| 1 | V | 49.7 | Very low | 43 | Very low | 191 Ų | 191 | 158.2 Ų | 158.2 | 100% | 1.158 | 85% | 0.848 | S | S | * | * | | | | 0 | -22.6 | 0 | 179.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 2 | R | 43.9 | Very low | 42.4 | Very low | 247 Ų | 247 | 151.9 Ų | 151.9 | 93% | 0.932 | 85% | 0.849 | S | S | * | * | | | trans | -153.4 | 125.5 | 153.8 | -109.8 | 175.1 | -78.8 | -172 | -2.9 | 107.1 | | |
| 3 | A | 46.6 | Very low | 42.2 | Very low | 102 Ų | 102 | 153.7 Ų | 153.7 | 84% | 0.843 | 85% | 0.854 | S | S | * | * | S | Bend | cis | -124.5 | 120.5 | -11.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 4 | A | 44.2 | Very low | 41.5 | Very low | 96 Ų | 96 | 149.9 Ų | 149.9 | 79% | 0.793 | 85% | 0.852 | S | S | * | * | | | trans | -168.1 | 54.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 5 | R | 48.1 | Very low | 40.8 | Very low | 238 Ų | 238 | 154.4 Ų | 154.4 | 90% | 0.898 | 85% | 0.852 | S | S | * | * | | | trans | -157.6 | 151.7 | 170.4 | -99 | -173.8 | 179.5 | -178.2 | -1.2 | 106.1 | | |
| 6 | E | 42.9 | Very low | 40.7 | Very low | 177 Ų | 177 | 152 Ų | 152 | 83% | 0.827 | 85% | 0.846 | S | S | * | * | | | trans | 71.5 | 125.5 | -164.8 | -60.8 | 171.7 | -146.7 | 0 | 0 | 112.6 | | |
| 7 | Q | 42.7 | Very low | 40.6 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 79% | 0.79 | 84% | 0.844 | S | S | * | * | | | cis | -138 | 139.1 | -6.7 | -106.9 | 173.3 | 20 | 0 | 0 | 112.1 | | |
| 8 | I | 45.1 | Very low | 40.3 | Very low | 153 Ų | 153 | 151.7 Ų | 151.7 | 79% | 0.785 | 85% | 0.848 | S | S | * | * | | | trans | -82.6 | 142.9 | 160.2 | 38.4 | 168.9 | 0 | 0 | 0 | 108.9 | | |
| 9 | N | 36 | Very low | 40.6 | Very low | 140 Ų | 140 | 149.5 Ų | 149.5 | 75% | 0.749 | 84% | 0.841 | S | S | * | * | | | trans | -171.8 | 154.9 | 141.7 | -98.3 | -26.7 | 0 | 0 | 0 | 114.3 | | |
| 10 | I | 36.2 | Very low | 40.3 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 78% | 0.779 | 85% | 0.846 | S | S | * | * | | | trans | -16.1 | 142.6 | 155.3 | -67.9 | 79.1 | 0 | 0 | 0 | 114.8 | | |
| 11 | G | 37.5 | Very low | 40 | Very low | 75 Ų | 75 | 151.8 Ų | 151.8 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | | | cis | 123.4 | 147.2 | 9.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 12 | G | 36.1 | Very low | 39 | Very low | 83 Ų | 83 | 150.8 Ų | 150.8 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | | | trans | 147.1 | 127.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 13 | L | 39 | Very low | 38.5 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -97.3 | 149.3 | 167.5 | -71.6 | 165.1 | 0 | 0 | 0 | 109.5 | | |
| 14 | A | 33.5 | Very low | 38.5 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | | | trans | -140.4 | 132.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 15 | Y | 31.1 | Very low | 38.6 | Very low | 217 Ų | 217 | 143.8 Ų | 143.8 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 159.7 | 178.4 | -88 | -103.3 | 0 | 0 | 0 | 111.7 | | |
| 16 | P | 38.6 | Very low | 37.9 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 150.8 | 177.2 | 32.6 | -35.9 | 0 | 0 | 0 | 113 | | |
| 17 | P | 39.2 | Very low | 37.7 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 157.5 | 177.7 | 36 | -35 | 0 | 0 | 0 | 113.8 | | |
| 18 | L | 34.1 | Very low | 37.7 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -130.2 | 159.2 | 166.1 | -78.2 | 176.5 | 0 | 0 | 0 | 110.7 | | |
| 19 | P | 47.3 | Very low | 37.1 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | | | trans | -102 | 156.5 | -158.3 | 38.1 | -35.8 | 0 | 0 | 0 | 116.2 | | |
| 20 | L | 33.5 | Very low | 36.8 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 95% | 0.948 | 79% | 0.792 | S | S | * | * | | | trans | -142.5 | 178 | 164.1 | -83.4 | 179.3 | 0 | 0 | 0 | 111.4 | | |
| 21 | H | 34.5 | Very low | 36.5 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | | | trans | -138.1 | 147 | -143.1 | -158.9 | 67.6 | 0 | 0 | 0 | 115.2 | | |
| 22 | E | 29.7 | Very low | 36.3 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | 65.2 | 148.9 | 150.4 | -159.7 | 173.4 | -162.1 | 0 | 0 | 120.7 | | |
| 23 | A | 31.7 | Very low | 36.2 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | | | cis | -154.8 | -122.3 | -39.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 24 | P | 46.7 | Very low | 36.5 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | | -103.9 | -168.2 | -113.4 | 42.3 | -30.7 | 0 | 0 | 0 | 114.1 | | |
| 25 | P | 46.6 | Very low | 36.3 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | cis | -151.6 | 176.9 | 13.3 | 47.7 | -27.5 | 0 | 0 | 0 | 121.4 | | |
| 26 | R | 33 | Very low | 36.1 | Very low | 232 Ų | 232 | 132.9 Ų | 132.9 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | | | trans | 89 | 158 | 150.3 | -79.1 | -161.2 | -167.8 | 88.3 | 4.3 | 122.1 | | |
| 27 | P | 39.6 | Very low | 35.6 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | | | trans | -129.7 | -147.7 | -147 | 48 | -30.5 | 0 | 0 | 0 | 112.6 | | |
| 28 | P | 42.9 | Very low | 35 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | cis | -138.7 | -162.6 | -9.9 | 42 | -21.9 | 0 | 0 | 0 | 116.1 | | |
| 29 | S | 31.6 | Very low | 34.7 | Very low | 127 Ų | 127 | 130 Ų | 130 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | | | trans | 90.4 | 139.4 | 160.1 | -153.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 30 | G | 30.4 | Very low | 34 | Very low | 59 Ų | 59 | 129.9 Ų | 129.9 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | | | cis | 168.7 | 165.9 | -6.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 31 | Y | 30.9 | Very low | 33.9 | Very low | 232 Ų | 232 | 127.1 Ų | 127.1 | 91% | 0.91 | 76% | 0.763 | S | S | * | * | | | trans | 65 | 147.1 | 179.1 | -86.2 | -125.5 | 0 | 0 | 0 | 116.1 | | |
| 32 | S | 32.9 | Very low | 33.9 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | | | cis | -160.1 | 164.8 | -16.1 | -118.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 33 | Q | 33.4 | Very low | 34 | Very low | 174 Ų | 174 | 121 Ų | 121 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -106.4 | 179.1 | 163 | -73.6 | -81.7 | -18.5 | 0 | 0 | 108.1 | | |
| 34 | P | 44.8 | Very low | 33.8 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | cis | -138.9 | -173.4 | 4.7 | 43.3 | -25 | 0 | 0 | 0 | 116.1 | | |
| 35 | A | 29.2 | Very low | 33.3 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | trans | 55.5 | 154.8 | 140.2 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 36 | S | 28.5 | Very low | 32.6 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | cis | 167.7 | 161 | -16 | -168.8 | 0 | 0 | 0 | 0 | 106.9 | | |
| 37 | V | 28.1 | Very low | 33.1 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | | | trans | 71.3 | 147.9 | 162.1 | -135.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 38 | C | 26.6 | Very low | 33.1 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | 108.1 | 84.8 | 149.9 | -67.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 39 | S | 26.6 | Very low | 33.1 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | | -16.7 | 165.3 | 122.3 | -51.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 40 | S | 33.3 | Very low | 33.1 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | cis | -177.2 | 159.9 | -15.3 | -88.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 41 | S | 30.2 | Very low | 33.2 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | | | trans | -176.7 | 154.6 | 158.1 | -85.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 42 | A | 35.9 | Very low | 33.9 | Very low | 84 Ų | 84 | 118.2 Ų | 118.2 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | | | cis | -171.2 | 172 | -20.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 43 | S | 31.6 | Very low | 34 | Very low | 122 Ų | 122 | 121 Ų | 121 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | 90.3 | 134.9 | 173.5 | -53 | 0 | 0 | 0 | 0 | 116.8 | | |
| 44 | F | 28 | Very low | 34 | Very low | 178 Ų | 178 | 117.8 Ų | 117.8 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | cis | -158.7 | 145.8 | -5.8 | -179.8 | -95.7 | 0 | 0 | 0 | 111.2 | | |
| 45 | N | 35.1 | Very low | 34.6 | Very low | 131 Ų | 131 | 117.9 Ų | 117.9 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | -5.7 | 151 | 170 | -54.3 | -41.1 | 0 | 0 | 0 | 120.8 | | |
| 46 | G | 32.5 | Very low | 34.6 | Very low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | | | cis | 149.9 | -179.9 | 10.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 47 | P | 43.4 | Very low | 36.2 | Very low | 128 Ų | 128 | 122 Ų | 122 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | | | cis | -116.8 | -175.9 | -2.7 | 41.8 | -28.2 | 0 | 0 | 0 | 114.8 | | |
| 48 | F | 38.4 | Very low | 36.4 | Very low | 195 Ų | 195 | 124.1 Ų | 124.1 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | | | trans | -109.4 | -178 | -172.8 | -80 | -80.6 | 0 | 0 | 0 | 112.2 | | |
| 49 | P | 43.7 | Very low | 36.9 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | cis | -130.4 | 179.4 | 8.8 | 43.8 | -27.3 | 0 | 0 | 0 | 115 | | |
| 50 | G | 32.1 | Very low | 37.8 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | cis | 115 | 123.3 | -1.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 51 | G | 31.6 | Very low | 37.9 | Very low | 79 Ų | 79 | 127.9 Ų | 127.9 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | | | trans | 165.1 | 111.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 52 | V | 46.2 | Very low | 38 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | -120.5 | 124.5 | 167.8 | -79 | 0 | 0 | 0 | 0 | 109.3 | | |
| 53 | V | 35.1 | Very low | 38.2 | Very low | 151 Ų | 151 | 133 Ų | 133 | 92% | 0.915 | 78% | 0.779 | S | S | * | * | | | trans | -145.5 | 146.4 | 175 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 54 | S | 34.2 | Very low | 38.4 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | trans | -154.4 | 157.5 | 174.3 | -178.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 55 | P | 56.6 | Low | 39 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | | | cis | -129.3 | 155.6 | -38.9 | 35.4 | -22.6 | 0 | 0 | 0 | 112.3 | | |
| 56 | Q | 28.8 | Very low | 39.5 | Very low | 179 Ų | 179 | 130.7 Ų | 130.7 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -169.7 | 154.6 | 149 | -110.3 | -168 | -58.6 | 0 | 0 | 112.4 | | |
| 57 | P | 63 | Low | 40.1 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | | | trans | -100.9 | 165 | 175 | 39.2 | -32.9 | 0 | 0 | 0 | 112.6 | | |
| 58 | H | 31.5 | Very low | 40.2 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -163.7 | 137.5 | 150.5 | -100.9 | -63.2 | 0 | 0 | 0 | 115.2 | | |
| 59 | S | 36.3 | Very low | 40.9 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | | | trans | 54.9 | 129 | 147.5 | -148.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 60 | S | 46.1 | Very low | 40.7 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -62.9 | 154 | 151.4 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 61 | Y | 35.8 | Very low | 41.8 | Very low | 213 Ų | 213 | 133 Ų | 133 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | -168.1 | 112.9 | 145.1 | -106.3 | -67.2 | 0 | 0 | 0 | 112.3 | | |
| 62 | Y | 33.2 | Very low | 42.5 | Very low | 228 Ų | 228 | 137 Ų | 137 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | | | | -162.3 | 156.2 | 127.1 | -157.2 | -102.5 | 0 | 0 | 0 | 109.9 | | |
| 63 | S | 39.2 | Very low | 42.5 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | | | trans | -121 | 144 | -167 | -61.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 64 | G | 35.8 | Very low | 42.8 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | trans | 62.6 | 113.3 | 131.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 65 | L | 40.1 | Very low | 43.3 | Very low | 181 Ų | 181 | 146.8 Ų | 146.8 | 95% | 0.948 | 78% | 0.78 | S | S | * | * | | | trans | -117.5 | 118.8 | 141.3 | -74.5 | 176.5 | 0 | 0 | 0 | 108.9 | | |
| 66 | S | 47 | Very low | 43 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | trans | -90.5 | 113.7 | 179.5 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 67 | G | 44.6 | Very low | 43.6 | Very low | 63 Ų | 63 | 146.1 Ų | 146.1 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 164 | 168 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 68 | P | 45.8 | Very low | 42.4 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 143.8 | -170 | 26.6 | -34.7 | 0 | 0 | 0 | 114.1 | H70 | P68-H70 PolarHBondContact O-N 3.15Š|
| 69 | Q | 51.3 | Low | 43.1 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 124.2 | 179.7 | -67.9 | 165.5 | -25.9 | 0 | 0 | 111.4 | | |
| 70 | H | 41.3 | Very low | 43.4 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 62% | 0.62 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 119.6 | 174.6 | -150.8 | -108.2 | 0 | 0 | 0 | 110.4 | P68 F72 | P68-H70 PolarHBondContact O-N 3.15Å; H70-F72 AromaticContact CE1-CD2 3.57Å; H70-F72 AromaticContact ND1-CD2 3.7Å; H70-F72 PolarHBondContact O-N 2.88Å |
| 71 | P | 53.8 | Low | 42.9 | Very low | 108 Ų | 108 | 152.4 Ų | 152.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -66 | -8.6 | -170 | -25.7 | 35.5 | 0 | 0 | 0 | 117 | | |
| 72 | F | 47.4 | Very low | 43.1 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -88.3 | -8.7 | -160.8 | -76.8 | -88.1 | 0 | 0 | 0 | 116.2 | H70 | H70-F72 AromaticContact CE1-CD2 3.57Å; H70-F72 AromaticContact ND1-CD2 3.7Å; H70-F72 PolarHBondContact O-N 2.88Å |
| 73 | Y | 46.3 | Very low | 43 | Very low | 212 Ų | 212 | 148.1 Ų | 148.1 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -107.1 | 34.2 | -178.3 | -65.5 | -63.3 | 0 | 0 | 0 | 113.8 | | |
| 74 | N | 41 | Very low | 42.8 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -154.1 | 68.4 | 174 | -130.4 | -21.4 | 0 | 0 | 0 | 115 | | |
| 75 | R | 44.1 | Very low | 43 | Very low | 246 Ų | 246 | 151.3 Ų | 151.3 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | | | trans | -161.1 | 152.6 | 148.8 | -113.5 | -179.5 | 175.6 | 169.4 | -0.2 | 112.2 | | |
| 76 | P | 49.6 | Very low | 42.6 | Very low | 105 Ų | 105 | 153.4 Ų | 153.4 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | | | trans | -103 | 171.8 | -175 | 40.1 | -34.4 | 0 | 0 | 0 | 114.2 | | |
| 77 | F | 42.1 | Very low | 41.9 | Very low | 172 Ų | 172 | 158 Ų | 158 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | trans | 81.5 | 143.3 | 157.9 | -86.2 | -76 | 0 | 0 | 0 | 121.9 | | |
| 78 | F | 38.8 | Very low | 41.2 | Very low | 194 Ų | 194 | 164.8 Ų | 164.8 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | 81.8 | 152.8 | 162.2 | -55.7 | -56.2 | 0 | 0 | 0 | 120.1 | | |
| 79 | A | 46.5 | Very low | 40.9 | Very low | 88 Ų | 88 | 164.6 Ų | 164.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -144.1 | 166.2 | -163.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 80 | P | 42.5 | Very low | 39.9 | Very low | 120 Ų | 120 | 159.3 Ų | 159.3 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | -125.3 | 133.7 | 170.6 | 36.8 | -22.7 | 0 | 0 | 0 | 116.3 | | |
| 81 | Y | 35.6 | Very low | 39.6 | Very low | 208 Ų | 208 | 156.9 Ų | 156.9 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | | | trans | -20.2 | 163.1 | 138.5 | -49.6 | -83.5 | 0 | 0 | 0 | 117.3 | | |
| 82 | L | 38.9 | Very low | 38.5 | Very low | 134 Ų | 134 | 157.2 Ų | 157.2 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | | | cis | -171.5 | 148.3 | -5.9 | -115.9 | 168.1 | 0 | 0 | 0 | 109.4 | | |
| 83 | Y | 31 | Very low | 38.1 | Very low | 217 Ų | 217 | 157.7 Ų | 157.7 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -161.7 | 139.4 | 144.2 | -149.8 | -97.7 | 0 | 0 | 0 | 112.4 | | |
| 84 | T | 36.1 | Very low | 37.4 | Very low | 110 Ų | 110 | 156.5 Ų | 156.5 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | | | trans | -145.4 | 129.7 | 178.6 | 52.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 85 | P | 38.4 | Very low | 37.1 | Very low | 117 Ų | 117 | 156.5 Ų | 156.5 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 159.3 | 177.1 | -16.7 | 32 | 0 | 0 | 0 | 114.8 | | |
| 86 | R | 32.8 | Very low | 36.6 | Very low | 225 Ų | 225 | 152.1 Ų | 152.1 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 139 | 176.7 | -78.6 | -79.5 | -166.1 | 100.3 | 0.8 | 112.6 | | |
| 87 | Y | 31.4 | Very low | 35.5 | Very low | 224 Ų | 224 | 152.7 Ų | 152.7 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 153.5 | 157.7 | -91.4 | -100.7 | 0 | 0 | 0 | 111.7 | | |
| 88 | Y | 29.7 | Very low | 35.2 | Very low | 206 Ų | 206 | 155.8 Ų | 155.8 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | | | trans | -132.3 | 134.6 | 163.9 | -111.4 | -80.2 | 0 | 0 | 0 | 108.6 | | |
| 89 | P | 39.3 | Very low | 34.7 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | trans | -92.3 | 132.3 | -178.4 | 33.9 | -32.5 | 0 | 0 | 0 | 112.7 | | |
| 90 | G | 31.6 | Very low | 33.9 | Very low | 83 Ų | 83 | 153.6 Ų | 153.6 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | -171.2 | 123.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 91 | G | 34.3 | Very low | 33.5 | Very low | 83 Ų | 83 | 154.3 Ų | 154.3 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | | | trans | -119.5 | 167 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 92 | S | 31 | Very low | 33.1 | Very low | 114 Ų | 114 | 153.5 Ų | 153.5 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | trans | -139.7 | 155.9 | 159.7 | 66.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 93 | Q | 38.2 | Very low | 32.7 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | -93.6 | 137 | 174.4 | -59.4 | 179.6 | 10.5 | 0 | 0 | 109.4 | | |
| 94 | H | 33.2 | Very low | 32.5 | Very low | 187 Ų | 187 | 148.3 Ų | 148.3 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | | | trans | -138.3 | 149.9 | 157.5 | -96.1 | -82.7 | 0 | 0 | 0 | 110.9 | | |
| 95 | L | 33.8 | Very low | 32.3 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | | | trans | -105.3 | 160.2 | -161.1 | -66.4 | 167.4 | 0 | 0 | 0 | 112.8 | S97 | L95-S97 PolarHBondContact O-N 3.2Š|
| 96 | I | 33 | Very low | 32.2 | Very low | 154 Ų | 154 | 151.7 Ų | 151.7 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | | | trans | -64.6 | 123.7 | 171.3 | -62.3 | 83.2 | 0 | 0 | 0 | 109.7 | | |
| 97 | S | 27.1 | Very low | 32.1 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -69.5 | 128.4 | 170.9 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | L95 | L95-S97 PolarHBondContact O-N 3.2Š|
| 98 | R | 35.7 | Very low | 32 | Very low | 236 Ų | 236 | 147.2 Ų | 147.2 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | | | trans | -119.2 | 145.5 | 163 | -76.8 | -171.2 | 171.4 | -134.4 | -1.7 | 109.8 | | |
| 99 | S | 27.8 | Very low | 32.3 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | -66.8 | 144.6 | 178.1 | 47.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 100 | S | 30.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -115.9 | 119.3 | -179.2 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 101 | V | 33.5 | Very low | 32 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | -92.4 | 119.1 | 171.2 | 179 | 0 | 0 | 0 | 0 | 108.2 | | |
| 102 | K | 28.6 | Very low | 31.8 | Very low | 192 Ų | 192 | 146 Ų | 146 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -96.4 | 103.6 | -170.4 | -178.8 | -177.8 | 175.8 | -177.1 | 0 | 111.6 | | |
| 103 | T | 29.3 | Very low | 32 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | | | trans | -107.6 | 130.1 | 163.1 | 47.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 104 | S | 26.8 | Very low | 32 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | -103.1 | 132.3 | -175.2 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 105 | L | 32.3 | Very low | 32.2 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | | | trans | -114.2 | 138.2 | 163.4 | -75.2 | 171 | 0 | 0 | 0 | 109.7 | | |
| 106 | P | 37.5 | Very low | 32.4 | Very low | 129 Ų | 129 | 145 Ų | 145 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | -75.7 | 167.8 | 168.6 | 33.2 | -33.9 | 0 | 0 | 0 | 111.4 | | |
| 107 | R | 29 | Very low | 32.5 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | | | trans | -116.7 | 134.5 | -170.8 | 161.1 | -171.5 | 175.2 | 173.9 | -0.8 | 109.5 | | |
| 108 | D | 30.9 | Very low | 33.1 | Very low | 157 Ų | 157 | 149 Ų | 149 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | | | trans | -143.9 | 169.2 | 160.3 | -129.2 | -41.3 | 0 | 0 | 0 | 112.9 | | |
| 109 | Q | 35 | Very low | 33.3 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 57% | 0.565 | 79% | 0.788 | S | S | * | * | | | trans | -135.9 | 159.8 | -149.2 | -63.5 | 174.4 | 96.8 | 0 | 0 | 116.5 | | |
| 110 | N | 31.1 | Very low | 33.9 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | trans | 98.2 | 127.5 | 158.5 | -56.7 | -74.2 | 0 | 0 | 0 | 119.8 | | |
| 111 | N | 33.2 | Very low | 34.2 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | | 33.9 | 139.9 | 129.8 | -43.7 | -13.8 | 0 | 0 | 0 | 119.7 | | |
| 112 | G | 29.6 | Very low | 34.4 | Very low | 70 Ų | 70 | 144.8 Ų | 144.8 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | cis | 137.9 | 148 | 6.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 113 | L | 36.9 | Very low | 34.6 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | 77.3 | 123.6 | 173.6 | -67.6 | 164.2 | 0 | 0 | 0 | 120.5 | | |
| 114 | E | 38 | Very low | 34.8 | Very low | 173 Ų | 173 | 141 Ų | 141 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | trans | 28.5 | 132.8 | 138.6 | -57.6 | -178.8 | 154 | 0 | 0 | 123 | | |
| 115 | V | 37.6 | Very low | 35.7 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | | -162.6 | 113.7 | 123.1 | 131.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 116 | I | 36.8 | Very low | 35.8 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | | | | 36.4 | 106.2 | 129.6 | -55.3 | 174.3 | 0 | 0 | 0 | 119.6 | | |
| 117 | K | 36.4 | Very low | 36.3 | Very low | 174 Ų | 174 | 138 Ų | 138 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | | | | 43.7 | 127.8 | 119.4 | -173.9 | -155.1 | 176.7 | -165.2 | 0 | 121 | | |
| 118 | E | 39 | Very low | 36.5 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | | -151.3 | 176.1 | 124.2 | -159.2 | 120.1 | 127.9 | 0 | 0 | 110.2 | | |
| 119 | D | 39.2 | Very low | 36.4 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | trans | -133.3 | -165.6 | -161.6 | -152.7 | -50.6 | 0 | 0 | 0 | 110.3 | | |
| 120 | A | 40.7 | Very low | 36.1 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | | | trans | 77.7 | 144.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 121 | A | 37.3 | Very low | 36 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | cis | -166 | 162.4 | -16.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 122 | E | 37 | Very low | 36.2 | Very low | 201 Ų | 201 | 133.5 Ų | 133.5 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | | | trans | 62.3 | 144.7 | 154.1 | -73.5 | 175.8 | -162.3 | 0 | 0 | 121.8 | | |
| 123 | G | 33.1 | Very low | 36.3 | Very low | 74 Ų | 74 | 138.2 Ų | 138.2 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | 143.8 | 81.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 124 | L | 33.9 | Very low | 36 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | | | trans | -100.1 | -175.1 | 168.9 | -57.9 | 175.1 | 0 | 0 | 0 | 110.4 | | |
| 125 | P | 45.8 | Very low | 35.5 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | | -125.7 | 175.2 | -102.8 | 32.6 | -11.4 | 0 | 0 | 0 | 116.6 | | |
| 126 | S | 33.2 | Very low | 35 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -5.8 | 147 | 158.2 | -47.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 127 | P | 49.1 | Very low | 34.8 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | | | | -150.4 | 151.9 | 89.4 | 38.2 | -20.9 | 0 | 0 | 0 | 118.5 | | |
| 128 | T | 33.7 | Very low | 34.6 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | trans | 57.1 | 120 | 143 | -52.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 129 | A | 27.6 | Very low | 34.1 | Very low | 86 Ų | 86 | 127.7 Ų | 127.7 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | | -156.8 | 160.8 | 57.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 130 | S | 29.1 | Very low | 33.7 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | | | trans | 9.3 | 139 | 150.2 | -60.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 131 | S | 29.3 | Very low | 33.2 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | | | cis | -167.3 | 134.6 | 13 | 142 | 0 | 0 | 0 | 0 | 112.9 | | |
| 132 | R | 38.1 | Very low | 33.4 | Very low | 235 Ų | 235 | 139.4 Ų | 139.4 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | | | trans | 55.8 | 137.3 | 150.8 | -58.9 | 170.8 | -174.7 | 178.5 | 1.5 | 118.4 | | |
| 133 | L | 30.9 | Very low | 33.1 | Very low | 170 Ų | 170 | 138 Ų | 138 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | | | cis | -157.9 | 135.5 | -16 | 171.3 | 61.5 | 0 | 0 | 0 | 105.9 | | |
| 134 | C | 30.2 | Very low | 33 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | | | trans | -119.6 | 138.3 | -175.5 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 135 | D | 27.2 | Very low | 32.7 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | | | | -168 | 133.2 | 125.6 | -99.1 | -41 | 0 | 0 | 0 | 106 | | |
| 136 | S | 28.6 | Very low | 31.9 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | | 66.4 | 131.2 | 52.8 | 115.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 137 | G | 30.8 | Very low | 32.1 | Very low | 60 Ų | 60 | 135.2 Ų | 135.2 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | | | cis | 157.1 | 59.5 | -7.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 138 | F | 33.1 | Very low | 31.3 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | | | trans | -129.7 | 106.6 | 177.5 | -87.8 | -83.4 | 0 | 0 | 0 | 115.1 | | |
| 139 | N | 27.8 | Very low | 31.6 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | | 38.4 | 129.3 | 129.8 | -86.6 | -69.6 | 0 | 0 | 0 | 121.4 | | |
| 140 | K | 31.1 | Very low | 32.5 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | | 70.6 | 98.6 | 128.3 | -171.9 | -172.3 | 179.5 | -177.9 | 0 | 117.7 | | |
| 141 | Q | 31.4 | Very low | 33.5 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | | -148 | 121.6 | 119 | -166.9 | 67.5 | -30.1 | 0 | 0 | 112.1 | Q143 | Q141-Q143 HydrophobicContact CG-CG 3.86Å; Q141-Q143 PolarHBondContact O-N 2.93Å |
| 142 | R | 40.2 | Very low | 35.2 | Very low | 229 Ų | 229 | 134 Ų | 134 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | -80.8 | 90.7 | 165.6 | -149.5 | -172.7 | -167 | -118.7 | 6.2 | 106.6 | A144 | R142-A144 PolarHBondContact O-N 3.06Š|
| 143 | Q | 30.8 | Very low | 37.3 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | | | trans | -76 | 79.9 | 169.3 | -73.2 | -163.1 | 2.2 | 0 | 0 | 109.4 | Q141 S145 | Q141-Q143 HydrophobicContact CG-CG 3.86Å; Q141-Q143 PolarHBondContact O-N 2.93Å; Q143-S145 VanDerWaalsContact C-N 3.26Å; Q143-S145 PolarHBondContact O-N 3.16Å; Q143-S145 VanDerWaalsContact O-N 3.16Å |
| 144 | A | 31.1 | Very low | 40.2 | Very low | 78 Ų | 78 | 122.2 Ų | 122.2 | 65% | 0.645 | 71% | 0.712 | S | S | * | * | | | trans | -71.1 | 93.3 | 149.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | R142 V146 | R142-A144 PolarHBondContact O-N 3.06Å; A144-V146 PolarHBondContact O-N 2.75Å |
| 145 | S | 27.1 | Very low | 43.2 | Very low | 104 Ų | 104 | 117.4 Ų | 117.4 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | | | trans | -66.1 | 105.2 | 169.1 | 50 | 0 | 0 | 0 | 0 | 108.4 | Q143 | Q143-S145 VanDerWaalsContact C-N 3.26Å; Q143-S145 PolarHBondContact O-N 3.16Å; Q143-S145 VanDerWaalsContact O-N 3.16Å |
| 146 | V | 30.4 | Very low | 46.4 | Very low | 124 Ų | 124 | 112.2 Ų | 112.2 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | | | trans | -49.3 | 133.1 | 151.4 | 179 | 0 | 0 | 0 | 0 | 106.3 | A144 A148 | A144-V146 PolarHBondContact O-N 2.75Å; V146-A148 PolarHBondContact O-N 2.7Å |
| 147 | P | 37.1 | Very low | 49.5 | Very low | 108 Ų | 108 | 110.2 Ų | 110.2 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | | | trans | -56.6 | 115 | -174.5 | 21.4 | -33.3 | 0 | 0 | 0 | 110.1 | T149 | P147-T149 PolarHBondContact O-N 2.62Š|
| 148 | A | 32 | Very low | 52.6 | Low | 93 Ų | 93 | 107.6 Ų | 107.6 | 77% | 0.769 | 61% | 0.613 | S | S | * | * | | | trans | -71.1 | 99.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | V146 G150 | V146-A148 PolarHBondContact O-N 2.7Å; A148-G150 PolarHBondContact O-N 2.99Å |
| 149 | T | 40.5 | Very low | 55.7 | Low | 140 Ų | 140 | 101.9 Ų | 101.9 | 86% | 0.859 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 114.8 | 176 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | P147 | P147-T149 PolarHBondContact O-N 2.62Š|
| 150 | G | 46.2 | Very low | 59 | Low | 69 Ų | 69 | 96.4 Ų | 96.4 | 71% | 0.711 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.4 | 56.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | A148 | A148-G150 PolarHBondContact O-N 2.99Š|
| 151 | T | 48.8 | Very low | 62.2 | Low | 119 Ų | 119 | 91.9 Ų | 91.9 | 73% | 0.73 | 55% | 0.55 | S | S | * | . | | | trans | -93.2 | 111.7 | 135.7 | 44.9 | 0 | 0 | 0 | 0 | 108.2 | L153 | T151-L153 VanDerWaalsContact C-N 3.27Å; T151-L153 PolarHBondContact O-N 3.35Å |
| 152 | S | 65.6 | Low | 65.3 | Low | 100 Ų | 100 | 87.1 Ų | 87.1 | 70% | 0.699 | 53% | 0.528 | S | S | * | . | | | trans | -72.9 | 82.3 | 178.3 | -62.3 | 0 | 0 | 0 | 0 | 110.4 | L154 | S152-L154 PolarHBondContact O-N 3.25Š|
| 153 | L | 83.1 | Confident | 68 | Low | 83 Ų | 83 | 76.3 Ų | 76.3 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | | | trans | -57.6 | 120.8 | 169.8 | -80.6 | 166.7 | 0 | 0 | 0 | 109.6 | T151 M158 I162 M224 | T151-L153 VanDerWaalsContact C-N 3.27Å; T151-L153 PolarHBondContact O-N 3.35Å; L153-M158 HydrophobicContact CB-CE 3.69Å; L153-I162 HydrophobicContact CD1-CG2 4.41Å; L153-M224 VanDerWaalsContact O-CE 3.27Å; L153-M224 WeakPolarHBondContact O-CE 3.22Å |
| 154 | L | 90.1 | Very high | 71.2 | Confident | 73 Ų | 73 | 68.1 Ų | 68.1 | 38% | 0.382 | 45% | 0.45 | S | S | . | . | | | trans | -53.8 | 136.5 | 174.4 | -84.3 | 75.9 | 0 | 0 | 0 | 110.3 | S152 S156 S157 E228 V231 | S152-L154 PolarHBondContact O-N 3.25Å; L154-S156 PolarHBondContact O-N 3.42Å; L154-S157 WeakPolarHBondContact O-CB 3.4Å; L154-S157 PolarHBondContact O-N 2.95Å; L154-S157 PolarHBondContact O-OG 3.06Å; L154-E228 WeakPolarHBondContact CB-OE1 3.33Å; L154-E228 HydrophobicContact CD2-CG 4.48Å; L154-E228 HydrophobicContact CG-CG 4.5Å; L154-V231 HydrophobicContact CD1-CG1 4.02Å; L154-V231 HydrophobicContact CD2-CG1 4.14Å; L154-V231 HydrophobicContact CG-CG1 4.2Å |
| 155 | L | 94.2 | Very high | 74.3 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.01 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -57.1 | -47.8 | -175.3 | -178.7 | 58.8 | 0 | 0 | 0 | 111.4 | S157 M158 G192 L195 A196 M224 R225 E228 | L155-S157 PolarHBondContact O-N 3.1Å; L155-M158 HydrophobicContact CD1-SD 4.37Å; L155-M158 PolarHBondContact O-N 3.3Å; L155-M158 VanDerWaalsContact O-N 3.09Å; L155-G192 CarbonylContact O-C 3.32Å; L155-G192 VanDerWaalsContact O-C 3.32Å; L155-G192 WeakPolarHBondContact O-CA 3.45Å; L155-L195 HydrophobicContact CD1-CB 4Å; L155-L195 HydrophobicContact CD2-CB 4.3Å; L155-L195 HydrophobicContact CG-CB 4.32Å; L155-A196 HydrophobicContact CD2-CB 4.17Å; L155-A196 HydrophobicContact CG-CB 4.27Å; L155-M224 HydrophobicContact CB-CB 4.11Å; L155-M224 HydrophobicContact CB-CE 4.06Å; L155-M224 HydrophobicContact CD1-CB 4.04Å; L155-M224 HydrophobicContact CD1-CE 4.1Å; L155-M224 HydrophobicContact CD1-SD 4.02Å; L155-M224 HydrophobicContact CD2-CB 3.87Å; L155-M224 HydrophobicContact CG-CB 4.23Å; L155-R225 HydrophobicContact CD2-CG 3.74Å; L155-E228 WeakPolarHBondContact CB-OE2 3.45Å |
| 156 | S | 94.4 | Very high | 77.5 | Confident | 34 Ų | 34 | 67.9 Ų | 67.9 | 24% | 0.238 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -60.8 | -17 | 177.4 | 74.2 | 0 | 0 | 0 | 0 | 115.1 | L154 R193 E228 | L154-S156 PolarHBondContact O-N 3.42Å; S156-R193 WeakPolarHBondContact O-CG 3.47Å; S156-E228 WeakPolarHBondContact CB-OE1 3.26Å; S156-E228 VanDerWaalsContact N-CD 3.34Å; S156-E228 PolarHBondContact N-OE1 3.25Å; S156-E228 PolarHBondContact N-OE2 3.04Å; S156-E228 PolarHBondContact OG-OE1 3.35Å |
| 157 | S | 94.3 | Very high | 80.7 | Confident | 61 Ų | 61 | 62 Ų | 62 | 43% | 0.427 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -82.9 | -16.4 | 177.5 | 77.7 | 0 | 0 | 0 | 0 | 114 | L154 L155 | L154-S157 WeakPolarHBondContact O-CB 3.4Å; L154-S157 PolarHBondContact O-N 2.95Å; L154-S157 PolarHBondContact O-OG 3.06Å; L155-S157 PolarHBondContact O-N 3.1Å |
| 158 | M | 95.6 | Very high | 83.5 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 3% | 0.03 | 38% | 0.375 | C | S | . | . | | | trans | -72.8 | 133.3 | -170.8 | -63.8 | -168.7 | 161.1 | 0 | 0 | 113.4 | L153 L155 I162 V163 K166 G192 M224 | L153-M158 HydrophobicContact CB-CE 3.69Å; L155-M158 HydrophobicContact CD1-SD 4.37Å; L155-M158 PolarHBondContact O-N 3.3Å; L155-M158 VanDerWaalsContact O-N 3.09Å; M158-I162 HydrophobicContact CB-CB 4.23Å; M158-I162 HydrophobicContact CB-CG2 4.01Å; M158-I162 HydrophobicContact CE-CG2 3.95Å; M158-I162 HydrophobicContact CG-CG2 3.76Å; M158-I162 HydrophobicContact SD-CG2 3.79Å; M158-V163 HydrophobicContact CB-CG2 3.95Å; M158-K166 HydrophobicContact CE-CD 4.33Å; M158-K166 HydrophobicContact CE-CG 3.92Å; M158-K166 HydrophobicContact SD-CG 4.06Å; M158-G192 WeakPolarHBondContact O-CA 3.42Å; M158-G192 PolarHBondContact O-N 3.37Å; M158-M224 HydrophobicContact CE-CE 3.32Å; M158-M224 HydrophobicContact CE-SD 4.01Å; M158-M224 HydrophobicContact SD-CE 3.83Å; M158-M224 HydrophobicContact SD-SD 4.15Å |
| 159 | T | 97.3 | Very high | 86.6 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | | | trans | -76.8 | 164.2 | 166.9 | 65.5 | 0 | 0 | 0 | 0 | 110.8 | D161 I162 V163 | T159-D161 PolarHBondContact O-N 2.84Å; T159-I162 HydrophobicContact CG2-CD1 4.46Å; T159-I162 PolarHBondContact O-N 3.11Å; T159-I162 VanDerWaalsContact O-N 3.1Å; T159-I162 WeakPolarHBondContact OG1-CG1 3.43Å; T159-I162 PolarHBondContact OG1-N 3.44Å; T159-V163 WeakPolarHBondContact O-CG2 3.44Å; T159-V163 PolarHBondContact O-N 2.88Å |
| 160 | V | 97.8 | Very high | 89.2 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.9 | -39.3 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | V163 C164 I185 K186 N189 N191 | V160-V163 PolarHBondContact O-N 2.95Å; V160-C164 PolarHBondContact O-N 3.39Å; V160-C164 PolarHBondContact O-SG 3.21Å; V160-I185 HydrophobicContact CG1-CG2 3.8Å; V160-K186 HydrophobicContact CG1-CB 4.38Å; V160-K186 HydrophobicContact CG1-CG 3.73Å; V160-N189 WeakPolarHBondContact CG2-OD1 3.48Å; V160-N191 HydrophobicContact CG2-CB 3.88Å |
| 161 | D | 97.7 | Very high | 91.6 | Very high | 88 Ų | 88 | 63.6 Ų | 63.6 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 176.8 | -66.6 | -77.5 | 0 | 0 | 0 | 112.9 | T159 V163 C164 E165 K186 | T159-D161 PolarHBondContact O-N 2.84Å; D161-V163 VanDerWaalsContact C-N 3.29Å; D161-V163 PolarHBondContact O-N 3.21Å; D161-C164 CarbonylContact O-C 3.55Å; D161-C164 WeakPolarHBondContact O-CA 3.49Å; D161-C164 WeakPolarHBondContact O-CB 3.5Å; D161-C164 PolarHBondContact O-N 2.86Å; D161-C164 VanDerWaalsContact O-N 3.11Å; D161-E165 WeakPolarHBondContact O-CG 3.36Å; D161-E165 PolarHBondContact O-N 2.77Å; D161-K186 VanDerWaalsContact OD1-CE 3.22Å; D161-K186 WeakPolarHBondContact OD1-CE 3.48Å; D161-K186 IonicContact OD1-NZ 2.62Å; D161-K186 PolarHBondContact OD1-NZ 3Å |
| 162 | I | 96.8 | Very high | 93.7 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 175 | -64 | 168.7 | 0 | 0 | 0 | 110.3 | L153 M158 T159 E165 K166 | L153-I162 HydrophobicContact CD1-CG2 4.41Å; M158-I162 HydrophobicContact CB-CB 4.23Å; M158-I162 HydrophobicContact CB-CG2 4.01Å; M158-I162 HydrophobicContact CE-CG2 3.95Å; M158-I162 HydrophobicContact CG-CG2 3.76Å; M158-I162 HydrophobicContact SD-CG2 3.79Å; T159-I162 HydrophobicContact CG2-CD1 4.46Å; T159-I162 PolarHBondContact O-N 3.11Å; T159-I162 VanDerWaalsContact O-N 3.1Å; T159-I162 WeakPolarHBondContact OG1-CG1 3.43Å; T159-I162 PolarHBondContact OG1-N 3.44Å; I162-E165 PolarHBondContact O-N 3.01Å; I162-K166 WeakPolarHBondContact O-CB 3.41Å; I162-K166 PolarHBondContact O-N 3.19Å |
| 163 | V | 97.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 172.2 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | M158 T159 V160 D161 E165 K166 L167 I185 L195 | M158-V163 HydrophobicContact CB-CG2 3.95Å; T159-V163 WeakPolarHBondContact O-CG2 3.44Å; T159-V163 PolarHBondContact O-N 2.88Å; V160-V163 PolarHBondContact O-N 2.95Å; D161-V163 VanDerWaalsContact C-N 3.29Å; D161-V163 PolarHBondContact O-N 3.21Å; V163-E165 VanDerWaalsContact C-N 3.32Å; V163-E165 PolarHBondContact O-N 3.39Å; V163-K166 PolarHBondContact O-N 3.22Å; V163-L167 PolarHBondContact O-N 3.21Å; V163-I185 HydrophobicContact CB-CG2 4.48Å; V163-I185 HydrophobicContact CG1-CD1 4.23Å; V163-I185 HydrophobicContact CG1-CG2 3.99Å; V163-L195 HydrophobicContact CB-CD1 4.38Å; V163-L195 HydrophobicContact CG1-CD1 3.48Å; V163-L195 VanDerWaalsContact CG1-CD1 3.48Å; V163-L195 HydrophobicContact CG2-CD1 3.9Å |
| 164 | C | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.8 | -30.2 | 173.1 | -67.8 | 0 | 0 | 0 | 0 | 113.5 | V160 D161 R168 I185 | V160-C164 PolarHBondContact O-N 3.39Å; V160-C164 PolarHBondContact O-SG 3.21Å; D161-C164 CarbonylContact O-C 3.55Å; D161-C164 WeakPolarHBondContact O-CA 3.49Å; D161-C164 WeakPolarHBondContact O-CB 3.5Å; D161-C164 PolarHBondContact O-N 2.86Å; D161-C164 VanDerWaalsContact O-N 3.11Å; C164-R168 VanDerWaalsContact O-CZ 3.25Å; C164-R168 PolarHBondContact O-N 3.39Å; C164-R168 PolarHBondContact O-NH1 2.99Å; C164-R168 PolarHBondContact O-NH2 2.98Å; C164-I185 VanDerWaalsContact SG-CG2 3.54Å |
| 165 | E | 96.3 | Very high | 96 | Very high | 108 Ų | 108 | 59.8 Ų | 59.8 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -74.7 | -37.7 | 172.1 | -67.3 | -153.5 | 131.9 | 0 | 0 | 112.3 | D161 I162 V163 R168 Q169 | D161-E165 WeakPolarHBondContact O-CG 3.36Å; D161-E165 PolarHBondContact O-N 2.77Å; I162-E165 PolarHBondContact O-N 3.01Å; V163-E165 VanDerWaalsContact C-N 3.32Å; V163-E165 PolarHBondContact O-N 3.39Å; E165-R168 CarbonylContact O-C 3.58Å; E165-R168 WeakPolarHBondContact O-CA 3.48Å; E165-R168 WeakPolarHBondContact O-CB 3.45Å; E165-R168 PolarHBondContact O-N 3.06Å; E165-Q169 WeakPolarHBondContact O-CG 3.33Å; E165-Q169 PolarHBondContact O-N 3.18Å |
| 166 | K | 95.3 | Very high | 96.1 | Very high | 68 Ų | 68 | 62.5 Ų | 62.5 | 30% | 0.296 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 174 | -81.9 | -75 | 165.3 | -159.8 | 0 | 112.1 | M158 I162 V163 R168 Q169 M220 M224 | M158-K166 HydrophobicContact CE-CD 4.33Å; M158-K166 HydrophobicContact CE-CG 3.92Å; M158-K166 HydrophobicContact SD-CG 4.06Å; I162-K166 WeakPolarHBondContact O-CB 3.41Å; I162-K166 PolarHBondContact O-N 3.19Å; V163-K166 PolarHBondContact O-N 3.22Å; K166-R168 PolarHBondContact O-N 3.04Å; K166-Q169 WeakPolarHBondContact O-CB 3.47Å; K166-Q169 PolarHBondContact O-N 3Å; K166-M220 HydrophobicContact CB-CE 4.31Å; K166-M220 HydrophobicContact CB-SD 3.92Å; K166-M224 HydrophobicContact CD-SD 4.5Å |
| 167 | L | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55 | -35.6 | 169.4 | -170.2 | 79.7 | 0 | 0 | 0 | 112.1 | V163 Q169 I170 L173 L178 I185 M209 F217 | V163-L167 PolarHBondContact O-N 3.21Å; L167-Q169 VanDerWaalsContact C-N 3.28Å; L167-Q169 PolarHBondContact O-N 3.39Å; L167-I170 HydrophobicContact CD1-CD1 4.11Å; L167-I170 PolarHBondContact O-N 3.33Å; L167-L173 HydrophobicContact CD1-CD1 3.73Å; L167-L173 HydrophobicContact CG-CD1 4.09Å; L167-L178 HydrophobicContact CD2-CD1 3.82Å; L167-L178 HydrophobicContact CG-CD1 3.99Å; L167-I185 HydrophobicContact CB-CD1 4.43Å; L167-I185 HydrophobicContact CD1-CD1 4.49Å; L167-I185 HydrophobicContact CD2-CD1 3.82Å; L167-I185 HydrophobicContact CG-CD1 4.48Å; L167-M209 HydrophobicContact CD1-CE 3.76Å; L167-F217 HydrophobicContact CD1-CB 4.4Å; L167-F217 HydrophobicContact CD1-CD2 3.43Å; L167-F217 VanDerWaalsContact CD1-CD2 3.43Å; L167-F217 HydrophobicContact CD1-CE2 3.9Å; L167-F217 HydrophobicContact CD1-CG 4.09Å |
| 168 | R | 96.6 | Very high | 96.3 | Very high | 120 Ų | 120 | 61.4 Ų | 61.4 | 45% | 0.453 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -14.4 | 176.7 | -122.1 | -174.9 | -49.1 | -59.6 | -3.8 | 114.8 | C164 E165 K166 L178 C182 | C164-R168 VanDerWaalsContact O-CZ 3.25Å; C164-R168 PolarHBondContact O-N 3.39Å; C164-R168 PolarHBondContact O-NH1 2.99Å; C164-R168 PolarHBondContact O-NH2 2.98Å; E165-R168 CarbonylContact O-C 3.58Å; E165-R168 WeakPolarHBondContact O-CA 3.48Å; E165-R168 WeakPolarHBondContact O-CB 3.45Å; E165-R168 PolarHBondContact O-N 3.06Å; K166-R168 PolarHBondContact O-N 3.04Å; R168-L178 HydrophobicContact CG-CD1 4.06Å; R168-L178 HydrophobicContact CG-CD2 3.67Å; R168-L178 HydrophobicContact CG-CG 4.42Å; R168-C182 PolarHBondContact NH1-SG 3.46Å; R168-C182 VanDerWaalsContact NH1-SG 3.39Å |
| 169 | Q | 95.8 | Very high | 96.4 | Very high | 117 Ų | 117 | 64.7 Ų | 64.7 | 55% | 0.547 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -1.3 | 179 | -68 | 166.1 | 15.9 | 0 | 0 | 112 | E165 K166 L167 E171 | E165-Q169 WeakPolarHBondContact O-CG 3.33Å; E165-Q169 PolarHBondContact O-N 3.18Å; K166-Q169 WeakPolarHBondContact O-CB 3.47Å; K166-Q169 PolarHBondContact O-N 3Å; L167-Q169 VanDerWaalsContact C-N 3.28Å; L167-Q169 PolarHBondContact O-N 3.39Å; Q169-E171 PolarHBondContact O-N 3.06Å |
| 170 | I | 96.6 | Very high | 96.5 | Very high | 27 Ų | 27 | 66.4 Ų | 66.4 | 14% | 0.138 | 36% | 0.356 | C | S | . | . | | | trans | -76.9 | 114 | 176.2 | -58.6 | -174.5 | 0 | 0 | 0 | 109.5 | L167 L173 L216 F217 M220 | L167-I170 HydrophobicContact CD1-CD1 4.11Å; L167-I170 PolarHBondContact O-N 3.33Å; I170-L173 HydrophobicContact CB-CB 4.23Å; I170-L173 HydrophobicContact CB-CD1 4.04Å; I170-L173 HydrophobicContact CD1-CD1 4.01Å; I170-L173 HydrophobicContact CG2-CB 4.04Å; I170-L173 HydrophobicContact CG2-CD1 4.09Å; I170-L216 HydrophobicContact CG2-CB 3.56Å; I170-L216 HydrophobicContact CG2-CD1 4.23Å; I170-L216 HydrophobicContact CG2-CG 4.4Å; I170-F217 HydrophobicContact CD1-CB 4.22Å; I170-F217 HydrophobicContact CD1-CD2 4.1Å; I170-M220 HydrophobicContact CD1-CB 4.12Å; I170-M220 HydrophobicContact CD1-CE 4.23Å; I170-M220 HydrophobicContact CD1-CG 4.49Å; I170-M220 HydrophobicContact CD1-SD 3.7Å; I170-M220 HydrophobicContact CG1-SD 3.78Å |
| 171 | E | 95.8 | Very high | 96.5 | Very high | 179 Ų | 179 | 65.5 Ų | 65.5 | 84% | 0.836 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 139.5 | 173.9 | -60.8 | -171 | 170.9 | 0 | 0 | 111.3 | Q169 L173 | Q169-E171 PolarHBondContact O-N 3.06Å; E171-L173 VanDerWaalsContact C-N 3.35Å; E171-L173 PolarHBondContact O-N 2.87Å |
| 172 | G | 94.1 | Very high | 96.5 | Very high | 75 Ų | 75 | 62 Ų | 62 | 77% | 0.773 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 173 | L | 96.6 | Very high | 96.5 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 10% | 0.099 | 34% | 0.344 | C | S | . | . | | | trans | -77.9 | 142.2 | 177.3 | -169.7 | 150.3 | 0 | 0 | 0 | 111.7 | L167 I170 E171 Q175 L178 Y181 D213 L216 | L167-L173 HydrophobicContact CD1-CD1 3.73Å; L167-L173 HydrophobicContact CG-CD1 4.09Å; I170-L173 HydrophobicContact CB-CB 4.23Å; I170-L173 HydrophobicContact CB-CD1 4.04Å; I170-L173 HydrophobicContact CD1-CD1 4.01Å; I170-L173 HydrophobicContact CG2-CB 4.04Å; I170-L173 HydrophobicContact CG2-CD1 4.09Å; E171-L173 VanDerWaalsContact C-N 3.35Å; E171-L173 PolarHBondContact O-N 2.87Å; L173-Q175 PolarHBondContact O-N 3.22Å; L173-L178 HydrophobicContact CD2-CB 4.08Å; L173-L178 HydrophobicContact CD2-CD1 3.93Å; L173-Y181 HydrophobicContact CD2-CD2 4.14Å; L173-Y181 HydrophobicContact CD2-CE2 4.26Å; L173-D213 WeakPolarHBondContact CA-OD1 3.41Å; L173-D213 HydrophobicContact CG-CB 4.25Å; L173-L216 HydrophobicContact CB-CD1 4.32Å |
| 174 | D | 95.2 | Very high | 96.6 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | | | trans | -63.9 | 103.6 | -179.6 | -178.5 | 3.6 | 0 | 0 | 0 | 112.7 | G176 M177 L178 D213 | D174-G176 PolarHBondContact O-N 2.84Å; D174-G176 WeakPolarHBondContact OD1-CA 3.41Å; D174-G176 PolarHBondContact OD1-N 3.27Å; D174-M177 HydrophobicContact CB-CB 4.24Å; D174-M177 PolarHBondContact O-N 2.93Å; D174-M177 VanDerWaalsContact O-N 3.08Å; D174-M177 WeakPolarHBondContact OD2-CG 3.4Å; D174-L178 PolarHBondContact O-N 2.9Å; D174-D213 PolarHBondContact N-OD1 2.8Å |
| 175 | Q | 95.4 | Very high | 96.6 | Very high | 133 Ų | 133 | 64.3 Ų | 64.3 | 62% | 0.621 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.9 | 178.1 | -173.7 | 58.7 | 45.8 | 0 | 0 | 113.7 | L173 L178 | L173-Q175 PolarHBondContact O-N 3.22Å; Q175-L178 VanDerWaalsContact NE2-CD2 3.27Å |
| 176 | G | 96.4 | Very high | 96.7 | Very high | 59 Ų | 59 | 64.3 Ų | 64.3 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -35.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D174 P179 | D174-G176 PolarHBondContact O-N 2.84Å; D174-G176 WeakPolarHBondContact OD1-CA 3.41Å; D174-G176 PolarHBondContact OD1-N 3.27Å; G176-P179 WeakPolarHBondContact O-CD 3.18Å |
| 177 | M | 96.1 | Very high | 96.8 | Very high | 66 Ų | 66 | 70 Ų | 70 | 33% | 0.325 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -20.7 | 178.8 | -70.1 | -69.7 | -73.1 | 0 | 0 | 113.6 | D174 P179 Q180 Y181 | D174-M177 HydrophobicContact CB-CB 4.24Å; D174-M177 PolarHBondContact O-N 2.93Å; D174-M177 VanDerWaalsContact O-N 3.08Å; D174-M177 WeakPolarHBondContact OD2-CG 3.4Å; M177-P179 VanDerWaalsContact C-N 3.32Å; M177-P179 VanDerWaalsContact O-N 3.15Å; M177-Q180 WeakPolarHBondContact O-CA 3.33Å; M177-Q180 WeakPolarHBondContact O-CB 3.33Å; M177-Q180 PolarHBondContact O-N 2.82Å; M177-Y181 HydrophobicContact CB-CD2 4.29Å; M177-Y181 HydrophobicContact CB-CE1 4.06Å; M177-Y181 HydrophobicContact CB-CE2 3.62Å; M177-Y181 VanDerWaalsContact CB-CZ 3.5Å; M177-Y181 HydrophobicContact CE-CE1 4Å; M177-Y181 PolarHBondContact O-N 3.26Å |
| 178 | L | 96.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.037 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -43 | -43.9 | 173.7 | 174.7 | 87 | 0 | 0 | 0 | 114.7 | L167 R168 L173 D174 Q175 Q180 Y181 C182 | L167-L178 HydrophobicContact CD2-CD1 3.82Å; L167-L178 HydrophobicContact CG-CD1 3.99Å; R168-L178 HydrophobicContact CG-CD1 4.06Å; R168-L178 HydrophobicContact CG-CD2 3.67Å; R168-L178 HydrophobicContact CG-CG 4.42Å; L173-L178 HydrophobicContact CD2-CB 4.08Å; L173-L178 HydrophobicContact CD2-CD1 3.93Å; D174-L178 PolarHBondContact O-N 2.9Å; Q175-L178 VanDerWaalsContact NE2-CD2 3.27Å; L178-Q180 VanDerWaalsContact C-N 3.34Å; L178-Q180 PolarHBondContact O-N 3.09Å; L178-Y181 PolarHBondContact O-N 3.3Å; L178-C182 WeakPolarHBondContact O-CB 3.39Å; L178-C182 PolarHBondContact O-N 3.35Å; L178-C182 PolarHBondContact O-SG 2.92Å |
| 179 | P | 97.4 | Very high | 96.8 | Very high | 75 Ų | 75 | 70.5 Ų | 70.5 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.5 | -36.2 | 178.2 | -20 | 34 | 0 | 0 | 0 | 112.8 | G176 M177 T183 | G176-P179 WeakPolarHBondContact O-CD 3.18Å; M177-P179 VanDerWaalsContact C-N 3.32Å; M177-P179 VanDerWaalsContact O-N 3.15Å; P179-T183 WeakPolarHBondContact O-CB 3.36Å; P179-T183 PolarHBondContact O-N 3.17Å; P179-T183 PolarHBondContact O-OG1 3.04Å |
| 180 | Q | 97.7 | Very high | 96.9 | Very high | 109 Ų | 109 | 65.1 Ų | 65.1 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.2 | -45.6 | 174.8 | -179.4 | 63 | 10.5 | 0 | 0 | 110.2 | M177 L178 C182 T183 T184 | M177-Q180 WeakPolarHBondContact O-CA 3.33Å; M177-Q180 WeakPolarHBondContact O-CB 3.33Å; M177-Q180 PolarHBondContact O-N 2.82Å; L178-Q180 VanDerWaalsContact C-N 3.34Å; L178-Q180 PolarHBondContact O-N 3.09Å; Q180-C182 PolarHBondContact O-N 2.62Å; Q180-T183 CarbonylContact O-C 3.49Å; Q180-T183 WeakPolarHBondContact O-CA 3.11Å; Q180-T183 WeakPolarHBondContact O-CB 3.26Å; Q180-T183 PolarHBondContact O-N 3.35Å; Q180-T184 PolarHBondContact O-N 3.45Å; Q180-T184 PolarHBondContact O-OG1 3.38Å |
| 181 | Y | 97.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 1% | 0.012 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.5 | -56.9 | -28 | 0 | 0 | 0 | 112.6 | L173 M177 L178 T183 T184 I185 M209 N210 D213 | L173-Y181 HydrophobicContact CD2-CD2 4.14Å; L173-Y181 HydrophobicContact CD2-CE2 4.26Å; M177-Y181 HydrophobicContact CB-CD2 4.29Å; M177-Y181 HydrophobicContact CB-CE1 4.06Å; M177-Y181 HydrophobicContact CB-CE2 3.62Å; M177-Y181 VanDerWaalsContact CB-CZ 3.5Å; M177-Y181 HydrophobicContact CE-CE1 4Å; M177-Y181 PolarHBondContact O-N 3.26Å; L178-Y181 PolarHBondContact O-N 3.3Å; Y181-T183 VanDerWaalsContact C-N 3.25Å; Y181-T183 PolarHBondContact O-N 3.32Å; Y181-T184 PolarHBondContact O-N 2.93Å; Y181-I185 VanDerWaalsContact O-CG1 3.31Å; Y181-I185 WeakPolarHBondContact O-CG1 3.41Å; Y181-I185 PolarHBondContact O-N 2.9Å; Y181-M209 HydrophobicContact CD1-CG 3.68Å; Y181-M209 HydrophobicContact CD2-CE 4.31Å; Y181-M209 HydrophobicContact CD2-CG 4.22Å; Y181-M209 HydrophobicContact CE1-CB 4Å; Y181-M209 HydrophobicContact CE1-CG 3.57Å; Y181-M209 HydrophobicContact CE2-CG 4.11Å; Y181-M209 HydrophobicContact CG-CE 4.05Å; Y181-M209 HydrophobicContact CG-CG 4.01Å; Y181-N210 PolarHBondContact OH-N 2.86Å; Y181-N210 PolarHBondContact OH-ND2 3.24Å; Y181-N210 VanDerWaalsContact OH-ND2 3.1Å; Y181-D213 HydrophobicContact CE2-CB 3.79Å; Y181-D213 WeakPolarHBondContact CE2-OD2 3.38Å; Y181-D213 PolarHBondContact OH-OD2 3.16Å |
| 182 | C | 97.9 | Very high | 97 | Very high | 14 Ų | 14 | 57 Ų | 57 | 10% | 0.095 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 172.1 | -68.4 | 0 | 0 | 0 | 0 | 111.9 | R168 L178 Q180 K186 | R168-C182 PolarHBondContact NH1-SG 3.46Å; R168-C182 VanDerWaalsContact NH1-SG 3.39Å; L178-C182 WeakPolarHBondContact O-CB 3.39Å; L178-C182 PolarHBondContact O-N 3.35Å; L178-C182 PolarHBondContact O-SG 2.92Å; Q180-C182 PolarHBondContact O-N 2.62Å; C182-K186 WeakPolarHBondContact O-CB 2.96Å; C182-K186 WeakPolarHBondContact O-CG 3.27Å; C182-K186 PolarHBondContact O-N 2.9Å |
| 183 | T | 98.1 | Very high | 97.1 | Very high | 80 Ų | 80 | 61.4 Ų | 61.4 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.4 | -41.7 | 176.3 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | P179 Q180 Y181 K186 K187 | P179-T183 WeakPolarHBondContact O-CB 3.36Å; P179-T183 PolarHBondContact O-N 3.17Å; P179-T183 PolarHBondContact O-OG1 3.04Å; Q180-T183 CarbonylContact O-C 3.49Å; Q180-T183 WeakPolarHBondContact O-CA 3.11Å; Q180-T183 WeakPolarHBondContact O-CB 3.26Å; Q180-T183 PolarHBondContact O-N 3.35Å; Y181-T183 VanDerWaalsContact C-N 3.25Å; Y181-T183 PolarHBondContact O-N 3.32Å; T183-K186 PolarHBondContact O-N 3.15Å; T183-K187 VanDerWaalsContact O-CB 3.26Å; T183-K187 WeakPolarHBondContact O-CB 3.31Å; T183-K187 PolarHBondContact O-N 3.22Å |
| 184 | T | 97.9 | Very high | 97.1 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 173.8 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | Q180 Y181 K186 K187 A188 E206 M207 | Q180-T184 PolarHBondContact O-N 3.45Å; Q180-T184 PolarHBondContact O-OG1 3.38Å; Y181-T184 PolarHBondContact O-N 2.93Å; T184-K186 VanDerWaalsContact C-N 3.27Å; T184-K186 PolarHBondContact O-N 3.48Å; T184-K187 PolarHBondContact O-N 2.95Å; T184-A188 WeakPolarHBondContact O-CB 3.46Å; T184-A188 PolarHBondContact O-N 2.88Å; T184-E206 WeakPolarHBondContact CG2-O 3.29Å; T184-M207 HydrophobicContact CG2-CE 3.48Å; T184-M207 VanDerWaalsContact CG2-CE 3.48Å |
| 185 | I | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.9 | -43.7 | 175.8 | -72 | 169.2 | 0 | 0 | 0 | 111 | V160 V163 C164 L167 Y181 N189 I190 M207 | V160-I185 HydrophobicContact CG1-CG2 3.8Å; V163-I185 HydrophobicContact CB-CG2 4.48Å; V163-I185 HydrophobicContact CG1-CD1 4.23Å; V163-I185 HydrophobicContact CG1-CG2 3.99Å; C164-I185 VanDerWaalsContact SG-CG2 3.54Å; L167-I185 HydrophobicContact CB-CD1 4.43Å; L167-I185 HydrophobicContact CD1-CD1 4.49Å; L167-I185 HydrophobicContact CD2-CD1 3.82Å; L167-I185 HydrophobicContact CG-CD1 4.48Å; Y181-I185 VanDerWaalsContact O-CG1 3.31Å; Y181-I185 WeakPolarHBondContact O-CG1 3.41Å; Y181-I185 PolarHBondContact O-N 2.9Å; I185-N189 PolarHBondContact O-N 3.45Å; I185-I190 HydrophobicContact CG2-CB 4.27Å; I185-I190 PolarHBondContact O-N 3.38Å; I185-M207 HydrophobicContact CB-CE 4.46Å; I185-M207 HydrophobicContact CD1-SD 4.39Å; I185-M207 HydrophobicContact CG1-CE 3.56Å; I185-M207 HydrophobicContact CG1-SD 3.76Å |
| 186 | K | 97.9 | Very high | 97.2 | Very high | 109 Ų | 109 | 54.5 Ų | 54.5 | 47% | 0.474 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.9 | -42.1 | 177.7 | -72.9 | -177.3 | 174.9 | -153.1 | 0 | 113.6 | V160 D161 C182 T183 T184 N189 | V160-K186 HydrophobicContact CG1-CB 4.38Å; V160-K186 HydrophobicContact CG1-CG 3.73Å; D161-K186 VanDerWaalsContact OD1-CE 3.22Å; D161-K186 WeakPolarHBondContact OD1-CE 3.48Å; D161-K186 IonicContact OD1-NZ 2.62Å; D161-K186 PolarHBondContact OD1-NZ 3Å; C182-K186 WeakPolarHBondContact O-CB 2.96Å; C182-K186 WeakPolarHBondContact O-CG 3.27Å; C182-K186 PolarHBondContact O-N 2.9Å; T183-K186 PolarHBondContact O-N 3.15Å; T184-K186 VanDerWaalsContact C-N 3.27Å; T184-K186 PolarHBondContact O-N 3.48Å; K186-N189 PolarHBondContact O-N 3.35Å |
| 187 | K | 97.9 | Very high | 97.2 | Very high | 187 Ų | 187 | 59.4 Ų | 59.4 | 81% | 0.813 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 179.2 | -174.5 | -172.4 | 175.2 | -166.9 | 0 | 112.4 | T183 T184 N189 | T183-K187 VanDerWaalsContact O-CB 3.26Å; T183-K187 WeakPolarHBondContact O-CB 3.31Å; T183-K187 PolarHBondContact O-N 3.22Å; T184-K187 PolarHBondContact O-N 2.95Å; K187-N189 VanDerWaalsContact C-N 3.31Å |
| 188 | A | 97.1 | Very high | 97.2 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T184 I190 E206 | T184-A188 WeakPolarHBondContact O-CB 3.46Å; T184-A188 PolarHBondContact O-N 2.88Å; A188-I190 HydrophobicContact CB-CD1 3.7Å; A188-I190 HydrophobicContact CB-CG1 3.81Å; A188-I190 PolarHBondContact O-N 3.08Å; A188-E206 HydrophobicContact CB-CG 3.86Å; A188-E206 WeakPolarHBondContact CB-OE1 3.34Å |
| 189 | N | 97.2 | Very high | 97.2 | Very high | 98 Ų | 98 | 61 Ų | 61 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 39.4 | -177.7 | -169.8 | 22.7 | 0 | 0 | 0 | 113.5 | V160 I185 K186 K187 N191 | V160-N189 WeakPolarHBondContact CG2-OD1 3.48Å; I185-N189 PolarHBondContact O-N 3.45Å; K186-N189 PolarHBondContact O-N 3.35Å; K187-N189 VanDerWaalsContact C-N 3.31Å; N189-N191 VanDerWaalsContact C-N 3.34Å; N189-N191 PolarHBondContact O-N 3.43Å; N189-N191 PolarHBondContact O-ND2 2.82Å |
| 190 | I | 97.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | | | trans | -75.2 | 89.9 | -178 | -66.7 | 166.4 | 0 | 0 | 0 | 108.6 | I185 A188 L195 L203 E206 M207 | I185-I190 HydrophobicContact CG2-CB 4.27Å; I185-I190 PolarHBondContact O-N 3.38Å; A188-I190 HydrophobicContact CB-CD1 3.7Å; A188-I190 HydrophobicContact CB-CG1 3.81Å; A188-I190 PolarHBondContact O-N 3.08Å; I190-L195 HydrophobicContact CG2-CD1 4.15Å; I190-L195 HydrophobicContact CG2-CD2 3.52Å; I190-L195 HydrophobicContact CG2-CG 3.64Å; I190-L203 HydrophobicContact CD1-CD1 4.09Å; I190-L203 HydrophobicContact CG2-CD1 4.36Å; I190-E206 HydrophobicContact CD1-CG 4.11Å; I190-M207 HydrophobicContact CD1-CE 3.4Å; I190-M207 VanDerWaalsContact CD1-CE 3.4Å; I190-M207 HydrophobicContact CD1-CG 4.45Å; I190-M207 HydrophobicContact CD1-SD 3.89Å |
| 191 | N | 97.1 | Very high | 97.1 | Very high | 35 Ų | 35 | 57 Ų | 57 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | | | trans | -95.9 | 175 | 174.4 | 63.3 | 77.1 | 0 | 0 | 0 | 111.2 | V160 N189 R193 V194 L195 | V160-N191 HydrophobicContact CG2-CB 3.88Å; N189-N191 VanDerWaalsContact C-N 3.34Å; N189-N191 PolarHBondContact O-N 3.43Å; N189-N191 PolarHBondContact O-ND2 2.82Å; N191-R193 VanDerWaalsContact C-N 3.34Å; N191-R193 PolarHBondContact O-N 2.7Å; N191-R193 WeakPolarHBondContact OD1-CB 3.35Å; N191-R193 PolarHBondContact OD1-N 3.19Å; N191-V194 WeakPolarHBondContact O-CB 3.1Å; N191-V194 PolarHBondContact O-N 3.15Å; N191-V194 VanDerWaalsContact O-N 3.15Å; N191-V194 PolarHBondContact OD1-N 3Å; N191-L195 PolarHBondContact O-N 3.31Å |
| 192 | G | 96.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55 | -40.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L155 M158 V194 L195 A196 | L155-G192 CarbonylContact O-C 3.32Å; L155-G192 VanDerWaalsContact O-C 3.32Å; L155-G192 WeakPolarHBondContact O-CA 3.45Å; M158-G192 WeakPolarHBondContact O-CA 3.42Å; M158-G192 PolarHBondContact O-N 3.37Å; G192-V194 PolarHBondContact O-N 3.5Å; G192-L195 CarbonylContact O-C 3.56Å; G192-L195 PolarHBondContact O-N 3.41Å; G192-A196 WeakPolarHBondContact O-CB 3.21Å; G192-A196 PolarHBondContact O-N 3.31Å |
| 193 | R | 95.8 | Very high | 97 | Very high | 168 Ų | 168 | 62 Ų | 62 | 63% | 0.634 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.5 | -39.4 | 178.2 | -56.8 | -178.2 | -174.6 | -90 | -3.1 | 111.6 | S156 N191 A196 Q197 | S156-R193 WeakPolarHBondContact O-CG 3.47Å; N191-R193 VanDerWaalsContact C-N 3.34Å; N191-R193 PolarHBondContact O-N 2.7Å; N191-R193 WeakPolarHBondContact OD1-CB 3.35Å; N191-R193 PolarHBondContact OD1-N 3.19Å; R193-A196 PolarHBondContact O-N 2.75Å; R193-Q197 PolarHBondContact O-N 3.37Å |
| 194 | V | 97.4 | Very high | 97 | Very high | 55 Ų | 55 | 62.5 Ų | 62.5 | 33% | 0.333 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 172.7 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | N191 G192 A196 Q197 C198 | N191-V194 WeakPolarHBondContact O-CB 3.1Å; N191-V194 PolarHBondContact O-N 3.15Å; N191-V194 VanDerWaalsContact O-N 3.15Å; N191-V194 PolarHBondContact OD1-N 3Å; G192-V194 PolarHBondContact O-N 3.5Å; V194-A196 VanDerWaalsContact C-N 3.29Å; V194-A196 PolarHBondContact O-N 2.55Å; V194-Q197 PolarHBondContact O-N 2.94Å; V194-Q197 VanDerWaalsContact O-N 3.16Å; V194-C198 HydrophobicContact CG1-CB 4.19Å; V194-C198 WeakPolarHBondContact O-CB 3.41Å; V194-C198 PolarHBondContact O-N 2.97Å; V194-C198 PolarHBondContact O-SG 2.86Å |
| 195 | L | 97.1 | Very high | 97 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.7 | -25.4 | 179.5 | -71.6 | -176.5 | 0 | 0 | 0 | 114.6 | L155 V163 I190 N191 G192 L203 F217 V221 R225 | L155-L195 HydrophobicContact CD1-CB 4Å; L155-L195 HydrophobicContact CD2-CB 4.3Å; L155-L195 HydrophobicContact CG-CB 4.32Å; V163-L195 HydrophobicContact CB-CD1 4.38Å; V163-L195 HydrophobicContact CG1-CD1 3.48Å; V163-L195 VanDerWaalsContact CG1-CD1 3.48Å; V163-L195 HydrophobicContact CG2-CD1 3.9Å; I190-L195 HydrophobicContact CG2-CD1 4.15Å; I190-L195 HydrophobicContact CG2-CD2 3.52Å; I190-L195 HydrophobicContact CG2-CG 3.64Å; N191-L195 PolarHBondContact O-N 3.31Å; G192-L195 CarbonylContact O-C 3.56Å; G192-L195 PolarHBondContact O-N 3.41Å; L195-L203 HydrophobicContact CD2-CD1 3.83Å; L195-L203 HydrophobicContact CD2-CD2 3.65Å; L195-L203 HydrophobicContact CD2-CG 4.41Å; L195-F217 HydrophobicContact CD1-CZ 4.18Å; L195-F217 HydrophobicContact CD2-CE1 4.42Å; L195-F217 HydrophobicContact CD2-CZ 3.96Å; L195-V221 HydrophobicContact CB-CG1 4.47Å; L195-V221 HydrophobicContact CD1-CG2 4.22Å; L195-V221 HydrophobicContact CD2-CG1 4.46Å; L195-V221 HydrophobicContact CD2-CG2 4.03Å; L195-V221 WeakPolarHBondContact O-CG1 3.41Å; L195-R225 PolarHBondContact O-NE 3.09Å; L195-R225 PolarHBondContact O-NH2 3.3Å |
| 196 | A | 96 | Very high | 96.9 | Very high | 19 Ų | 19 | 74.4 Ų | 74.4 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.2 | -33.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L155 G192 R193 V194 R225 | L155-A196 HydrophobicContact CD2-CB 4.17Å; L155-A196 HydrophobicContact CG-CB 4.27Å; G192-A196 WeakPolarHBondContact O-CB 3.21Å; G192-A196 PolarHBondContact O-N 3.31Å; R193-A196 PolarHBondContact O-N 2.75Å; V194-A196 VanDerWaalsContact C-N 3.29Å; V194-A196 PolarHBondContact O-N 2.55Å; A196-R225 VanDerWaalsContact O-CZ 3.27Å; A196-R225 PolarHBondContact O-NE 3.45Å; A196-R225 VanDerWaalsContact O-NE 3.16Å |
| 197 | Q | 95.3 | Very high | 96.8 | Very high | 162 Ų | 162 | 69.2 Ų | 69.2 | 76% | 0.757 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -115.7 | -22.1 | -165.8 | -62.3 | -178.6 | -0 | 0 | 0 | 115.4 | R193 V194 | R193-Q197 PolarHBondContact O-N 3.37Å; V194-Q197 PolarHBondContact O-N 2.94Å; V194-Q197 VanDerWaalsContact O-N 3.16Å |
| 198 | C | 96.1 | Very high | 96.7 | Very high | 28 Ų | 28 | 64 Ų | 64 | 19% | 0.189 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -65.5 | 154.6 | -172.2 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | V194 I200 R225 | V194-C198 HydrophobicContact CG1-CB 4.19Å; V194-C198 WeakPolarHBondContact O-CB 3.41Å; V194-C198 PolarHBondContact O-N 2.97Å; V194-C198 PolarHBondContact O-SG 2.86Å; C198-I200 PolarHBondContact O-N 3.45Å; C198-R225 PolarHBondContact O-NH1 3.25Å; C198-R225 VanDerWaalsContact O-NH1 3.12Å; C198-R225 PolarHBondContact O-NH2 2.99Å; C198-R225 PolarHBondContact SG-NH2 3.31Å; C198-R225 VanDerWaalsContact SG-NH2 3.36Å |
| 199 | N | 97.4 | Very high | 96.7 | Very high | 77 Ų | 77 | 63.5 Ų | 63.5 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | | | trans | -66.8 | 128.4 | 167.6 | -177.9 | -4.8 | 0 | 0 | 0 | 109.6 | D201 E202 L203 | N199-D201 VanDerWaalsContact C-N 3.27Å; N199-D201 PolarHBondContact O-N 2.98Å; N199-D201 PolarHBondContact OD1-N 3.12Å; N199-D201 VanDerWaalsContact OD1-N 3.13Å; N199-E202 HydrophobicContact CB-CB 4.14Å; N199-E202 HydrophobicContact CB-CG 4.14Å; N199-E202 PolarHBondContact ND2-OE1 3.5Å; N199-E202 PolarHBondContact O-N 2.94Å; N199-L203 WeakPolarHBondContact O-CB 3.34Å; N199-L203 PolarHBondContact O-N 3.04Å |
| 200 | I | 97.1 | Very high | 96.6 | Very high | 18 Ų | 18 | 62.2 Ų | 62.2 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.8 | -30.6 | -176 | -57.2 | -63.9 | 0 | 0 | 0 | 111.6 | C198 K204 W214 R218 V221 L222 | C198-I200 PolarHBondContact O-N 3.45Å; I200-K204 PolarHBondContact O-N 2.6Å; I200-W214 HydrophobicContact CG2-CH2 4.13Å; I200-W214 HydrophobicContact CG2-CZ2 3.7Å; I200-W214 WeakPolarHBondContact O-CH2 3.34Å; I200-W214 WeakPolarHBondContact O-CZ2 3.42Å; I200-R218 HydrophobicContact CG2-CG 3.87Å; I200-R218 VanDerWaalsContact CG2-CZ 3.47Å; I200-R218 VanDerWaalsContact CG2-NH1 3.29Å; I200-V221 HydrophobicContact CD1-CG1 4.22Å; I200-L222 HydrophobicContact CD1-CD2 4.16Å; I200-L222 HydrophobicContact CG1-CD2 4.31Å |
| 201 | D | 96.5 | Very high | 96.6 | Very high | 84 Ų | 84 | 69.3 Ų | 69.3 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -85.6 | -11.4 | -179.1 | -59.8 | -33.4 | 0 | 0 | 0 | 113 | N199 K205 R218 | N199-D201 VanDerWaalsContact C-N 3.27Å; N199-D201 PolarHBondContact O-N 2.98Å; N199-D201 PolarHBondContact OD1-N 3.12Å; N199-D201 VanDerWaalsContact OD1-N 3.13Å; D201-K205 WeakPolarHBondContact O-CD 3.15Å; D201-K205 VanDerWaalsContact O-CE 3.26Å; D201-K205 WeakPolarHBondContact O-CE 3.14Å; D201-K205 WeakPolarHBondContact O-CG 3.27Å; D201-R218 IonicContact OD1-NH1 3.95Å; D201-R218 PolarHBondContact OD1-NH1 3.46Å; D201-R218 VanDerWaalsContact OD1-NH1 3.1Å |
| 202 | E | 96.9 | Very high | 96.6 | Very high | 113 Ų | 113 | 69.6 Ų | 69.6 | 53% | 0.528 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -84.8 | -45.8 | 164.3 | -73.6 | 156.8 | -146.6 | 0 | 0 | 110.3 | N199 K204 K205 E206 | N199-E202 HydrophobicContact CB-CB 4.14Å; N199-E202 HydrophobicContact CB-CG 4.14Å; N199-E202 PolarHBondContact ND2-OE1 3.5Å; N199-E202 PolarHBondContact O-N 2.94Å; E202-K204 PolarHBondContact O-N 2.88Å; E202-K205 WeakPolarHBondContact O-CB 3.42Å; E202-K205 PolarHBondContact O-N 3.03Å; E202-E206 PolarHBondContact O-N 3.47Å |
| 203 | L | 97.2 | Very high | 96.7 | Very high | 8 Ų | 8 | 70 Ų | 70 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.4 | -36.8 | 172.6 | -177.3 | 67 | 0 | 0 | 0 | 111.8 | I190 L195 N199 K205 E206 M207 W214 F217 | I190-L203 HydrophobicContact CD1-CD1 4.09Å; I190-L203 HydrophobicContact CG2-CD1 4.36Å; L195-L203 HydrophobicContact CD2-CD1 3.83Å; L195-L203 HydrophobicContact CD2-CD2 3.65Å; L195-L203 HydrophobicContact CD2-CG 4.41Å; N199-L203 WeakPolarHBondContact O-CB 3.34Å; N199-L203 PolarHBondContact O-N 3.04Å; L203-K205 VanDerWaalsContact C-N 3.34Å; L203-K205 PolarHBondContact O-N 3.1Å; L203-E206 PolarHBondContact O-N 2.85Å; L203-M207 HydrophobicContact CD1-CG 3.74Å; L203-M207 HydrophobicContact CD1-SD 4.3Å; L203-M207 HydrophobicContact CG-CG 4.03Å; L203-M207 VanDerWaalsContact O-CB 3.29Å; L203-M207 WeakPolarHBondContact O-CB 3.32Å; L203-M207 WeakPolarHBondContact O-CG 3.29Å; L203-M207 PolarHBondContact O-N 3.16Å; L203-W214 HydrophobicContact CB-CH2 4.08Å; L203-W214 HydrophobicContact CD2-CH2 4.04Å; L203-W214 HydrophobicContact CD2-CZ3 4.33Å; L203-W214 HydrophobicContact CG-CH2 3.9Å; L203-W214 HydrophobicContact CG-CZ3 4.02Å; L203-F217 HydrophobicContact CD1-CE1 4.46Å; L203-F217 HydrophobicContact CD2-CE1 4.01Å; L203-F217 HydrophobicContact CG-CE1 4.33Å |
| 204 | K | 97.3 | Very high | 96.8 | Very high | 91 Ų | 91 | 62.1 Ų | 62.1 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 173.6 | -171.4 | 174.7 | -174.7 | -178.6 | 0 | 112.9 | I200 E202 A208 W214 | I200-K204 PolarHBondContact O-N 2.6Å; E202-K204 PolarHBondContact O-N 2.88Å; K204-A208 PolarHBondContact O-N 2.84Å; K204-W214 VanDerWaalsContact CA-CH2 3.48Å; K204-W214 HydrophobicContact CB-CD2 4.16Å; K204-W214 HydrophobicContact CB-CE3 4.42Å; K204-W214 HydrophobicContact CB-CH2 3.81Å; K204-W214 HydrophobicContact CB-CZ2 3.49Å; K204-W214 VanDerWaalsContact CB-CZ2 3.49Å; K204-W214 HydrophobicContact CB-CZ3 4.26Å; K204-W214 HydrophobicContact CD-CD2 4.42Å; K204-W214 HydrophobicContact CD-CG 4.46Å; K204-W214 HydrophobicContact CD-CZ2 4.43Å; K204-W214 HydrophobicContact CG-CD2 3.81Å; K204-W214 HydrophobicContact CG-CE3 4.37Å; K204-W214 HydrophobicContact CG-CG 4.17Å; K204-W214 HydrophobicContact CG-CZ2 3.97Å; K204-W214 VanDerWaalsContact N-CH2 3.33Å |
| 205 | K | 96.7 | Very high | 96.8 | Very high | 163 Ų | 163 | 63.5 Ų | 63.5 | 71% | 0.709 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.8 | -43.6 | -178.1 | -63 | 165.1 | -170.2 | 166.4 | 0 | 110.5 | D201 E202 L203 | D201-K205 WeakPolarHBondContact O-CD 3.15Å; D201-K205 VanDerWaalsContact O-CE 3.26Å; D201-K205 WeakPolarHBondContact O-CE 3.14Å; D201-K205 WeakPolarHBondContact O-CG 3.27Å; E202-K205 WeakPolarHBondContact O-CB 3.42Å; E202-K205 PolarHBondContact O-N 3.03Å; L203-K205 VanDerWaalsContact C-N 3.34Å; L203-K205 PolarHBondContact O-N 3.1Å |
| 206 | E | 97.2 | Very high | 96.9 | Very high | 109 Ų | 109 | 66.4 Ų | 66.4 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 179.5 | -167.5 | 60.2 | -150.8 | 0 | 0 | 112 | T184 A188 I190 E202 L203 | T184-E206 WeakPolarHBondContact CG2-O 3.29Å; A188-E206 HydrophobicContact CB-CG 3.86Å; A188-E206 WeakPolarHBondContact CB-OE1 3.34Å; I190-E206 HydrophobicContact CD1-CG 4.11Å; E202-E206 PolarHBondContact O-N 3.47Å; L203-E206 PolarHBondContact O-N 2.85Å |
| 207 | M | 96.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -75.2 | -27.2 | -178.5 | -65.8 | -85.1 | 65.5 | 0 | 0 | 114.2 | T184 I185 I190 L203 M209 W214 F217 | T184-M207 HydrophobicContact CG2-CE 3.48Å; T184-M207 VanDerWaalsContact CG2-CE 3.48Å; I185-M207 HydrophobicContact CB-CE 4.46Å; I185-M207 HydrophobicContact CD1-SD 4.39Å; I185-M207 HydrophobicContact CG1-CE 3.56Å; I185-M207 HydrophobicContact CG1-SD 3.76Å; I190-M207 HydrophobicContact CD1-CE 3.4Å; I190-M207 VanDerWaalsContact CD1-CE 3.4Å; I190-M207 HydrophobicContact CD1-CG 4.45Å; I190-M207 HydrophobicContact CD1-SD 3.89Å; L203-M207 HydrophobicContact CD1-CG 3.74Å; L203-M207 HydrophobicContact CD1-SD 4.3Å; L203-M207 HydrophobicContact CG-CG 4.03Å; L203-M207 VanDerWaalsContact O-CB 3.29Å; L203-M207 WeakPolarHBondContact O-CB 3.32Å; L203-M207 WeakPolarHBondContact O-CG 3.29Å; L203-M207 PolarHBondContact O-N 3.16Å; M207-M209 HydrophobicContact CB-CE 4.17Å; M207-M209 HydrophobicContact CB-CG 4.07Å; M207-M209 HydrophobicContact CB-SD 3.99Å; M207-M209 HydrophobicContact CG-CE 4.36Å; M207-M209 PolarHBondContact O-N 2.96Å; M207-M209 HydrophobicContact SD-CE 3.83Å; M207-W214 HydrophobicContact CB-CE3 4.42Å; M207-W214 HydrophobicContact CB-CZ3 4.27Å; M207-W214 HydrophobicContact CG-CZ3 4.24Å; M207-F217 HydrophobicContact CG-CD1 4.48Å; M207-F217 HydrophobicContact CG-CE1 3.91Å; M207-F217 HydrophobicContact SD-CD1 4.45Å; M207-F217 HydrophobicContact SD-CE1 3.63Å; M207-F217 HydrophobicContact SD-CZ 3.95Å |
| 208 | A | 95.1 | Very high | 97.1 | Very high | 78 Ų | 78 | 61.5 Ų | 61.5 | 65% | 0.645 | 32% | 0.315 | S | S | * | . | | | trans | 49.1 | 32.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K204 | K204-A208 PolarHBondContact O-N 2.84Š|
| 209 | M | 96.5 | Very high | 97.1 | Very high | 21 Ų | 21 | 63.6 Ų | 63.6 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | | | trans | -73.6 | 154.3 | -178.8 | -74 | 165.4 | 175.5 | 0 | 0 | 112.5 | L167 Y181 M207 D213 W214 F217 | L167-M209 HydrophobicContact CD1-CE 3.76Å; Y181-M209 HydrophobicContact CD1-CG 3.68Å; Y181-M209 HydrophobicContact CD2-CE 4.31Å; Y181-M209 HydrophobicContact CD2-CG 4.22Å; Y181-M209 HydrophobicContact CE1-CB 4Å; Y181-M209 HydrophobicContact CE1-CG 3.57Å; Y181-M209 HydrophobicContact CE2-CG 4.11Å; Y181-M209 HydrophobicContact CG-CE 4.05Å; Y181-M209 HydrophobicContact CG-CG 4.01Å; M207-M209 HydrophobicContact CB-CE 4.17Å; M207-M209 HydrophobicContact CB-CG 4.07Å; M207-M209 HydrophobicContact CB-SD 3.99Å; M207-M209 HydrophobicContact CG-CE 4.36Å; M207-M209 PolarHBondContact O-N 2.96Å; M207-M209 HydrophobicContact SD-CE 3.83Å; M209-D213 HydrophobicContact CB-CB 4.25Å; M209-W214 HydrophobicContact CB-CB 3.9Å; M209-W214 HydrophobicContact SD-CE3 4.05Å; M209-F217 HydrophobicContact CE-CB 4.24Å; M209-F217 HydrophobicContact CE-CD1 3.8Å; M209-F217 HydrophobicContact CE-CD2 4.33Å; M209-F217 HydrophobicContact CE-CE1 4.18Å; M209-F217 HydrophobicContact CE-CG 3.87Å; M209-F217 HydrophobicContact SD-CB 3.85Å; M209-F217 HydrophobicContact SD-CD1 3.73Å; M209-F217 HydrophobicContact SD-CG 3.95Å |
| 210 | N | 96.3 | Very high | 97.1 | Very high | 71 Ų | 71 | 61 Ų | 61 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | | | trans | -53.3 | 154.2 | 165 | -63.1 | -42.1 | 0 | 0 | 0 | 110.6 | Y181 G212 D213 W214 | Y181-N210 PolarHBondContact OH-N 2.86Å; Y181-N210 PolarHBondContact OH-ND2 3.24Å; Y181-N210 VanDerWaalsContact OH-ND2 3.1Å; N210-G212 VanDerWaalsContact C-N 3.32Å; N210-G212 PolarHBondContact O-N 3.36Å; N210-D213 HydrophobicContact CB-CB 4.33Å; N210-D213 WeakPolarHBondContact CB-OD2 3.14Å; N210-D213 PolarHBondContact ND2-OD2 2.79Å; N210-D213 PolarHBondContact O-N 2.75Å; N210-W214 VanDerWaalsContact O-CB 3.24Å; N210-W214 WeakPolarHBondContact O-CB 3.34Å; N210-W214 PolarHBondContact O-N 3.36Å |
| 211 | F | 97.2 | Very high | 97.1 | Very high | 154 Ų | 154 | 60.2 Ų | 60.2 | 68% | 0.675 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -54.6 | -44.1 | -177.9 | 179.4 | -96.3 | 0 | 0 | 0 | 113.5 | H215 | F211-H215 AromaticContact CE1-CD2 3.93Å; F211-H215 AromaticContact CE2-CD2 3.72Å; F211-H215 AromaticContact CE2-NE2 3.55Å; F211-H215 AromaticContact CZ-CD2 3.62Å; F211-H215 AromaticContact CZ-NE2 3.53Å; F211-H215 PolarHBondContact O-CD2 3.27Å; F211-H215 VanDerWaalsContact O-CD2 3.32Å; F211-H215 PolarHBondContact O-N 3.48Å |
| 212 | G | 97.1 | Very high | 97.1 | Very high | 41 Ų | 41 | 59.8 Ų | 59.8 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.7 | -57.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N210 W214 H215 L216 | N210-G212 VanDerWaalsContact C-N 3.32Å; N210-G212 PolarHBondContact O-N 3.36Å; G212-W214 PolarHBondContact O-N 3.01Å; G212-H215 WeakPolarHBondContact O-CA 3.49Å; G212-H215 PolarHBondContact O-N 3.27Å; G212-L216 PolarHBondContact O-N 3.3Å |
| 213 | D | 97.7 | Very high | 97 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -53.2 | -42.6 | 178.5 | -59.2 | -34.5 | 0 | 0 | 0 | 112.2 | L173 D174 Y181 M209 N210 H215 L216 F217 | L173-D213 WeakPolarHBondContact CA-OD1 3.41Å; L173-D213 HydrophobicContact CG-CB 4.25Å; D174-D213 PolarHBondContact N-OD1 2.8Å; Y181-D213 HydrophobicContact CE2-CB 3.79Å; Y181-D213 WeakPolarHBondContact CE2-OD2 3.38Å; Y181-D213 PolarHBondContact OH-OD2 3.16Å; M209-D213 HydrophobicContact CB-CB 4.25Å; N210-D213 HydrophobicContact CB-CB 4.33Å; N210-D213 WeakPolarHBondContact CB-OD2 3.14Å; N210-D213 PolarHBondContact ND2-OD2 2.79Å; N210-D213 PolarHBondContact O-N 2.75Å; D213-H215 PolarHBondContact O-N 3.28Å; D213-L216 PolarHBondContact O-N 3.47Å; D213-F217 WeakPolarHBondContact O-CB 3.21Å; D213-F217 PolarHBondContact O-N 3.49Å |
| 214 | W | 97.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 1% | 0.011 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 175.3 | 172 | -107.1 | 0 | 0 | 0 | 112.2 | I200 L203 K204 M207 M209 N210 G212 F217 R218 | I200-W214 HydrophobicContact CG2-CH2 4.13Å; I200-W214 HydrophobicContact CG2-CZ2 3.7Å; I200-W214 WeakPolarHBondContact O-CH2 3.34Å; I200-W214 WeakPolarHBondContact O-CZ2 3.42Å; L203-W214 HydrophobicContact CB-CH2 4.08Å; L203-W214 HydrophobicContact CD2-CH2 4.04Å; L203-W214 HydrophobicContact CD2-CZ3 4.33Å; L203-W214 HydrophobicContact CG-CH2 3.9Å; L203-W214 HydrophobicContact CG-CZ3 4.02Å; K204-W214 VanDerWaalsContact CA-CH2 3.48Å; K204-W214 HydrophobicContact CB-CD2 4.16Å; K204-W214 HydrophobicContact CB-CE3 4.42Å; K204-W214 HydrophobicContact CB-CH2 3.81Å; K204-W214 HydrophobicContact CB-CZ2 3.49Å; K204-W214 VanDerWaalsContact CB-CZ2 3.49Å; K204-W214 HydrophobicContact CB-CZ3 4.26Å; K204-W214 HydrophobicContact CD-CD2 4.42Å; K204-W214 HydrophobicContact CD-CG 4.46Å; K204-W214 HydrophobicContact CD-CZ2 4.43Å; K204-W214 HydrophobicContact CG-CD2 3.81Å; K204-W214 HydrophobicContact CG-CE3 4.37Å; K204-W214 HydrophobicContact CG-CG 4.17Å; K204-W214 HydrophobicContact CG-CZ2 3.97Å; K204-W214 VanDerWaalsContact N-CH2 3.33Å; M207-W214 HydrophobicContact CB-CE3 4.42Å; M207-W214 HydrophobicContact CB-CZ3 4.27Å; M207-W214 HydrophobicContact CG-CZ3 4.24Å; M209-W214 HydrophobicContact CB-CB 3.9Å; M209-W214 HydrophobicContact SD-CE3 4.05Å; N210-W214 VanDerWaalsContact O-CB 3.24Å; N210-W214 WeakPolarHBondContact O-CB 3.34Å; N210-W214 PolarHBondContact O-N 3.36Å; G212-W214 PolarHBondContact O-N 3.01Å; W214-F217 HydrophobicContact CE3-CD1 4.18Å; W214-F217 AromaticContact CZ3-CD1 3.85Å; W214-F217 HydrophobicContact CZ3-CD1 3.85Å; W214-F217 HydrophobicContact CZ3-CE1 4.29Å; W214-R218 HydrophobicContact CZ2-CB 4.04Å; W214-R218 HydrophobicContact CZ2-CG 4.28Å; W214-R218 WeakPolarHBondContact O-CB 3.32Å; W214-R218 PolarHBondContact O-N 3.06Å |
| 215 | H | 98.1 | Very high | 96.7 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 39% | 0.389 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 178.8 | -94.4 | -80.9 | 0 | 0 | 0 | 111.9 | F211 G212 D213 R218 S219 | F211-H215 AromaticContact CE1-CD2 3.93Å; F211-H215 AromaticContact CE2-CD2 3.72Å; F211-H215 AromaticContact CE2-NE2 3.55Å; F211-H215 AromaticContact CZ-CD2 3.62Å; F211-H215 AromaticContact CZ-NE2 3.53Å; F211-H215 PolarHBondContact O-CD2 3.27Å; F211-H215 VanDerWaalsContact O-CD2 3.32Å; F211-H215 PolarHBondContact O-N 3.48Å; G212-H215 WeakPolarHBondContact O-CA 3.49Å; G212-H215 PolarHBondContact O-N 3.27Å; D213-H215 PolarHBondContact O-N 3.28Å; H215-R218 PolarHBondContact O-N 2.9Å; H215-S219 PolarHBondContact O-N 3.02Å; H215-S219 PolarHBondContact O-OG 3.25Å; H215-S219 VanDerWaalsContact O-OG 3.09Å |
| 216 | L | 98.1 | Very high | 96.5 | Very high | 62 Ų | 62 | 54.4 Ų | 54.4 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 175.7 | -60.5 | 170.2 | 0 | 0 | 0 | 111.7 | I170 L173 G212 D213 S219 M220 | I170-L216 HydrophobicContact CG2-CB 3.56Å; I170-L216 HydrophobicContact CG2-CD1 4.23Å; I170-L216 HydrophobicContact CG2-CG 4.4Å; L173-L216 HydrophobicContact CB-CD1 4.32Å; G212-L216 PolarHBondContact O-N 3.3Å; D213-L216 PolarHBondContact O-N 3.47Å; L216-S219 PolarHBondContact O-N 3.45Å; L216-M220 PolarHBondContact O-N 3.21Å; L216-M220 VanDerWaalsContact O-N 3.09Å |
| 217 | F | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 176.4 | -179.3 | -114.8 | 0 | 0 | 0 | 112.6 | L167 I170 L195 L203 M207 M209 D213 W214 S219 M220 V221 | L167-F217 HydrophobicContact CD1-CB 4.4Å; L167-F217 HydrophobicContact CD1-CD2 3.43Å; L167-F217 VanDerWaalsContact CD1-CD2 3.43Å; L167-F217 HydrophobicContact CD1-CE2 3.9Å; L167-F217 HydrophobicContact CD1-CG 4.09Å; I170-F217 HydrophobicContact CD1-CB 4.22Å; I170-F217 HydrophobicContact CD1-CD2 4.1Å; L195-F217 HydrophobicContact CD1-CZ 4.18Å; L195-F217 HydrophobicContact CD2-CE1 4.42Å; L195-F217 HydrophobicContact CD2-CZ 3.96Å; L203-F217 HydrophobicContact CD1-CE1 4.46Å; L203-F217 HydrophobicContact CD2-CE1 4.01Å; L203-F217 HydrophobicContact CG-CE1 4.33Å; M207-F217 HydrophobicContact CG-CD1 4.48Å; M207-F217 HydrophobicContact CG-CE1 3.91Å; M207-F217 HydrophobicContact SD-CD1 4.45Å; M207-F217 HydrophobicContact SD-CE1 3.63Å; M207-F217 HydrophobicContact SD-CZ 3.95Å; M209-F217 HydrophobicContact CE-CB 4.24Å; M209-F217 HydrophobicContact CE-CD1 3.8Å; M209-F217 HydrophobicContact CE-CD2 4.33Å; M209-F217 HydrophobicContact CE-CE1 4.18Å; M209-F217 HydrophobicContact CE-CG 3.87Å; M209-F217 HydrophobicContact SD-CB 3.85Å; M209-F217 HydrophobicContact SD-CD1 3.73Å; M209-F217 HydrophobicContact SD-CG 3.95Å; D213-F217 WeakPolarHBondContact O-CB 3.21Å; D213-F217 PolarHBondContact O-N 3.49Å; W214-F217 HydrophobicContact CE3-CD1 4.18Å; W214-F217 AromaticContact CZ3-CD1 3.85Å; W214-F217 HydrophobicContact CZ3-CD1 3.85Å; W214-F217 HydrophobicContact CZ3-CE1 4.29Å; F217-S219 VanDerWaalsContact C-N 3.33Å; F217-S219 PolarHBondContact O-N 2.95Å; F217-M220 HydrophobicContact CD2-CE 3.73Å; F217-M220 HydrophobicContact CE2-CE 3.69Å; F217-M220 PolarHBondContact O-N 2.96Å; F217-V221 HydrophobicContact CD1-CG2 4.47Å; F217-V221 HydrophobicContact CD2-CG2 4.31Å; F217-V221 HydrophobicContact CE1-CG2 4.14Å; F217-V221 HydrophobicContact CE2-CG2 3.97Å; F217-V221 HydrophobicContact CZ-CG2 3.89Å; F217-V221 WeakPolarHBondContact O-CG2 3.39Å; F217-V221 PolarHBondContact O-N 3.08Å |
| 218 | R | 97.7 | Very high | 95.8 | Very high | 77 Ų | 77 | 53.5 Ų | 53.5 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 174.5 | 177.3 | 172.2 | 174.4 | 138.9 | -1.2 | 111.6 | I200 D201 W214 H215 L222 | I200-R218 HydrophobicContact CG2-CG 3.87Å; I200-R218 VanDerWaalsContact CG2-CZ 3.47Å; I200-R218 VanDerWaalsContact CG2-NH1 3.29Å; D201-R218 IonicContact OD1-NH1 3.95Å; D201-R218 PolarHBondContact OD1-NH1 3.46Å; D201-R218 VanDerWaalsContact OD1-NH1 3.1Å; W214-R218 HydrophobicContact CZ2-CB 4.04Å; W214-R218 HydrophobicContact CZ2-CG 4.28Å; W214-R218 WeakPolarHBondContact O-CB 3.32Å; W214-R218 PolarHBondContact O-N 3.06Å; H215-R218 PolarHBondContact O-N 2.9Å; R218-L222 HydrophobicContact CG-CD1 3.89Å; R218-L222 WeakPolarHBondContact O-CB 3.45Å; R218-L222 VanDerWaalsContact O-CG 3.26Å; R218-L222 WeakPolarHBondContact O-CG 3.42Å; R218-L222 PolarHBondContact O-N 3.16Å |
| 219 | S | 97.6 | Very high | 95.1 | Very high | 72 Ų | 72 | 55.9 Ų | 55.9 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.1 | -51.5 | 175.1 | -66 | 0 | 0 | 0 | 0 | 111.5 | H215 L216 F217 V221 L222 E223 | H215-S219 PolarHBondContact O-N 3.02Å; H215-S219 PolarHBondContact O-OG 3.25Å; H215-S219 VanDerWaalsContact O-OG 3.09Å; L216-S219 PolarHBondContact O-N 3.45Å; F217-S219 VanDerWaalsContact C-N 3.33Å; F217-S219 PolarHBondContact O-N 2.95Å; S219-V221 VanDerWaalsContact C-N 3.31Å; S219-V221 PolarHBondContact O-N 3.32Å; S219-L222 PolarHBondContact O-N 3Å; S219-L222 VanDerWaalsContact O-N 3.12Å; S219-E223 WeakPolarHBondContact O-CB 3.47Å; S219-E223 PolarHBondContact O-N 3.32Å |
| 220 | M | 96.5 | Very high | 93.8 | Very high | 24 Ų | 24 | 63 Ų | 63 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56 | -43.9 | 177.2 | -175.7 | -161.3 | 71.7 | 0 | 0 | 112.1 | K166 I170 L216 F217 L222 M224 | K166-M220 HydrophobicContact CB-CE 4.31Å; K166-M220 HydrophobicContact CB-SD 3.92Å; I170-M220 HydrophobicContact CD1-CB 4.12Å; I170-M220 HydrophobicContact CD1-CE 4.23Å; I170-M220 HydrophobicContact CD1-CG 4.49Å; I170-M220 HydrophobicContact CD1-SD 3.7Å; I170-M220 HydrophobicContact CG1-SD 3.78Å; L216-M220 PolarHBondContact O-N 3.21Å; L216-M220 VanDerWaalsContact O-N 3.09Å; F217-M220 HydrophobicContact CD2-CE 3.73Å; F217-M220 HydrophobicContact CE2-CE 3.69Å; F217-M220 PolarHBondContact O-N 2.96Å; M220-L222 PolarHBondContact O-N 3.12Å; M220-M224 VanDerWaalsContact O-CB 3.29Å; M220-M224 WeakPolarHBondContact O-CB 3.24Å; M220-M224 WeakPolarHBondContact O-CG 3.12Å; M220-M224 PolarHBondContact O-N 3.05Å |
| 221 | V | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | L195 I200 F217 S219 R225 | L195-V221 HydrophobicContact CB-CG1 4.47Å; L195-V221 HydrophobicContact CD1-CG2 4.22Å; L195-V221 HydrophobicContact CD2-CG1 4.46Å; L195-V221 HydrophobicContact CD2-CG2 4.03Å; L195-V221 WeakPolarHBondContact O-CG1 3.41Å; I200-V221 HydrophobicContact CD1-CG1 4.22Å; F217-V221 HydrophobicContact CD1-CG2 4.47Å; F217-V221 HydrophobicContact CD2-CG2 4.31Å; F217-V221 HydrophobicContact CE1-CG2 4.14Å; F217-V221 HydrophobicContact CE2-CG2 3.97Å; F217-V221 HydrophobicContact CZ-CG2 3.89Å; F217-V221 WeakPolarHBondContact O-CG2 3.39Å; F217-V221 PolarHBondContact O-N 3.08Å; S219-V221 VanDerWaalsContact C-N 3.31Å; S219-V221 PolarHBondContact O-N 3.32Å; V221-R225 WeakPolarHBondContact O-CG 3.5Å; V221-R225 PolarHBondContact O-N 2.96Å; V221-R225 VanDerWaalsContact O-N 3.08Å |
| 222 | L | 96.2 | Very high | 89.5 | Confident | 76 Ų | 76 | 61.2 Ų | 61.2 | 40% | 0.398 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -74.1 | -40 | 179 | -70.7 | 171.5 | 0 | 0 | 0 | 112.7 | I200 R218 S219 M220 R225 S226 | I200-L222 HydrophobicContact CD1-CD2 4.16Å; I200-L222 HydrophobicContact CG1-CD2 4.31Å; R218-L222 HydrophobicContact CG-CD1 3.89Å; R218-L222 WeakPolarHBondContact O-CB 3.45Å; R218-L222 VanDerWaalsContact O-CG 3.26Å; R218-L222 WeakPolarHBondContact O-CG 3.42Å; R218-L222 PolarHBondContact O-N 3.16Å; S219-L222 PolarHBondContact O-N 3Å; S219-L222 VanDerWaalsContact O-N 3.12Å; M220-L222 PolarHBondContact O-N 3.12Å; L222-R225 PolarHBondContact O-N 2.89Å; L222-S226 PolarHBondContact O-N 2.87Å |
| 223 | E | 94.9 | Very high | 87.2 | Confident | 123 Ų | 123 | 64.6 Ų | 64.6 | 58% | 0.575 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.8 | -48.2 | 171 | -179.3 | -169.5 | 174.2 | 0 | 0 | 110.9 | S219 R225 S226 V227 | S219-E223 WeakPolarHBondContact O-CB 3.47Å; S219-E223 PolarHBondContact O-N 3.32Å; E223-R225 VanDerWaalsContact C-N 3.28Å; E223-R225 PolarHBondContact O-N 2.82Å; E223-S226 PolarHBondContact O-N 3.24Å; E223-S226 VanDerWaalsContact O-N 3.16Å; E223-S226 PolarHBondContact O-OG 3.29Å; E223-V227 WeakPolarHBondContact O-CG2 3.4Å; E223-V227 PolarHBondContact O-N 2.97Å |
| 224 | M | 93.4 | Very high | 84.8 | Confident | 30 Ų | 30 | 73 Ų | 73 | 15% | 0.148 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66 | -28.7 | 178.5 | -76.9 | -152.7 | 71.9 | 0 | 0 | 113.3 | L153 L155 M158 K166 M220 E228 | L153-M224 VanDerWaalsContact O-CE 3.27Å; L153-M224 WeakPolarHBondContact O-CE 3.22Å; L155-M224 HydrophobicContact CB-CB 4.11Å; L155-M224 HydrophobicContact CB-CE 4.06Å; L155-M224 HydrophobicContact CD1-CB 4.04Å; L155-M224 HydrophobicContact CD1-CE 4.1Å; L155-M224 HydrophobicContact CD1-SD 4.02Å; L155-M224 HydrophobicContact CD2-CB 3.87Å; L155-M224 HydrophobicContact CG-CB 4.23Å; M158-M224 HydrophobicContact CE-CE 3.32Å; M158-M224 HydrophobicContact CE-SD 4.01Å; M158-M224 HydrophobicContact SD-CE 3.83Å; M158-M224 HydrophobicContact SD-SD 4.15Å; K166-M224 HydrophobicContact CD-SD 4.5Å; M220-M224 VanDerWaalsContact O-CB 3.29Å; M220-M224 WeakPolarHBondContact O-CB 3.24Å; M220-M224 WeakPolarHBondContact O-CG 3.12Å; M220-M224 PolarHBondContact O-N 3.05Å; M224-E228 WeakPolarHBondContact O-CB 3.49Å; M224-E228 PolarHBondContact O-N 2.93Å; M224-E228 VanDerWaalsContact O-N 3.12Å |
| 225 | R | 95.4 | Very high | 81.5 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 17% | 0.17 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70 | -41.3 | 169.8 | -76.7 | 178.7 | -168.4 | -157.3 | 0.7 | 112.6 | L155 L195 A196 C198 V221 L222 E223 E228 N229 | L155-R225 HydrophobicContact CD2-CG 3.74Å; L195-R225 PolarHBondContact O-NE 3.09Å; L195-R225 PolarHBondContact O-NH2 3.3Å; A196-R225 VanDerWaalsContact O-CZ 3.27Å; A196-R225 PolarHBondContact O-NE 3.45Å; A196-R225 VanDerWaalsContact O-NE 3.16Å; C198-R225 PolarHBondContact O-NH1 3.25Å; C198-R225 VanDerWaalsContact O-NH1 3.12Å; C198-R225 PolarHBondContact O-NH2 2.99Å; C198-R225 PolarHBondContact SG-NH2 3.31Å; C198-R225 VanDerWaalsContact SG-NH2 3.36Å; V221-R225 WeakPolarHBondContact O-CG 3.5Å; V221-R225 PolarHBondContact O-N 2.96Å; V221-R225 VanDerWaalsContact O-N 3.08Å; L222-R225 PolarHBondContact O-N 2.89Å; E223-R225 VanDerWaalsContact C-N 3.28Å; E223-R225 PolarHBondContact O-N 2.82Å; R225-E228 PolarHBondContact O-N 3.5Å; R225-N229 WeakPolarHBondContact O-CB 3.41Å; R225-N229 VanDerWaalsContact O-CG 3.23Å; R225-N229 PolarHBondContact O-N 2.91Å; R225-N229 PolarHBondContact O-ND2 3.35Å |
| 226 | S | 92.9 | Very high | 78.8 | Confident | 63 Ų | 63 | 79.5 Ų | 79.5 | 44% | 0.441 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.1 | -38.7 | 179.2 | 63.8 | 0 | 0 | 0 | 0 | 111.7 | L222 E223 N229 Q230 | L222-S226 PolarHBondContact O-N 2.87Å; E223-S226 PolarHBondContact O-N 3.24Å; E223-S226 VanDerWaalsContact O-N 3.16Å; E223-S226 PolarHBondContact O-OG 3.29Å; S226-N229 PolarHBondContact O-N 3.48Å; S226-Q230 PolarHBondContact O-N 3.21Å |
| 227 | V | 89.1 | Confident | 75.8 | Confident | 64 Ų | 64 | 84.4 Ų | 84.4 | 39% | 0.388 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 172.7 | 174 | 0 | 0 | 0 | 0 | 111.3 | E223 N229 Q230 V231 | E223-V227 WeakPolarHBondContact O-CG2 3.4Å; E223-V227 PolarHBondContact O-N 2.97Å; V227-N229 PolarHBondContact O-N 2.94Å; V227-Q230 PolarHBondContact O-N 3.09Å; V227-V231 VanDerWaalsContact O-CG2 3.27Å; V227-V231 WeakPolarHBondContact O-CG2 3.43Å |
| 228 | E | 88.7 | Confident | 72.6 | Confident | 26 Ų | 26 | 94 Ų | 94 | 12% | 0.121 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 178.9 | -179.2 | 163.1 | -126.7 | 0 | 0 | 112.7 | L154 L155 S156 M224 R225 Q230 V231 | L154-E228 WeakPolarHBondContact CB-OE1 3.33Å; L154-E228 HydrophobicContact CD2-CG 4.48Å; L154-E228 HydrophobicContact CG-CG 4.5Å; L155-E228 WeakPolarHBondContact CB-OE2 3.45Å; S156-E228 WeakPolarHBondContact CB-OE1 3.26Å; S156-E228 VanDerWaalsContact N-CD 3.34Å; S156-E228 PolarHBondContact N-OE1 3.25Å; S156-E228 PolarHBondContact N-OE2 3.04Å; S156-E228 PolarHBondContact OG-OE1 3.35Å; M224-E228 WeakPolarHBondContact O-CB 3.49Å; M224-E228 PolarHBondContact O-N 2.93Å; M224-E228 VanDerWaalsContact O-N 3.12Å; R225-E228 PolarHBondContact O-N 3.5Å; E228-Q230 PolarHBondContact O-N 2.65Å; E228-V231 PolarHBondContact O-N 3.36Å |
| 229 | N | 81.4 | Confident | 69.6 | Low | 129 Ų | 129 | 98.8 Ų | 98.8 | 69% | 0.69 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66 | -21.7 | 178.3 | -74.5 | -18.3 | 0 | 0 | 0 | 113.9 | R225 S226 V227 | R225-N229 WeakPolarHBondContact O-CB 3.41Å; R225-N229 VanDerWaalsContact O-CG 3.23Å; R225-N229 PolarHBondContact O-N 2.91Å; R225-N229 PolarHBondContact O-ND2 3.35Å; S226-N229 PolarHBondContact O-N 3.48Å; V227-N229 PolarHBondContact O-N 2.94Å |
| 230 | Q | 69.6 | Low | 66.2 | Low | 169 Ų | 169 | 102.3 Ų | 102.3 | 79% | 0.79 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -0.9 | 174 | -68 | -167.1 | 104.9 | 0 | 0 | 113.8 | S226 V227 E228 | S226-Q230 PolarHBondContact O-N 3.21Å; V227-Q230 PolarHBondContact O-N 3.09Å; E228-Q230 PolarHBondContact O-N 2.65Å |
| 231 | V | 59.6 | Low | 63 | Low | 73 Ų | 73 | 108.1 Ų | 108.1 | 44% | 0.442 | 56% | 0.557 | S | S | . | * | | | trans | -103.7 | 10.5 | -174.3 | 172.3 | 0 | 0 | 0 | 0 | 112.7 | L154 V227 E228 P233 | L154-V231 HydrophobicContact CD1-CG1 4.02Å; L154-V231 HydrophobicContact CD2-CG1 4.14Å; L154-V231 HydrophobicContact CG-CG1 4.2Å; V227-V231 VanDerWaalsContact O-CG2 3.27Å; V227-V231 WeakPolarHBondContact O-CG2 3.43Å; E228-V231 PolarHBondContact O-N 3.36Å; V231-P233 WeakPolarHBondContact O-CD 3.38Å |
| 232 | V | 43.1 | Very low | 59.8 | Low | 115 Ų | 115 | 115.4 Ų | 115.4 | 70% | 0.697 | 60% | 0.596 | S | S | * | * | | | trans | -84.8 | 111.4 | 170.1 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 233 | P | 48.6 | Very low | 56.6 | Low | 113 Ų | 113 | 117 Ų | 117 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | | | trans | -104.3 | 128.4 | -177.5 | 10.5 | 12.4 | 0 | 0 | 0 | 111.9 | V231 | V231-P233 WeakPolarHBondContact O-CD 3.38Š|
| 234 | E | 46.6 | Very low | 53.4 | Low | 185 Ų | 185 | 116.6 Ų | 116.6 | 86% | 0.864 | 63% | 0.625 | S | S | * | * | | | trans | -77.5 | 119.4 | 170.6 | -76 | -71.7 | 127.4 | 0 | 0 | 111.4 | | |
| 235 | D | 29.4 | Very low | 50.2 | Low | 95 Ų | 95 | 119.9 Ų | 119.9 | 51% | 0.508 | 66% | 0.657 | S | S | . | * | | | trans | 45.7 | 100.6 | 168.3 | -162.7 | 26.3 | 0 | 0 | 0 | 120.4 | R237 | D235-R237 PolarHBondContact O-N 3.25Å; D235-R237 IonicContact OD1-NE 2.96Å; D235-R237 PolarHBondContact OD1-NE 2.88Å; D235-R237 IonicContact OD2-CZ 3.37Å; D235-R237 IonicContact OD2-NE 2.7Å; D235-R237 PolarHBondContact OD2-NE 3.44Å; D235-R237 IonicContact OD2-NH2 3.14Å; D235-R237 PolarHBondContact OD2-NH2 3.13Å |
| 236 | P | 41.4 | Very low | 47.3 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 84% | 0.838 | 68% | 0.684 | S | S | * | * | | | trans | -90.1 | 93.6 | 179.8 | 35.2 | -33.4 | 0 | 0 | 0 | 113.7 | | |
| 237 | R | 33.8 | Very low | 44.2 | Very low | 165 Ų | 165 | 127 Ų | 127 | 62% | 0.623 | 70% | 0.704 | S | S | * | * | | | trans | -133.5 | 18.9 | -177.1 | -73 | -167.4 | -60.5 | 95.8 | 10.2 | 119.1 | D235 | D235-R237 PolarHBondContact O-N 3.25Å; D235-R237 IonicContact OD1-NE 2.96Å; D235-R237 PolarHBondContact OD1-NE 2.88Å; D235-R237 IonicContact OD2-CZ 3.37Å; D235-R237 IonicContact OD2-NE 2.7Å; D235-R237 PolarHBondContact OD2-NE 3.44Å; D235-R237 IonicContact OD2-NH2 3.14Å; D235-R237 PolarHBondContact OD2-NH2 3.13Å |
| 238 | F | 31.6 | Very low | 41.3 | Very low | 200 Ų | 200 | 128.7 Ų | 128.7 | 88% | 0.877 | 73% | 0.725 | S | S | * | * | | | trans | -132.8 | 67.9 | 170.9 | -71.9 | -71.2 | 0 | 0 | 0 | 114.1 | | |
| 239 | L | 35.3 | Very low | 38.2 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 94% | 0.937 | 76% | 0.76 | S | S | * | * | | | trans | -115 | 110 | 152.4 | -84.2 | 176.6 | 0 | 0 | 0 | 109 | | |
| 240 | N | 25.6 | Very low | 35.6 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | trans | -161.6 | 136.6 | 161.1 | -165.5 | 61.9 | 0 | 0 | 0 | 109.4 | | |
| 241 | E | 29.5 | Very low | 33.5 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | | | trans | 19.4 | 136.6 | 153.8 | -112.7 | 78.2 | 131.1 | 0 | 0 | 120.1 | | |
| 242 | N | 29.8 | Very low | 32 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | cis | -155.6 | 158.1 | 35.1 | -79.3 | 101.5 | 0 | 0 | 0 | 113.2 | | |
| 243 | S | 28.3 | Very low | 31.1 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -117 | 114.9 | 157.2 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 244 | S | 28.1 | Very low | 30.1 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | 42.6 | 97.8 | 152.4 | -56.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 245 | A | 26.3 | Very low | 29.3 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | 58.2 | 169.8 | 132.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 246 | P | 34.7 | Very low | 29 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | | | cis | -130.7 | 168.2 | -3.1 | 42 | -26.3 | 0 | 0 | 0 | 116.8 | | |
| 247 | V | 28.5 | Very low | 28.2 | Very low | 142 Ų | 142 | 140 Ų | 140 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | 40.5 | 116.7 | 148.8 | 179.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 248 | A | 26.3 | Very low | 27.9 | Very low | 101 Ų | 101 | 140 Ų | 140 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -164.8 | 105.4 | 131.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 249 | H | 24.6 | Very low | 27.7 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -11.1 | 135.6 | 164.9 | -145.9 | 44.9 | 0 | 0 | 0 | 121.3 | | |
| 250 | G | 27.4 | Very low | 27.2 | Very low | 80 Ų | 80 | 135 Ų | 135 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -147.2 | 87.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 251 | E | 25.2 | Very low | 27.6 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | | | trans | -78.6 | 163.8 | -178.1 | -89.7 | -159 | 115.2 | 0 | 0 | 114.5 | | |
| 252 | S | 26.8 | Very low | 28 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | | | cis | -169.1 | 171.9 | -8.2 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 253 | A | 24.8 | Very low | 28.1 | Very low | 82 Ų | 82 | 133.5 Ų | 133.5 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | trans | 75.1 | 135.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 254 | R | 28 | Very low | 28 | Very low | 230 Ų | 230 | 135 Ų | 135 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | | | cis | -145.2 | 124.2 | 35 | -68.2 | 169.8 | 176.6 | 163 | -0 | 115.7 | | |
| 255 | R | 29.5 | Very low | 28 | Very low | 228 Ų | 228 | 136 Ų | 136 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | 67.6 | 121.9 | 137.6 | -63.7 | -168.9 | 177.9 | -145.1 | -5 | 119.5 | | |
| 256 | T | 23.1 | Very low | 28.5 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | | 77.3 | 132.8 | 76.6 | -51.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 257 | S | 25.3 | Very low | 28.1 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | cis | -124.2 | 154 | 17.7 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 258 | H | 28.2 | Very low | 28.2 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | | 53.7 | 134.4 | 66.6 | -79 | -78.4 | 0 | 0 | 0 | 113.3 | | |
| 259 | S | 25.8 | Very low | 28.7 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | cis | -159.9 | -176.3 | 4.7 | -143.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 260 | E | 24.8 | Very low | 29 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | | | cis | -144.1 | -163.8 | 14.6 | -62.4 | -171.7 | 113.2 | 0 | 0 | 111.5 | | |
| 261 | L | 34.6 | Very low | 30 | Very low | 152 Ų | 152 | 139 Ų | 139 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | trans | -132.9 | 162.7 | 165.2 | -69.5 | 168.8 | 0 | 0 | 0 | 108.5 | | |
| 262 | P | 37.4 | Very low | 30.6 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | | -151 | 138.1 | 100.3 | 34.3 | -15.4 | 0 | 0 | 0 | 117.5 | | |
| 263 | H | 31.6 | Very low | 31 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | | | trans | 33.4 | 123.8 | 137.6 | -51.6 | -67.5 | 0 | 0 | 0 | 122.2 | E265 | H263-E265 IonicContact CG-OE1 3.45Å; H263-E265 IonicContact ND1-OE1 2.75Å; H263-E265 PolarHBondContact ND1-OE1 3.35Å |
| 264 | T | 28.1 | Very low | 32 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | | | | -156.9 | 139.1 | 125.3 | -71.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 265 | E | 27.9 | Very low | 32.9 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | | | trans | -102 | 153.7 | -167.2 | -42.6 | -49.2 | 135.6 | 0 | 0 | 110.5 | H263 | H263-E265 IonicContact CG-OE1 3.45Å; H263-E265 IonicContact ND1-OE1 2.75Å; H263-E265 PolarHBondContact ND1-OE1 3.35Å |
| 266 | L | 36.4 | Very low | 34.1 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | cis | -170.4 | 156.4 | -6 | 160.6 | 68.2 | 0 | 0 | 0 | 107.4 | | |
| 267 | S | 26.3 | Very low | 35.5 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | | | trans | -148.1 | 159.5 | 165.6 | -161.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 268 | S | 30.7 | Very low | 36.3 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | | | trans | -93.4 | 148.5 | -157.7 | 53.5 | 0 | 0 | 0 | 0 | 117 | | |
| 269 | Q | 36.6 | Very low | 37.8 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | | | trans | 16.7 | 129 | 141.7 | -57 | 180 | 3.9 | 0 | 0 | 120 | | |
| 270 | T | 31.6 | Very low | 39.5 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 81% | 0.81 | 71% | 0.714 | S | S | * | * | | | | -166.6 | 135.7 | 120.2 | 9.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 271 | P | 46.7 | Very low | 41.1 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 69% | 0.688 | 70% | 0.703 | S | S | * | * | | | trans | -110 | 57.4 | -173.6 | 41.6 | -34.8 | 0 | 0 | 0 | 113.8 | | |
| 272 | Y | 38.5 | Very low | 41.9 | Very low | 190 Ų | 190 | 130 Ų | 130 | 75% | 0.745 | 69% | 0.694 | S | S | * | * | | | trans | -136 | 87 | 178.1 | -66.9 | -69.8 | 0 | 0 | 0 | 113.1 | | |
| 273 | T | 34.8 | Very low | 42.4 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 83% | 0.834 | 69% | 0.694 | S | S | * | * | | | trans | -103.8 | 81.8 | 164.7 | 55.8 | 0 | 0 | 0 | 0 | 109.2 | N275 | T273-N275 PolarHBondContact O-N 3.12Š|
| 274 | L | 46.1 | Very low | 43.3 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 69% | 0.686 | 70% | 0.695 | S | S | * | * | | | trans | -74.1 | 90.4 | 175.4 | -68.1 | 176.7 | 0 | 0 | 0 | 109.8 | F276 | L274-F276 HydrophobicContact CB-CD2 4.28Å; L274-F276 HydrophobicContact CB-CE2 3.9Å; L274-F276 HydrophobicContact CD1-CE2 4.23Å; L274-F276 HydrophobicContact CD2-CE2 4.3Å; L274-F276 HydrophobicContact CD2-CZ 4.22Å; L274-F276 HydrophobicContact CG-CE2 4.37Å |
| 275 | N | 47.7 | Very low | 44.3 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 81% | 0.807 | 68% | 0.684 | S | S | * | * | | | trans | -101.2 | 74.8 | 178.5 | -175.5 | 80.5 | 0 | 0 | 0 | 109.9 | T273 | T273-N275 PolarHBondContact O-N 3.12Š|
| 276 | F | 54.1 | Low | 45.1 | Very low | 113 Ų | 113 | 128 Ų | 128 | 50% | 0.496 | 70% | 0.699 | S | S | . | * | | | trans | -71 | 139.7 | 173.7 | -65.4 | -70 | 0 | 0 | 0 | 111.1 | L274 E280 | L274-F276 HydrophobicContact CB-CD2 4.28Å; L274-F276 HydrophobicContact CB-CE2 3.9Å; L274-F276 HydrophobicContact CD1-CE2 4.23Å; L274-F276 HydrophobicContact CD2-CE2 4.3Å; L274-F276 HydrophobicContact CD2-CZ 4.22Å; L274-F276 HydrophobicContact CG-CE2 4.37Å; F276-E280 WeakPolarHBondContact CA-OE2 3.46Å; F276-E280 HydrophobicContact CD1-CB 4.38Å |
| 277 | S | 52 | Low | 46 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 47% | 0.469 | 70% | 0.701 | S | S | . | * | | | trans | -73.1 | 155.6 | 167.1 | -170.2 | 0 | 0 | 0 | 0 | 110.7 | E279 E280 | S277-E279 PolarHBondContact O-N 2.75Å; S277-E280 PolarHBondContact N-OE2 3.1Å; S277-E280 PolarHBondContact O-N 3.01Å; S277-E280 VanDerWaalsContact O-N 3.07Å |
| 278 | F | 41.5 | Very low | 46.7 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 72% | 0.719 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -55.6 | -33.1 | 175.4 | -178.7 | -100.6 | 0 | 0 | 0 | 112.4 | | |
| 279 | E | 61.4 | Low | 46.7 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 62% | 0.617 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -64.3 | -37.9 | 177.1 | -135.6 | 65.4 | -152.2 | 0 | 0 | 113 | S277 N282 | S277-E279 PolarHBondContact O-N 2.75Å; E279-N282 WeakPolarHBondContact O-CB 3.26Å; E279-N282 PolarHBondContact O-N 3.32Å |
| 280 | E | 61 | Low | 46.5 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 45% | 0.449 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -75.6 | -26.2 | -174.6 | -63.1 | 173.8 | 120.2 | 0 | 0 | 112.6 | F276 S277 T283 | F276-E280 WeakPolarHBondContact CA-OE2 3.46Å; F276-E280 HydrophobicContact CD1-CB 4.38Å; S277-E280 PolarHBondContact N-OE2 3.1Å; S277-E280 PolarHBondContact O-N 3.01Å; S277-E280 VanDerWaalsContact O-N 3.07Å; E280-T283 PolarHBondContact O-OG1 2.71Å; E280-T283 VanDerWaalsContact O-OG1 3.08Å |
| 281 | L | 57.8 | Low | 47.2 | Very low | 111 Ų | 111 | 126 Ų | 126 | 58% | 0.581 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -74.3 | -28.2 | 172.7 | -77.2 | 166.7 | 0 | 0 | 0 | 112.2 | T283 L284 | L281-T283 VanDerWaalsContact C-N 3.28Å; L281-T283 PolarHBondContact O-N 2.96Å; L281-L284 PolarHBondContact O-N 2.71Å |
| 282 | N | 52.5 | Low | 46.7 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -73.1 | -21.6 | -176.4 | -136.5 | 10.7 | 0 | 0 | 0 | 112.4 | E279 | E279-N282 WeakPolarHBondContact O-CB 3.26Å; E279-N282 PolarHBondContact O-N 3.32Å |
| 283 | T | 47.3 | Very low | 46.8 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -3.9 | 178.9 | 48.2 | 0 | 0 | 0 | 0 | 114.8 | E280 L281 | E280-T283 PolarHBondContact O-OG1 2.71Å; E280-T283 VanDerWaalsContact O-OG1 3.08Å; L281-T283 VanDerWaalsContact C-N 3.28Å; L281-T283 PolarHBondContact O-N 2.96Å |
| 284 | L | 49.3 | Very low | 46.6 | Very low | 135 Ų | 135 | 131 Ų | 131 | 71% | 0.707 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -97.4 | 8.8 | -178.9 | -69 | 170.6 | 0 | 0 | 0 | 113.6 | L281 | L281-L284 PolarHBondContact O-N 2.71Š|
| 285 | G | 49.3 | Very low | 46 | Very low | 62 Ų | 62 | 132.9 Ų | 132.9 | 64% | 0.639 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -95.6 | 102.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 286 | L | 45.1 | Very low | 45.5 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 94% | 0.942 | 72% | 0.721 | S | S | * | * | | | trans | 65.9 | 88.2 | 163.4 | -59.2 | 169.2 | 0 | 0 | 0 | 117.9 | | |
| 287 | D | 55.5 | Low | 44.8 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | | | trans | -147.8 | 102.4 | 137.9 | -175.4 | 34.1 | 0 | 0 | 0 | 111.6 | | |
| 288 | E | 41.7 | Very low | 43.9 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | | | trans | -163.2 | 149.9 | 151.4 | -161.4 | 164.5 | 155.8 | 0 | 0 | 111.1 | | |
| 289 | G | 31 | Very low | 43.7 | Very low | 63 Ų | 63 | 140.8 Ų | 140.8 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | trans | 122.9 | 23.9 | 133.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 290 | A | 32.1 | Very low | 42.1 | Very low | 101 Ų | 101 | 140 Ų | 140 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | 68 | 166.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 291 | P | 46.7 | Very low | 40.7 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -97.1 | 146.5 | -159.3 | 36.1 | -34.3 | 0 | 0 | 0 | 115.4 | | |
| 292 | R | 34.6 | Very low | 39.8 | Very low | 243 Ų | 243 | 143.5 Ų | 143.5 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | | | trans | -133.5 | 143.1 | 154.9 | -71.3 | -167.4 | 173.5 | 99.5 | 2.1 | 110.6 | | |
| 293 | H | 42.3 | Very low | 39 | Very low | 192 Ų | 192 | 146.9 Ų | 146.9 | 89% | 0.889 | 80% | 0.797 | S | S | * | * | | | trans | -79.9 | 129.3 | -165.9 | -45.6 | -90.5 | 0 | 0 | 0 | 113.2 | | |
| 294 | S | 28.8 | Very low | 38.7 | Very low | 101 Ų | 101 | 152.4 Ų | 152.4 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | -153.4 | 142.2 | 152.6 | 59 | 0 | 0 | 0 | 0 | 110.1 | | |
| 295 | N | 35.3 | Very low | 38.2 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | | | trans | -86.2 | 121.5 | -175.7 | -69.6 | -71.4 | 0 | 0 | 0 | 110.6 | | |
| 296 | L | 35.9 | Very low | 37.7 | Very low | 139 Ų | 139 | 154.8 Ų | 154.8 | 73% | 0.728 | 82% | 0.815 | S | S | * | * | | | trans | -123.4 | 93.6 | 172.2 | -86.4 | 160.6 | 0 | 0 | 0 | 110.1 | W298 | L296-W298 PolarHBondContact O-N 2.78Š|
| 297 | S | 40 | Very low | 37.4 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -79.3 | 81.8 | -178.8 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 298 | W | 32.2 | Very low | 37.2 | Very low | 229 Ų | 229 | 152 Ų | 152 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -110.8 | 87.3 | 168.7 | -73.2 | 104.7 | 0 | 0 | 0 | 110.8 | L296 | L296-W298 PolarHBondContact O-N 2.78Š|
| 299 | Q | 37.4 | Very low | 37.7 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | trans | -72.4 | 141.1 | 165.5 | -73.4 | -171.7 | -6.6 | 0 | 0 | 110.4 | | |
| 300 | S | 28.8 | Very low | 38.4 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | 58 | 116.2 | 155.9 | -55.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 301 | Q | 30.5 | Very low | 39.7 | Very low | 134 Ų | 134 | 150.4 Ų | 150.4 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | | | | -160.2 | 133.2 | 65.4 | -173.9 | 170.1 | 27.8 | 0 | 0 | 113 | R303 | Q301-R303 HydrophobicContact CG-CG 4.04Å; Q301-R303 PolarHBondContact O-N 3.18Å |
| 302 | T | 39.8 | Very low | 40.6 | Very low | 146 Ų | 146 | 152.7 Ų | 152.7 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | | | trans | -65.5 | 94.3 | 165 | -46.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 303 | R | 36 | Very low | 42.6 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | | | trans | -101.1 | 143.7 | 161.6 | -66 | -165 | 177.8 | -104.2 | -2.7 | 108.9 | Q301 | Q301-R303 HydrophobicContact CG-CG 4.04Å; Q301-R303 PolarHBondContact O-N 3.18Å |
| 304 | R | 39.8 | Very low | 44.2 | Very low | 234 Ų | 234 | 141.8 Ų | 141.8 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | | | trans | -54.2 | 151.5 | 175.7 | -63.8 | 175.7 | 177.8 | 169.7 | -2.6 | 109.6 | P306 | R304-P306 WeakPolarHBondContact O-CD 3.47Š|
| 305 | T | 38.9 | Very low | 46.6 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -40 | 113.6 | 161.7 | 47.9 | 0 | 0 | 0 | 0 | 110 | S307 | T305-S307 PolarHBondContact O-N 3.08Š|
| 306 | P | 39.6 | Very low | 48.8 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | | | trans | -68.1 | 122.7 | 174.1 | 27.7 | -31.7 | 0 | 0 | 0 | 107.7 | R304 L308 | R304-P306 WeakPolarHBondContact O-CD 3.47Å; P306-L308 PolarHBondContact O-N 3.41Å |
| 307 | S | 38.6 | Very low | 51 | Low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | | | trans | -55.9 | 136.8 | 175.1 | -56 | 0 | 0 | 0 | 0 | 109.9 | T305 S309 | T305-S307 PolarHBondContact O-N 3.08Å; S307-S309 PolarHBondContact O-N 3.28Å; S307-S309 PolarHBondContact O-OG 3.07Å |
| 308 | L | 51.8 | Low | 53.4 | Low | 187 Ų | 187 | 131.1 Ų | 131.1 | 98% | 0.979 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -72.4 | 60 | 176.1 | -66.7 | 175 | 0 | 0 | 0 | 111.3 | P306 | P306-L308 PolarHBondContact O-N 3.41Š|
| 309 | S | 51.3 | Low | 56.3 | Low | 89 Ų | 89 | 126.6 Ų | 126.6 | 62% | 0.622 | 68% | 0.681 | S | S | * | * | | | trans | -128.7 | 39.5 | -167.4 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | S307 | S307-S309 PolarHBondContact O-N 3.28Å; S307-S309 PolarHBondContact O-OG 3.07Å |
| 310 | S | 47 | Very low | 58.8 | Low | 72 Ų | 72 | 122.6 Ų | 122.6 | 50% | 0.503 | 67% | 0.665 | S | S | . | * | | | trans | -179.8 | 103 | 145 | -83.3 | 0 | 0 | 0 | 0 | 111.6 | N312 S313 | S310-N312 PolarHBondContact O-N 3.45Å; S310-S313 WeakPolarHBondContact CB-OG 3.39Å; S310-S313 PolarHBondContact O-N 2.9Å; S310-S313 PolarHBondContact O-OG 2.79Å |
| 311 | L | 58.4 | Low | 61.8 | Low | 165 Ų | 165 | 120 Ų | 120 | 86% | 0.864 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -3.6 | 172.8 | -68.5 | 171.3 | 0 | 0 | 0 | 114.1 | | |
| 312 | N | 65.8 | Low | 64.9 | Low | 164 Ų | 164 | 120.3 Ų | 120.3 | 88% | 0.877 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 12.5 | -179.2 | -165.7 | 53.5 | 0 | 0 | 0 | 112.8 | S310 | S310-N312 PolarHBondContact O-N 3.45Š|
| 313 | S | 75.8 | Confident | 67.4 | Low | 49 Ų | 49 | 118.6 Ų | 118.6 | 34% | 0.343 | 63% | 0.63 | S | S | . | * | | | trans | -73.8 | 143.8 | 173.7 | -72.2 | 0 | 0 | 0 | 0 | 111.2 | S310 D315 S316 S317 | S310-S313 WeakPolarHBondContact CB-OG 3.39Å; S310-S313 PolarHBondContact O-N 2.9Å; S310-S313 PolarHBondContact O-OG 2.79Å; S313-D315 VanDerWaalsContact C-N 3.27Å; S313-D315 PolarHBondContact O-N 3.3Å; S313-S316 WeakPolarHBondContact O-CB 3.37Å; S313-S316 PolarHBondContact O-N 3.32Å; S313-S317 PolarHBondContact O-N 3.49Å |
| 314 | Q | 75.9 | Confident | 70.2 | Confident | 157 Ų | 157 | 112.9 Ų | 112.9 | 73% | 0.734 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62 | -35.2 | 179.4 | -173 | 169.2 | -33.4 | 0 | 0 | 112.1 | S317 I318 | Q314-S317 WeakPolarHBondContact O-CB 3.42Å; Q314-S317 PolarHBondContact O-N 3.01Å; Q314-I318 WeakPolarHBondContact O-CG1 3.31Å; Q314-I318 PolarHBondContact O-N 2.78Å; Q314-I318 VanDerWaalsContact O-N 3.08Å |
| 315 | D | 80.6 | Confident | 72.9 | Confident | 126 Ų | 126 | 106.2 Ų | 106.2 | 67% | 0.674 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.5 | -38.7 | 172.7 | -54.6 | -81.9 | 0 | 0 | 0 | 112.5 | S313 S317 I318 E319 | S313-D315 VanDerWaalsContact C-N 3.27Å; S313-D315 PolarHBondContact O-N 3.3Å; D315-S317 VanDerWaalsContact C-N 3.34Å; D315-I318 WeakPolarHBondContact O-CB 3.39Å; D315-I318 PolarHBondContact O-N 2.89Å; D315-E319 WeakPolarHBondContact O-CB 3.42Å; D315-E319 PolarHBondContact O-N 3.35Å |
| 316 | S | 80.5 | Confident | 75.7 | Confident | 29 Ų | 29 | 106.5 Ų | 106.5 | 20% | 0.203 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -67.6 | -34 | 174.6 | -56.7 | 0 | 0 | 0 | 0 | 112 | S313 E319 I320 | S313-S316 WeakPolarHBondContact O-CB 3.37Å; S313-S316 PolarHBondContact O-N 3.32Å; S316-E319 PolarHBondContact O-N 2.83Å; S316-I320 WeakPolarHBondContact O-CB 3.39Å; S316-I320 WeakPolarHBondContact O-CD1 3.41Å; S316-I320 WeakPolarHBondContact O-CG1 3.36Å; S316-I320 PolarHBondContact O-N 3.25Å |
| 317 | S | 82.5 | Confident | 78.4 | Confident | 71 Ų | 71 | 104.9 Ų | 104.9 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.1 | -43.8 | 170.9 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | S313 Q314 D315 E319 I320 S321 | S313-S317 PolarHBondContact O-N 3.49Å; Q314-S317 WeakPolarHBondContact O-CB 3.42Å; Q314-S317 PolarHBondContact O-N 3.01Å; D315-S317 VanDerWaalsContact C-N 3.34Å; S317-E319 VanDerWaalsContact C-N 3.35Å; S317-E319 PolarHBondContact O-N 2.84Å; S317-I320 PolarHBondContact O-N 3.32Å; S317-S321 PolarHBondContact O-N 3.41Å; S317-S321 PolarHBondContact O-OG 2.97Å; S317-S321 VanDerWaalsContact O-OG 3.08Å |
| 318 | I | 90.4 | Very high | 81.2 | Confident | 76 Ų | 76 | 104.2 Ų | 104.2 | 39% | 0.39 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.7 | -37.5 | 175.5 | -66.3 | 163.4 | 0 | 0 | 0 | 111.6 | Q314 D315 K322 | Q314-I318 WeakPolarHBondContact O-CG1 3.31Å; Q314-I318 PolarHBondContact O-N 2.78Å; Q314-I318 VanDerWaalsContact O-N 3.08Å; D315-I318 WeakPolarHBondContact O-CB 3.39Å; D315-I318 PolarHBondContact O-N 2.89Å; I318-K322 HydrophobicContact CG2-CD 4.19Å; I318-K322 VanDerWaalsContact O-CG 3.28Å; I318-K322 WeakPolarHBondContact O-CG 3.43Å; I318-K322 PolarHBondContact O-N 3Å |
| 319 | E | 92.3 | Very high | 83.3 | Confident | 135 Ų | 135 | 97.4 Ų | 97.4 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.6 | -43.3 | 175.6 | -173.2 | 168.1 | -137.8 | 0 | 0 | 112.1 | D315 S316 S317 K322 L323 | D315-E319 WeakPolarHBondContact O-CB 3.42Å; D315-E319 PolarHBondContact O-N 3.35Å; S316-E319 PolarHBondContact O-N 2.83Å; S317-E319 VanDerWaalsContact C-N 3.35Å; S317-E319 PolarHBondContact O-N 2.84Å; E319-K322 PolarHBondContact O-N 3.07Å; E319-L323 WeakPolarHBondContact O-CB 3.45Å; E319-L323 PolarHBondContact O-N 3.14Å |
| 320 | I | 89.8 | Confident | 85.4 | Confident | 93 Ų | 93 | 98.7 Ų | 98.7 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 174.1 | -69.6 | 162.5 | 0 | 0 | 0 | 111 | S316 S317 L323 T324 | S316-I320 WeakPolarHBondContact O-CB 3.39Å; S316-I320 WeakPolarHBondContact O-CD1 3.41Å; S316-I320 WeakPolarHBondContact O-CG1 3.36Å; S316-I320 PolarHBondContact O-N 3.25Å; S317-I320 PolarHBondContact O-N 3.32Å; I320-L323 PolarHBondContact O-N 3.38Å; I320-T324 WeakPolarHBondContact O-CB 3.33Å; I320-T324 PolarHBondContact O-N 2.88Å; I320-T324 PolarHBondContact O-OG1 2.85Å |
| 321 | S | 93.1 | Very high | 87.8 | Confident | 60 Ų | 60 | 103.1 Ų | 103.1 | 42% | 0.42 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.2 | -52.1 | 172 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | S317 L323 T324 D325 | S317-S321 PolarHBondContact O-N 3.41Å; S317-S321 PolarHBondContact O-OG 2.97Å; S317-S321 VanDerWaalsContact O-OG 3.08Å; S321-L323 VanDerWaalsContact C-N 3.31Å; S321-L323 PolarHBondContact O-N 3Å; S321-T324 CarbonylContact O-C 3.58Å; S321-T324 WeakPolarHBondContact O-CA 3.38Å; S321-T324 WeakPolarHBondContact O-CB 3.36Å; S321-T324 PolarHBondContact O-N 2.97Å; S321-D325 VanDerWaalsContact O-CG 3.3Å; S321-D325 PolarHBondContact O-N 3.5Å |
| 322 | K | 94.4 | Very high | 89.7 | Confident | 140 Ų | 140 | 101.9 Ų | 101.9 | 61% | 0.609 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.7 | -38 | 178.6 | -73.5 | 167.9 | -179.3 | 174.4 | 0 | 113.2 | I318 E319 K326 | I318-K322 HydrophobicContact CG2-CD 4.19Å; I318-K322 VanDerWaalsContact O-CG 3.28Å; I318-K322 WeakPolarHBondContact O-CG 3.43Å; I318-K322 PolarHBondContact O-N 3Å; E319-K322 PolarHBondContact O-N 3.07Å; K322-K326 WeakPolarHBondContact O-CB 3.43Å; K322-K326 PolarHBondContact O-N 3.4Å |
| 323 | L | 94 | Very high | 91.2 | Very high | 111 Ų | 111 | 98 Ų | 98 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.3 | -42.2 | 175 | -179.6 | 60.8 | 0 | 0 | 0 | 111 | E319 I320 S321 K326 V327 | E319-L323 WeakPolarHBondContact O-CB 3.45Å; E319-L323 PolarHBondContact O-N 3.14Å; I320-L323 PolarHBondContact O-N 3.38Å; S321-L323 VanDerWaalsContact C-N 3.31Å; S321-L323 PolarHBondContact O-N 3Å; L323-K326 PolarHBondContact O-N 2.71Å; L323-V327 HydrophobicContact CD1-CG2 4.49Å; L323-V327 WeakPolarHBondContact O-CG2 3.36Å; L323-V327 PolarHBondContact O-N 3.28Å |
| 324 | T | 94.3 | Very high | 92.2 | Very high | 67 Ų | 67 | 98.4 Ų | 98.4 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.3 | -55 | 0 | 0 | 0 | 0 | 111.3 | I320 S321 V327 Q328 | I320-T324 WeakPolarHBondContact O-CB 3.33Å; I320-T324 PolarHBondContact O-N 2.88Å; I320-T324 PolarHBondContact O-OG1 2.85Å; S321-T324 CarbonylContact O-C 3.58Å; S321-T324 WeakPolarHBondContact O-CA 3.38Å; S321-T324 WeakPolarHBondContact O-CB 3.36Å; S321-T324 PolarHBondContact O-N 2.97Å; T324-V327 PolarHBondContact O-N 2.92Å; T324-Q328 WeakPolarHBondContact O-CB 3.49Å; T324-Q328 WeakPolarHBondContact O-CG 3.36Å; T324-Q328 PolarHBondContact O-N 2.97Å |
| 325 | D | 95.9 | Very high | 93.2 | Very high | 95 Ų | 95 | 97.1 Ų | 97.1 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 176.5 | -67.1 | -31.2 | 0 | 0 | 0 | 111.6 | S321 Q328 A329 | S321-D325 VanDerWaalsContact O-CG 3.3Å; S321-D325 PolarHBondContact O-N 3.5Å; D325-Q328 PolarHBondContact O-N 3.36Å; D325-A329 WeakPolarHBondContact O-CB 3.41Å; D325-A329 PolarHBondContact O-N 3.34Å |
| 326 | K | 97.1 | Very high | 94 | Very high | 134 Ų | 134 | 97.7 Ų | 97.7 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.1 | -49.6 | 174.8 | -172.9 | -170.1 | 171.7 | -164.5 | 0 | 111 | K322 L323 Q328 A329 E330 | K322-K326 WeakPolarHBondContact O-CB 3.43Å; K322-K326 PolarHBondContact O-N 3.4Å; L323-K326 PolarHBondContact O-N 2.71Å; K326-Q328 VanDerWaalsContact C-N 3.3Å; K326-Q328 PolarHBondContact O-N 3.15Å; K326-A329 WeakPolarHBondContact O-CB 3.19Å; K326-A329 PolarHBondContact O-N 2.94Å; K326-A329 VanDerWaalsContact O-N 3.15Å; K326-E330 WeakPolarHBondContact O-CB 3.35Å; K326-E330 PolarHBondContact O-N 3.43Å |
| 327 | V | 97.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 101.8 Ų | 101.8 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -36 | 179 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | L323 T324 Y331 | L323-V327 HydrophobicContact CD1-CG2 4.49Å; L323-V327 WeakPolarHBondContact O-CG2 3.36Å; L323-V327 PolarHBondContact O-N 3.28Å; T324-V327 PolarHBondContact O-N 2.92Å; V327-Y331 WeakPolarHBondContact O-CB 3.48Å; V327-Y331 PolarHBondContact O-N 3.35Å |
| 328 | Q | 96.9 | Very high | 95.3 | Very high | 84 Ų | 84 | 104.5 Ų | 104.5 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.7 | -37.4 | 172.6 | -75.7 | -173.1 | 34.2 | 0 | 0 | 113.1 | T324 D325 K326 R332 | T324-Q328 WeakPolarHBondContact O-CB 3.49Å; T324-Q328 WeakPolarHBondContact O-CG 3.36Å; T324-Q328 PolarHBondContact O-N 2.97Å; D325-Q328 PolarHBondContact O-N 3.36Å; K326-Q328 VanDerWaalsContact C-N 3.3Å; K326-Q328 PolarHBondContact O-N 3.15Å; Q328-R332 WeakPolarHBondContact O-CB 3.33Å; Q328-R332 VanDerWaalsContact O-CG 3.24Å; Q328-R332 WeakPolarHBondContact O-CG 3.26Å; Q328-R332 PolarHBondContact O-N 2.81Å |
| 329 | A | 95.8 | Very high | 95.6 | Very high | 44 Ų | 44 | 105 Ų | 105 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -49.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D325 K326 Y331 R332 D333 | D325-A329 WeakPolarHBondContact O-CB 3.41Å; D325-A329 PolarHBondContact O-N 3.34Å; K326-A329 WeakPolarHBondContact O-CB 3.19Å; K326-A329 PolarHBondContact O-N 2.94Å; K326-A329 VanDerWaalsContact O-N 3.15Å; A329-Y331 VanDerWaalsContact C-N 3.33Å; A329-Y331 PolarHBondContact O-N 2.93Å; A329-R332 CarbonylContact O-C 3.6Å; A329-R332 WeakPolarHBondContact O-CB 3.42Å; A329-R332 PolarHBondContact O-N 2.94Å; A329-D333 WeakPolarHBondContact O-CB 3.4Å; A329-D333 PolarHBondContact O-N 2.85Å; A329-D333 VanDerWaalsContact O-OD1 3.04Å |
| 330 | E | 96.4 | Very high | 95.7 | Very high | 116 Ų | 116 | 100.7 Ų | 100.7 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 177.9 | -165.5 | 165.2 | 169.1 | 0 | 0 | 112 | K326 D333 A334 | K326-E330 WeakPolarHBondContact O-CB 3.35Å; K326-E330 PolarHBondContact O-N 3.43Å; E330-D333 PolarHBondContact O-N 3.06Å; E330-A334 WeakPolarHBondContact O-CB 3.49Å; E330-A334 PolarHBondContact O-N 3.02Å |
| 331 | Y | 97.4 | Very high | 95.9 | Very high | 165 Ų | 165 | 101.2 Ų | 101.2 | 65% | 0.647 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 171.6 | 178.7 | -94.1 | 0 | 0 | 0 | 113.2 | V327 A329 D333 Y335 | V327-Y331 WeakPolarHBondContact O-CB 3.48Å; V327-Y331 PolarHBondContact O-N 3.35Å; A329-Y331 VanDerWaalsContact C-N 3.33Å; A329-Y331 PolarHBondContact O-N 2.93Å; Y331-D333 VanDerWaalsContact C-N 3.25Å; Y331-D333 PolarHBondContact O-N 3.34Å; Y331-Y335 VanDerWaalsContact O-CB 3.26Å; Y331-Y335 WeakPolarHBondContact O-CB 3.47Å; Y331-Y335 PolarHBondContact O-N 2.9Å |
| 332 | R | 97.1 | Very high | 95.6 | Very high | 139 Ų | 139 | 102.4 Ų | 102.4 | 53% | 0.525 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -33 | 175.9 | -75.4 | 172.7 | -174.5 | 124.2 | 9 | 111.8 | Q328 A329 R336 | Q328-R332 WeakPolarHBondContact O-CB 3.33Å; Q328-R332 VanDerWaalsContact O-CG 3.24Å; Q328-R332 WeakPolarHBondContact O-CG 3.26Å; Q328-R332 PolarHBondContact O-N 2.81Å; A329-R332 CarbonylContact O-C 3.6Å; A329-R332 WeakPolarHBondContact O-CB 3.42Å; A329-R332 PolarHBondContact O-N 2.94Å; R332-R336 VanDerWaalsContact C-NH1 3.26Å; R332-R336 WeakPolarHBondContact O-CG 3.38Å; R332-R336 PolarHBondContact O-N 3.4Å; R332-R336 VanDerWaalsContact O-N 3.09Å; R332-R336 PolarHBondContact O-NH1 2.75Å |
| 333 | D | 97.4 | Very high | 95.2 | Very high | 81 Ų | 81 | 98.9 Ų | 98.9 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.1 | -49.2 | -178.2 | -76.9 | 29.8 | 0 | 0 | 0 | 110.4 | A329 E330 Y331 Y335 R336 E337 | A329-D333 WeakPolarHBondContact O-CB 3.4Å; A329-D333 PolarHBondContact O-N 2.85Å; A329-D333 VanDerWaalsContact O-OD1 3.04Å; E330-D333 PolarHBondContact O-N 3.06Å; Y331-D333 VanDerWaalsContact C-N 3.25Å; Y331-D333 PolarHBondContact O-N 3.34Å; D333-Y335 VanDerWaalsContact C-N 3.27Å; D333-Y335 PolarHBondContact O-N 3.19Å; D333-R336 PolarHBondContact O-N 2.69Å; D333-R336 VanDerWaalsContact O-N 3.14Å; D333-R336 IonicContact OD1-CZ 2.6Å; D333-R336 IonicContact OD1-NH1 2.65Å; D333-R336 PolarHBondContact OD1-NH1 3.38Å; D333-R336 IonicContact OD1-NH2 3.96Å; D333-R336 PolarHBondContact OD1-NH2 2.75Å; D333-R336 IonicContact OD2-NH2 2.75Å; D333-R336 PolarHBondContact OD2-NH2 3.09Å; D333-E337 PolarHBondContact O-N 2.95Å |
| 334 | A | 97.1 | Very high | 94.3 | Very high | 59 Ų | 59 | 100.7 Ų | 100.7 | 49% | 0.488 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.6 | -36.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E330 E337 Y338 | E330-A334 WeakPolarHBondContact O-CB 3.49Å; E330-A334 PolarHBondContact O-N 3.02Å; A334-E337 PolarHBondContact O-N 3.12Å; A334-Y338 WeakPolarHBondContact O-CB 3.37Å; A334-Y338 PolarHBondContact O-N 2.87Å |
| 335 | Y | 97.4 | Very high | 93.2 | Very high | 129 Ų | 129 | 103.9 Ų | 103.9 | 51% | 0.506 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.2 | -37.9 | 175.5 | -172.7 | -107.1 | 0 | 0 | 0 | 112.9 | Y331 D333 I339 | Y331-Y335 VanDerWaalsContact O-CB 3.26Å; Y331-Y335 WeakPolarHBondContact O-CB 3.47Å; Y331-Y335 PolarHBondContact O-N 2.9Å; D333-Y335 VanDerWaalsContact C-N 3.27Å; D333-Y335 PolarHBondContact O-N 3.19Å; Y335-I339 HydrophobicContact CD1-CD1 3.91Å; Y335-I339 HydrophobicContact CE1-CD1 3.49Å; Y335-I339 VanDerWaalsContact CE1-CD1 3.49Å; Y335-I339 WeakPolarHBondContact O-CG1 3.24Å; Y335-I339 PolarHBondContact O-N 3.49Å; Y335-I339 VanDerWaalsContact O-N 3.12Å |
| 336 | R | 96.6 | Very high | 91.6 | Very high | 138 Ų | 138 | 107.8 Ų | 107.8 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 171.1 | -73.6 | -167.6 | -44.3 | -76.2 | 10.3 | 111.5 | R332 D333 I339 A340 | R332-R336 VanDerWaalsContact C-NH1 3.26Å; R332-R336 WeakPolarHBondContact O-CG 3.38Å; R332-R336 PolarHBondContact O-N 3.4Å; R332-R336 VanDerWaalsContact O-N 3.09Å; R332-R336 PolarHBondContact O-NH1 2.75Å; D333-R336 PolarHBondContact O-N 2.69Å; D333-R336 VanDerWaalsContact O-N 3.14Å; D333-R336 IonicContact OD1-CZ 2.6Å; D333-R336 IonicContact OD1-NH1 2.65Å; D333-R336 PolarHBondContact OD1-NH1 3.38Å; D333-R336 IonicContact OD1-NH2 3.96Å; D333-R336 PolarHBondContact OD1-NH2 2.75Å; D333-R336 IonicContact OD2-NH2 2.75Å; D333-R336 PolarHBondContact OD2-NH2 3.09Å; R336-I339 PolarHBondContact O-N 3.45Å; R336-A340 PolarHBondContact O-N 2.94Å |
| 337 | E | 95.6 | Very high | 89.8 | Confident | 116 Ų | 116 | 104.2 Ų | 104.2 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 176.7 | -160.7 | -168.7 | 148 | 0 | 0 | 111.5 | D333 A334 I339 A340 Q341 | D333-E337 PolarHBondContact O-N 2.95Å; A334-E337 PolarHBondContact O-N 3.12Å; E337-I339 VanDerWaalsContact C-N 3.3Å; E337-I339 PolarHBondContact O-N 3.32Å; E337-A340 CarbonylContact O-C 3.57Å; E337-A340 WeakPolarHBondContact O-CA 3.44Å; E337-A340 WeakPolarHBondContact O-CB 3.41Å; E337-A340 PolarHBondContact O-N 2.75Å; E337-Q341 HydrophobicContact CG-CG 4.46Å; E337-Q341 WeakPolarHBondContact O-CG 3.39Å; E337-Q341 PolarHBondContact O-N 2.82Å; E337-Q341 PolarHBondContact OE1-NE2 3.29Å |
| 338 | Y | 96.1 | Very high | 87.2 | Confident | 128 Ų | 128 | 102.8 Ų | 102.8 | 50% | 0.502 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -55.8 | -43.6 | 174.1 | 173.4 | -103.3 | 0 | 0 | 0 | 112 | A334 A340 Q341 M342 | A334-Y338 WeakPolarHBondContact O-CB 3.37Å; A334-Y338 PolarHBondContact O-N 2.87Å; Y338-A340 PolarHBondContact O-N 3.37Å; Y338-Q341 PolarHBondContact O-N 3.06Å; Y338-M342 HydrophobicContact CD1-CG 4.42Å; Y338-M342 HydrophobicContact CD2-CG 4.05Å; Y338-M342 HydrophobicContact CE1-CG 4.01Å; Y338-M342 HydrophobicContact CE2-CG 3.59Å; Y338-M342 HydrophobicContact CE2-SD 3.99Å; Y338-M342 HydrophobicContact CG-CG 4.45Å; Y338-M342 WeakPolarHBondContact O-CB 3.4Å; Y338-M342 VanDerWaalsContact O-CG 3.31Å; Y338-M342 WeakPolarHBondContact O-CG 3.42Å; Y338-M342 PolarHBondContact O-N 3.41Å |
| 339 | I | 95.2 | Very high | 85.1 | Confident | 85 Ų | 85 | 106.3 Ų | 106.3 | 44% | 0.436 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.1 | -41.1 | 173.7 | -70.2 | 168 | 0 | 0 | 0 | 111.4 | Y335 R336 E337 S343 | Y335-I339 HydrophobicContact CD1-CD1 3.91Å; Y335-I339 HydrophobicContact CE1-CD1 3.49Å; Y335-I339 VanDerWaalsContact CE1-CD1 3.49Å; Y335-I339 WeakPolarHBondContact O-CG1 3.24Å; Y335-I339 PolarHBondContact O-N 3.49Å; Y335-I339 VanDerWaalsContact O-N 3.12Å; R336-I339 PolarHBondContact O-N 3.45Å; E337-I339 VanDerWaalsContact C-N 3.3Å; E337-I339 PolarHBondContact O-N 3.32Å; I339-S343 WeakPolarHBondContact O-CB 3.48Å; I339-S343 PolarHBondContact O-N 3.04Å; I339-S343 PolarHBondContact O-OG 3.22Å |
| 340 | A | 94.6 | Very high | 82.9 | Confident | 45 Ų | 45 | 107.7 Ų | 107.7 | 37% | 0.372 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.5 | -33.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R336 E337 Y338 S343 Q344 | R336-A340 PolarHBondContact O-N 2.94Å; E337-A340 CarbonylContact O-C 3.57Å; E337-A340 WeakPolarHBondContact O-CA 3.44Å; E337-A340 WeakPolarHBondContact O-CB 3.41Å; E337-A340 PolarHBondContact O-N 2.75Å; Y338-A340 PolarHBondContact O-N 3.37Å; A340-S343 WeakPolarHBondContact CA-OG 3.46Å; A340-S343 PolarHBondContact O-OG 2.91Å; A340-Q344 WeakPolarHBondContact O-CG 3.28Å; A340-Q344 PolarHBondContact O-NE2 3.33Å |
| 341 | Q | 93.8 | Very high | 80.1 | Confident | 105 Ų | 105 | 107.2 Ų | 107.2 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.6 | -45.9 | 174 | -68.3 | 178.8 | 13.7 | 0 | 0 | 111.2 | E337 Y338 Q344 L345 | E337-Q341 HydrophobicContact CG-CG 4.46Å; E337-Q341 WeakPolarHBondContact O-CG 3.39Å; E337-Q341 PolarHBondContact O-N 2.82Å; E337-Q341 PolarHBondContact OE1-NE2 3.29Å; Y338-Q341 PolarHBondContact O-N 3.06Å; Q341-Q344 PolarHBondContact O-N 2.9Å; Q341-L345 PolarHBondContact O-N 3.38Å |
| 342 | M | 87.3 | Confident | 77.8 | Confident | 84 Ų | 84 | 105.1 Ų | 105.1 | 41% | 0.414 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.1 | -37.1 | -178.9 | -69.4 | -58.5 | -63.6 | 0 | 0 | 112.9 | Y338 Q344 L345 E346 | Y338-M342 HydrophobicContact CD1-CG 4.42Å; Y338-M342 HydrophobicContact CD2-CG 4.05Å; Y338-M342 HydrophobicContact CE1-CG 4.01Å; Y338-M342 HydrophobicContact CE2-CG 3.59Å; Y338-M342 HydrophobicContact CE2-SD 3.99Å; Y338-M342 HydrophobicContact CG-CG 4.45Å; Y338-M342 WeakPolarHBondContact O-CB 3.4Å; Y338-M342 VanDerWaalsContact O-CG 3.31Å; Y338-M342 WeakPolarHBondContact O-CG 3.42Å; Y338-M342 PolarHBondContact O-N 3.41Å; M342-Q344 VanDerWaalsContact C-N 3.3Å; M342-Q344 PolarHBondContact O-N 3.02Å; M342-L345 HydrophobicContact CE-CD2 4.47Å; M342-L345 WeakPolarHBondContact O-CB 3.32Å; M342-L345 PolarHBondContact O-N 3.03Å; M342-E346 PolarHBondContact O-N 2.87Å |
| 343 | S | 85.4 | Confident | 75.2 | Confident | 67 Ų | 67 | 104.4 Ų | 104.4 | 47% | 0.469 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.6 | -30 | 174.7 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | I339 A340 L345 G347 | I339-S343 WeakPolarHBondContact O-CB 3.48Å; I339-S343 PolarHBondContact O-N 3.04Å; I339-S343 PolarHBondContact O-OG 3.22Å; A340-S343 WeakPolarHBondContact CA-OG 3.46Å; A340-S343 PolarHBondContact O-OG 2.91Å; S343-L345 VanDerWaalsContact C-N 3.28Å; S343-L345 PolarHBondContact O-N 3.26Å; S343-G347 PolarHBondContact O-N 3.49Å |
| 344 | Q | 75.9 | Confident | 72.7 | Confident | 149 Ų | 149 | 108.5 Ų | 108.5 | 70% | 0.696 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.1 | -23.7 | 170 | -74.8 | 172.8 | 92.2 | 0 | 0 | 113 | A340 Q341 M342 | A340-Q344 WeakPolarHBondContact O-CG 3.28Å; A340-Q344 PolarHBondContact O-NE2 3.33Å; Q341-Q344 PolarHBondContact O-N 2.9Å; M342-Q344 VanDerWaalsContact C-N 3.3Å; M342-Q344 PolarHBondContact O-N 3.02Å |
| 345 | L | 70.6 | Confident | 70.1 | Confident | 133 Ų | 133 | 111.1 Ų | 111.1 | 70% | 0.696 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -84.6 | -33.6 | 177.3 | -170.3 | 62.7 | 0 | 0 | 0 | 112.4 | Q341 M342 S343 | Q341-L345 PolarHBondContact O-N 3.38Å; M342-L345 HydrophobicContact CE-CD2 4.47Å; M342-L345 WeakPolarHBondContact O-CB 3.32Å; M342-L345 PolarHBondContact O-N 3.03Å; S343-L345 VanDerWaalsContact C-N 3.28Å; S343-L345 PolarHBondContact O-N 3.26Å |
| 346 | E | 62.5 | Low | 66.9 | Low | 178 Ų | 178 | 108.6 Ų | 108.6 | 83% | 0.832 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.4 | -26.3 | 172.5 | -165.2 | 164.9 | -150.3 | 0 | 0 | 112.3 | M342 G348 | M342-E346 PolarHBondContact O-N 2.87Å; E346-G348 PolarHBondContact O-N 3.33Å |
| 347 | G | 59.2 | Low | 64.4 | Low | 59 Ų | 59 | 113.5 Ų | 113.5 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -70.2 | 59.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S343 | S343-G347 PolarHBondContact O-N 3.49Š|
| 348 | G | 43.6 | Very low | 61.4 | Low | 54 Ų | 54 | 113.8 Ų | 113.8 | 56% | 0.557 | 68% | 0.683 | S | S | * | * | | | trans | -55.7 | 154.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | E346 G350 | E346-G348 PolarHBondContact O-N 3.33Å; G348-G350 PolarHBondContact O-N 2.86Å |
| 349 | T | 51.7 | Low | 58.9 | Low | 158 Ų | 158 | 112.9 Ų | 112.9 | 97% | 0.969 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -56.4 | 95.4 | -176.6 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 350 | G | 50.8 | Low | 56.5 | Low | 74 Ų | 74 | 114.3 Ų | 114.3 | 76% | 0.763 | 71% | 0.71 | S | S | * | * | | | trans | -171.2 | 17.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 121 | G348 | G348-G350 PolarHBondContact O-N 2.86Š|
| 351 | S | 37.7 | Very low | 53.3 | Low | 106 Ų | 106 | 120 Ų | 120 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | | | trans | -157.6 | 132.1 | 161.3 | -166.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 352 | S | 48.2 | Very low | 50.3 | Low | 121 Ų | 121 | 118.8 Ų | 118.8 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | | | trans | -131.7 | 95.3 | 164.5 | -74.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 353 | T | 43.4 | Very low | 47.6 | Very low | 123 Ų | 123 | 119 Ų | 119 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | trans | -162.9 | 132.6 | 159.4 | 13.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 354 | I | 43.7 | Very low | 45 | Very low | 167 Ų | 167 | 127 Ų | 127 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | | | trans | 66.3 | 148 | 147.7 | -140.3 | 159.1 | 0 | 0 | 0 | 121 | | |
| 355 | S | 42.1 | Very low | 43.1 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -86.1 | 145.6 | -175.1 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 356 | G | 31.5 | Very low | 41.5 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | | | trans | -156.8 | 93.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 357 | R | 44.1 | Very low | 40.2 | Very low | 241 Ų | 241 | 123.7 Ų | 123.7 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | | | trans | -80.8 | 125.6 | -174.1 | -168.4 | -177.4 | -170.5 | -102.6 | 6.8 | 112.2 | | |
| 358 | S | 31.6 | Very low | 39.2 | Very low | 121 Ų | 121 | 129 Ų | 129 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | trans | -144.1 | 125.1 | 157.7 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 359 | S | 45 | Very low | 38.9 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | trans | -155.1 | 130.4 | 170 | 167.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 360 | P | 43.3 | Very low | 38.1 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | | | trans | -129.8 | 118.2 | 172.6 | 34.5 | -18.2 | 0 | 0 | 0 | 113.7 | | |
| 361 | H | 27.7 | Very low | 37.3 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | | | trans | 65.9 | 153.6 | 147.7 | -98.1 | 26.9 | 0 | 0 | 0 | 118.3 | | |
| 362 | S | 30.3 | Very low | 37 | Very low | 79 Ų | 79 | 130.2 Ų | 130.2 | 55% | 0.552 | 77% | 0.771 | S | S | * | * | | | cis | -163.7 | 173.3 | -10.3 | -141.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 363 | T | 30.9 | Very low | 36.2 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 55% | 0.546 | 77% | 0.772 | S | S | . | * | | | cis | -149.2 | 136.4 | 5.6 | -72.1 | 0 | 0 | 0 | 0 | 108 | | |
| 364 | Y | 31.2 | Very low | 35.6 | Very low | 236 Ų | 236 | 128 Ų | 128 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | | | trans | -155.9 | 127.5 | 131.4 | -73.6 | -59 | 0 | 0 | 0 | 107.9 | | |
| 365 | Y | 36.3 | Very low | 35.2 | Very low | 184 Ų | 184 | 126.8 Ų | 126.8 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -92.2 | 165.5 | 177.7 | -87.7 | -141.6 | 0 | 0 | 0 | 109.2 | | |
| 366 | I | 36.4 | Very low | 34.5 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | | | cis | -146.5 | 148.9 | 6.6 | -136.4 | 162.4 | 0 | 0 | 0 | 107.1 | | |
| 367 | G | 36.2 | Very low | 34.5 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | | | | 96.3 | 139.3 | 79.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 368 | Q | 38.3 | Very low | 33.9 | Very low | 171 Ų | 171 | 126.4 Ų | 126.4 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | cis | -156 | 170.7 | 9.7 | -55.6 | -179.1 | -5.4 | 0 | 0 | 112.8 | | |
| 369 | S | 37.3 | Very low | 33.8 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | 74.4 | 141.9 | 150.6 | -66.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 370 | S | 34.5 | Very low | 33.2 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | cis | -165 | 148.6 | -14.4 | -170.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 371 | S | 32.7 | Very low | 32.5 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | 62 | 151.1 | 168.3 | 71.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 372 | G | 32.1 | Very low | 32.6 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | | | cis | 157.1 | 138.7 | -12.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 373 | G | 31.6 | Very low | 32.6 | Very low | 83 Ų | 83 | 140 Ų | 140 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | trans | 139.4 | 79.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 374 | S | 31.6 | Very low | 32.6 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | 7.5 | 122.4 | 143.5 | -76.2 | 0 | 0 | 0 | 0 | 125.5 | | |
| 375 | I | 34.5 | Very low | 32.7 | Very low | 142 Ų | 142 | 138 Ų | 138 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | | | trans | 60 | 147.9 | 135.2 | 24 | 175.7 | 0 | 0 | 0 | 126.6 | | |
| 376 | H | 28.5 | Very low | 32.2 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | | | trans | 81.1 | 163.8 | 158.3 | -68.7 | -58.1 | 0 | 0 | 0 | 119.6 | | |
| 377 | S | 30.8 | Very low | 31.8 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -146.9 | 140.5 | -141.7 | 56.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 378 | N | 30.6 | Very low | 31.5 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | | | trans | 61.5 | 103.7 | 156.7 | -167.2 | -3.2 | 0 | 0 | 0 | 118.4 | | |
| 379 | L | 29.4 | Very low | 31.2 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | | | trans | -151.6 | 167.6 | 130.7 | -164 | 50.4 | 0 | 0 | 0 | 110.1 | | |
| 380 | E | 32.8 | Very low | 30.8 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | trans | -83.1 | 176.7 | -167.8 | -56.8 | -176.1 | 107.8 | 0 | 0 | 116.2 | | |
| 381 | Q | 28.6 | Very low | 30.6 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | | | trans | 101.4 | 123.2 | 143.1 | -154.9 | 161.6 | 82.6 | 0 | 0 | 118 | | |
| 382 | E | 29.9 | Very low | 30.4 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | trans | -101.3 | 158.6 | 174.3 | -161.4 | -91.3 | 108.8 | 0 | 0 | 109.8 | | |
| 383 | R | 31.3 | Very low | 30.3 | Very low | 216 Ų | 216 | 145.8 Ų | 145.8 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | | | trans | 85.2 | 96.1 | -178.4 | -53.2 | -73 | 163 | 130.3 | 5.5 | 117.6 | | |
| 384 | G | 30.3 | Very low | 30.3 | Very low | 82 Ų | 82 | 144.9 Ų | 144.9 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | | | trans | 179.4 | 110.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 385 | K | 33.6 | Very low | 30.5 | Very low | 202 Ų | 202 | 148 Ų | 148 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | | | trans | -79 | 156.9 | -173.3 | -59.1 | 172 | 174.9 | 178.2 | 0 | 113.7 | | |
| 386 | E | 25.9 | Very low | 30.5 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | trans | 97.4 | 116.5 | 137.5 | -155.3 | 165.7 | 149 | 0 | 0 | 120.6 | | |
| 387 | N | 27.6 | Very low | 30.4 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | | | trans | 62.2 | 119.4 | 147.8 | -61.9 | -5.4 | 0 | 0 | 0 | 120.5 | | |
| 388 | E | 30.6 | Very low | 30.1 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | | 72.3 | 129.2 | 87.6 | -103.2 | -165.7 | 93.6 | 0 | 0 | 113.2 | | |
| 389 | L | 32.1 | Very low | 30.1 | Very low | 112 Ų | 112 | 150 Ų | 150 | 59% | 0.586 | 74% | 0.737 | S | S | * | * | | | cis | -158 | 158.5 | 22.5 | -93.6 | 170.5 | 0 | 0 | 0 | 113.7 | | |
| 390 | K | 29 | Very low | 30.1 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 64% | 0.635 | 73% | 0.731 | S | S | * | * | | | trans | 61.6 | 120.7 | 138.8 | -75.7 | 171 | 179.4 | 149.3 | 0 | 121.7 | | |
| 391 | Q | 30 | Very low | 30.1 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | | 88.5 | 154.3 | 98.1 | -78.7 | 176.9 | -38.5 | 0 | 0 | 114.2 | | |
| 392 | E | 28.1 | Very low | 30.3 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | | | cis | -163.2 | 160.2 | 1.9 | 143.8 | 176 | -120.4 | 0 | 0 | 112.1 | | |
| 393 | E | 29 | Very low | 30.2 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 62% | 0.621 | 73% | 0.727 | S | S | * | * | | | trans | 54 | 167.3 | 164.4 | -78.1 | -130.2 | 90.8 | 0 | 0 | 121.4 | R395 | E393-R395 IonicContact OE1-CZ 3.44Å; E393-R395 VanDerWaalsContact OE1-CZ 3.25Å; E393-R395 IonicContact OE1-NE 3.58Å; E393-R395 PolarHBondContact OE1-NE 3.05Å; E393-R395 IonicContact OE1-NH2 2.71Å; E393-R395 PolarHBondContact OE1-NH2 2.87Å; E393-R395 IonicContact OE2-CZ 3.19Å; E393-R395 IonicContact OE2-NE 3.15Å; E393-R395 IonicContact OE2-NH2 2.69Å; E393-R395 PolarHBondContact OE2-NH2 3.23Å |
| 394 | G | 31.3 | Very low | 30.2 | Very low | 65 Ų | 65 | 143.2 Ų | 143.2 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | | | trans | -169.2 | -78.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 395 | R | 37.4 | Very low | 30.6 | Very low | 178 Ų | 178 | 146.4 Ų | 146.4 | 67% | 0.672 | 73% | 0.727 | S | S | * | * | | | trans | 65.7 | 124.8 | 178.9 | -41.6 | 171.6 | -174.5 | -179.9 | 3.9 | 116.6 | E393 | E393-R395 IonicContact OE1-CZ 3.44Å; E393-R395 VanDerWaalsContact OE1-CZ 3.25Å; E393-R395 IonicContact OE1-NE 3.58Å; E393-R395 PolarHBondContact OE1-NE 3.05Å; E393-R395 IonicContact OE1-NH2 2.71Å; E393-R395 PolarHBondContact OE1-NH2 2.87Å; E393-R395 IonicContact OE2-CZ 3.19Å; E393-R395 IonicContact OE2-NE 3.15Å; E393-R395 IonicContact OE2-NH2 2.69Å; E393-R395 PolarHBondContact OE2-NH2 3.23Å |
| 396 | K | 34.1 | Very low | 30.8 | Very low | 190 Ų | 190 | 143.2 Ų | 143.2 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | | | trans | 54.8 | 160.3 | 143.6 | 77.4 | -178.2 | 175.8 | 179.6 | 0 | 119.3 | | |
| 397 | S | 25.6 | Very low | 31.2 | Very low | 84 Ų | 84 | 143.6 Ų | 143.6 | 59% | 0.587 | 73% | 0.726 | S | S | * | * | | | cis | -164.4 | 146.7 | 2.9 | 14.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 398 | F | 24.7 | Very low | 31.4 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | | | trans | 46 | 125.7 | 143 | -59.4 | -62.5 | 0 | 0 | 0 | 124.3 | | |
| 399 | L | 30.3 | Very low | 31.6 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | trans | 91.1 | 122.9 | 131.7 | -123.6 | 74.2 | 0 | 0 | 0 | 123 | | |
| 400 | M | 28.9 | Very low | 31.6 | Very low | 148 Ų | 148 | 143 Ų | 143 | 73% | 0.729 | 73% | 0.731 | S | S | * | * | | | trans | 57.3 | 136.4 | 139.2 | -82.4 | 169.7 | 43.5 | 0 | 0 | 120 | | |
| 401 | K | 32.8 | Very low | 31.7 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | | | cis | 162.2 | 145.5 | 20.2 | 161.9 | 174.3 | -177.8 | 173 | 0 | 110.2 | | |
| 402 | R | 32.9 | Very low | 31.9 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | | | trans | 75.8 | 155.3 | 162.5 | -82.8 | -177.7 | -168 | 160.7 | -2 | 121.1 | | |
| 403 | G | 28 | Very low | 32.1 | Very low | 75 Ų | 75 | 136.9 Ų | 136.9 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | trans | 120.6 | 69 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 404 | D | 31.6 | Very low | 32.1 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | | | cis | 84.3 | 96.9 | 45.7 | -161.3 | 17.8 | 0 | 0 | 0 | 114.1 | | |
| 405 | V | 39.2 | Very low | 32 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | | | trans | -145.5 | 144.2 | 160.5 | 177.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 406 | L | 38.7 | Very low | 31.7 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 71% | 0.707 | 76% | 0.757 | S | S | * | * | | | trans | -133.1 | 141.9 | -167.1 | 171.1 | 73.2 | 0 | 0 | 0 | 110.4 | | |
| 407 | D | 33.2 | Very low | 31.5 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | | | trans | -143.5 | 93.2 | 156.4 | -104.7 | -38.2 | 0 | 0 | 0 | 113.7 | | |
| 408 | Y | 31.5 | Very low | 31.9 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | 13.4 | 110.2 | 152.5 | -148.3 | -108.8 | 0 | 0 | 0 | 124 | | |
| 409 | S | 36.1 | Very low | 32.3 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 60% | 0.601 | 76% | 0.758 | S | S | * | * | | | | 63.5 | 158.2 | 127 | -47.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 410 | S | 31.6 | Very low | 32.8 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | cis | -153.4 | 160.2 | 14.4 | -156.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 411 | S | 31.5 | Very low | 33.1 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | trans | 58.7 | 124.5 | 166.8 | 60.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 412 | G | 33.4 | Very low | 33.7 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | cis | 174.5 | 165 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 413 | V | 32 | Very low | 34.4 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | | | trans | 58.6 | 106 | 167 | 91.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 414 | S | 28.7 | Very low | 34.8 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | | | cis | 63.5 | 116 | 28.2 | -158.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 415 | T | 30.1 | Very low | 35.1 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | | -144.8 | 146.3 | 63.2 | 52 | 0 | 0 | 0 | 0 | 117.1 | | |
| 416 | N | 30 | Very low | 35.7 | Very low | 136 Ų | 136 | 132 Ų | 132 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -5.4 | 147.3 | 146 | -79.6 | 21.3 | 0 | 0 | 0 | 122.4 | | |
| 417 | E | 31.7 | Very low | 36.2 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | 64.1 | 91.7 | 134.3 | -62.2 | -79.3 | -171.5 | 0 | 0 | 119.9 | | |
| 418 | A | 32.7 | Very low | 36.8 | Very low | 100 Ų | 100 | 132 Ų | 132 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | trans | -161.7 | 155.5 | 140.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 419 | S | 33.8 | Very low | 37.8 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | | | trans | -58.4 | 154.2 | 177.9 | -44.5 | 0 | 0 | 0 | 0 | 114 | L421 | S419-L421 PolarHBondContact O-N 3.47Š|
| 420 | P | 40.9 | Very low | 37.8 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -63.2 | 104.9 | 148 | 29.8 | -30.6 | 0 | 0 | 0 | 107.6 | | |
| 421 | L | 34.3 | Very low | 38 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | | | trans | -69.1 | 147 | 170.6 | -69.1 | 167 | 0 | 0 | 0 | 109.3 | S419 P423 | S419-L421 PolarHBondContact O-N 3.47Å; L421-P423 WeakPolarHBondContact O-CD 3.38Å |
| 422 | D | 45 | Very low | 38.2 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -55.4 | 127.2 | 172.4 | -62.5 | -68.9 | 0 | 0 | 0 | 110.6 | I424 | D422-I424 PolarHBondContact O-N 3Š|
| 423 | P | 47.8 | Very low | 38.2 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -69.5 | 80.6 | 167.6 | -19.4 | 34.4 | 0 | 0 | 0 | 110.5 | L421 | L421-P423 WeakPolarHBondContact O-CD 3.38Š|
| 424 | I | 36.7 | Very low | 38.2 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | 7.2 | 128.2 | 154.8 | 46.4 | 167.6 | 0 | 0 | 0 | 117.8 | D422 E426 | D422-I424 PolarHBondContact O-N 3Å; I424-E426 PolarHBondContact O-N 3.08Å |
| 425 | T | 39 | Very low | 38.4 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | trans | -56 | 120.8 | 158.7 | 45.6 | 0 | 0 | 0 | 0 | 110.6 | E427 | T425-E427 VanDerWaalsContact C-N 3.25Å; T425-E427 PolarHBondContact O-N 2.91Å |
| 426 | E | 51.2 | Low | 38.4 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | | | trans | -78.9 | 64.1 | 179.9 | 57.7 | -172.9 | 140.8 | 0 | 0 | 113.3 | I424 | I424-E426 PolarHBondContact O-N 3.08Š|
| 427 | E | 49.8 | Very low | 38.8 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -110.7 | 93.7 | 158.2 | -74.2 | -159.8 | 114.3 | 0 | 0 | 110.1 | T425 | T425-E427 VanDerWaalsContact C-N 3.25Å; T425-E427 PolarHBondContact O-N 2.91Å |
| 428 | D | 46.1 | Very low | 39 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | | | | -176.5 | 128.3 | 118.4 | -164.3 | 35.6 | 0 | 0 | 0 | 112.2 | K430 | D428-K430 IonicContact OD1-NZ 3.1Å; D428-K430 PolarHBondContact OD1-NZ 3.08Å; D428-K430 IonicContact OD2-NZ 3.25Å |
| 429 | E | 50.6 | Low | 39 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | | | trans | -125.3 | 99.8 | 155.9 | -170.1 | -168.2 | 125.1 | 0 | 0 | 109.2 | | |
| 430 | K | 38 | Very low | 39.6 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 70% | 0.7 | 78% | 0.779 | S | S | * | * | | | trans | -161.3 | 146 | 153.6 | 47.2 | -166.6 | 169.5 | -64.8 | 0 | 110.8 | D428 | D428-K430 IonicContact OD1-NZ 3.1Å; D428-K430 PolarHBondContact OD1-NZ 3.08Å; D428-K430 IonicContact OD2-NZ 3.25Å |
| 431 | S | 35 | Very low | 39 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | trans | -83.7 | 170.2 | -159.9 | -54.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 432 | D | 34.8 | Very low | 38.8 | Very low | 130 Ų | 130 | 141 Ų | 141 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | trans | 101.1 | 123.4 | 141.2 | -84.5 | -73.1 | 0 | 0 | 0 | 121.3 | | |
| 433 | Q | 35.3 | Very low | 38.2 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | 80.6 | 112.1 | 138.4 | -74.4 | 163.7 | 56.2 | 0 | 0 | 121.6 | | |
| 434 | S | 31.3 | Very low | 37.3 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | | 71.7 | 111.3 | 123.3 | -60 | 0 | 0 | 0 | 0 | 119.9 | | |
| 435 | G | 31.9 | Very low | 37 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | | 126.8 | 105.7 | 115.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 436 | S | 31.3 | Very low | 36.4 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | | 57.5 | 100 | 128.8 | 178.8 | 0 | 0 | 0 | 0 | 120 | | |
| 437 | K | 37.5 | Very low | 35.6 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | | 80.3 | 135.6 | 129.5 | -65 | 175.6 | -171.3 | 169.8 | 0 | 120.4 | | |
| 438 | L | 35.6 | Very low | 35.3 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | 74.1 | 104.3 | 149.2 | -64.6 | 163.7 | 0 | 0 | 0 | 119.5 | | |
| 439 | L | 32.8 | Very low | 34.7 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | | 30.7 | 150.4 | 105.3 | -54.9 | 179.5 | 0 | 0 | 0 | 119.6 | | |
| 440 | P | 47.5 | Very low | 33.9 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | cis | -145.9 | 155.8 | -43.3 | 38.6 | -21.2 | 0 | 0 | 0 | 115.4 | | |
| 441 | G | 28.7 | Very low | 34.1 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | | 95 | 160.1 | 125.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 442 | K | 29.7 | Very low | 34 | Very low | 203 Ų | 203 | 141 Ų | 141 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | trans | 66.1 | 131.2 | 154 | -67.3 | -179.7 | 173.3 | 175.5 | 0 | 120.9 | | |
| 443 | K | 30.9 | Very low | 33.9 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | | | trans | 64.3 | 100.9 | 147.1 | 69.7 | 174.6 | -173.5 | 171.9 | 0 | 120 | | |
| 444 | S | 30.7 | Very low | 33.8 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | | 18.5 | 119.5 | 126.3 | 59 | 0 | 0 | 0 | 0 | 119.6 | | |
| 445 | S | 29.2 | Very low | 34 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | | -173.8 | 162.4 | 109.4 | -150.8 | 0 | 0 | 0 | 0 | 113 | | |
| 446 | E | 26.1 | Very low | 34 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | 43.8 | 109.2 | 151.6 | -72.8 | 151.1 | 123.9 | 0 | 0 | 123.2 | | |
| 447 | R | 33.9 | Very low | 34.2 | Very low | 230 Ų | 230 | 148.9 Ų | 148.9 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | | | | 4.1 | 163.3 | 121.8 | -83.4 | -173.9 | 167.7 | 175.9 | -3.5 | 119.8 | | |
| 448 | P | 44.7 | Very low | 33.9 | Very low | 108 Ų | 108 | 150 Ų | 150 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | cis | -145.2 | 173.4 | -26.5 | 40.5 | -22.5 | 0 | 0 | 0 | 116.1 | | |
| 449 | S | 33.7 | Very low | 33.8 | Very low | 85 Ų | 85 | 146.3 Ų | 146.3 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | | | trans | 30.4 | 125.4 | 140.4 | -170.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 450 | L | 34.3 | Very low | 33.7 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | | -153.6 | 155.6 | 119.8 | -147 | 65.6 | 0 | 0 | 0 | 113.3 | | |
| 451 | F | 40.8 | Very low | 33 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | trans | -85.4 | -170.8 | 174.4 | -61.7 | -100.3 | 0 | 0 | 0 | 109.7 | | |
| 452 | Q | 33.9 | Very low | 33.2 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | cis | 175 | 151.8 | 40.3 | -177.5 | 167.7 | 67.2 | 0 | 0 | 110.6 | | |
| 453 | T | 31.8 | Very low | 33.3 | Very low | 143 Ų | 143 | 146 Ų | 146 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | | | trans | -156.8 | 158 | 149.1 | 44.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 454 | D | 33.1 | Very low | 33.3 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 60% | 0.604 | 78% | 0.777 | S | S | * | * | | | | -161 | 110.1 | -55.9 | -169 | -13.9 | 0 | 0 | 0 | 110 | | |
| 455 | L | 35 | Very low | 33.3 | Very low | 172 Ų | 172 | 150.4 Ų | 150.4 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | | | trans | -164.9 | 142 | 157.7 | -141.5 | 73 | 0 | 0 | 0 | 112.1 | | |
| 456 | K | 33.7 | Very low | 33.5 | Very low | 153 Ų | 153 | 153.9 Ų | 153.9 | 67% | 0.665 | 78% | 0.782 | S | S | * | * | | | | -158.2 | 124.3 | -79.1 | 170.5 | 167.1 | 62.2 | -164.1 | 0 | 111 | | |
| 457 | L | 34.5 | Very low | 33.9 | Very low | 158 Ų | 158 | 153.7 Ų | 153.7 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -176 | 124.7 | 134.5 | -122.9 | 81.9 | 0 | 0 | 0 | 112.5 | | |
| 458 | K | 31.5 | Very low | 34.3 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | | | trans | 52.6 | 112.4 | 143.6 | -161 | 178.8 | -172.7 | -178.2 | 0 | 119.2 | | |
| 459 | G | 34.3 | Very low | 33.8 | Very low | 70 Ų | 70 | 147.2 Ų | 147.2 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | cis | 150.6 | 140.3 | -5.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 460 | S | 30.5 | Very low | 33.8 | Very low | 134 Ų | 134 | 149.9 Ų | 149.9 | 94% | 0.937 | 78% | 0.783 | S | S | * | * | | | trans | 69.4 | 140.1 | -175.6 | -157.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 461 | G | 32 | Very low | 33.9 | Very low | 61 Ų | 61 | 149.9 Ų | 149.9 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | | | cis | 159.7 | 137.2 | -10.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 462 | L | 33 | Very low | 33.8 | Very low | 146 Ų | 146 | 149 Ų | 149 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | trans | 77.7 | 112 | 158.8 | -51.4 | 175.2 | 0 | 0 | 0 | 120.9 | | |
| 463 | R | 32.6 | Very low | 34.2 | Very low | 198 Ų | 198 | 149 Ų | 149 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | | 98 | 125.2 | 111.6 | 87.6 | -148.9 | -132.7 | 166.8 | 2.8 | 124 | | |
| 464 | Y | 29 | Very low | 34.2 | Very low | 215 Ų | 215 | 147.9 Ų | 147.9 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | 83.9 | 149.1 | 143.4 | -72.4 | -55 | 0 | 0 | 0 | 123.4 | | |
| 465 | Q | 31 | Very low | 34.2 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | 76.2 | 124.1 | 163 | -68 | -68.9 | 25.7 | 0 | 0 | 121.8 | | |
| 466 | K | 35.2 | Very low | 34.2 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | | | trans | -70.6 | 144.6 | 172 | 168.5 | -167.6 | 178.5 | -169.1 | 0 | 111.3 | | |
| 467 | L | 33.4 | Very low | 34.2 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | | | trans | -130.8 | 163.8 | 158.2 | -80.8 | -176.1 | 0 | 0 | 0 | 109.7 | | |
| 468 | P | 42.2 | Very low | 34.3 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | | | trans | -122.2 | -171.3 | -132.3 | 44.9 | -36.4 | 0 | 0 | 0 | 115.5 | | |
| 469 | S | 33.4 | Very low | 34.6 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | | | trans | -73.2 | 149.8 | 150.8 | -49.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 470 | D | 33.7 | Very low | 34.9 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | trans | 180 | 142.2 | 134.2 | -79.9 | -11.9 | 0 | 0 | 0 | 103.9 | | |
| 471 | E | 38.1 | Very low | 34.9 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | cis | 75.1 | 139.3 | 40.4 | -56.2 | -159 | 116.6 | 0 | 0 | 113.5 | | |
| 472 | D | 38.1 | Very low | 35 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | 63.9 | 147.7 | 170.6 | -69.1 | -27.5 | 0 | 0 | 0 | 118.9 | | |
| 473 | E | 41.9 | Very low | 35.9 | Very low | 171 Ų | 171 | 148.1 Ų | 148.1 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | cis | -160.8 | 167.6 | 0.8 | 157.9 | 173.9 | 88.9 | 0 | 0 | 110.3 | | |
| 474 | S | 32.6 | Very low | 35.8 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | 76.3 | 145.9 | 169.8 | 78.2 | 0 | 0 | 0 | 0 | 118 | | |
| 475 | G | 31.9 | Very low | 35.9 | Very low | 75 Ų | 75 | 142.8 Ų | 142.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | cis | -162.4 | 156.4 | -0.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 476 | T | 36.3 | Very low | 36 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -64.6 | 149.4 | -177.5 | 48.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 477 | E | 34.1 | Very low | 35.8 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | | | | -160.5 | 139.2 | 124 | 50.3 | -166.3 | 148.1 | 0 | 0 | 114 | | |
| 478 | E | 35.9 | Very low | 35.8 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -119.4 | 152.8 | 159.1 | 59.4 | 172.8 | -176.1 | 0 | 0 | 106.2 | | |
| 479 | S | 37.7 | Very low | 35.2 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | | 173.6 | 177.4 | 65 | 41.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 480 | D | 40.2 | Very low | 35.2 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -123.6 | 157.7 | 174.1 | -173.4 | 12.7 | 0 | 0 | 0 | 110.3 | | |
| 481 | N | 30.8 | Very low | 35.2 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | | | trans | 139.9 | 114 | 151.8 | -82.3 | -83.9 | 0 | 0 | 0 | 116.3 | | |
| 482 | T | 33.7 | Very low | 34.9 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | trans | 70.3 | 148.1 | 141.1 | 60.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 483 | P | 51.2 | Low | 34.8 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | -101.2 | 154.9 | -178.5 | 38.8 | -34.2 | 0 | 0 | 0 | 114 | | |
| 484 | L | 31.5 | Very low | 34 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | trans | -167.2 | 149.4 | 148.1 | -110.2 | 164.1 | 0 | 0 | 0 | 114.4 | | |
| 485 | L | 31.9 | Very low | 34.1 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | | | trans | -25.6 | 132.4 | 172.2 | -64.9 | 161 | 0 | 0 | 0 | 118.5 | | |
| 486 | K | 32.4 | Very low | 34.2 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | | | | -169.8 | 164.1 | 102.6 | -104.7 | 156.9 | -173.2 | 166.5 | 0 | 115.9 | | |
| 487 | D | 30.2 | Very low | 34 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | -87 | 144.2 | -169.2 | -42.8 | -108.3 | 0 | 0 | 0 | 114.3 | | |
| 488 | D | 34.6 | Very low | 33.7 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | | 176.2 | 120.1 | 128.2 | -103.6 | -38.1 | 0 | 0 | 0 | 107.8 | | |
| 489 | K | 29.3 | Very low | 33.6 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | | | | 68.8 | 110.2 | 86.1 | 179.3 | -173.5 | 175.2 | -171.1 | 0 | 111.5 | | |
| 490 | D | 33.9 | Very low | 33.1 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | | | | -154.7 | 128.7 | 67.4 | -105.6 | -27.2 | 0 | 0 | 0 | 112.2 | | |
| 491 | K | 33.6 | Very low | 32.6 | Very low | 161 Ų | 161 | 142 Ų | 142 | 70% | 0.7 | 76% | 0.758 | S | S | * | * | | | | 81.7 | 142.2 | 96.5 | -84.4 | -171.6 | -161.2 | 97.6 | 0 | 118 | | |
| 492 | K | 31.2 | Very low | 32.5 | Very low | 208 Ų | 208 | 145.6 Ų | 145.6 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | | | trans | 71.3 | 143.1 | 168.9 | -73.7 | -170.8 | 173.3 | -171.5 | 0 | 116.5 | | |
| 493 | A | 35.3 | Very low | 32.1 | Very low | 82 Ų | 82 | 145 Ų | 145 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | cis | -141.1 | 132 | -7.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 494 | E | 26.8 | Very low | 31.3 | Very low | 189 Ų | 189 | 145 Ų | 145 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | | | | 56.9 | 110.5 | 102 | -165.6 | 173.5 | -159.6 | 0 | 0 | 115.4 | | |
| 495 | G | 34.6 | Very low | 31 | Very low | 75 Ų | 75 | 145.5 Ų | 145.5 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | -173.2 | 103.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 496 | K | 32.2 | Very low | 30.9 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | -92 | 173.4 | 178.3 | -73.5 | -178.9 | 177.6 | 174.6 | 0 | 111.3 | | |
| 497 | A | 32.5 | Very low | 30.5 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | | | trans | 78.9 | 149.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 498 | E | 28.9 | Very low | 30.3 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | | | cis | -161.8 | 149.4 | -22.2 | 173.7 | 161.8 | -174 | 0 | 0 | 110.5 | | |
| 499 | R | 32.7 | Very low | 30 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | 21.7 | 128.6 | 162.2 | -72.1 | -173.6 | -102.2 | -157.8 | -4.4 | 122.1 | | |
| 500 | V | 27.7 | Very low | 31.1 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | | 60.9 | 98.9 | 127.2 | -172.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 501 | A | 30.7 | Very low | 31 | Very low | 89 Ų | 89 | 141 Ų | 141 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | trans | -156.7 | 119.3 | 131.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 502 | K | 27.8 | Very low | 31 | Very low | 202 Ų | 202 | 143.3 Ų | 143.3 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | | | | 51.6 | 115.9 | 96.2 | -70 | -170 | 175.6 | -175 | 0 | 114.7 | | |
| 503 | S | 24.9 | Very low | 31.3 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | -67 | 165.4 | 162.8 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 504 | P | 35.5 | Very low | 31.3 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | | -143.1 | 175.3 | 79.7 | 39.5 | -22.3 | 0 | 0 | 0 | 116.8 | | |
| 505 | E | 23.7 | Very low | 31.9 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | -34.9 | 134.4 | 173.7 | -72 | 146.8 | 109.7 | 0 | 0 | 121 | | |
| 506 | H | 29.5 | Very low | 32 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | | 74 | 146.7 | 118.4 | -145.9 | -83.5 | 0 | 0 | 0 | 121.4 | | |
| 507 | S | 24 | Very low | 32.1 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | 74.1 | 154 | 166.9 | 92.5 | 0 | 0 | 0 | 0 | 116 | | |
| 508 | V | 27.4 | Very low | 32 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | cis | -166.9 | 162.2 | -10.9 | 109.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 509 | E | 28 | Very low | 32.3 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | 71.3 | -174.9 | 159.3 | -91.8 | -179.5 | -137.3 | 0 | 0 | 119.1 | | |
| 510 | P | 51.4 | Low | 32.4 | Very low | 90 Ų | 90 | 148.9 Ų | 148.9 | 58% | 0.584 | 77% | 0.77 | S | S | * | * | | | | -148.7 | -158.4 | -85.8 | 43.5 | -20.1 | 0 | 0 | 0 | 116.9 | | |
| 511 | I | 31.9 | Very low | 32.9 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 65% | 0.651 | 77% | 0.765 | S | S | * | * | | | trans | 85 | 143.4 | 142.4 | -86.4 | 176.1 | 0 | 0 | 0 | 121.8 | | |
| 512 | R | 33.3 | Very low | 33.2 | Very low | 209 Ų | 209 | 149.4 Ų | 149.4 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | | | trans | 65.5 | 110.7 | 166.9 | -76.9 | 150.5 | -159.4 | 168.2 | 6.7 | 117.8 | | |
| 513 | T | 39.5 | Very low | 33.5 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | | | | 65.5 | 123.6 | 61.4 | 71.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 514 | F | 33.6 | Very low | 34.1 | Very low | 217 Ų | 217 | 145.5 Ų | 145.5 | 95% | 0.952 | 76% | 0.756 | S | S | * | * | | | trans | -141.6 | 164.9 | 147.3 | -91.3 | -68.8 | 0 | 0 | 0 | 111.3 | | |
| 515 | I | 40.5 | Very low | 34.6 | Very low | 153 Ų | 153 | 147.4 Ų | 147.4 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | -127.8 | 132.8 | -156.7 | -65.1 | 154.3 | 0 | 0 | 0 | 111.5 | | |
| 516 | K | 35.5 | Very low | 35.8 | Very low | 208 Ų | 208 | 146.2 Ų | 146.2 | 90% | 0.904 | 76% | 0.758 | S | S | * | * | | | trans | -158.8 | 144.5 | 134.9 | -141.5 | 162.7 | -175.8 | 173.1 | 0 | 111.6 | | |
| 517 | A | 34.2 | Very low | 36.3 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | | | trans | -116.3 | 158.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 518 | K | 31.5 | Very low | 37 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | | | trans | -161.9 | 122.9 | 145.6 | -165.5 | 169.9 | 175.6 | -168.5 | 0 | 112 | | |
| 519 | E | 33.9 | Very low | 38.2 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | | | trans | 59.1 | 142 | 157.7 | -73.7 | 155.3 | -158.3 | 0 | 0 | 121.3 | | |
| 520 | Y | 35.2 | Very low | 38.5 | Very low | 207 Ų | 207 | 145.9 Ų | 145.9 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | | | cis | -159.3 | 175.7 | -30.5 | -138.5 | -99.1 | 0 | 0 | 0 | 108.7 | | |
| 521 | L | 38.6 | Very low | 37.9 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 71% | 0.707 | 74% | 0.744 | S | S | * | * | | | trans | -45 | 158.8 | -179.5 | -64.9 | 172.8 | 0 | 0 | 0 | 115.9 | | |
| 522 | S | 37 | Very low | 38.6 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | cis | -153.9 | 158.4 | 46.2 | -56.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 523 | D | 34.9 | Very low | 38.8 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | 42.9 | 119.5 | 148.7 | -52.7 | -17.4 | 0 | 0 | 0 | 119.4 | | |
| 524 | A | 37.9 | Very low | 39 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | cis | 71.9 | 90.9 | 24.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 525 | L | 45.5 | Very low | 39.2 | Very low | 156 Ų | 156 | 135 Ų | 135 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | | | trans | -153.8 | 126.2 | 144.4 | -87.5 | 172.1 | 0 | 0 | 0 | 104.2 | | |
| 526 | L | 48.6 | Very low | 39.3 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | | 58.3 | 133.4 | 61.1 | -64.1 | 177.9 | 0 | 0 | 0 | 112.6 | | |
| 527 | D | 40.8 | Very low | 39.7 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 59% | 0.588 | 75% | 0.747 | S | S | * | * | | | cis | -173.9 | 166.2 | -6.9 | -175.3 | 9.9 | 0 | 0 | 0 | 107.8 | | |
| 528 | K | 37.8 | Very low | 39.7 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | | | trans | 69.3 | 125.3 | 164.1 | -57.4 | -150 | 171.3 | 62.5 | 0 | 116.5 | | |
| 529 | K | 51.6 | Low | 39.9 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | | | | 104.4 | 143.9 | 67.4 | -171.4 | 165.4 | 174 | 171.2 | 0 | 108.8 | | |
| 530 | D | 34.4 | Very low | 39.9 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | | | cis | -147.6 | 168.9 | 19.8 | -140.8 | -13.7 | 0 | 0 | 0 | 112.9 | | |
| 531 | S | 38.8 | Very low | 39.8 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | trans | 64.2 | 154.6 | 156.5 | -58.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 532 | S | 46.9 | Very low | 39.8 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | | | cis | -164.3 | 153.1 | -23.6 | -96.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 533 | D | 37.6 | Very low | 40 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | | | trans | 18.3 | 125.1 | 138.3 | -156.3 | 31.1 | 0 | 0 | 0 | 118.2 | | |
| 534 | S | 43.2 | Very low | 39.8 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | | | | -169.1 | 172.5 | 50.2 | 49.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 535 | G | 38.8 | Very low | 39.5 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | | | cis | 147.8 | 81.6 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 536 | V | 42.9 | Very low | 38.9 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | | | trans | -144 | 138.2 | 157.9 | -85.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 537 | R | 43.1 | Very low | 38.1 | Very low | 251 Ų | 251 | 135.4 Ų | 135.4 | 95% | 0.947 | 76% | 0.759 | S | S | * | * | | | trans | -130.1 | 137.9 | 172.3 | -60.5 | 171.5 | 86.2 | 146.2 | 2.6 | 107.6 | | |
| 538 | S | 33.9 | Very low | 37.5 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | -133.9 | 116.6 | 170.4 | -62.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 539 | N | 36.1 | Very low | 37.2 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | | | trans | 165.7 | 106.4 | 149.9 | -89.5 | -1.4 | 0 | 0 | 0 | 108.3 | | |
| 540 | E | 33.3 | Very low | 36.6 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | | | trans | -151.5 | 150.3 | 140.5 | -168.6 | 51.5 | -90.7 | 0 | 0 | 109.3 | | |
| 541 | S | 33.8 | Very low | 36.5 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | | | trans | -70 | -174.8 | -178.5 | -38.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 542 | S | 39.8 | Very low | 36.2 | Very low | 87 Ų | 87 | 136.2 Ų | 136.2 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | | | cis | -162.7 | -178.5 | 5.1 | -152.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 543 | P | 40.6 | Very low | 35.5 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | | -142.8 | 147.7 | 70 | 34.9 | -15.3 | 0 | 0 | 0 | 116.3 | | |
| 544 | N | 31 | Very low | 35.1 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | -68.2 | 155.1 | 162.5 | -71.2 | -68.5 | 0 | 0 | 0 | 111.7 | | |
| 545 | H | 31.1 | Very low | 34.7 | Very low | 191 Ų | 191 | 136.9 Ų | 136.9 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | | | trans | -124.2 | 123.2 | 152.3 | -139.3 | -73.2 | 0 | 0 | 0 | 108.5 | | |
| 546 | S | 33.1 | Very low | 34.2 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | | | trans | -75.3 | 142.5 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 547 | L | 31.5 | Very low | 33.9 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | | | | -164.8 | 140.9 | 103.9 | -96.9 | 172.5 | 0 | 0 | 0 | 110.6 | | |
| 548 | H | 28.3 | Very low | 33.5 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | -122.5 | 121.4 | 172.3 | 169.2 | 56.5 | 0 | 0 | 0 | 106.8 | | |
| 549 | N | 31.8 | Very low | 33.8 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | -81.6 | 147.6 | 168.3 | -79.4 | 4.8 | 0 | 0 | 0 | 109.5 | | |
| 550 | E | 37.7 | Very low | 33.7 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | -171.2 | 159.4 | 133.8 | -103 | -75.4 | 47.4 | 0 | 0 | 111.7 | | |
| 551 | A | 32.2 | Very low | 33.6 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | | | trans | 61.1 | 81.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 552 | A | 34.5 | Very low | 33.6 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | 175 | 138.8 | 134.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 553 | D | 30.6 | Very low | 33.4 | Very low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | cis | -159.1 | 174.3 | -19.3 | -164.1 | 2.7 | 0 | 0 | 0 | 107.6 | | |
| 554 | D | 29.9 | Very low | 33 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | 83.8 | 133.5 | 154.3 | -134.5 | -24.9 | 0 | 0 | 0 | 121.8 | | |
| 555 | S | 33.9 | Very low | 33.3 | Very low | 88 Ų | 88 | 144.2 Ų | 144.2 | 62% | 0.615 | 78% | 0.775 | S | S | * | * | | | trans | 62.6 | 73.1 | 150 | -72.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 556 | Q | 28.5 | Very low | 33.2 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -66.7 | 119.4 | 135.8 | 171.2 | -172 | -26.8 | 0 | 0 | 109.4 | | |
| 557 | L | 37.7 | Very low | 33.4 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | | | trans | -137.8 | 121.5 | 161.2 | -83.4 | -179.5 | 0 | 0 | 0 | 112 | | |
| 558 | E | 34 | Very low | 33.4 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | | | trans | -67.4 | 143.4 | 164.1 | -60.7 | 168.4 | 89.2 | 0 | 0 | 110.6 | | |
| 559 | K | 39.2 | Very low | 33.6 | Very low | 212 Ų | 212 | 140.1 Ų | 140.1 | 92% | 0.922 | 77% | 0.766 | S | S | * | * | | | trans | -157.5 | 129.5 | 138.2 | -120.8 | 165.9 | -173.2 | 172.6 | 0 | 112.9 | | |
| 560 | A | 35.3 | Very low | 33.7 | Very low | 76 Ų | 76 | 140.8 Ų | 140.8 | 63% | 0.628 | 76% | 0.764 | S | S | * | * | | | trans | -103.6 | 165.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 561 | N | 30.9 | Very low | 33.3 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | 73.5 | 145.2 | 177.5 | -40.4 | -75.8 | 0 | 0 | 0 | 113.3 | | |
| 562 | L | 32.9 | Very low | 33.3 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | | | cis | -174.8 | 147.7 | 43.6 | -168.3 | 69.7 | 0 | 0 | 0 | 110.1 | | |
| 563 | I | 36.8 | Very low | 33.4 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | trans | 68.2 | 135.1 | 164.9 | -75.6 | 155.7 | 0 | 0 | 0 | 116.8 | | |
| 564 | E | 31.1 | Very low | 33.6 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | cis | 120.5 | 164 | 13.5 | 178.4 | 173.7 | -120.5 | 0 | 0 | 111.4 | | |
| 565 | L | 38 | Very low | 33.5 | Very low | 136 Ų | 136 | 143 Ų | 143 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | | | trans | 83.3 | 121.2 | -169.4 | -49.5 | 177.6 | 0 | 0 | 0 | 114.3 | | |
| 566 | E | 29.5 | Very low | 33.6 | Very low | 170 Ų | 170 | 147.3 Ų | 147.3 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | | 82.7 | 140.1 | 51 | -70.5 | 174.9 | -171.5 | 0 | 0 | 113.1 | | |
| 567 | D | 36.9 | Very low | 34.5 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | cis | -164.9 | 177.4 | -12.7 | -176.2 | 28.4 | 0 | 0 | 0 | 109.7 | | |
| 568 | E | 31.8 | Very low | 34.2 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | | | trans | 68.3 | 150.7 | 163.9 | -87.2 | -143.4 | 87.1 | 0 | 0 | 121.5 | H570 | E568-H570 IonicContact OE1-CE1 3.15Å; E568-H570 PolarHBondContact OE1-CE1 3.26Å; E568-H570 IonicContact OE1-ND1 2.88Å; E568-H570 PolarHBondContact OE1-ND1 3Å |
| 569 | G | 31.9 | Very low | 33.9 | Very low | 75 Ų | 75 | 141.7 Ų | 141.7 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | 164.4 | 43.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 570 | H | 33.9 | Very low | 33.6 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | | | trans | -53.1 | 148.4 | -171.1 | -71.5 | 93.4 | 0 | 0 | 0 | 119.1 | E568 | E568-H570 IonicContact OE1-CE1 3.15Å; E568-H570 PolarHBondContact OE1-CE1 3.26Å; E568-H570 IonicContact OE1-ND1 2.88Å; E568-H570 PolarHBondContact OE1-ND1 3Å |
| 571 | S | 29.9 | Very low | 33.3 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | | | trans | 75.6 | 160.7 | 160.2 | 83 | 0 | 0 | 0 | 0 | 119.3 | | |
| 572 | G | 31.6 | Very low | 33.2 | Very low | 66 Ų | 66 | 138.1 Ų | 138.1 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | | | cis | 165.9 | 118 | -13.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 573 | K | 37.2 | Very low | 33.2 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | | | trans | 59.6 | 122.4 | 156.4 | -69.1 | -177.7 | 179.6 | 175.2 | 0 | 122.1 | | |
| 574 | R | 34.6 | Very low | 33 | Very low | 245 Ų | 245 | 140.7 Ų | 140.7 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | | | trans | 73.4 | 147.4 | 150.3 | -61.1 | 175.5 | -66.1 | -167.1 | 0.3 | 119.2 | | |
| 575 | G | 27.2 | Very low | 33.3 | Very low | 70 Ų | 70 | 139.7 Ų | 139.7 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | 146.3 | 96.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 576 | M | 37 | Very low | 33.9 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | trans | -80.8 | 152 | 150 | -64.5 | -77.4 | 99.1 | 0 | 0 | 108.1 | | |
| 577 | P | 47.8 | Very low | 34.6 | Very low | 100 Ų | 100 | 135 Ų | 135 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | | | | -139.5 | 163.3 | 77.6 | 24.7 | -1.2 | 0 | 0 | 0 | 113.6 | | |
| 578 | H | 29.7 | Very low | 34.7 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | | | | -164.5 | 162.6 | 70.3 | -83.8 | -80.3 | 0 | 0 | 0 | 112.9 | | |
| 579 | S | 28.3 | Very low | 35.2 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -80.4 | 171 | -179.9 | -44.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 580 | L | 32.3 | Very low | 35.4 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | | | | -160.1 | 166 | 57.1 | -74.9 | 166.3 | 0 | 0 | 0 | 113.8 | | |
| 581 | S | 29.9 | Very low | 35.1 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | -82.8 | 171.6 | 163.3 | -48.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 582 | G | 29 | Very low | 35.2 | Very low | 67 Ų | 67 | 139.7 Ų | 139.7 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | cis | 162.9 | -171.9 | -0.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 583 | L | 31.8 | Very low | 35.4 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | 71.8 | 93 | 164.9 | -73.4 | 155.4 | 0 | 0 | 0 | 121.7 | | |
| 584 | Q | 33.7 | Very low | 35.2 | Very low | 172 Ų | 172 | 140 Ų | 140 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | | 38.7 | 126.1 | 117.9 | -82.4 | 145.7 | 26.9 | 0 | 0 | 124.8 | | |
| 585 | D | 36.6 | Very low | 35.4 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | | | trans | 67.7 | 168.3 | 136.2 | -103.9 | 19.4 | 0 | 0 | 0 | 120.1 | | |
| 586 | P | 52.2 | Low | 35.8 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 59% | 0.591 | 78% | 0.775 | S | S | * | * | | | cis | -134.3 | -166 | 10.5 | 43.4 | -24.6 | 0 | 0 | 0 | 117.1 | F710 | P586-F710 HydrophobicContact CB-CE1 4.35Å; P586-F710 HydrophobicContact CG-CD1 4.48Å; P586-F710 HydrophobicContact CG-CE1 4.21Å |
| 587 | V | 43.6 | Very low | 36.1 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | | | trans | -91.6 | 150.1 | -172.4 | -169.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 588 | I | 38.7 | Very low | 35.6 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | | 168.3 | 139 | 127 | -84.5 | 162 | 0 | 0 | 0 | 114.7 | | |
| 589 | A | 41.6 | Very low | 36 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | | | trans | -30.2 | 155.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 590 | R | 37.2 | Very low | 36.7 | Very low | 238 Ų | 238 | 137 Ų | 137 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | | | trans | -152.4 | 152.8 | 138.4 | 47.9 | -157.4 | 70.4 | 177.8 | 5.1 | 110.5 | | |
| 591 | M | 27.1 | Very low | 37.4 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | | | trans | -91.9 | 170.6 | -166.3 | -61.7 | 132.1 | 57.6 | 0 | 0 | 113.5 | | |
| 592 | S | 33.1 | Very low | 37.8 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | trans | 75.5 | 156.1 | 156.9 | -57.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 593 | I | 35.2 | Very low | 38 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | | | cis | -164.4 | -178.4 | -36.3 | -143.4 | 163.2 | 0 | 0 | 0 | 107.7 | | |
| 594 | C | 32 | Very low | 38 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | | | trans | 76.4 | 122.4 | -177 | -59.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 595 | S | 39.2 | Very low | 37.8 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | | | cis | 103.2 | 167.1 | 16.1 | -53 | 0 | 0 | 0 | 0 | 115.1 | | |
| 596 | E | 35.1 | Very low | 38.1 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | trans | 77.1 | 88.1 | -169 | -142.3 | 74.8 | 31.3 | 0 | 0 | 112.7 | K598 | E596-K598 WeakPolarHBondContact OE2-CE 3.41Å; E596-K598 IonicContact OE2-NZ 2.71Å; E596-K598 PolarHBondContact OE2-NZ 2.8Å |
| 597 | D | 43.7 | Very low | 37.2 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 55% | 0.551 | 76% | 0.756 | S | S | * | * | | | | 65.3 | 118.4 | 58.5 | -177.6 | 56 | 0 | 0 | 0 | 115.4 | K599 | D597-K599 PolarHBondContact OD1-N 3.49Š|
| 598 | K | 38.3 | Very low | 36.7 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | | | | -146.1 | 99.6 | 116.5 | -76.1 | -51 | 135.6 | -144.2 | 0 | 112.9 | E596 | E596-K598 WeakPolarHBondContact OE2-CE 3.41Å; E596-K598 IonicContact OE2-NZ 2.71Å; E596-K598 PolarHBondContact OE2-NZ 2.8Å |
| 599 | K | 36.9 | Very low | 36.4 | Very low | 182 Ų | 182 | 133.8 Ų | 133.8 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | | 93 | 85.8 | 128.6 | -152.1 | 161.9 | -168.4 | 169 | 0 | 120.5 | D597 | D597-K599 PolarHBondContact OD1-N 3.49Š|
| 600 | S | 43.5 | Very low | 36.1 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -75.7 | -171.5 | 140.4 | -42.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 601 | P | 46.9 | Very low | 36.9 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | | | | -137 | -172.7 | 52 | 43 | -23.6 | 0 | 0 | 0 | 112.8 | | |
| 602 | S | 37.7 | Very low | 37.2 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | | | cis | -145.2 | 143 | 6.4 | -26.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 603 | E | 34.8 | Very low | 37.5 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | | 65.7 | 142.3 | 95.4 | -60.1 | -174.9 | 126.2 | 0 | 0 | 115.8 | | |
| 604 | C | 31 | Very low | 37.1 | Very low | 111 Ų | 111 | 131 Ų | 131 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | | | cis | -170.8 | 168.6 | -7 | -112.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 605 | S | 29.4 | Very low | 37.2 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | cis | -158.4 | -163.2 | -7 | -167.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 606 | L | 42.9 | Very low | 37.2 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | -139 | 151.3 | 177.7 | -68.3 | 170.5 | 0 | 0 | 0 | 112.9 | | |
| 607 | I | 33.3 | Very low | 36.9 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | | | trans | -152.4 | 140.6 | 151.8 | 51.8 | 172.8 | 0 | 0 | 0 | 107.9 | | |
| 608 | A | 33.6 | Very low | 36.2 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | cis | 77.5 | 130.2 | 25.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 609 | S | 32.7 | Very low | 35.8 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | cis | -158 | 171.3 | -9.1 | -80.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 610 | S | 34.3 | Very low | 35.5 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | trans | -90.9 | 150.5 | 168 | -166.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 611 | P | 54.1 | Low | 35 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | | | | -155.7 | -170.9 | 96.4 | 40.4 | -19.8 | 0 | 0 | 0 | 117 | | |
| 612 | E | 33.1 | Very low | 34.3 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | trans | 87.7 | 166.5 | 160.2 | -65.4 | -168.7 | 121.3 | 0 | 0 | 120.8 | | |
| 613 | E | 39.6 | Very low | 34.2 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | | | trans | -133.7 | 164.1 | -144.7 | -162.3 | -165.1 | 108.2 | 0 | 0 | 113.7 | | |
| 614 | S | 28.2 | Very low | 34.3 | Very low | 96 Ų | 96 | 144.7 Ų | 144.7 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | | | trans | 85.3 | 155.9 | 162.1 | -88.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 615 | W | 33.8 | Very low | 34.3 | Very low | 235 Ų | 235 | 146.4 Ų | 146.4 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | | | trans | -98.5 | 157.5 | -155.4 | -62.8 | 79.7 | 0 | 0 | 0 | 115.3 | | |
| 616 | P | 38 | Very low | 34.4 | Very low | 124 Ų | 124 | 152.9 Ų | 152.9 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | | | trans | -107.8 | 101.9 | 145.9 | 33.9 | -24.3 | 0 | 0 | 0 | 111.3 | | |
| 617 | S | 28.8 | Very low | 34.2 | Very low | 113 Ų | 113 | 151.5 Ų | 151.5 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 119.1 | 171.2 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 618 | C | 29.5 | Very low | 34.4 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 117.8 | -174.7 | -155.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 619 | Q | 30.4 | Very low | 34.4 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 158.9 | 163.8 | -70.3 | 179.9 | 19.5 | 0 | 0 | 110.3 | | |
| 620 | K | 30.9 | Very low | 34.4 | Very low | 186 Ų | 186 | 149.8 Ų | 149.8 | 81% | 0.809 | 81% | 0.805 | S | S | * | * | | | cis | -166.7 | 155.9 | -4.5 | 157.2 | 178.3 | -177.8 | 177.9 | 0 | 108.4 | | |
| 621 | A | 31.6 | Very low | 34.6 | Very low | 88 Ų | 88 | 150.1 Ų | 150.1 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -72.7 | 158.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 622 | Y | 33 | Very low | 33.7 | Very low | 228 Ų | 228 | 150.8 Ų | 150.8 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | | | trans | -119.5 | 138.3 | 158.4 | 43 | -99.6 | 0 | 0 | 0 | 110.7 | | |
| 623 | N | 34.4 | Very low | 33.8 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | trans | -99.4 | 140.6 | -175.9 | -87.7 | -91.1 | 0 | 0 | 0 | 111.8 | | |
| 624 | L | 37 | Very low | 33.3 | Very low | 176 Ų | 176 | 146.5 Ų | 146.5 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -139.5 | 122.4 | 158.1 | -96.9 | 170.7 | 0 | 0 | 0 | 109.6 | | |
| 625 | N | 32.3 | Very low | 33.3 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | -84.3 | 136.8 | -174.4 | -69.6 | -81.4 | 0 | 0 | 0 | 112.1 | | |
| 626 | R | 31.6 | Very low | 33.1 | Very low | 246 Ų | 246 | 144.1 Ų | 144.1 | 93% | 0.928 | 79% | 0.79 | S | S | * | * | | | trans | -157.2 | 117.2 | 154.6 | -111.4 | -179.4 | -167.9 | -95.6 | 1.7 | 112.5 | | |
| 627 | T | 39 | Very low | 32.7 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -128.6 | 146.3 | 155.4 | 50.5 | 0 | 0 | 0 | 0 | 106.2 | | |
| 628 | P | 37.6 | Very low | 32.9 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | | | | -125.1 | 156.1 | 77.1 | 4 | 20.8 | 0 | 0 | 0 | 113 | | |
| 629 | S | 32.2 | Very low | 33.5 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | | 64.4 | 134.3 | 78.5 | -135 | 0 | 0 | 0 | 0 | 113.1 | | |
| 630 | T | 32.5 | Very low | 33.6 | Very low | 114 Ų | 114 | 142 Ų | 142 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | cis | 171.9 | 143.8 | -6.1 | 22.9 | 0 | 0 | 0 | 0 | 106.3 | | |
| 631 | V | 38.2 | Very low | 33.5 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | 73.5 | 110.9 | 145.5 | 173.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 632 | T | 36.9 | Very low | 33.6 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | 63.5 | 149.1 | 156.5 | 61.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 633 | L | 33.7 | Very low | 33.4 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | cis | -147.7 | 163 | 38.7 | -87.6 | 169 | 0 | 0 | 0 | 115.2 | | |
| 634 | N | 30.1 | Very low | 33 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | | | trans | -50.1 | 139.3 | 157.1 | 158 | 81.6 | 0 | 0 | 0 | 113.9 | | |
| 635 | N | 27.8 | Very low | 32.7 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | | -163.4 | 160.5 | 116.6 | -129.7 | -22.6 | 0 | 0 | 0 | 116.9 | | |
| 636 | N | 30.2 | Very low | 32.4 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | trans | -86 | 169.5 | 167.7 | -119.8 | -37.5 | 0 | 0 | 0 | 111.8 | | |
| 637 | T | 28.8 | Very low | 32.1 | Very low | 140 Ų | 140 | 134 Ų | 134 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | | | trans | 96.6 | 131.8 | 161.6 | -35.4 | 0 | 0 | 0 | 0 | 117 | | |
| 638 | A | 32.5 | Very low | 31.8 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | trans | -108 | -155.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 639 | P | 43.3 | Very low | 31.3 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | | -91.3 | 165.6 | -114.8 | 38.6 | -34.3 | 0 | 0 | 0 | 115.6 | | |
| 640 | T | 31.6 | Very low | 31.5 | Very low | 143 Ų | 143 | 139 Ų | 139 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | -62.3 | 152.6 | 175.3 | 23 | 0 | 0 | 0 | 0 | 114.3 | | |
| 641 | N | 29.3 | Very low | 31.2 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | trans | -128.7 | 164.2 | 158.9 | -130 | -47.7 | 0 | 0 | 0 | 110.5 | | |
| 642 | R | 32.9 | Very low | 30.7 | Very low | 235 Ų | 235 | 140.2 Ų | 140.2 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | trans | -55 | 155.7 | -173.6 | -80.3 | 175.9 | 170.6 | 170.3 | -4.1 | 114.8 | | |
| 643 | A | 29.2 | Very low | 30.5 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | cis | -172.7 | 178.1 | -3.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 644 | N | 27 | Very low | 30.5 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | 111.1 | 145.3 | 133.9 | -143 | 0.7 | 0 | 0 | 0 | 119.1 | | |
| 645 | Q | 30.3 | Very low | 30.5 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | | | trans | 68.5 | 116.1 | 173.8 | -51.4 | -59.4 | -18.8 | 0 | 0 | 116.4 | | |
| 646 | N | 26.2 | Very low | 30.7 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | | | | 72.2 | 139.9 | 85.8 | -92.5 | -45.4 | 0 | 0 | 0 | 114.1 | | |
| 647 | F | 25.6 | Very low | 30.6 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | | | cis | -153.5 | 176 | 5 | -178.5 | -110 | 0 | 0 | 0 | 109.7 | | |
| 648 | D | 31.6 | Very low | 30.8 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -67.5 | 167.8 | 171.9 | -67.4 | -92.8 | 0 | 0 | 0 | 113.6 | | |
| 649 | E | 26.8 | Very low | 30.6 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | | | | -176.6 | 174.5 | 106 | -161 | 147.8 | 136.9 | 0 | 0 | 111.6 | | |
| 650 | I | 36.7 | Very low | 30 | Very low | 149 Ų | 149 | 143 Ų | 143 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | | | trans | -117.9 | 149.9 | -153.9 | -154.5 | 166.9 | 0 | 0 | 0 | 112.4 | | |
| 651 | E | 25.9 | Very low | 29.9 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | | | trans | 179.6 | 142.6 | 137.3 | -98.6 | -169 | 154.7 | 0 | 0 | 106.3 | | |
| 652 | G | 28.1 | Very low | 30.1 | Very low | 71 Ų | 71 | 147.8 Ų | 147.8 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | | | | 100.4 | 133.8 | 63.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 653 | V | 32.7 | Very low | 30.3 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | | | cis | -167.6 | 160.2 | 1.5 | 80.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 654 | R | 33.2 | Very low | 30.3 | Very low | 202 Ų | 202 | 141.5 Ų | 141.5 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | | | trans | 72.1 | 120 | 163.1 | -73.5 | -172.7 | -73.1 | -156 | -5.6 | 118.7 | | |
| 655 | E | 31.4 | Very low | 30.6 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | | | | 83.3 | 141.1 | 81.4 | -75.2 | 177.5 | 144.2 | 0 | 0 | 113.3 | | |
| 656 | T | 31.2 | Very low | 30.6 | Very low | 118 Ų | 118 | 140 Ų | 140 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | | | cis | -132.7 | 148 | 4.1 | 26.3 | 0 | 0 | 0 | 0 | 110 | | |
| 657 | S | 28.9 | Very low | 31.2 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | | | | 58.2 | 144.7 | 73.2 | -74.5 | 0 | 0 | 0 | 0 | 115 | | |
| 658 | Q | 32 | Very low | 31.5 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | cis | -172.7 | 169.7 | -3.1 | -114.8 | 177.7 | 81.9 | 0 | 0 | 107.9 | | |
| 659 | V | 28.9 | Very low | 32.3 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 59% | 0.588 | 77% | 0.765 | S | S | * | * | | | cis | -157.6 | 130.2 | -8.3 | 91.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 660 | I | 31.3 | Very low | 32.4 | Very low | 144 Ų | 144 | 136 Ų | 136 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | | 46.6 | 131.8 | 106.4 | -58.9 | 170.7 | 0 | 0 | 0 | 117 | | |
| 661 | L | 28.5 | Very low | 31.9 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | | | | -174.1 | 151.2 | 128.2 | -99.5 | 169.8 | 0 | 0 | 0 | 114.5 | | |
| 662 | R | 32.8 | Very low | 32.2 | Very low | 233 Ų | 233 | 131.1 Ų | 131.1 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | | | trans | -116.2 | 177 | 167.3 | -90.9 | -179.5 | 173.3 | 173.1 | -2.3 | 107.1 | | |
| 663 | P | 37.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | cis | -133 | -161.2 | 12.3 | 42 | -22.4 | 0 | 0 | 0 | 113.8 | | |
| 664 | G | 29.7 | Very low | 32.2 | Very low | 65 Ų | 65 | 137.4 Ų | 137.4 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | | | trans | -112.6 | 175.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 665 | P | 32.8 | Very low | 32.3 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | | | trans | -144.6 | 174.9 | 134.8 | 39.1 | -24.4 | 0 | 0 | 0 | 115.6 | | |
| 666 | S | 30.2 | Very low | 32.5 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -70.7 | 166.9 | 166 | -157.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 667 | P | 39.7 | Very low | 32.8 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | | | cis | -143.8 | -163.6 | 19.9 | 42.7 | -20.2 | 0 | 0 | 0 | 117.2 | | |
| 668 | N | 30.9 | Very low | 33.1 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -70.8 | -176.4 | 167.5 | -45.8 | -41.4 | 0 | 0 | 0 | 112.3 | | |
| 669 | P | 48.8 | Very low | 33 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | cis | -131.4 | 177.1 | -18 | 40.7 | -25.7 | 0 | 0 | 0 | 114.5 | | |
| 670 | T | 28.8 | Very low | 33.1 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | trans | 168.2 | 135.9 | 137.7 | 30.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 671 | A | 26.2 | Very low | 32.9 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | | | cis | 86.8 | 101.7 | 46.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 672 | V | 32.5 | Very low | 33 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | -114 | 114.4 | 154.4 | 175.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 673 | Q | 29.5 | Very low | 33.1 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | -78.2 | 148.6 | 171.3 | -67 | 172.5 | -36 | 0 | 0 | 109.8 | | |
| 674 | N | 31.4 | Very low | 32.8 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | | | trans | -138 | 101.5 | 137.7 | -95.2 | -59.2 | 0 | 0 | 0 | 107.5 | | |
| 675 | E | 35.4 | Very low | 32.8 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 55% | 0.547 | 78% | 0.78 | S | S | . | * | | | trans | -71.2 | 143.8 | 164.5 | -68.4 | -123.1 | 144.7 | 0 | 0 | 108.9 | K678 | E675-K678 IonicContact OE1-NZ 2.7Å; E675-K678 PolarHBondContact OE1-NZ 2.94Å; E675-K678 IonicContact OE2-NZ 2.75Å; E675-K678 PolarHBondContact OE2-NZ 2.6Å |
| 676 | N | 34.3 | Very low | 32.7 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | | -158.3 | 133.3 | 125 | -113.7 | -79.9 | 0 | 0 | 0 | 111.9 | | |
| 677 | L | 38.8 | Very low | 32.9 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | 55.8 | 108.3 | 162.5 | -61 | 171.8 | 0 | 0 | 0 | 118.8 | | |
| 678 | K | 35.6 | Very low | 32.4 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 65% | 0.652 | 77% | 0.772 | S | S | * | * | | | trans | -90.4 | 178 | 176.8 | -66.4 | 144.1 | 176.4 | 143.1 | 0 | 111.3 | E675 | E675-K678 IonicContact OE1-NZ 2.7Å; E675-K678 PolarHBondContact OE1-NZ 2.94Å; E675-K678 IonicContact OE2-NZ 2.75Å; E675-K678 PolarHBondContact OE2-NZ 2.6Å |
| 679 | S | 29.9 | Very low | 32.4 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | 82.7 | 146.5 | 162.2 | 88.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 680 | M | 29.4 | Very low | 31.5 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | | | cis | -160.3 | 168.4 | -12.1 | -127 | -165.1 | -63.7 | 0 | 0 | 112.9 | | |
| 681 | A | 27.3 | Very low | 31.6 | Very low | 80 Ų | 80 | 146.9 Ų | 146.9 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | | | trans | 71 | 120.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 682 | H | 30.8 | Very low | 31.9 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | trans | 33.3 | 126.5 | 132.9 | -59.7 | -47.5 | 0 | 0 | 0 | 124.3 | | |
| 683 | K | 35.2 | Very low | 31.9 | Very low | 205 Ų | 205 | 152.5 Ų | 152.5 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | | | trans | 65 | 157.1 | 134.8 | -85.9 | -172.5 | 173.9 | 178.8 | 0 | 120.6 | | |
| 684 | R | 32.5 | Very low | 31.9 | Very low | 230 Ų | 230 | 150.3 Ų | 150.3 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | | | trans | 74.4 | 100.3 | 163.6 | -171.6 | 173.4 | -85.2 | 154.6 | -7.5 | 113.6 | | |
| 685 | S | 28.8 | Very low | 32.2 | Very low | 102 Ų | 102 | 152 Ų | 152 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | | 61.3 | 116.5 | 81.5 | 160.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 686 | Q | 30.6 | Very low | 31.9 | Very low | 188 Ų | 188 | 154.2 Ų | 154.2 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | trans | -67.5 | 132.7 | 159.3 | -80.9 | -82.8 | -19.8 | 0 | 0 | 109.6 | | |
| 687 | R | 33.6 | Very low | 31.8 | Very low | 189 Ų | 189 | 151.1 Ų | 151.1 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | trans | -84.8 | 145.9 | 161.4 | -94.8 | -176.1 | 148.7 | 174.3 | -7.8 | 107.2 | | |
| 688 | S | 30.9 | Very low | 31.5 | Very low | 90 Ų | 90 | 149.6 Ų | 149.6 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | | | | 63.5 | 115.8 | 55.2 | -177.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 689 | S | 29.9 | Very low | 31.4 | Very low | 122 Ų | 122 | 150.8 Ų | 150.8 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -146.3 | 159.9 | 152.3 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 690 | Y | 29.3 | Very low | 31.5 | Very low | 157 Ų | 157 | 152 Ų | 152 | 62% | 0.616 | 78% | 0.784 | S | S | * | * | | | | -171.8 | 119 | -66.8 | -145.6 | -96.7 | 0 | 0 | 0 | 107.7 | | |
| 691 | T | 31.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 151.9 Ų | 151.9 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | | | trans | -153.4 | 97.4 | 158.1 | 22.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 692 | R | 32.2 | Very low | 31.7 | Very low | 203 Ų | 203 | 152.6 Ų | 152.6 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | | 59.8 | 110.9 | 104.5 | -67.9 | -166.2 | -177.1 | -124 | 4 | 113.1 | | |
| 693 | L | 33.5 | Very low | 31.5 | Very low | 148 Ų | 148 | 148.8 Ų | 148.8 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | | | | 68.5 | 138 | 73.7 | -70.7 | 173.2 | 0 | 0 | 0 | 112.3 | | |
| 694 | S | 28.4 | Very low | 31.2 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | cis | -152.9 | 176.1 | -2.3 | -165 | 0 | 0 | 0 | 0 | 109.8 | | |
| 695 | K | 38.5 | Very low | 31.3 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | | | trans | -98.2 | 135.7 | 170.9 | -176.8 | 175.3 | -178.1 | 177.2 | 0 | 110.8 | | |
| 696 | D | 29.9 | Very low | 31.5 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | | | trans | -153.7 | 173.4 | 158.5 | -144.3 | -27.8 | 0 | 0 | 0 | 110.1 | | |
| 697 | A | 32.4 | Very low | 31.5 | Very low | 82 Ų | 82 | 136.1 Ų | 136.1 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | | | trans | -114.1 | 165.7 | -159.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 698 | S | 31.8 | Very low | 31.8 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | | | trans | -160.7 | 170.9 | 161.4 | -77.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 699 | E | 32.5 | Very low | 32.1 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -86.2 | 155.2 | -156.2 | -68.4 | 170.8 | 101.6 | 0 | 0 | 117.7 | | |
| 700 | L | 33.2 | Very low | 32.3 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | | | trans | 38.2 | 122 | 141 | -58.1 | 171.4 | 0 | 0 | 0 | 118.6 | | |
| 701 | H | 32.6 | Very low | 32.5 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | | | cis | -165.1 | 170.6 | 44.6 | -99.9 | -68.1 | 0 | 0 | 0 | 112.9 | | |
| 702 | A | 27.9 | Very low | 32.8 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | 94.3 | 117.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 703 | A | 27.4 | Very low | 33.1 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 68.3 | 110.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 704 | S | 27.2 | Very low | 33.6 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | 5.2 | 149.5 | 132.5 | -78.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 705 | S | 35.8 | Very low | 34.2 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | | | cis | -175.5 | 166.4 | 3.1 | -92.5 | 0 | 0 | 0 | 0 | 108 | | |
| 706 | D | 32.6 | Very low | 34.2 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | cis | -163.8 | -178.7 | -20.8 | -90.6 | -28 | 0 | 0 | 0 | 107.7 | | |
| 707 | S | 30.9 | Very low | 34.9 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | -140.3 | 136.6 | -172.4 | 64.7 | 0 | 0 | 0 | 0 | 117 | | |
| 708 | T | 39.4 | Very low | 35.5 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | | | trans | 15.1 | 130.3 | 145.9 | 57.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 709 | G | 38.1 | Very low | 35.7 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | | 126.2 | 125.2 | 127.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 710 | F | 32.8 | Very low | 35.9 | Very low | 185 Ų | 185 | 132.8 Ų | 132.8 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | 38.2 | 130.2 | 154.5 | -79.9 | -92.9 | 0 | 0 | 0 | 121.3 | P586 | P586-F710 HydrophobicContact CB-CE1 4.35Å; P586-F710 HydrophobicContact CG-CD1 4.48Å; P586-F710 HydrophobicContact CG-CE1 4.21Å |
| 711 | G | 34.7 | Very low | 36 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | | 127.9 | 129.6 | 126.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 712 | E | 37.3 | Very low | 36.2 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | trans | 71.6 | 108.2 | 140.6 | -116.2 | 174 | 170.9 | 0 | 0 | 122.1 | | |
| 713 | E | 39.4 | Very low | 36.8 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 56% | 0.556 | 77% | 0.767 | S | S | * | * | | | trans | 69.1 | 162.2 | 132.8 | 71.2 | 171.6 | 162.4 | 0 | 0 | 123.5 | | |
| 714 | R | 42.8 | Very low | 37.4 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | | | trans | 71.5 | 138.8 | 175.4 | -39.4 | -162.8 | -152.1 | -55.8 | -17.6 | 116.5 | | |
| 715 | E | 41.8 | Very low | 38.1 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | cis | -168.6 | 158 | -21.9 | -125 | 163.3 | -149.4 | 0 | 0 | 109.7 | | |
| 716 | S | 38 | Very low | 38.3 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | | | trans | 64.2 | 134.6 | 146.3 | -61.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 717 | I | 44.8 | Very low | 38.8 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | | | trans | 70.8 | 112.2 | 155.7 | -55.1 | 150.3 | 0 | 0 | 0 | 113.8 | | |
| 718 | L | 45.2 | Very low | 39.5 | Very low | 233 Ų | 233 | 142.5 Ų | 142.5 | 100% | 1.22 | 77% | 0.773 | S | S | * | * | | | cis | -153 | 0 | 36.8 | -139.7 | 160.8 | 0 | 0 | 0 | 111.6 | | |