87.6 | Confident | 86.1 | Confident | 114 Ų | 114 | 132.3 Ų | 132.3 | 69% | 0.691 | 70% | 0.701 | S | S | * | * | | | trans | -86 | 102.8 | -179.1 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | L273 | L273-V276 HydrophobicContact CB-CG2 4.36Å; L273-V276 HydrophobicContact CD2-CG2 4.3Å; L273-V276 PolarHBondContact O-N 3.37Å |
| 277 | Q | 85.9 | Confident | 86.3 | Confident | 169 Ų | 169 | 135.3 Ų | 135.3 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | | | trans | -101.5 | 150.5 | 172.3 | -172.9 | 175.5 | -13.3 | 0 | 0 | 111 | N275 | N275-Q277 PolarHBondContact O-N 3.21Š|
| 278 | S | 86.8 | Confident | 86.6 | Confident | 88 Ų | 88 | 134 Ų | 134 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | | | trans | -64.6 | 133.5 | 173.5 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | C280 | S278-C280 PolarHBondContact O-N 3.04Š|
| 279 | K | 87.4 | Confident | 86.6 | Confident | 219 Ų | 219 | 133.4 Ų | 133.4 | 95% | 0.952 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -77.4 | -0.8 | 171.4 | -62 | -176.2 | 178.4 | -179.2 | 0 | 113.7 | G281 | K279-G281 PolarHBondContact O-N 2.83Š|
| 280 | C | 83.6 | Confident | 86.5 | Confident | 89 Ų | 89 | 129.5 Ų | 129.5 | 60% | 0.601 | 69% | 0.694 | S | S | * | * | | | trans | -85.6 | 102.8 | 175.3 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | S278 S282 | S278-C280 PolarHBondContact O-N 3.04Å; C280-S282 PolarHBondContact O-N 3.37Å |
| 281 | G | 83.4 | Confident | 86.6 | Confident | 38 Ų | 38 | 123.9 Ų | 123.9 | 39% | 0.392 | 69% | 0.693 | S | S | . | * | | | trans | -74.9 | 30.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K279 K283 D284 | K279-G281 PolarHBondContact O-N 2.83Å; G281-K283 PolarHBondContact O-N 3.28Å; G281-D284 WeakPolarHBondContact CA-OD2 3.25Å; G281-D284 VanDerWaalsContact O-CB 3.28Å; G281-D284 WeakPolarHBondContact O-CB 3.38Å; G281-D284 PolarHBondContact O-N 2.82Å |
| 282 | S | 83.2 | Confident | 86.5 | Confident | 95 Ų | 95 | 120.2 Ų | 120.2 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -17.8 | -177.1 | 62.3 | 0 | 0 | 0 | 0 | 113.3 | C280 | C280-S282 PolarHBondContact O-N 3.37Š|
| 283 | K | 84.5 | Confident | 86.3 | Confident | 163 Ų | 163 | 118.1 Ų | 118.1 | 71% | 0.709 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -2.4 | 177.4 | -62.6 | -166.5 | 172.2 | 164.6 | 0 | 114.2 | G281 N285 I286 | G281-K283 PolarHBondContact O-N 3.28Å; K283-N285 VanDerWaalsContact C-N 3.27Å; K283-N285 PolarHBondContact O-N 3.25Å; K283-I286 HydrophobicContact CB-CD1 3.57Å; K283-I286 HydrophobicContact CB-CG1 4.31Å; K283-I286 HydrophobicContact CD-CD1 4.3Å; K283-I286 HydrophobicContact CG-CD1 3.82Å; K283-I286 WeakPolarHBondContact O-CD1 3.43Å; K283-I286 WeakPolarHBondContact O-CG1 3.47Å |
| 284 | D | 87.5 | Confident | 86 | Confident | 140 Ų | 140 | 118.5 Ų | 118.5 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -29 | -173.7 | -61.1 | -9.3 | 0 | 0 | 0 | 111.5 | G281 | G281-D284 WeakPolarHBondContact CA-OD2 3.25Å; G281-D284 VanDerWaalsContact O-CB 3.28Å; G281-D284 WeakPolarHBondContact O-CB 3.38Å; G281-D284 PolarHBondContact O-N 2.82Å |
| 285 | N | 84.2 | Confident | 85.7 | Confident | 104 Ų | 104 | 119.8 Ų | 119.8 | 56% | 0.556 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 23.7 | -173.1 | -150.3 | 20.1 | 0 | 0 | 0 | 115.1 | K283 K287 H288 | K283-N285 VanDerWaalsContact C-N 3.27Å; K283-N285 PolarHBondContact O-N 3.25Å; N285-K287 PolarHBondContact O-N 2.86Å; N285-K287 VanDerWaalsContact O-N 3.11Å; N285-H288 HydrophobicContact CB-CB 4.47Å; N285-H288 WeakPolarHBondContact ND2-CB 3.37Å; N285-H288 WeakPolarHBondContact O-CB 3.3Å; N285-H288 PolarHBondContact O-N 2.97Å; N285-H288 WeakPolarHBondContact OD1-CB 3.26Å |
| 286 | I | 88.1 | Confident | 85.6 | Confident | 123 Ų | 123 | 120.8 Ų | 120.8 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -27.7 | -176.9 | -62.9 | 165.2 | 0 | 0 | 0 | 112.4 | K283 H288 | K283-I286 HydrophobicContact CB-CD1 3.57Å; K283-I286 HydrophobicContact CB-CG1 4.31Å; K283-I286 HydrophobicContact CD-CD1 4.3Å; K283-I286 HydrophobicContact CG-CD1 3.82Å; K283-I286 WeakPolarHBondContact O-CD1 3.43Å; K283-I286 WeakPolarHBondContact O-CG1 3.47Å; I286-H288 VanDerWaalsContact C-N 3.32Å |
| 287 | K | 90.8 | Very high | 85.6 | Confident | 205 Ų | 205 | 122.8 Ų | 122.8 | 89% | 0.891 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -6.5 | -179 | -61.1 | -179.3 | -177.7 | 179.2 | 0 | 113.5 | N285 V289 | N285-K287 PolarHBondContact O-N 2.86Å; N285-K287 VanDerWaalsContact O-N 3.11Å; K287-V289 PolarHBondContact O-N 3.18Å |
| 288 | H | 90.4 | Very high | 85.7 | Confident | 110 Ų | 110 | 120 Ų | 120 | 51% | 0.509 | 71% | 0.712 | S | S | . | * | | | trans | -78.9 | 110.8 | 179.5 | 178.6 | 85.8 | 0 | 0 | 0 | 110.3 | N285 I286 P290 | N285-H288 HydrophobicContact CB-CB 4.47Å; N285-H288 WeakPolarHBondContact ND2-CB 3.37Å; N285-H288 WeakPolarHBondContact O-CB 3.3Å; N285-H288 PolarHBondContact O-N 2.97Å; N285-H288 WeakPolarHBondContact OD1-CB 3.26Å; I286-H288 VanDerWaalsContact C-N 3.32Å; H288-P290 WeakPolarHBondContact O-CD 3.34Å |
| 289 | V | 85.1 | Confident | 85.8 | Confident | 125 Ų | 125 | 125.1 Ų | 125.1 | 76% | 0.758 | 72% | 0.719 | S | S | * | * | | | trans | -76.4 | 115.2 | 162.9 | -178 | 0 | 0 | 0 | 0 | 106.1 | K287 G291 | K287-V289 PolarHBondContact O-N 3.18Å; V289-G291 PolarHBondContact O-N 3.37Å |
| 290 | P | 86.9 | Confident | 85.9 | Confident | 100 Ų | 100 | 122.8 Ų | 122.8 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | | | trans | -58.4 | 125.5 | 179.4 | 24.5 | -32.7 | 0 | 0 | 0 | 109 | H288 G292 | H288-P290 WeakPolarHBondContact O-CD 3.34Å; P290-G292 PolarHBondContact O-N 2.99Å |
| 291 | G | 86.8 | Confident | 86.1 | Confident | 80 Ų | 80 | 123.2 Ų | 123.2 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | | | trans | -59.8 | 130.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V289 | V289-G291 PolarHBondContact O-N 3.37Š|
| 292 | G | 84.6 | Confident | 86.3 | Confident | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 73% | 0.728 | S | S | * | * | | | trans | -118 | 136.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P290 S294 | P290-G292 PolarHBondContact O-N 2.99Å; G292-S294 PolarHBondContact O-N 3.36Å; G292-S294 VanDerWaalsContact O-N 3.16Å |
| 293 | G | 80.7 | Confident | 86.6 | Confident | 79 Ų | 79 | 128.8 Ų | 128.8 | 81% | 0.814 | 73% | 0.728 | S | S | * | * | | | trans | -64.1 | 110.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V295 | G293-V295 PolarHBondContact O-N 3Å; G293-V295 VanDerWaalsContact O-N 3.17Å |
| 294 | S | 81 | Confident | 86.7 | Confident | 128 Ų | 128 | 127 Ų | 127 | 90% | 0.895 | 73% | 0.726 | S | S | * | * | | | trans | -75.4 | 98 | 169.9 | -53 | 0 | 0 | 0 | 0 | 109.2 | G292 | G292-S294 PolarHBondContact O-N 3.36Å; G292-S294 VanDerWaalsContact O-N 3.16Å |
| 295 | V | 85 | Confident | 86.6 | Confident | 132 Ų | 132 | 124.4 Ų | 124.4 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 120.5 | 170.3 | -175.7 | 0 | 0 | 0 | 0 | 108 | G293 | G293-V295 PolarHBondContact O-N 3Å; G293-V295 VanDerWaalsContact O-N 3.17Å |
| 296 | Q | 85.4 | Confident | 86.6 | Confident | 171 Ų | 171 | 128.7 Ų | 128.7 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 127.6 | 173.4 | -169.7 | 173.3 | 23.5 | 0 | 0 | 109.3 | V298 | Q296-V298 PolarHBondContact O-N 3.36Š|
| 297 | I | 85.9 | Confident | 86.4 | Confident | 155 Ų | 155 | 128.2 Ų | 128.2 | 80% | 0.795 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 116.1 | 170.5 | -59.6 | 175.5 | 0 | 0 | 0 | 107.4 | Y299 | I297-Y299 PolarHBondContact O-N 3.5Š|
| 298 | V | 87.9 | Confident | 85.8 | Confident | 112 Ų | 112 | 124.3 Ų | 124.3 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | | | trans | -80.4 | 111.8 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | Q296 K300 | Q296-V298 PolarHBondContact O-N 3.36Å; V298-K300 HydrophobicContact CG1-CD 4.48Å; V298-K300 HydrophobicContact CG1-CG 4.08Å |
| 299 | Y | 88.9 | Confident | 85.3 | Confident | 194 Ų | 194 | 124.1 Ų | 124.1 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | | | trans | -107 | 116 | 173.8 | -177.6 | -105.8 | 0 | 0 | 0 | 109.7 | I297 P301 | I297-Y299 PolarHBondContact O-N 3.5Å; Y299-P301 HydrophobicContact CE1-CB 4.02Å; Y299-P301 HydrophobicContact CE1-CG 4.29Å |
| 300 | K | 91 | Very high | 84.9 | Confident | 171 Ų | 171 | 128.4 Ų | 128.4 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | -115.8 | 99.5 | 175.8 | -67 | -175.3 | -179.2 | -170.2 | 0 | 108.5 | V298 | V298-K300 HydrophobicContact CG1-CD 4.48Å; V298-K300 HydrophobicContact CG1-CG 4.08Å |
| 301 | P | 87.3 | Confident | 84.2 | Confident | 98 Ų | 98 | 128.1 Ų | 128.1 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 144.1 | 176.7 | 27.3 | -32.8 | 0 | 0 | 0 | 110.4 | Y299 | Y299-P301 HydrophobicContact CE1-CB 4.02Å; Y299-P301 HydrophobicContact CE1-CG 4.29Å |
| 302 | V | 87.5 | Confident | 83.3 | Confident | 125 Ų | 125 | 127.8 Ų | 127.8 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 124.7 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | L304 | V302-L304 HydrophobicContact CG1-CD2 4.41Å; V302-L304 HydrophobicContact CG1-CG 4.45Å |
| 303 | D | 88.2 | Confident | 82.5 | Confident | 125 Ų | 125 | 129.3 Ų | 129.3 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 126.7 | 175.3 | -175.1 | 19.2 | 0 | 0 | 0 | 110.9 | S305 | D303-S305 VanDerWaalsContact CG-OG 3.26Å; D303-S305 WeakPolarHBondContact OD1-CB 3.23Å; D303-S305 PolarHBondContact OD1-N 2.82Å; D303-S305 PolarHBondContact OD1-OG 2.98Å; D303-S305 WeakPolarHBondContact OD2-CB 3.22Å; D303-S305 PolarHBondContact OD2-OG 2.99Å |
| 304 | L | 88 | Confident | 81.9 | Confident | 126 Ų | 126 | 131.8 Ų | 131.8 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | | | trans | -115 | 16.7 | 176.5 | -63.4 | 170.5 | 0 | 0 | 0 | 111.6 | V302 K306 V307 | V302-L304 HydrophobicContact CG1-CD2 4.41Å; V302-L304 HydrophobicContact CG1-CG 4.45Å; L304-K306 PolarHBondContact O-N 3.28Å; L304-V307 HydrophobicContact CB-CG2 4.39Å; L304-V307 WeakPolarHBondContact O-CG2 3.19Å; L304-V307 PolarHBondContact O-N 3.27Å |
| 305 | S | 85.8 | Confident | 81.3 | Confident | 84 Ų | 84 | 129.1 Ų | 129.1 | 59% | 0.587 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.9 | -26.7 | -173.1 | 55.7 | 0 | 0 | 0 | 0 | 115.9 | D303 | D303-S305 VanDerWaalsContact CG-OG 3.26Å; D303-S305 WeakPolarHBondContact OD1-CB 3.23Å; D303-S305 PolarHBondContact OD1-N 2.82Å; D303-S305 PolarHBondContact OD1-OG 2.98Å; D303-S305 WeakPolarHBondContact OD2-CB 3.22Å; D303-S305 PolarHBondContact OD2-OG 2.99Å |
| 306 | K | 82.9 | Confident | 80.5 | Confident | 194 Ų | 194 | 129.1 Ų | 129.1 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 2 | -176.5 | -61.2 | 178.3 | -174.6 | 174.2 | 0 | 114.3 | L304 T308 | L304-K306 PolarHBondContact O-N 3.28Å; K306-T308 PolarHBondContact O-N 2.97Å |
| 307 | V | 83.4 | Confident | 79.9 | Confident | 114 Ų | 114 | 126.8 Ų | 126.8 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | | | trans | -86.9 | 104.6 | -179 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | L304 | L304-V307 HydrophobicContact CB-CG2 4.39Å; L304-V307 WeakPolarHBondContact O-CG2 3.19Å; L304-V307 PolarHBondContact O-N 3.27Å |
| 308 | T | 80 | Confident | 79.4 | Confident | 123 Ų | 123 | 127.1 Ų | 127.1 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | | | trans | -94.8 | 138.5 | 170.1 | 59.9 | 0 | 0 | 0 | 0 | 110.5 | K306 | K306-T308 PolarHBondContact O-N 2.97Š|
| 309 | S | 78.6 | Confident | 78.9 | Confident | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | | | trans | -78.2 | 139.9 | 175.2 | 59.2 | 0 | 0 | 0 | 0 | 110.4 | C311 | S309-C311 VanDerWaalsContact C-N 3.28Š|
| 310 | K | 77.5 | Confident | 78.3 | Confident | 215 Ų | 215 | 127.8 Ų | 127.8 | 94% | 0.935 | 72% | 0.715 | S | S | * | * | | | trans | -90.6 | 13.4 | 173.2 | -63.7 | -175.1 | 176.9 | 179.5 | 0 | 112.8 | G312 | K310-G312 PolarHBondContact O-N 3.07Š|
| 311 | C | 72.2 | Confident | 77.4 | Confident | 94 Ų | 94 | 124.6 Ų | 124.6 | 64% | 0.635 | 71% | 0.712 | S | S | * | * | | | trans | -82.5 | 110.6 | -172.8 | -169.2 | 0 | 0 | 0 | 0 | 110.2 | S309 S313 | S309-C311 VanDerWaalsContact C-N 3.28Å; C311-S313 PolarHBondContact O-N 3.04Å |
| 312 | G | 67.7 | Low | 77 | Confident | 74 Ų | 74 | 124 Ų | 124 | 76% | 0.763 | 72% | 0.723 | S | S | * | * | | | trans | -73.5 | 49.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K310 L314 G315 | K310-G312 PolarHBondContact O-N 3.07Å; G312-L314 PolarHBondContact O-N 3.32Å; G312-L314 VanDerWaalsContact O-N 3.13Å; G312-G315 PolarHBondContact O-N 3.39Å |
| 313 | S | 67.8 | Low | 76.3 | Confident | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -67.8 | -8.8 | -175.7 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | C311 G315 | C311-S313 PolarHBondContact O-N 3.04Å; S313-G315 VanDerWaalsContact C-N 3.29Å; S313-G315 PolarHBondContact O-N 3.31Å |
| 314 | L | 68 | Low | 75.3 | Confident | 131 Ų | 131 | 119.6 Ų | 119.6 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -84.6 | 7.8 | 179.8 | -61.6 | 178.2 | 0 | 0 | 0 | 114.3 | G312 N316 I317 | G312-L314 PolarHBondContact O-N 3.32Å; G312-L314 VanDerWaalsContact O-N 3.13Å; L314-N316 PolarHBondContact O-N 3.19Å; L314-N316 VanDerWaalsContact O-N 3.09Å; L314-I317 HydrophobicContact CB-CG2 4.38Å; L314-I317 HydrophobicContact CD2-CG2 4.26Å |
| 315 | G | 69.1 | Low | 74.3 | Confident | 72 Ų | 72 | 123.3 Ų | 123.3 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -63.3 | -14.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | G312 S313 | G312-G315 PolarHBondContact O-N 3.39Å; S313-G315 VanDerWaalsContact C-N 3.29Å; S313-G315 PolarHBondContact O-N 3.31Å |
| 316 | N | 67 | Low | 73.5 | Confident | 132 Ų | 132 | 125.2 Ų | 125.2 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -119.7 | 18.6 | -170.6 | -126.3 | 12.1 | 0 | 0 | 0 | 115 | L314 H318 H319 | L314-N316 PolarHBondContact O-N 3.19Å; L314-N316 VanDerWaalsContact O-N 3.09Å; N316-H318 PolarHBondContact O-N 2.92Å; N316-H319 PolarHBondContact O-N 2.82Å; N316-H319 VanDerWaalsContact O-N 3.14Å |
| 317 | I | 72.1 | Confident | 73.1 | Confident | 121 Ų | 121 | 123.8 Ų | 123.8 | 62% | 0.621 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -10.4 | -178.2 | 52.8 | 173.9 | 0 | 0 | 0 | 115.4 | L314 | L314-I317 HydrophobicContact CB-CG2 4.38Å; L314-I317 HydrophobicContact CD2-CG2 4.26Å |
| 318 | H | 76.4 | Confident | 72.4 | Confident | 163 Ų | 163 | 124.5 Ų | 124.5 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 10.1 | -179.8 | -57.5 | 114 | 0 | 0 | 0 | 114.2 | N316 K320 | N316-H318 PolarHBondContact O-N 2.92Å; H318-K320 PolarHBondContact O-N 3.43Å |
| 319 | H | 77 | Confident | 71.9 | Confident | 131 Ų | 131 | 127.3 Ų | 127.3 | 61% | 0.606 | 76% | 0.757 | S | S | * | * | | | trans | -69.9 | 113.2 | 174 | 179.2 | -108 | 0 | 0 | 0 | 110.8 | N316 P321 | N316-H319 PolarHBondContact O-N 2.82Å; N316-H319 VanDerWaalsContact O-N 3.14Å; H319-P321 WeakPolarHBondContact O-CD 3.28Å |
| 320 | K | 76.6 | Confident | 71.3 | Confident | 189 Ų | 189 | 126.5 Ų | 126.5 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | | | trans | -94.4 | 108.8 | 166 | -67.4 | -74.5 | -176.6 | -174.4 | 0 | 107.8 | H318 G322 | H318-K320 PolarHBondContact O-N 3.43Å; K320-G322 PolarHBondContact O-N 3.38Å |
| 321 | P | 73.1 | Confident | 71.4 | Confident | 104 Ų | 104 | 124.1 Ų | 124.1 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | trans | -65.5 | 125.2 | 176.5 | 26.1 | -32.1 | 0 | 0 | 0 | 109.9 | H319 | H319-P321 WeakPolarHBondContact O-CD 3.28Š|
| 322 | G | 77.3 | Confident | 71.1 | Confident | 84 Ų | 84 | 128 Ų | 128 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | | | trans | -88.3 | 123.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.6 | K320 | K320-G322 PolarHBondContact O-N 3.38Š|
| 323 | G | 74.3 | Confident | 71.4 | Confident | 84 Ų | 84 | 129.5 Ų | 129.5 | 87% | 0.866 | 74% | 0.74 | S | S | * | * | | | trans | 155.9 | 149.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 324 | G | 66.9 | Low | 71.5 | Confident | 75 Ų | 75 | 130.5 Ų | 130.5 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | 131.4 | 10.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117 | V326 | G324-V326 PolarHBondContact O-N 3.01Š|
| 325 | Q | 66.2 | Low | 71.8 | Confident | 204 Ų | 204 | 130 Ų | 130 | 95% | 0.953 | 73% | 0.73 | S | S | * | * | | | trans | -84.4 | 20.5 | -177.5 | -149.2 | 154.6 | 13.2 | 0 | 0 | 114.3 | | |
| 326 | V | 70.6 | Confident | 71.8 | Confident | 123 Ų | 123 | 134.9 Ų | 134.9 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -120.1 | 116.6 | 178.3 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | G324 V328 | G324-V326 PolarHBondContact O-N 3.01Å; V326-V328 PolarHBondContact O-N 2.98Å |
| 327 | E | 74.4 | Confident | 71.9 | Confident | 165 Ų | 165 | 136 Ų | 136 | 77% | 0.771 | 74% | 0.737 | S | S | * | * | | | trans | -72.1 | 110.7 | 175.8 | -170.3 | -179.9 | 179.1 | 0 | 0 | 109.7 | K329 | E327-K329 PolarHBondContact O-N 3.24Š|
| 328 | V | 67.9 | Low | 72 | Confident | 129 Ų | 129 | 141 Ų | 141 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | | | trans | -85.7 | 103.2 | 172.8 | -179 | 0 | 0 | 0 | 0 | 108.2 | V326 S330 | V326-V328 PolarHBondContact O-N 2.98Å; V328-S330 PolarHBondContact O-N 3.44Å |
| 329 | K | 68.5 | Low | 72.1 | Confident | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.787 | 74% | 0.743 | S | S | * | * | | | trans | -71.5 | 109 | 173.5 | -66.1 | -178.3 | 179.8 | -179.7 | 0 | 109.4 | E327 | E327-K329 PolarHBondContact O-N 3.24Š|
| 330 | S | 67 | Low | 72.2 | Confident | 89 Ų | 89 | 140.1 Ų | 140.1 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | | | trans | -97.3 | 108.5 | 172 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | V328 K332 | V328-S330 PolarHBondContact O-N 3.44Å; S330-K332 PolarHBondContact O-N 3.37Å |
| 331 | E | 78.5 | Confident | 72.4 | Confident | 165 Ų | 165 | 135.5 Ų | 135.5 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | | | trans | -84.6 | 95.3 | 165.5 | -171.6 | 177.1 | 170.8 | 0 | 0 | 108.3 | L333 | E331-L333 HydrophobicContact CG-CG 4.32Å; E331-L333 PolarHBondContact O-N 3Å |
| 332 | K | 66.8 | Low | 73.1 | Confident | 174 Ų | 174 | 140.6 Ų | 140.6 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | | | trans | -80.5 | 97.7 | 174.9 | -70.8 | -173 | 179.3 | -172 | 0 | 109 | S330 D334 | S330-K332 PolarHBondContact O-N 3.37Å; K332-D334 PolarHBondContact O-N 3.49Å |
| 333 | L | 73.4 | Confident | 73.2 | Confident | 107 Ų | 107 | 142.9 Ų | 142.9 | 56% | 0.56 | 75% | 0.746 | S | S | * | * | | | trans | -82.2 | 99.6 | 169.2 | -73.6 | 164.7 | 0 | 0 | 0 | 109.5 | E331 F335 | E331-L333 HydrophobicContact CG-CG 4.32Å; E331-L333 PolarHBondContact O-N 3Å; L333-F335 HydrophobicContact CB-CD2 4.06Å; L333-F335 HydrophobicContact CB-CE2 3.52Å; L333-F335 HydrophobicContact CB-CZ 4.07Å; L333-F335 HydrophobicContact CD1-CE2 4.07Å; L333-F335 HydrophobicContact CD1-CZ 4.26Å; L333-F335 HydrophobicContact CD2-CE2 4.35Å; L333-F335 HydrophobicContact CD2-CZ 4.03Å; L333-F335 HydrophobicContact CG-CE2 4.19Å; L333-F335 HydrophobicContact CG-CZ 4.35Å |
| 334 | D | 70.3 | Confident | 73.6 | Confident | 117 Ų | 117 | 141.1 Ų | 141.1 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | | | trans | -87.8 | 106.5 | 172.4 | -87.7 | -46.7 | 0 | 0 | 0 | 110.6 | K332 K336 | K332-D334 PolarHBondContact O-N 3.49Å; D334-K336 IonicContact OD1-NZ 3.6Å |
| 335 | F | 73.9 | Confident | 74.3 | Confident | 120 Ų | 120 | 142 Ų | 142 | 53% | 0.526 | 72% | 0.722 | S | S | . | * | | | trans | -101.9 | 6.2 | 178.4 | -71.2 | -66.4 | 0 | 0 | 0 | 114.2 | L333 D337 R338 V339 | L333-F335 HydrophobicContact CB-CD2 4.06Å; L333-F335 HydrophobicContact CB-CE2 3.52Å; L333-F335 HydrophobicContact CB-CZ 4.07Å; L333-F335 HydrophobicContact CD1-CE2 4.07Å; L333-F335 HydrophobicContact CD1-CZ 4.26Å; L333-F335 HydrophobicContact CD2-CE2 4.35Å; L333-F335 HydrophobicContact CD2-CZ 4.03Å; L333-F335 HydrophobicContact CG-CE2 4.19Å; L333-F335 HydrophobicContact CG-CZ 4.35Å; F335-D337 VanDerWaalsContact C-N 3.28Å; F335-D337 PolarHBondContact O-N 2.77Å; F335-D337 VanDerWaalsContact O-N 3.17Å; F335-R338 PolarHBondContact O-N 2.99Å; F335-V339 HydrophobicContact CB-CG2 3.73Å; F335-V339 HydrophobicContact CG-CG2 4.39Å; F335-V339 WeakPolarHBondContact O-CG2 2.98Å; F335-V339 PolarHBondContact O-N 2.76Å |
| 336 | K | 69.2 | Low | 75.2 | Confident | 175 Ų | 175 | 137.7 Ų | 137.7 | 76% | 0.761 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -35.9 | -169.7 | -81.7 | 162.9 | -179.5 | 158.4 | 0 | 114.5 | D334 | D334-K336 IonicContact OD1-NZ 3.6Š|
| 337 | D | 70.6 | Confident | 75.9 | Confident | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -9.6 | -175.7 | -66.7 | -22.9 | 0 | 0 | 0 | 114.3 | F335 | F335-D337 VanDerWaalsContact C-N 3.28Å; F335-D337 PolarHBondContact O-N 2.77Å; F335-D337 VanDerWaalsContact O-N 3.17Å |
| 338 | R | 72.7 | Confident | 76.3 | Confident | 224 Ų | 224 | 136.4 Ų | 136.4 | 85% | 0.845 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -11.9 | -173.9 | -65 | -171.6 | -174.8 | -139.1 | 2.3 | 114.2 | F335 Q340 | F335-R338 PolarHBondContact O-N 2.99Å; R338-Q340 PolarHBondContact O-N 3.32Å |
| 339 | V | 78.6 | Confident | 77.1 | Confident | 108 Ų | 108 | 136.3 Ų | 136.3 | 66% | 0.655 | 69% | 0.693 | S | S | * | * | | | trans | -91.1 | 106.9 | -179.2 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | F335 | F335-V339 HydrophobicContact CB-CG2 3.73Å; F335-V339 HydrophobicContact CG-CG2 4.39Å; F335-V339 WeakPolarHBondContact O-CG2 2.98Å; F335-V339 PolarHBondContact O-N 2.76Å |
| 340 | Q | 78.8 | Confident | 78 | Confident | 169 Ų | 169 | 133.3 Ų | 133.3 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | | | trans | -101.9 | 146.1 | 172 | -63.5 | -175.1 | 0.6 | 0 | 0 | 110.5 | R338 | R338-Q340 PolarHBondContact O-N 3.32Š|
| 341 | S | 81.4 | Confident | 78.9 | Confident | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | | | trans | -65.1 | 136.1 | 169.6 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | I343 | S341-I343 VanDerWaalsContact C-N 3.28Å; S341-I343 PolarHBondContact OG-N 3.26Å; S341-I343 VanDerWaalsContact OG-N 3.16Å |
| 342 | K | 87.5 | Confident | 79.1 | Confident | 212 Ų | 212 | 133.9 Ų | 133.9 | 92% | 0.922 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -87.4 | 5.7 | 173.6 | -63.1 | -177.4 | 178.9 | 179.7 | 0 | 113 | | |
| 343 | I | 79.9 | Confident | 79.6 | Confident | 132 Ų | 132 | 130.3 Ų | 130.3 | 68% | 0.677 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -103.9 | 119.5 | -178 | -56.7 | 175.6 | 0 | 0 | 0 | 109 | S341 S345 | S341-I343 VanDerWaalsContact C-N 3.28Å; S341-I343 PolarHBondContact OG-N 3.26Å; S341-I343 VanDerWaalsContact OG-N 3.16Å; I343-S345 PolarHBondContact O-N 3.18Å |
| 344 | G | 82.8 | Confident | 80 | Confident | 46 Ų | 46 | 128.4 Ų | 128.4 | 47% | 0.474 | 69% | 0.691 | S | S | . | * | | | trans | -69.2 | 59.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L346 D347 | G344-L346 PolarHBondContact O-N 2.99Å; G344-D347 VanDerWaalsContact CA-OD1 3.24Å; G344-D347 WeakPolarHBondContact CA-OD1 3.39Å; G344-D347 WeakPolarHBondContact CA-OD2 3.42Å |
| 345 | S | 82.3 | Confident | 80.5 | Confident | 95 Ų | 95 | 125.9 Ų | 125.9 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -18 | -174.9 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | I343 | I343-S345 PolarHBondContact O-N 3.18Š|
| 346 | L | 83.8 | Confident | 80.3 | Confident | 112 Ų | 112 | 124 Ų | 124 | 59% | 0.586 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | 13 | -174.7 | -60.8 | -177.5 | 0 | 0 | 0 | 113.2 | G344 N348 I349 | G344-L346 PolarHBondContact O-N 2.99Å; L346-N348 PolarHBondContact O-N 3.43Å; L346-I349 HydrophobicContact CB-CB 4.38Å; L346-I349 HydrophobicContact CB-CG2 4.46Å; L346-I349 HydrophobicContact CD2-CD1 4.27Å; L346-I349 WeakPolarHBondContact O-CB 3.42Å; L346-I349 WeakPolarHBondContact O-CG2 3.44Å; L346-I349 PolarHBondContact O-N 3.2Å |
| 347 | D | 86.3 | Confident | 80.3 | Confident | 124 Ų | 124 | 122.5 Ų | 122.5 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -25.3 | -174.9 | -61.9 | -3.8 | 0 | 0 | 0 | 112.6 | G344 | G344-D347 VanDerWaalsContact CA-OD1 3.24Å; G344-D347 WeakPolarHBondContact CA-OD1 3.39Å; G344-D347 WeakPolarHBondContact CA-OD2 3.42Å |
| 348 | N | 82.2 | Confident | 80.4 | Confident | 138 Ų | 138 | 124.5 Ų | 124.5 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 9 | 179.4 | -65 | -41.3 | 0 | 0 | 0 | 114.5 | L346 T350 H351 | L346-N348 PolarHBondContact O-N 3.43Å; N348-T350 PolarHBondContact O-N 3.48Å; N348-T350 VanDerWaalsContact O-N 3.15Å; N348-H351 VanDerWaalsContact O-CB 3.3Å; N348-H351 WeakPolarHBondContact O-CB 3.43Å; N348-H351 PolarHBondContact O-N 3.06Å |
| 349 | I | 85.1 | Confident | 80.5 | Confident | 126 Ų | 126 | 122.9 Ų | 122.9 | 65% | 0.646 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -24.6 | -174.4 | -162.1 | 173.8 | 0 | 0 | 0 | 113.2 | L346 H351 | L346-I349 HydrophobicContact CB-CB 4.38Å; L346-I349 HydrophobicContact CB-CG2 4.46Å; L346-I349 HydrophobicContact CD2-CD1 4.27Å; L346-I349 WeakPolarHBondContact O-CB 3.42Å; L346-I349 WeakPolarHBondContact O-CG2 3.44Å; L346-I349 PolarHBondContact O-N 3.2Å; I349-H351 VanDerWaalsContact C-N 3.3Å |
| 350 | T | 86.6 | Confident | 80.4 | Confident | 119 Ų | 119 | 125.2 Ų | 125.2 | 73% | 0.73 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -1.4 | 178.8 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | N348 V352 | N348-T350 PolarHBondContact O-N 3.48Å; N348-T350 VanDerWaalsContact O-N 3.15Å; T350-V352 PolarHBondContact O-N 3.22Å; T350-V352 VanDerWaalsContact O-N 3.08Å |
| 351 | H | 85.6 | Confident | 80.1 | Confident | 144 Ų | 144 | 124 Ų | 124 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | | | trans | -70.5 | 105.5 | 175.1 | 177.9 | -93.8 | 0 | 0 | 0 | 110.5 | N348 I349 | N348-H351 VanDerWaalsContact O-CB 3.3Å; N348-H351 WeakPolarHBondContact O-CB 3.43Å; N348-H351 PolarHBondContact O-N 3.06Å; I349-H351 VanDerWaalsContact C-N 3.3Å |
| 352 | V | 82.7 | Confident | 79.4 | Confident | 121 Ų | 121 | 125.6 Ų | 125.6 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | | | trans | -86.8 | 122.1 | 169.9 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | T350 G354 | T350-V352 PolarHBondContact O-N 3.22Å; T350-V352 VanDerWaalsContact O-N 3.08Å; V352-G354 PolarHBondContact O-N 3.43Å |
| 353 | P | 78.5 | Confident | 78.5 | Confident | 100 Ų | 100 | 122.6 Ų | 122.6 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | | | trans | -63.5 | 112.2 | 179.4 | 24.8 | -32.2 | 0 | 0 | 0 | 110 | G355 | P353-G355 PolarHBondContact O-N 3.35Å; P353-G355 VanDerWaalsContact O-N 3.11Å |
| 354 | G | 81.5 | Confident | 77.9 | Confident | 67 Ų | 67 | 125 Ų | 125 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | | | trans | -74.2 | 11.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | V352 | V352-G354 PolarHBondContact O-N 3.43Š|
| 355 | G | 80.6 | Confident | 77.1 | Confident | 63 Ų | 63 | 128.7 Ų | 128.7 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 148.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | P353 | P353-G355 PolarHBondContact O-N 3.35Å; P353-G355 VanDerWaalsContact O-N 3.11Å |
| 356 | G | 70.4 | Confident | 76.1 | Confident | 81 Ų | 81 | 130.1 Ų | 130.1 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.5 | -13.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 357 | N | 68.6 | Low | 75.1 | Confident | 143 Ų | 143 | 131.2 Ų | 131.2 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | | | trans | -90.4 | -15.8 | -176 | -59.4 | -17.9 | 0 | 0 | 0 | 113.9 | K359 | N357-K359 PolarHBondContact O-N 3.03Š|
| 358 | K | 72.8 | Confident | 74 | Confident | 200 Ų | 200 | 137.3 Ų | 137.3 | 87% | 0.87 | 74% | 0.737 | S | S | * | * | | | trans | -87.1 | 97.4 | 174.1 | -73.4 | -174.1 | -169.6 | -176.4 | 0 | 109.5 | I360 | K358-I360 PolarHBondContact O-N 3.19Š|
| 359 | K | 75.4 | Confident | 73.1 | Confident | 190 Ų | 190 | 139.6 Ų | 139.6 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | | | trans | -73.3 | 117.8 | 168.7 | -164.5 | 175.6 | -175.5 | -177.8 | 0 | 108.3 | N357 E361 | N357-K359 PolarHBondContact O-N 3.03Å; K359-E361 PolarHBondContact O-N 3.11Å; K359-E361 VanDerWaalsContact O-N 3.13Å |
| 360 | I | 75.6 | Confident | 71.8 | Confident | 156 Ų | 156 | 140.9 Ų | 140.9 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | | | trans | -70.9 | 107.3 | 172.9 | -61.6 | 172.4 | 0 | 0 | 0 | 107.1 | K358 T362 | K358-I360 PolarHBondContact O-N 3.19Å; I360-T362 PolarHBondContact O-N 3.16Å |
| 361 | E | 72.3 | Confident | 70.6 | Confident | 143 Ų | 143 | 139 Ų | 139 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | | | trans | -76.2 | 117.7 | 174.4 | -71 | -174.4 | 162.3 | 0 | 0 | 109.9 | K359 H363 | K359-E361 PolarHBondContact O-N 3.11Å; K359-E361 VanDerWaalsContact O-N 3.13Å; E361-H363 PolarHBondContact O-N 2.86Å; E361-H363 VanDerWaalsContact O-N 3.13Å |
| 362 | T | 65.9 | Low | 69.6 | Low | 125 Ų | 125 | 141.3 Ų | 141.3 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | | | trans | -83.8 | 87.4 | 177.3 | -32.8 | 0 | 0 | 0 | 0 | 109.7 | I360 K364 | I360-T362 PolarHBondContact O-N 3.16Å; T362-K364 PolarHBondContact O-N 2.96Å |
| 363 | H | 69.8 | Low | 68.9 | Low | 149 Ų | 149 | 139.9 Ų | 139.9 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | | | trans | -83.2 | 86.9 | 166.2 | -74.4 | 163.9 | 0 | 0 | 0 | 110 | E361 L365 | E361-H363 PolarHBondContact O-N 2.86Å; E361-H363 VanDerWaalsContact O-N 3.13Å; H363-L365 PolarHBondContact O-N 3.18Å; H363-L365 VanDerWaalsContact O-N 3.11Å |
| 364 | K | 66.5 | Low | 68.4 | Low | 184 Ų | 184 | 145.1 Ų | 145.1 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | | | trans | -75.3 | 96.4 | 171.3 | -161.9 | 178.6 | -177.5 | -178.6 | 0 | 108.4 | T362 T366 | T362-K364 PolarHBondContact O-N 2.96Å; K364-T366 PolarHBondContact O-N 3.01Å |
| 365 | L | 66.1 | Low | 67.8 | Low | 122 Ų | 122 | 147.6 Ų | 147.6 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | | | trans | -70.3 | 111.1 | 178.7 | -68.8 | 144.1 | 0 | 0 | 0 | 110.4 | H363 F367 | H363-L365 PolarHBondContact O-N 3.18Å; H363-L365 VanDerWaalsContact O-N 3.11Å; L365-F367 HydrophobicContact CB-CD1 4.43Å; L365-F367 HydrophobicContact CB-CD2 3.62Å; L365-F367 HydrophobicContact CB-CE1 3.97Å; L365-F367 HydrophobicContact CB-CE2 3.09Å; L365-F367 HydrophobicContact CB-CG 4.3Å; L365-F367 HydrophobicContact CB-CZ 3.31Å; L365-F367 HydrophobicContact CD1-CE2 3.71Å; L365-F367 HydrophobicContact CD1-CZ 3.58Å; L365-F367 HydrophobicContact CD2-CE1 3.84Å; L365-F367 HydrophobicContact CD2-CE2 4.21Å; L365-F367 HydrophobicContact CD2-CZ 3.49Å; L365-F367 VanDerWaalsContact CD2-CZ 3.49Å; L365-F367 HydrophobicContact CG-CE1 4.35Å; L365-F367 HydrophobicContact CG-CE2 3.81Å; L365-F367 HydrophobicContact CG-CZ 3.61Å; L365-F367 PolarHBondContact O-N 3.13Å |
| 366 | T | 62.5 | Low | 67.2 | Low | 126 Ų | 126 | 151 Ų | 151 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -85.6 | 79.5 | 175.7 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | K364 R368 | K364-T366 PolarHBondContact O-N 3.01Å; T366-R368 VanDerWaalsContact C-N 3.31Å; T366-R368 PolarHBondContact O-N 3.04Å |
| 367 | F | 62.6 | Low | 66.7 | Low | 134 Ų | 134 | 153.7 Ų | 153.7 | 59% | 0.588 | 77% | 0.765 | S | S | * | * | | | trans | -83.9 | 1.8 | 179.6 | -58.8 | -66.1 | 0 | 0 | 0 | 114.7 | L365 A371 | L365-F367 HydrophobicContact CB-CD1 4.43Å; L365-F367 HydrophobicContact CB-CD2 3.62Å; L365-F367 HydrophobicContact CB-CE1 3.97Å; L365-F367 HydrophobicContact CB-CE2 3.09Å; L365-F367 HydrophobicContact CB-CG 4.3Å; L365-F367 HydrophobicContact CB-CZ 3.31Å; L365-F367 HydrophobicContact CD1-CE2 3.71Å; L365-F367 HydrophobicContact CD1-CZ 3.58Å; L365-F367 HydrophobicContact CD2-CE1 3.84Å; L365-F367 HydrophobicContact CD2-CE2 4.21Å; L365-F367 HydrophobicContact CD2-CZ 3.49Å; L365-F367 VanDerWaalsContact CD2-CZ 3.49Å; L365-F367 HydrophobicContact CG-CE1 4.35Å; L365-F367 HydrophobicContact CG-CE2 3.81Å; L365-F367 HydrophobicContact CG-CZ 3.61Å; L365-F367 PolarHBondContact O-N 3.13Å; F367-A371 WeakPolarHBondContact O-CB 3.3Å |
| 368 | R | 63.8 | Low | 66.4 | Low | 253 Ų | 253 | 150.6 Ų | 150.6 | 96% | 0.955 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -18.7 | -167.7 | -73.6 | -179.8 | 84 | 140.2 | -0.5 | 115.6 | T366 | T366-R368 VanDerWaalsContact C-N 3.31Å; T366-R368 PolarHBondContact O-N 3.04Å |
| 369 | E | 61.6 | Low | 66.1 | Low | 186 Ų | 186 | 144.4 Ų | 144.4 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -27.8 | -174 | -160.9 | 168.9 | -170.5 | 0 | 0 | 114.3 | | |
| 370 | N | 58.9 | Low | 65.8 | Low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -4.9 | -177.2 | -73.3 | -24.7 | 0 | 0 | 0 | 114.8 | K372 | N370-K372 PolarHBondContact O-N 3.35Š|
| 371 | A | 61 | Low | 65.3 | Low | 79 Ų | 79 | 142.7 Ų | 142.7 | 65% | 0.653 | 75% | 0.747 | S | S | * | * | | | trans | -78.5 | 91.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F367 A373 | F367-A371 WeakPolarHBondContact O-CB 3.3Å; A371-A373 PolarHBondContact O-N 3.11Å |
| 372 | K | 64.6 | Low | 65.2 | Low | 193 Ų | 193 | 141.2 Ų | 141.2 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | | | trans | -71.7 | 124 | 163.4 | -85.9 | -173.4 | 175.5 | -171.3 | 0 | 108.9 | N370 K374 | N370-K372 PolarHBondContact O-N 3.35Å; K372-K374 PolarHBondContact O-N 3.43Å |
| 373 | A | 68 | Low | 64.9 | Low | 90 Ų | 90 | 144.8 Ų | 144.8 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | | | trans | -56.9 | 109.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | A371 | A371-A373 PolarHBondContact O-N 3.11Š|
| 374 | K | 68.3 | Low | 64.7 | Low | 211 Ų | 211 | 146.7 Ų | 146.7 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | | | trans | -95.4 | 75.7 | 162.8 | -82.2 | -177.3 | 171.6 | -179.9 | 0 | 106.9 | K372 | K372-K374 PolarHBondContact O-N 3.43Š|
| 375 | T | 68.7 | Low | 64.1 | Low | 119 Ų | 119 | 141.8 Ų | 141.8 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | | | trans | -91.6 | 99.5 | 166.7 | -4.7 | 0 | 0 | 0 | 0 | 106.1 | | |
| 376 | D | 66.9 | Low | 63.6 | Low | 135 Ų | 135 | 141.8 Ų | 141.8 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | -82 | 118 | 155 | -169.9 | 12 | 0 | 0 | 0 | 105.7 | G378 | D376-G378 PolarHBondContact O-N 3.41Š|
| 377 | H | 61.4 | Low | 62.6 | Low | 136 Ų | 136 | 142 Ų | 142 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | | | trans | -59.4 | 81.7 | 159.6 | 13.1 | 42.5 | 0 | 0 | 0 | 106.8 | A379 I381 | H377-A379 PolarHBondContact O-N 3.13Å; H377-I381 HydrophobicContact CB-CD1 4.39Å |
| 378 | G | 62.4 | Low | 62.1 | Low | 79 Ų | 79 | 141.5 Ų | 141.5 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | | | trans | -66.9 | 25.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D376 | D376-G378 PolarHBondContact O-N 3.41Š|
| 379 | A | 66.2 | Low | 61.2 | Low | 70 Ų | 70 | 134.7 Ų | 134.7 | 58% | 0.579 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -122.3 | 126.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | H377 I381 | H377-A379 PolarHBondContact O-N 3.13Å; A379-I381 PolarHBondContact O-N 3.18Å |
| 380 | E | 68 | Low | 60.2 | Low | 183 Ų | 183 | 128.7 Ų | 128.7 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | | | trans | -56 | 111.2 | 168.9 | -78.4 | -172.4 | 153.1 | 0 | 0 | 109.2 | V382 | E380-V382 VanDerWaalsContact C-N 3.32Å; E380-V382 HydrophobicContact CB-CG2 4.47Å; E380-V382 PolarHBondContact O-N 3.38Å |
| 381 | I | 66.3 | Low | 59.3 | Low | 126 Ų | 126 | 129.3 Ų | 129.3 | 65% | 0.646 | 74% | 0.742 | S | S | * | * | | | trans | -79.2 | 88.8 | 172.7 | -50.3 | 177.2 | 0 | 0 | 0 | 107.1 | H377 A379 Y383 | H377-I381 HydrophobicContact CB-CD1 4.39Å; A379-I381 PolarHBondContact O-N 3.18Å; I381-Y383 PolarHBondContact O-N 3.26Å |
| 382 | V | 69.4 | Low | 58.5 | Low | 113 Ų | 113 | 131.7 Ų | 131.7 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | | | trans | -69.8 | 95.4 | 173.3 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | E380 K384 | E380-V382 VanDerWaalsContact C-N 3.32Å; E380-V382 HydrophobicContact CB-CG2 4.47Å; E380-V382 PolarHBondContact O-N 3.38Å; V382-K384 PolarHBondContact O-N 3.31Å; V382-K384 VanDerWaalsContact O-N 3.07Å |
| 383 | Y | 59.3 | Low | 57.4 | Low | 200 Ų | 200 | 128.2 Ų | 128.2 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | | | trans | -79.1 | 86.8 | 173.6 | -159.8 | -94.4 | 0 | 0 | 0 | 109.9 | I381 S385 | I381-Y383 PolarHBondContact O-N 3.26Å; Y383-S385 PolarHBondContact O-N 3.17Å |
| 384 | K | 66.1 | Low | 56.9 | Low | 189 Ų | 189 | 129.7 Ų | 129.7 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -79.8 | 95.5 | 164.5 | -104.9 | -166.5 | 166.5 | -163.1 | 0 | 108.5 | V382 P386 | V382-K384 PolarHBondContact O-N 3.31Å; V382-K384 VanDerWaalsContact O-N 3.07Å; K384-P386 VanDerWaalsContact O-CD 3.3Å; K384-P386 WeakPolarHBondContact O-CD 3.22Å |
| 385 | S | 53.2 | Low | 56.3 | Low | 81 Ų | 81 | 130.4 Ų | 130.4 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122 | 171 | 54.9 | 0 | 0 | 0 | 0 | 110.4 | Y383 V387 | Y383-S385 PolarHBondContact O-N 3.17Å; S385-V387 PolarHBondContact O-N 3.16Å |
| 386 | P | 56.7 | Low | 55.1 | Low | 122 Ų | 122 | 133.6 Ų | 133.6 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 116.9 | 164.6 | -12.9 | 29.2 | 0 | 0 | 0 | 108 | K384 | K384-P386 VanDerWaalsContact O-CD 3.3Å; K384-P386 WeakPolarHBondContact O-CD 3.22Å |
| 387 | V | 41.8 | Very low | 54.6 | Low | 131 Ų | 131 | 134.9 Ų | 134.9 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 145.2 | 166.1 | -170.4 | 0 | 0 | 0 | 0 | 107.9 | S385 | S385-V387 PolarHBondContact O-N 3.16Š|
| 388 | V | 50.6 | Low | 54 | Low | 122 Ų | 122 | 132.2 Ų | 132.2 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | | | trans | 126.7 | 98 | 160.5 | -179.1 | 0 | 0 | 0 | 0 | 113 | | |
| 389 | S | 45.5 | Very low | 53.2 | Low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | 70.2 | 112.7 | 132.7 | -53 | 0 | 0 | 0 | 0 | 121.5 | | |
| 390 | G | 41.9 | Very low | 52.6 | Low | 60 Ų | 60 | 138.6 Ų | 138.6 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | | | | 78.3 | 97.6 | 111.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 391 | D | 38.4 | Very low | 51.5 | Low | 165 Ų | 165 | 135.2 Ų | 135.2 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | | | trans | 64.4 | 54 | 132.2 | -44.7 | -14.8 | 0 | 0 | 0 | 118.8 | | |
| 392 | T | 45.8 | Very low | 50.8 | Low | 130 Ų | 130 | 135.1 Ų | 135.1 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | | | trans | -148.3 | 133.5 | 146.9 | 70.7 | 0 | 0 | 0 | 0 | 111.1 | P394 | T392-P394 VanDerWaalsContact O-CD 3.26Å; T392-P394 WeakPolarHBondContact O-CD 3.36Å |
| 393 | S | 40.6 | Very low | 49.8 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 118.4 | -179 | -166.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 394 | P | 58.4 | Low | 49.6 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -91 | 130.7 | 177.7 | -7.4 | 27.8 | 0 | 0 | 0 | 111.6 | T392 | T392-P394 VanDerWaalsContact O-CD 3.26Å; T392-P394 WeakPolarHBondContact O-CD 3.36Å |
| 395 | R | 54.1 | Low | 49 | Very low | 225 Ų | 225 | 125.7 Ų | 125.7 | 85% | 0.849 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 138.2 | -174.9 | -60.7 | -177.5 | -178.3 | 164.1 | 0 | 113 | L397 | R395-L397 PolarHBondContact O-N 3.11Š|
| 396 | H | 45.2 | Very low | 48.9 | Very low | 187 Ų | 187 | 128.9 Ų | 128.9 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | trans | 4.9 | 90.9 | 147.4 | -147.9 | -100.7 | 0 | 0 | 0 | 116 | | |
| 397 | L | 54.9 | Low | 48.7 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | -89.6 | 111.3 | 175.6 | -67.6 | 177.6 | 0 | 0 | 0 | 111.2 | R395 | R395-L397 PolarHBondContact O-N 3.11Š|
| 398 | S | 49 | Very low | 49.2 | Very low | 80 Ų | 80 | 130.6 Ų | 130.6 | 56% | 0.559 | 78% | 0.778 | S | S | * | * | | | trans | 54.9 | 103.4 | 139.6 | 60.9 | 0 | 0 | 0 | 0 | 119.5 | V400 | S398-V400 VanDerWaalsContact C-N 3.3Å; S398-V400 PolarHBondContact O-N 3.44Å |
| 399 | N | 46.9 | Very low | 49.4 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | | | trans | -64.7 | 87.7 | 151.9 | -71.7 | -11.7 | 0 | 0 | 0 | 109.3 | | |
| 400 | V | 51.8 | Low | 49.9 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | -97.6 | 85.2 | 162.6 | -74.5 | 0 | 0 | 0 | 0 | 107.8 | S398 | S398-V400 VanDerWaalsContact C-N 3.3Å; S398-V400 PolarHBondContact O-N 3.44Å |
| 401 | S | 45.3 | Very low | 50.8 | Low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | -107.4 | 113 | 165.2 | -79.5 | 0 | 0 | 0 | 0 | 108.3 | T403 | S401-T403 PolarHBondContact O-N 3.02Š|
| 402 | S | 51.6 | Low | 52.3 | Low | 125 Ų | 125 | 130.1 Ų | 130.1 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | | | trans | -64.5 | 119.9 | -177.4 | -39.2 | 0 | 0 | 0 | 0 | 110.8 | G404 | S402-G404 PolarHBondContact O-N 3.4Š|
| 403 | T | 48.1 | Very low | 53.6 | Low | 137 Ų | 137 | 130.9 Ų | 130.9 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | trans | -77.2 | 106.3 | 178.8 | 44.1 | 0 | 0 | 0 | 0 | 110.8 | S401 | S401-T403 PolarHBondContact O-N 3.02Š|
| 404 | G | 55.2 | Low | 54.9 | Low | 85 Ų | 85 | 131.1 Ų | 131.1 | 88% | 0.876 | 75% | 0.75 | S | S | * | * | | | trans | -90 | 84.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | S402 | S402-G404 PolarHBondContact O-N 3.4Š|
| 405 | S | 53.7 | Low | 55.4 | Low | 82 Ų | 82 | 128.1 Ų | 128.1 | 57% | 0.573 | 74% | 0.735 | S | S | * | * | | | trans | -135.7 | 125.7 | 158.2 | 96.1 | 0 | 0 | 0 | 0 | 109.3 | D407 | S405-D407 VanDerWaalsContact C-N 3.31Å; S405-D407 PolarHBondContact O-N 3Å; S405-D407 PolarHBondContact OG-OD2 3.03Å |
| 406 | I | 52.3 | Low | 56.6 | Low | 147 Ų | 147 | 121.5 Ų | 121.5 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | | | trans | -79.3 | 80.4 | 174.6 | -179.1 | 84.5 | 0 | 0 | 0 | 106.9 | M408 | I406-M408 HydrophobicContact CD1-CG 3.77Å; I406-M408 HydrophobicContact CD1-SD 3.98Å; I406-M408 HydrophobicContact CG1-CG 3.99Å; I406-M408 HydrophobicContact CG1-SD 4.26Å |
| 407 | D | 51.7 | Low | 58.4 | Low | 127 Ų | 127 | 117.1 Ų | 117.1 | 68% | 0.679 | 70% | 0.702 | S | S | * | * | | | trans | -103.4 | 86.6 | 165.7 | -77.4 | -67.9 | 0 | 0 | 0 | 107.8 | S405 V409 | S405-D407 VanDerWaalsContact C-N 3.31Å; S405-D407 PolarHBondContact O-N 3Å; S405-D407 PolarHBondContact OG-OD2 3.03Å; D407-V409 PolarHBondContact O-N 3.15Å |
| 408 | M | 53 | Low | 59.7 | Low | 162 Ų | 162 | 112 Ų | 112 | 80% | 0.798 | 68% | 0.683 | S | S | * | * | | | trans | -75.1 | 58.1 | 177.4 | -75.1 | 178.3 | 53.3 | 0 | 0 | 111.7 | I406 | I406-M408 HydrophobicContact CD1-CG 3.77Å; I406-M408 HydrophobicContact CD1-SD 3.98Å; I406-M408 HydrophobicContact CG1-CG 3.99Å; I406-M408 HydrophobicContact CG1-SD 4.26Å |
| 409 | V | 55.3 | Low | 61.4 | Low | 120 Ų | 120 | 114 Ų | 114 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -131.9 | 110.8 | 171.5 | -73.1 | 0 | 0 | 0 | 0 | 109.3 | D407 | D407-V409 PolarHBondContact O-N 3.15Š|
| 410 | D | 55 | Low | 63.3 | Low | 155 Ų | 155 | 112.8 Ų | 112.8 | 83% | 0.829 | 68% | 0.677 | S | S | * | * | | | trans | 79 | 53.8 | 149.8 | -137.6 | 16.2 | 0 | 0 | 0 | 117 | P412 | D410-P412 WeakPolarHBondContact O-CD 3.5Š|
| 411 | S | 61.5 | Low | 64.9 | Low | 81 Ų | 81 | 111.5 Ų | 111.5 | 57% | 0.566 | 67% | 0.669 | S | S | * | * | | | trans | -88.1 | 112.2 | 159.3 | -122.9 | 0 | 0 | 0 | 0 | 109.3 | Q413 L414 | S411-Q413 PolarHBondContact O-N 3.04Å; S411-L414 PolarHBondContact O-N 3.35Å; S411-L414 VanDerWaalsContact O-N 3.12Å |
| 412 | P | 69.3 | Low | 66.8 | Low | 92 Ų | 92 | 109.7 Ų | 109.7 | 60% | 0.597 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -61.3 | -18.7 | -170.5 | 22.9 | -33.9 | 0 | 0 | 0 | 113.6 | D410 A415 T416 | D410-P412 WeakPolarHBondContact O-CD 3.5Å; P412-A415 PolarHBondContact O-N 2.96Å; P412-T416 PolarHBondContact O-N 3.39Å; P412-T416 PolarHBondContact O-OG1 3.08Å |
| 413 | Q | 72.2 | Confident | 68.5 | Low | 146 Ų | 146 | 106.2 Ų | 106.2 | 68% | 0.682 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.4 | -32.6 | 179.6 | -64.7 | -174.8 | -27.7 | 0 | 0 | 113.4 | S411 T416 L417 | S411-Q413 PolarHBondContact O-N 3.04Å; Q413-T416 WeakPolarHBondContact CA-OG1 3.24Å; Q413-T416 PolarHBondContact O-OG1 3.04Å; Q413-L417 PolarHBondContact O-N 3.47Å |
| 414 | L | 67.9 | Low | 70.4 | Confident | 126 Ų | 126 | 103 Ų | 103 | 66% | 0.66 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.6 | -31.7 | 175.8 | -68.5 | 179.5 | 0 | 0 | 0 | 111.5 | S411 L417 A418 | S411-L414 PolarHBondContact O-N 3.35Å; S411-L414 VanDerWaalsContact O-N 3.12Å; L414-L417 HydrophobicContact CD2-CD1 4.37Å; L414-L417 PolarHBondContact O-N 2.81Å; L414-A418 PolarHBondContact O-N 3.16Å |
| 415 | A | 69.9 | Low | 71.8 | Confident | 57 Ų | 57 | 104.7 Ų | 104.7 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.9 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P412 L417 A418 D419 | P412-A415 PolarHBondContact O-N 2.96Å; A415-L417 VanDerWaalsContact C-N 3.34Å; A415-L417 PolarHBondContact O-N 2.72Å; A415-A418 PolarHBondContact O-N 3.18Å; A415-D419 PolarHBondContact O-N 2.88Å; A415-D419 VanDerWaalsContact O-N 3.09Å |
| 416 | T | 79.2 | Confident | 73.1 | Confident | 87 Ų | 87 | 104.7 Ų | 104.7 | 53% | 0.534 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63 | -37.4 | 175 | 38.3 | 0 | 0 | 0 | 0 | 113.2 | P412 Q413 E420 | P412-T416 PolarHBondContact O-N 3.39Å; P412-T416 PolarHBondContact O-OG1 3.08Å; Q413-T416 WeakPolarHBondContact CA-OG1 3.24Å; Q413-T416 PolarHBondContact O-OG1 3.04Å; T416-E420 PolarHBondContact O-N 3.17Å |
| 417 | L | 83.1 | Confident | 74.4 | Confident | 94 Ų | 94 | 106.5 Ų | 106.5 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.9 | -39.7 | 176 | -85.7 | 158.5 | 0 | 0 | 0 | 111.9 | Q413 L414 A415 E420 V421 | Q413-L417 PolarHBondContact O-N 3.47Å; L414-L417 HydrophobicContact CD2-CD1 4.37Å; L414-L417 PolarHBondContact O-N 2.81Å; A415-L417 VanDerWaalsContact C-N 3.34Å; A415-L417 PolarHBondContact O-N 2.72Å; L417-E420 PolarHBondContact O-N 3.35Å; L417-V421 VanDerWaalsContact O-CG2 3.26Å; L417-V421 WeakPolarHBondContact O-CG2 3.49Å; L417-V421 PolarHBondContact O-N 3.28Å |
| 418 | A | 82.2 | Confident | 75.4 | Confident | 55 Ų | 55 | 108.2 Ų | 108.2 | 46% | 0.455 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.8 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L414 A415 S422 | L414-A418 PolarHBondContact O-N 3.16Å; A415-A418 PolarHBondContact O-N 3.18Å; A418-S422 WeakPolarHBondContact O-CB 3.49Å; A418-S422 PolarHBondContact O-N 3.49Å; A418-S422 PolarHBondContact O-OG 3.09Å |
| 419 | D | 84.5 | Confident | 76 | Confident | 122 Ų | 122 | 103.7 Ų | 103.7 | 65% | 0.652 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.7 | -41.3 | 173.9 | -91 | -13.5 | 0 | 0 | 0 | 112.1 | A415 S422 A423 | A415-D419 PolarHBondContact O-N 2.88Å; A415-D419 VanDerWaalsContact O-N 3.09Å; D419-S422 PolarHBondContact O-N 3.38Å; D419-A423 VanDerWaalsContact O-CB 3.25Å; D419-A423 WeakPolarHBondContact O-CB 3.12Å; D419-A423 PolarHBondContact O-N 2.88Å |
| 420 | E | 86.4 | Confident | 75.7 | Confident | 133 Ų | 133 | 109.5 Ų | 109.5 | 62% | 0.621 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.9 | -41.9 | 175.8 | -103.4 | -173.1 | 153.4 | 0 | 0 | 112.7 | T416 L417 S424 | T416-E420 PolarHBondContact O-N 3.17Å; L417-E420 PolarHBondContact O-N 3.35Å; E420-S424 WeakPolarHBondContact O-CB 3.46Å; E420-S424 PolarHBondContact O-N 2.94Å; E420-S424 PolarHBondContact O-OG 3.14Å |
| 421 | V | 85.7 | Confident | 76.8 | Confident | 97 Ų | 97 | 107.2 Ų | 107.2 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66 | -44.3 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | L417 S424 L425 | L417-V421 VanDerWaalsContact O-CG2 3.26Å; L417-V421 WeakPolarHBondContact O-CG2 3.49Å; L417-V421 PolarHBondContact O-N 3.28Å; V421-S424 PolarHBondContact O-N 3.13Å; V421-L425 PolarHBondContact O-N 3.41Å |
| 422 | S | 86.2 | Confident | 77.6 | Confident | 73 Ų | 73 | 108.6 Ų | 108.6 | 51% | 0.51 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.3 | -42.4 | 177.1 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | A418 D419 S424 L425 A426 | A418-S422 WeakPolarHBondContact O-CB 3.49Å; A418-S422 PolarHBondContact O-N 3.49Å; A418-S422 PolarHBondContact O-OG 3.09Å; D419-S422 PolarHBondContact O-N 3.38Å; S422-S424 VanDerWaalsContact C-N 3.34Å; S422-S424 PolarHBondContact O-N 3.35Å; S422-L425 PolarHBondContact O-N 3.35Å; S422-A426 PolarHBondContact O-N 3.22Å |
| 423 | A | 86.6 | Confident | 78 | Confident | 52 Ų | 52 | 109.5 Ų | 109.5 | 43% | 0.43 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -66.9 | -34.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D419 K427 | D419-A423 VanDerWaalsContact O-CB 3.25Å; D419-A423 WeakPolarHBondContact O-CB 3.12Å; D419-A423 PolarHBondContact O-N 2.88Å; A423-K427 WeakPolarHBondContact O-CG 3.42Å; A423-K427 PolarHBondContact O-N 3.21Å |
| 424 | S | 87.9 | Confident | 78.4 | Confident | 71 Ų | 71 | 107.4 Ų | 107.4 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.9 | -39 | 175.5 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | E420 V421 S422 K427 Q428 | E420-S424 WeakPolarHBondContact O-CB 3.46Å; E420-S424 PolarHBondContact O-N 2.94Å; E420-S424 PolarHBondContact O-OG 3.14Å; V421-S424 PolarHBondContact O-N 3.13Å; S422-S424 VanDerWaalsContact C-N 3.34Å; S422-S424 PolarHBondContact O-N 3.35Å; S424-K427 PolarHBondContact O-N 3.4Å; S424-Q428 PolarHBondContact O-N 3.33Å |
| 425 | L | 83.4 | Confident | 79 | Confident | 119 Ų | 119 | 106.2 Ų | 106.2 | 62% | 0.623 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.7 | -40.6 | 177.1 | -152.4 | 72.7 | 0 | 0 | 0 | 111.6 | V421 S422 K427 Q428 | V421-L425 PolarHBondContact O-N 3.41Å; S422-L425 PolarHBondContact O-N 3.35Å; L425-K427 VanDerWaalsContact C-N 3.25Å; L425-K427 PolarHBondContact O-N 3.19Å; L425-Q428 PolarHBondContact O-N 3.28Å |
| 426 | A | 81.8 | Confident | 79.6 | Confident | 82 Ų | 82 | 109.5 Ų | 109.5 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -62.7 | -30 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | S422 Q428 | S422-A426 PolarHBondContact O-N 3.22Å; A426-Q428 VanDerWaalsContact C-N 3.31Å |
| 427 | K | 80.3 | Confident | 79.7 | Confident | 186 Ų | 186 | 111.1 Ų | 111.1 | 81% | 0.809 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.5 | -19.5 | 173.7 | -78.1 | 178.5 | 179.5 | 177.1 | 0 | 113.8 | A423 S424 L425 | A423-K427 WeakPolarHBondContact O-CG 3.42Å; A423-K427 PolarHBondContact O-N 3.21Å; S424-K427 PolarHBondContact O-N 3.4Å; L425-K427 VanDerWaalsContact C-N 3.25Å; L425-K427 PolarHBondContact O-N 3.19Å |
| 428 | Q | 72.9 | Confident | 79.4 | Confident | 162 Ų | 162 | 112.4 Ų | 112.4 | 76% | 0.757 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 0 | 178.3 | -75.3 | -172.2 | -26.1 | 0 | 0 | 114 | S424 L425 A426 L430 | S424-Q428 PolarHBondContact O-N 3.33Å; L425-Q428 PolarHBondContact O-N 3.28Å; A426-Q428 VanDerWaalsContact C-N 3.31Å; Q428-L430 PolarHBondContact O-N 3.18Å |
| 429 | G | 65.2 | Low | 79.2 | Confident | 68 Ų | 68 | 117.2 Ų | 117.2 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.2 | 43.3 | 162 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 430 | L | 49.1 | Very low | 78.7 | Confident | 241 Ų | 241 | 116.7 Ų | 116.7 | 100% | 1.262 | 68% | 0.68 | S | S | * | * | | | trans | -82.7 | 0 | 163.5 | -140.7 | 87.9 | 0 | 0 | 0 | 111.3 | Q428 | Q428-L430 PolarHBondContact O-N 3.18Š|