| 1 | M | 35.5 | Very low | 37.4 | Very low | 241 Ų | 241 | 156.1 Ų | 156.1 | 100% | 1.187 | 83% | 0.83 | S | S | * | * | | | | 0 | 123.6 | 0 | -65.6 | 173 | 176.5 | 0 | 0 | 106.6 | | |
| 2 | D | 41.6 | Very low | 36.9 | Very low | 144 Ų | 144 | 154.7 Ų | 154.7 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | | | cis | -121.9 | 121.1 | -3.2 | -168.2 | 12.9 | 0 | 0 | 0 | 110.8 | | |
| 3 | P | 37.9 | Very low | 36.6 | Very low | 113 Ų | 113 | 152.8 Ų | 152.8 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | trans | -107.2 | 92.8 | -172.3 | 37.3 | -27.9 | 0 | 0 | 0 | 113.1 | | |
| 4 | Q | 42.4 | Very low | 36.5 | Very low | 160 Ų | 160 | 150 Ų | 150 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | -130.8 | -11 | 173.6 | -75.3 | -148.2 | -7.5 | 0 | 0 | 117.7 | | |
| 5 | L | 42.4 | Very low | 36.6 | Very low | 179 Ų | 179 | 150.7 Ų | 150.7 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -114.1 | 40.4 | 178.3 | -69 | 176.5 | 0 | 0 | 0 | 113.8 | | |
| 6 | L | 37.2 | Very low | 36.5 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -121.4 | 52.4 | 158.9 | -159.5 | 74.9 | 0 | 0 | 0 | 110.3 | | |
| 7 | A | 37.4 | Very low | 36.4 | Very low | 77 Ų | 77 | 144.3 Ų | 144.3 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | trans | -127.3 | 162.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 8 | Q | 37.7 | Very low | 36.2 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | | | trans | 70 | 55.1 | -169.2 | -54.9 | -174 | 0.6 | 0 | 0 | 114.6 | | |
| 9 | S | 33.5 | Very low | 36.1 | Very low | 91 Ų | 91 | 145.7 Ų | 145.7 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | | -64.9 | 166.1 | 129.4 | 46.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 10 | F | 31.7 | Very low | 36.1 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 82% | 0.82 | 77% | 0.774 | S | S | * | * | | | trans | 84.1 | 152.3 | 179.7 | -53.7 | -76 | 0 | 0 | 0 | 117.3 | | |
| 11 | N | 34.1 | Very low | 36.1 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | 62.1 | 114.1 | -168.5 | -64.8 | -3.9 | 0 | 0 | 0 | 113.9 | | |
| 12 | I | 31.6 | Very low | 36 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | cis | 63 | 120.5 | 19.1 | -55.4 | 177.5 | 0 | 0 | 0 | 112.9 | | |
| 13 | N | 32.3 | Very low | 35.8 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | | | trans | 67.8 | 146.2 | -177.5 | -56 | -10.5 | 0 | 0 | 0 | 113.4 | | |
| 14 | D | 35.9 | Very low | 35.6 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 61% | 0.61 | 76% | 0.761 | S | S | * | * | | | cis | -139.1 | 134.8 | 16.9 | -80.7 | -63.3 | 0 | 0 | 0 | 113.7 | T16 | D14-T16 WeakPolarHBondContact OD1-CG2 3.16Å; D14-T16 PolarHBondContact OD1-OG1 3Å |
| 15 | V | 37.3 | Very low | 35.3 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 97% | 0.97 | 76% | 0.763 | S | S | * | * | S | Bend | | -132.5 | 68 | 128.5 | -175.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 16 | T | 36.1 | Very low | 34.8 | Very low | 72 Ų | 72 | 139.8 Ų | 139.8 | 44% | 0.442 | 75% | 0.752 | S | S | . | * | | | trans | -85.2 | 152.2 | 172.4 | 53.7 | 0 | 0 | 0 | 0 | 110.5 | D14 | D14-T16 WeakPolarHBondContact OD1-CG2 3.16Å; D14-T16 PolarHBondContact OD1-OG1 3Å |
| 17 | N | 34.4 | Very low | 34.9 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 65% | 0.647 | 74% | 0.741 | S | S | * | * | | | | 170.9 | 120.7 | 109.5 | -91.8 | -64.5 | 0 | 0 | 0 | 111 | | |
| 18 | N | 32.4 | Very low | 34.8 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | 63.4 | 146.1 | 136 | -50.7 | -25.1 | 0 | 0 | 0 | 118.8 | | |
| 19 | Q | 35.5 | Very low | 34.8 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | | | cis | -124.3 | 150.5 | 23 | -66.7 | 165.7 | -25.4 | 0 | 0 | 113.9 | | |
| 20 | T | 34.2 | Very low | 35.2 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | | | trans | -101.1 | 161.5 | 160.3 | 47.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 21 | N | 37.8 | Very low | 35.4 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | | | trans | 132.2 | 115.7 | 159.5 | -67.9 | -34 | 0 | 0 | 0 | 110.7 | | |
| 22 | N | 33.5 | Very low | 35.5 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | | 68.3 | 102.4 | 64.3 | -75.1 | -44 | 0 | 0 | 0 | 114.1 | | |
| 23 | L | 36.7 | Very low | 35.9 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | | | trans | 171.5 | 114.3 | 148.4 | -91.8 | 164.8 | 0 | 0 | 0 | 104.9 | | |
| 24 | K | 33.2 | Very low | 36 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | cis | 93.4 | 137.6 | 37.4 | -171 | 172.4 | 173.9 | 173.2 | 0 | 112.6 | | |
| 25 | L | 35.6 | Very low | 36.4 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | trans | 83.7 | 146.7 | -176.8 | -50.3 | 167 | 0 | 0 | 0 | 114 | | |
| 26 | S | 33.8 | Very low | 36.5 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | cis | -169 | 173.6 | -17.5 | -101.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 27 | A | 38.5 | Very low | 36.6 | Very low | 87 Ų | 87 | 141.3 Ų | 141.3 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | | | trans | 71.5 | 128.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 28 | E | 34.2 | Very low | 36.8 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | cis | 68.6 | 98.4 | 21.1 | -50.7 | -174 | 124.5 | 0 | 0 | 116.4 | | |
| 29 | H | 39.5 | Very low | 36.9 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | | | | -156.5 | 159.3 | 129.5 | -135 | -113.3 | 0 | 0 | 0 | 114.2 | | |
| 30 | L | 40.8 | Very low | 37.6 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | | | trans | -51.3 | 171 | -177.3 | -49.5 | 175.2 | 0 | 0 | 0 | 115.6 | | |
| 31 | N | 36.9 | Very low | 37.9 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | | | cis | -155.9 | 167.8 | 16.8 | -149.4 | 13.8 | 0 | 0 | 0 | 114.6 | | |
| 32 | E | 34.5 | Very low | 37.8 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | trans | -67.6 | 159.7 | 166.3 | -55.4 | 168.3 | 107.7 | 0 | 0 | 112.7 | | |
| 33 | H | 41.5 | Very low | 37.9 | Very low | 167 Ų | 167 | 134 Ų | 134 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | | -178 | 121.7 | 117.3 | -98.6 | 47.2 | 0 | 0 | 0 | 112 | | |
| 34 | S | 34.1 | Very low | 37.7 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | -104.5 | 159.6 | 153.1 | -72.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 35 | P | 44 | Very low | 37.8 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | | -153.3 | 156.4 | 106.3 | 41.1 | -24.7 | 0 | 0 | 0 | 116.2 | | |
| 36 | Q | 39.5 | Very low | 37.8 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | | 45.7 | 149.2 | 125.5 | -58.7 | -171.4 | -14.6 | 0 | 0 | 121.4 | | |
| 37 | T | 37.9 | Very low | 37.7 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | | | cis | -172.8 | 178.3 | 2.8 | 21.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 38 | N | 38.7 | Very low | 37.4 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | trans | 99.8 | 74.6 | 150.9 | -55.1 | -41.6 | 0 | 0 | 0 | 119.6 | | |
| 39 | D | 34.9 | Very low | 37.4 | Very low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | | -44.1 | 162 | 123.1 | -107.1 | -44.1 | 0 | 0 | 0 | 112.6 | | |
| 40 | P | 48.9 | Very low | 36.9 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | | -160.1 | -177.2 | 70.2 | 42.9 | -20.9 | 0 | 0 | 0 | 119.5 | | |
| 41 | T | 40.6 | Very low | 36.5 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | | | trans | 72.2 | 135.3 | 168.8 | 67.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 42 | G | 37.3 | Very low | 36.3 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | | | cis | 108 | 129.3 | 5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 43 | G | 34.7 | Very low | 36.3 | Very low | 66 Ų | 66 | 131 Ų | 131 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | | | cis | 178.2 | -168.4 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 44 | F | 32.8 | Very low | 36 | Very low | 207 Ų | 207 | 129.4 Ų | 129.4 | 91% | 0.908 | 76% | 0.758 | S | S | * | * | | | trans | 73.4 | 140.8 | 169.6 | -77.7 | -84.9 | 0 | 0 | 0 | 121.3 | | |
| 45 | L | 35.6 | Very low | 36.1 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | 76.2 | 105.9 | 153.4 | -66.5 | 163.5 | 0 | 0 | 0 | 122.1 | | |
| 46 | S | 34.8 | Very low | 35.6 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | | | | 83.3 | 121.4 | 123.1 | -58.8 | 0 | 0 | 0 | 0 | 123 | | |
| 47 | N | 32.4 | Very low | 35.2 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | | | trans | 70.1 | 117.5 | 139.9 | -70.5 | -4.2 | 0 | 0 | 0 | 122.7 | | |
| 48 | H | 32.3 | Very low | 34.8 | Very low | 175 Ų | 175 | 139 Ų | 139 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | trans | 77.3 | 157.8 | 138.7 | -85.8 | -101.7 | 0 | 0 | 0 | 121.3 | | |
| 49 | S | 32.8 | Very low | 34.6 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | trans | 74.5 | 82.4 | 161.7 | -57.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 50 | S | 30 | Very low | 34.4 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | | 27 | 121.1 | 124.8 | 59.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 51 | M | 33.2 | Very low | 33.7 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 94% | 0.941 | 78% | 0.782 | S | S | * | * | | | trans | -153.4 | 145.7 | 136.1 | -110.7 | 173.7 | 83.1 | 0 | 0 | 111.2 | | |
| 52 | S | 31.8 | Very low | 33.2 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | | | trans | -109.9 | 151.5 | 179.8 | 52.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 53 | N | 33.8 | Very low | 33.1 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | | | trans | -170.2 | 155 | 135.7 | -109.4 | -31.9 | 0 | 0 | 0 | 117.8 | | |
| 54 | H | 36 | Very low | 33.4 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 61% | 0.611 | 77% | 0.768 | S | S | * | * | | | trans | 49.1 | 108.3 | 151 | -54 | -32.7 | 0 | 0 | 0 | 121.5 | | |
| 55 | N | 36 | Very low | 33.4 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | | 173.9 | 115 | 91.3 | -88.4 | -56.2 | 0 | 0 | 0 | 110.5 | | |
| 56 | N | 33 | Very low | 33.4 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | | 79.3 | 85.5 | 73.7 | -76.1 | -36.7 | 0 | 0 | 0 | 115.9 | | |
| 57 | R | 31.9 | Very low | 33.4 | Very low | 242 Ų | 242 | 147.4 Ų | 147.4 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | | | | -167.2 | 98.6 | 121.8 | -112.7 | 177.8 | 173 | 178.2 | -1.9 | 112.9 | | |
| 58 | M | 29.8 | Very low | 33.3 | Very low | 186 Ų | 186 | 149.7 Ų | 149.7 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | | | trans | -83.9 | 140.8 | 154.9 | -66 | 174 | 81.2 | 0 | 0 | 108.5 | | |
| 59 | S | 33.4 | Very low | 33.3 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | -119.6 | 86.7 | 168.3 | -68.6 | 0 | 0 | 0 | 0 | 109.7 | L61 | S59-L61 PolarHBondContact O-N 3.27Š|
| 60 | S | 30.7 | Very low | 33.2 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | -72.7 | 114.1 | 172.7 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | F62 | S60-F62 VanDerWaalsContact C-N 3.33Å; S60-F62 PolarHBondContact O-N 3.33Å |
| 61 | L | 34.2 | Very low | 33.2 | Very low | 179 Ų | 179 | 151 Ų | 151 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | | | trans | -80.3 | 86.2 | 168.1 | -80.2 | 172.9 | 0 | 0 | 0 | 110.1 | S59 | S59-L61 PolarHBondContact O-N 3.27Š|
| 62 | F | 31.5 | Very low | 33.1 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | -67.1 | 132.2 | -179.7 | -151.6 | -98.2 | 0 | 0 | 0 | 111.2 | S60 P64 | S60-F62 VanDerWaalsContact C-N 3.33Å; S60-F62 PolarHBondContact O-N 3.33Å; F62-P64 HydrophobicContact CD1-CB 4.43Å; F62-P64 WeakPolarHBondContact O-CD 3.24Å |
| 63 | W | 35.2 | Very low | 33 | Very low | 238 Ų | 238 | 151.2 Ų | 151.2 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -90.3 | 109.1 | 165.5 | -105.5 | 91.9 | 0 | 0 | 0 | 108.9 | G65 | W63-G65 PolarHBondContact O-N 3.25Š|
| 64 | P | 39.3 | Very low | 32.9 | Very low | 67 Ų | 67 | 151.8 Ų | 151.8 | 44% | 0.435 | 78% | 0.776 | S | S | . | * | | | trans | -82.8 | 110.4 | -166.3 | -11.8 | 28.3 | 0 | 0 | 0 | 113.4 | F62 R247 | F62-P64 HydrophobicContact CD1-CB 4.43Å; F62-P64 WeakPolarHBondContact O-CD 3.24Å; P64-R247 PolarHBondContact O-NH1 3.3Å; P64-R247 PolarHBondContact O-NH2 3.06Å |
| 65 | G | 34.5 | Very low | 32.7 | Very low | 58 Ų | 58 | 153.2 Ų | 153.2 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | | | trans | 64.2 | 113 | 133.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | W63 | W63-G65 PolarHBondContact O-N 3.25Š|
| 66 | Q | 33.9 | Very low | 32.6 | Very low | 200 Ų | 200 | 153.8 Ų | 153.8 | 94% | 0.935 | 79% | 0.786 | S | S | * | * | | | trans | -94 | 123 | 149.9 | -169.1 | 177.1 | 22.9 | 0 | 0 | 106.7 | | |
| 67 | Q | 35.5 | Very low | 32.6 | Very low | 191 Ų | 191 | 152.2 Ų | 152.2 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | -117 | 143.8 | 178.1 | -86.1 | -177.1 | -40.6 | 0 | 0 | 110.9 | | |
| 68 | Q | 29.6 | Very low | 32.8 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | | | trans | -106.3 | 134.3 | 176.7 | -69 | 175.4 | -39.3 | 0 | 0 | 110.6 | | |
| 69 | S | 33.1 | Very low | 33.1 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -160.8 | 93.8 | 158.8 | 53.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 70 | N | 30.1 | Very low | 33.2 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | | 71.9 | 110.8 | 81.3 | -87.9 | -8.5 | 0 | 0 | 0 | 115.8 | | |
| 71 | Q | 30.5 | Very low | 33.4 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | 84.5 | 156.3 | 140.1 | -62 | -178.4 | 26.3 | 0 | 0 | 121.2 | | |
| 72 | L | 30.4 | Very low | 33.6 | Very low | 153 Ų | 153 | 143 Ų | 143 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | | | trans | 71.2 | 107.6 | 177.8 | -57.3 | 168.9 | 0 | 0 | 0 | 114.8 | | |
| 73 | I | 30.9 | Very low | 33.8 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | | | cis | 104.7 | 152.6 | 29.7 | -64.1 | 172.8 | 0 | 0 | 0 | 111.9 | | |
| 74 | D | 32.3 | Very low | 33.7 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | | | trans | 71.9 | 106.4 | -174.2 | -54.1 | -34.5 | 0 | 0 | 0 | 114.9 | | |
| 75 | E | 31.3 | Very low | 33.5 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | | | | 88.4 | 108.7 | 51.8 | -75.3 | -146.2 | 156.2 | 0 | 0 | 114.3 | | |
| 76 | N | 32.6 | Very low | 33.2 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | | 176.1 | 155.7 | 107.5 | -98 | -79.2 | 0 | 0 | 0 | 113.2 | | |
| 77 | S | 33.4 | Very low | 33.3 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | trans | -147 | 166.7 | 174.1 | -168.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 78 | P | 37.1 | Very low | 33.3 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | | -157.5 | -167.9 | 99.7 | 40.8 | -20 | 0 | 0 | 0 | 116.5 | | |
| 79 | T | 36 | Very low | 33.5 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | | | trans | -116.4 | 165.4 | -167.3 | 53.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 80 | N | 35.9 | Very low | 34.1 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | trans | -177.4 | 155.7 | 152.6 | -102.6 | -10 | 0 | 0 | 0 | 111.6 | | |
| 81 | N | 35.3 | Very low | 34.2 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | | | cis | -170.8 | 158 | -28.7 | -133.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 82 | N | 38.1 | Very low | 34.4 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | | | trans | 65.4 | 158.1 | 152.4 | -59.6 | -16.7 | 0 | 0 | 0 | 119 | | |
| 83 | N | 36 | Very low | 34.5 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | | | cis | -169.3 | 176.1 | -7.1 | -105.4 | -4.3 | 0 | 0 | 0 | 108.2 | | |
| 84 | L | 32.9 | Very low | 34.5 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | | | cis | -178.6 | 173.6 | -28 | -170.3 | 64.2 | 0 | 0 | 0 | 108.6 | | |
| 85 | I | 33.5 | Very low | 34.6 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | | | trans | 79.3 | 151.2 | 163.6 | -51.4 | -177.8 | 0 | 0 | 0 | 117.1 | | |
| 86 | I | 30 | Very low | 34.5 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 80% | 0.795 | 74% | 0.743 | S | S | * | * | | | | 176.1 | 145.9 | -53.7 | -91.2 | 160.5 | 0 | 0 | 0 | 110.3 | | |
| 87 | G | 34.1 | Very low | 34.7 | Very low | 64 Ų | 64 | 126.6 Ų | 126.6 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | | | trans | 125.5 | 128.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 88 | S | 36.9 | Very low | 34.4 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | cis | 93.2 | 133.3 | 43.1 | -70.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 89 | N | 32.8 | Very low | 34.4 | Very low | 151 Ų | 151 | 128 Ų | 128 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | | | cis | -154.8 | -147.3 | -14.6 | -154.9 | 3.9 | 0 | 0 | 0 | 110.2 | | |
| 90 | P | 45.4 | Very low | 34.4 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | | | trans | -124.6 | -174.8 | -139 | 41.9 | -21.3 | 0 | 0 | 0 | 117 | | |
| 91 | G | 32.3 | Very low | 34.5 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | | | trans | -174.9 | 131.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 92 | Y | 35.2 | Very low | 34.8 | Very low | 236 Ų | 236 | 131.6 Ų | 131.6 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | | | trans | 69.7 | 166 | 159.5 | -75.1 | -82.8 | 0 | 0 | 0 | 121.6 | | |
| 93 | S | 32.2 | Very low | 34.9 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -157.1 | 150.8 | -139.1 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 94 | G | 31.3 | Very low | 35.2 | Very low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | | | trans | -177.2 | 122.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 95 | H | 34.3 | Very low | 35.7 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | | | trans | 61.1 | 92.5 | 144.2 | -58.6 | 96.7 | 0 | 0 | 0 | 122 | | |
| 96 | S | 30 | Very low | 36.1 | Very low | 89 Ų | 89 | 129 Ų | 129 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | | | | 43 | 119.1 | 120.8 | 60.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 97 | N | 35.8 | Very low | 36.8 | Very low | 171 Ų | 171 | 125.6 Ų | 125.6 | 91% | 0.914 | 75% | 0.748 | S | S | * | * | | | | -174 | 165.8 | 105.3 | -90.7 | -30.4 | 0 | 0 | 0 | 112.7 | | |
| 98 | S | 27 | Very low | 37.4 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | | | trans | -118 | 136.7 | -163.8 | -177.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 99 | V | 37.9 | Very low | 37.9 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | | | trans | -149.7 | 149.6 | 160.6 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 100 | D | 35.3 | Very low | 38.4 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | | | trans | -81.3 | 173.3 | -160 | -50.3 | -92.6 | 0 | 0 | 0 | 118.5 | | |
| 101 | M | 39 | Very low | 38.5 | Very low | 186 Ų | 186 | 122.9 Ų | 122.9 | 92% | 0.916 | 71% | 0.705 | S | S | * | * | | | trans | -110.1 | 162.3 | -179.6 | -84.6 | -73.8 | -177.3 | 0 | 0 | 113.9 | | |
| 102 | N | 41 | Very low | 39.4 | Very low | 128 Ų | 128 | 124 Ų | 124 | 68% | 0.684 | 70% | 0.699 | S | S | * | * | | | trans | -101.6 | 141.8 | -161.1 | -81.7 | -98 | 0 | 0 | 0 | 115.8 | I104 | N102-I104 HydrophobicContact CB-CD1 4.42Å; N102-I104 HydrophobicContact CB-CG1 4.45Å; N102-I104 PolarHBondContact O-N 3.47Å |
| 103 | P | 39.6 | Very low | 40.2 | Very low | 116 Ų | 116 | 117.9 Ų | 117.9 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | | | trans | -91.7 | 52.3 | -172.1 | 38.7 | -39 | 0 | 0 | 0 | 114.4 | | |
| 104 | I | 43 | Very low | 41.2 | Very low | 118 Ų | 118 | 115.2 Ų | 115.2 | 61% | 0.605 | 67% | 0.667 | S | S | * | * | | | trans | -96.9 | -39.3 | -169.2 | -63.8 | 178.4 | 0 | 0 | 0 | 114 | N102 S107 | N102-I104 HydrophobicContact CB-CD1 4.42Å; N102-I104 HydrophobicContact CB-CG1 4.45Å; N102-I104 PolarHBondContact O-N 3.47Å; I104-S107 PolarHBondContact O-N 3.42Å |
| 105 | E | 42.6 | Very low | 42.3 | Very low | 168 Ų | 168 | 117.2 Ų | 117.2 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -73.7 | -33.8 | -170.3 | -61.5 | -170.8 | 140.3 | 0 | 0 | 113.5 | S107 V108 | E105-S107 PolarHBondContact O-N 3.48Å; E105-V108 PolarHBondContact O-N 3.32Å; E105-V108 VanDerWaalsContact O-N 3.15Å |
| 106 | S | 43.2 | Very low | 43.2 | Very low | 68 Ų | 68 | 112.3 Ų | 112.3 | 48% | 0.476 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -55.9 | -37 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 112.8 | V108 L109 H110 | S106-V108 VanDerWaalsContact C-N 3.27Å; S106-V108 PolarHBondContact O-N 3.4Å; S106-L109 PolarHBondContact O-N 2.95Å; S106-H110 PolarHBondContact O-N 3.03Å; S106-H110 VanDerWaalsContact O-N 3.13Å; S106-H110 PolarHBondContact O-ND1 2.89Å; S106-H110 PolarHBondContact OG-CE1 2.65Å; S106-H110 VanDerWaalsContact OG-CE1 3.26Å; S106-H110 PolarHBondContact OG-ND1 3.2Å |
| 107 | S | 44.7 | Very low | 44.4 | Very low | 82 Ų | 82 | 110.9 Ų | 110.9 | 57% | 0.573 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.6 | -32.4 | -178.6 | -175.1 | 0 | 0 | 0 | 0 | 112.8 | I104 E105 S111 | I104-S107 PolarHBondContact O-N 3.42Å; E105-S107 PolarHBondContact O-N 3.48Å; S107-S111 WeakPolarHBondContact O-CB 3.39Å; S107-S111 PolarHBondContact O-N 3.03Å |
| 108 | V | 46.7 | Very low | 45.2 | Very low | 91 Ų | 91 | 105.6 Ų | 105.6 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.6 | -48.3 | -179.3 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | E105 S106 H110 S111 V112 | E105-V108 PolarHBondContact O-N 3.32Å; E105-V108 VanDerWaalsContact O-N 3.15Å; S106-V108 VanDerWaalsContact C-N 3.27Å; S106-V108 PolarHBondContact O-N 3.4Å; V108-H110 PolarHBondContact O-N 3.21Å; V108-S111 PolarHBondContact O-N 3.19Å; V108-S111 VanDerWaalsContact O-N 3.11Å; V108-S111 PolarHBondContact O-OG 3.12Å; V108-V112 PolarHBondContact O-N 3.4Å; V108-V112 VanDerWaalsContact O-N 3.12Å |
| 109 | L | 45.6 | Very low | 46.5 | Very low | 121 Ų | 121 | 102.6 Ų | 102.6 | 63% | 0.634 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.3 | -43.7 | 177.7 | -73 | 167.6 | 0 | 0 | 0 | 111.9 | S106 S111 V112 N113 | S106-L109 PolarHBondContact O-N 2.95Å; L109-S111 VanDerWaalsContact C-N 3.28Å; L109-S111 PolarHBondContact O-N 3.37Å; L109-V112 PolarHBondContact O-N 2.87Å; L109-N113 PolarHBondContact O-N 3.45Å |
| 110 | H | 45 | Very low | 47.3 | Very low | 124 Ų | 124 | 97.9 Ų | 97.9 | 57% | 0.574 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.4 | -38.4 | 173.7 | -75.9 | 85.7 | 0 | 0 | 0 | 112.3 | S106 V108 N113 A114 | S106-H110 PolarHBondContact O-N 3.03Å; S106-H110 VanDerWaalsContact O-N 3.13Å; S106-H110 PolarHBondContact O-ND1 2.89Å; S106-H110 PolarHBondContact OG-CE1 2.65Å; S106-H110 VanDerWaalsContact OG-CE1 3.26Å; S106-H110 PolarHBondContact OG-ND1 3.2Å; V108-H110 PolarHBondContact O-N 3.21Å; H110-N113 PolarHBondContact O-N 3.31Å; H110-A114 VanDerWaalsContact O-CB 3.29Å; H110-A114 WeakPolarHBondContact O-CB 3.31Å; H110-A114 PolarHBondContact O-N 3.4Å |
| 111 | S | 46.1 | Very low | 47.9 | Very low | 62 Ų | 62 | 94.6 Ų | 94.6 | 43% | 0.434 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.3 | -35.6 | 177.7 | 78.2 | 0 | 0 | 0 | 0 | 113.5 | S107 V108 L109 V115 | S107-S111 WeakPolarHBondContact O-CB 3.39Å; S107-S111 PolarHBondContact O-N 3.03Å; V108-S111 PolarHBondContact O-N 3.19Å; V108-S111 VanDerWaalsContact O-N 3.11Å; V108-S111 PolarHBondContact O-OG 3.12Å; L109-S111 VanDerWaalsContact C-N 3.28Å; L109-S111 PolarHBondContact O-N 3.37Å; S111-V115 WeakPolarHBondContact O-CG2 3.47Å; S111-V115 PolarHBondContact O-N 2.87Å; S111-V115 VanDerWaalsContact O-N 3.12Å |
| 112 | V | 52.1 | Low | 48.6 | Very low | 88 Ų | 88 | 88.8 Ų | 88.8 | 53% | 0.533 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.6 | -45.5 | 175.8 | 176 | 0 | 0 | 0 | 0 | 110.5 | V108 L109 A114 V115 S116 | V108-V112 PolarHBondContact O-N 3.4Å; V108-V112 VanDerWaalsContact O-N 3.12Å; L109-V112 PolarHBondContact O-N 2.87Å; V112-A114 PolarHBondContact O-N 2.84Å; V112-V115 PolarHBondContact O-N 3.47Å; V112-S116 WeakPolarHBondContact O-CB 3.32Å; V112-S116 PolarHBondContact O-N 3Å |
| 113 | N | 51.7 | Low | 49.1 | Very low | 108 Ų | 108 | 86.9 Ų | 86.9 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.6 | -41.1 | 177.5 | -71.2 | -6.2 | 0 | 0 | 0 | 111.9 | L109 H110 S116 A117 | L109-N113 PolarHBondContact O-N 3.45Å; H110-N113 PolarHBondContact O-N 3.31Å; N113-S116 PolarHBondContact O-N 3.41Å; N113-A117 WeakPolarHBondContact O-CB 3.48Å; N113-A117 PolarHBondContact O-N 3.45Å |
| 114 | A | 52.2 | Low | 49.7 | Very low | 59 Ų | 59 | 89.7 Ų | 89.7 | 49% | 0.488 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H110 V112 A118 | H110-A114 VanDerWaalsContact O-CB 3.29Å; H110-A114 WeakPolarHBondContact O-CB 3.31Å; H110-A114 PolarHBondContact O-N 3.4Å; V112-A114 PolarHBondContact O-N 2.84Å; A114-A118 VanDerWaalsContact O-CB 3.28Å; A114-A118 WeakPolarHBondContact O-CB 3.35Å; A114-A118 PolarHBondContact O-N 2.97Å |
| 115 | V | 55.5 | Low | 50.3 | Low | 106 Ų | 106 | 86.3 Ų | 86.3 | 64% | 0.642 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68 | -39.2 | 174.7 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | S111 V112 A118 A119 | S111-V115 WeakPolarHBondContact O-CG2 3.47Å; S111-V115 PolarHBondContact O-N 2.87Å; S111-V115 VanDerWaalsContact O-N 3.12Å; V112-V115 PolarHBondContact O-N 3.47Å; V115-A118 PolarHBondContact O-N 3.14Å; V115-A119 PolarHBondContact O-N 3.4Å |
| 116 | S | 53.9 | Low | 51 | Low | 80 Ų | 80 | 80.7 Ų | 80.7 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 175.5 | -166 | 0 | 0 | 0 | 0 | 111.8 | V112 N113 A118 A119 A120 | V112-S116 WeakPolarHBondContact O-CB 3.32Å; V112-S116 PolarHBondContact O-N 3Å; N113-S116 PolarHBondContact O-N 3.41Å; S116-A118 PolarHBondContact O-N 3.48Å; S116-A119 WeakPolarHBondContact O-CB 3.48Å; S116-A119 PolarHBondContact O-N 3.13Å; S116-A120 PolarHBondContact O-N 3.26Å |
| 117 | A | 53.5 | Low | 51.3 | Low | 59 Ų | 59 | 78.9 Ų | 78.9 | 49% | 0.488 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N113 A119 A120 S121 | N113-A117 WeakPolarHBondContact O-CB 3.48Å; N113-A117 PolarHBondContact O-N 3.45Å; A117-A119 VanDerWaalsContact C-N 3.34Å; A117-A120 PolarHBondContact O-N 3.15Å; A117-S121 PolarHBondContact O-N 3.34Å; A117-S121 PolarHBondContact O-OG 3.41Å |
| 118 | A | 52.5 | Low | 51.8 | Low | 59 Ų | 59 | 77.7 Ų | 77.7 | 49% | 0.488 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -31.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A114 V115 S116 S121 S122 | A114-A118 VanDerWaalsContact O-CB 3.28Å; A114-A118 WeakPolarHBondContact O-CB 3.35Å; A114-A118 PolarHBondContact O-N 2.97Å; V115-A118 PolarHBondContact O-N 3.14Å; S116-A118 PolarHBondContact O-N 3.48Å; A118-S121 PolarHBondContact O-OG 3.35Å; A118-S122 PolarHBondContact O-N 3.29Å |
| 119 | A | 55.5 | Low | 52 | Low | 46 Ų | 46 | 76.5 Ų | 76.5 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.6 | -48.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V115 S116 A117 S121 S122 W123 | V115-A119 PolarHBondContact O-N 3.4Å; S116-A119 WeakPolarHBondContact O-CB 3.48Å; S116-A119 PolarHBondContact O-N 3.13Å; A117-A119 VanDerWaalsContact C-N 3.34Å; A119-S121 PolarHBondContact O-N 2.73Å; A119-S122 WeakPolarHBondContact O-CB 3.47Å; A119-S122 PolarHBondContact O-N 2.97Å; A119-S122 VanDerWaalsContact O-N 3.16Å; A119-W123 PolarHBondContact O-N 2.91Å |
| 120 | A | 55.4 | Low | 52.3 | Low | 42 Ų | 42 | 72.4 Ų | 72.4 | 35% | 0.347 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | S116 A117 S122 W123 Y124 | S116-A120 PolarHBondContact O-N 3.26Å; A117-A120 PolarHBondContact O-N 3.15Å; A120-S122 VanDerWaalsContact C-N 3.34Å; A120-S122 PolarHBondContact O-N 3.35Å; A120-W123 WeakPolarHBondContact O-CB 3.5Å; A120-W123 PolarHBondContact O-N 3.4Å; A120-W123 VanDerWaalsContact O-N 3.08Å; A120-Y124 WeakPolarHBondContact O-CD2 3.4Å; A120-Y124 PolarHBondContact O-N 2.62Å; A120-Y124 VanDerWaalsContact O-N 3.11Å |
| 121 | S | 47.1 | Very low | 52.7 | Low | 76 Ų | 76 | 70.2 Ų | 70.2 | 53% | 0.531 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.9 | -34.6 | 176.4 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | A117 A118 A119 W123 Y124 G125 | A117-S121 PolarHBondContact O-N 3.34Å; A117-S121 PolarHBondContact O-OG 3.41Å; A118-S121 PolarHBondContact O-OG 3.35Å; A119-S121 PolarHBondContact O-N 2.73Å; S121-W123 VanDerWaalsContact C-N 3.31Å; S121-W123 PolarHBondContact O-N 3.34Å; S121-Y124 PolarHBondContact O-N 3.44Å; S121-G125 PolarHBondContact O-N 2.99Å |
| 122 | S | 53.6 | Low | 53.1 | Low | 64 Ų | 64 | 73.3 Ų | 73.3 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.9 | -32.4 | 170.1 | -172.5 | 0 | 0 | 0 | 0 | 112.8 | A118 A119 A120 V126 | A118-S122 PolarHBondContact O-N 3.29Å; A119-S122 WeakPolarHBondContact O-CB 3.47Å; A119-S122 PolarHBondContact O-N 2.97Å; A119-S122 VanDerWaalsContact O-N 3.16Å; A120-S122 VanDerWaalsContact C-N 3.34Å; A120-S122 PolarHBondContact O-N 3.35Å; S122-V126 WeakPolarHBondContact O-CG2 3.38Å; S122-V126 PolarHBondContact O-N 2.96Å |
| 123 | W | 51.7 | Low | 53.1 | Low | 88 Ų | 88 | 71.7 Ų | 71.7 | 33% | 0.333 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.5 | -42.1 | 175.6 | -73.5 | 115.5 | 0 | 0 | 0 | 112.3 | A119 A120 S121 G125 V126 A127 Y145 L149 V315 | A119-W123 PolarHBondContact O-N 2.91Å; A120-W123 WeakPolarHBondContact O-CB 3.5Å; A120-W123 PolarHBondContact O-N 3.4Å; A120-W123 VanDerWaalsContact O-N 3.08Å; S121-W123 VanDerWaalsContact C-N 3.31Å; S121-W123 PolarHBondContact O-N 3.34Å; W123-G125 VanDerWaalsContact C-N 3.32Å; W123-G125 PolarHBondContact O-N 3.35Å; W123-V126 PolarHBondContact O-N 3.46Å; W123-V126 VanDerWaalsContact O-N 3.15Å; W123-A127 WeakPolarHBondContact O-CB 3.35Å; W123-A127 PolarHBondContact O-N 3.43Å; W123-Y145 AromaticContact CH2-CE1 3.51Å; W123-Y145 HydrophobicContact CH2-CE1 3.51Å; W123-Y145 AromaticContact CH2-CZ 3.88Å; W123-Y145 WeakPolarHBondContact CH2-OH 3.49Å; W123-Y145 HydrophobicContact CZ2-CE1 4.38Å; W123-Y145 AromaticContact CZ3-CE1 3.74Å; W123-Y145 HydrophobicContact CZ3-CE1 3.74Å; W123-L149 HydrophobicContact CH2-CD1 3.9Å; W123-L149 HydrophobicContact CZ2-CD1 3.5Å; W123-V315 HydrophobicContact CH2-CG1 4.17Å; W123-V315 HydrophobicContact CH2-CG2 4.26Å; W123-V315 HydrophobicContact CZ2-CG1 4.42Å |
| 124 | Y | 51.4 | Low | 53.1 | Low | 174 Ų | 174 | 73.9 Ų | 73.9 | 68% | 0.682 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.7 | -39.1 | 175.9 | -74.1 | -67.6 | 0 | 0 | 0 | 112.7 | A120 S121 V126 A127 A128 | A120-Y124 WeakPolarHBondContact O-CD2 3.4Å; A120-Y124 PolarHBondContact O-N 2.62Å; A120-Y124 VanDerWaalsContact O-N 3.11Å; S121-Y124 PolarHBondContact O-N 3.44Å; Y124-V126 VanDerWaalsContact C-N 3.33Å; Y124-V126 PolarHBondContact O-N 3.49Å; Y124-A127 PolarHBondContact O-N 2.73Å; Y124-A128 WeakPolarHBondContact O-CB 3.45Å; Y124-A128 PolarHBondContact O-N 3.42Å |
| 125 | G | 56.5 | Low | 53 | Low | 47 Ų | 47 | 74.3 Ų | 74.3 | 49% | 0.485 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S121 W123 A129 | S121-G125 PolarHBondContact O-N 2.99Å; W123-G125 VanDerWaalsContact C-N 3.32Å; W123-G125 PolarHBondContact O-N 3.35Å; G125-A129 WeakPolarHBondContact O-CB 3.22Å; G125-A129 PolarHBondContact O-N 2.88Å; G125-A129 VanDerWaalsContact O-N 3.1Å |
| 126 | V | 56 | Low | 53 | Low | 51 Ų | 51 | 74 Ų | 74 | 31% | 0.309 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75 | -40.7 | 177.3 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | S122 W123 Y124 A128 A129 A130 | S122-V126 WeakPolarHBondContact O-CG2 3.38Å; S122-V126 PolarHBondContact O-N 2.96Å; W123-V126 PolarHBondContact O-N 3.46Å; W123-V126 VanDerWaalsContact O-N 3.15Å; Y124-V126 VanDerWaalsContact C-N 3.33Å; Y124-V126 PolarHBondContact O-N 3.49Å; V126-A128 VanDerWaalsContact C-N 3.35Å; V126-A129 PolarHBondContact O-N 2.88Å; V126-A130 WeakPolarHBondContact O-CB 3.37Å; V126-A130 PolarHBondContact O-N 3.39Å |
| 127 | A | 50.5 | Low | 52.9 | Low | 29 Ų | 29 | 80 Ų | 80 | 24% | 0.24 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W123 Y124 A130 A131 | W123-A127 WeakPolarHBondContact O-CB 3.35Å; W123-A127 PolarHBondContact O-N 3.43Å; Y124-A127 PolarHBondContact O-N 2.73Å; A127-A130 PolarHBondContact O-N 2.81Å; A127-A131 WeakPolarHBondContact O-CB 3.24Å; A127-A131 PolarHBondContact O-N 3.4Å |
| 128 | A | 56.1 | Low | 53.1 | Low | 58 Ų | 58 | 80.4 Ų | 80.4 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y124 V126 A130 A131 V132 | Y124-A128 WeakPolarHBondContact O-CB 3.45Å; Y124-A128 PolarHBondContact O-N 3.42Å; V126-A128 VanDerWaalsContact C-N 3.35Å; A128-A130 VanDerWaalsContact C-N 3.34Å; A128-A130 PolarHBondContact O-N 2.9Å; A128-A131 PolarHBondContact O-N 3.21Å; A128-V132 WeakPolarHBondContact O-CG2 3.24Å; A128-V132 PolarHBondContact O-N 2.87Å; A128-V132 VanDerWaalsContact O-N 3.17Å |
| 129 | A | 50.8 | Low | 52.9 | Low | 65 Ų | 65 | 81.9 Ų | 81.9 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G125 V126 V132 A133 | G125-A129 WeakPolarHBondContact O-CB 3.22Å; G125-A129 PolarHBondContact O-N 2.88Å; G125-A129 VanDerWaalsContact O-N 3.1Å; V126-A129 PolarHBondContact O-N 2.88Å; A129-V132 PolarHBondContact O-N 3.26Å; A129-A133 PolarHBondContact O-N 2.89Å |
| 130 | A | 50.1 | Low | 53.1 | Low | 36 Ų | 36 | 85.5 Ų | 85.5 | 30% | 0.298 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | V126 A127 A128 V132 A133 | V126-A130 WeakPolarHBondContact O-CB 3.37Å; V126-A130 PolarHBondContact O-N 3.39Å; A127-A130 PolarHBondContact O-N 2.81Å; A128-A130 VanDerWaalsContact C-N 3.34Å; A128-A130 PolarHBondContact O-N 2.9Å; A130-V132 PolarHBondContact O-N 2.84Å; A130-A133 WeakPolarHBondContact O-CB 3.28Å; A130-A133 PolarHBondContact O-N 2.84Å |
| 131 | A | 54.2 | Low | 53.7 | Low | 78 Ų | 78 | 89.6 Ų | 89.6 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -28.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A127 A128 | A127-A131 WeakPolarHBondContact O-CB 3.24Å; A127-A131 PolarHBondContact O-N 3.4Å; A128-A131 PolarHBondContact O-N 3.21Å |
| 132 | V | 55 | Low | 54.5 | Low | 126 Ų | 126 | 90.8 Ų | 90.8 | 76% | 0.764 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -77.2 | -21.1 | 173.6 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | A128 A129 A130 | A128-V132 WeakPolarHBondContact O-CG2 3.24Å; A128-V132 PolarHBondContact O-N 2.87Å; A128-V132 VanDerWaalsContact O-N 3.17Å; A129-V132 PolarHBondContact O-N 3.26Å; A130-V132 PolarHBondContact O-N 2.84Å |
| 133 | A | 51 | Low | 54.9 | Low | 55 Ų | 55 | 91.9 Ų | 91.9 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -78.9 | -20.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115 | A129 A130 D135 | A129-A133 PolarHBondContact O-N 2.89Å; A130-A133 WeakPolarHBondContact O-CB 3.28Å; A130-A133 PolarHBondContact O-N 2.84Å; A133-D135 PolarHBondContact O-N 2.8Å |
| 134 | N | 52 | Low | 55.7 | Low | 154 Ų | 154 | 92.5 Ų | 92.5 | 82% | 0.824 | 52% | 0.52 | S | S | * | . | | | trans | 55 | 14.4 | 173.5 | -116.7 | -8.3 | 0 | 0 | 0 | 117.1 | P136 | N134-P136 WeakPolarHBondContact O-CD 3.44Š|
| 135 | D | 50 | Low | 56.3 | Low | 68 Ų | 68 | 89 Ų | 89 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | | | trans | -87.3 | 116 | 179.3 | -173.7 | -19.9 | 0 | 0 | 0 | 111.3 | A133 R137 L138 | A133-D135 PolarHBondContact O-N 2.8Å; D135-R137 PolarHBondContact O-N 3.22Å; D135-R137 VanDerWaalsContact O-N 3.15Å; D135-R137 VanDerWaalsContact OD1-CB 3.27Å; D135-R137 WeakPolarHBondContact OD1-CB 3.43Å; D135-R137 WeakPolarHBondContact OD1-CG 3.33Å; D135-R137 PolarHBondContact OD1-N 2.93Å; D135-L138 HydrophobicContact CB-CD1 4.26Å; D135-L138 PolarHBondContact O-N 3.13Å |
| 136 | P | 56.1 | Low | 56.9 | Low | 99 Ų | 99 | 89.2 Ų | 89.2 | 64% | 0.643 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.3 | -16.2 | -180 | 27.5 | -35.2 | 0 | 0 | 0 | 114 | N134 | N134-P136 WeakPolarHBondContact O-CD 3.44Å |
| 137 | R | 52.4 | Low | 57.3 | Low | 205 Ų | 205 | 90.7 Ų | 90.7 | 77% | 0.774 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.4 | -38 | 176 | -55.6 | -176 | 75.6 | 172.9 | 3.8 | 111.6 | D135 N139 | D135-R137 PolarHBondContact O-N 3.22Å; D135-R137 VanDerWaalsContact O-N 3.15Å; D135-R137 VanDerWaalsContact OD1-CB 3.27Å; D135-R137 WeakPolarHBondContact OD1-CB 3.43Å; D135-R137 WeakPolarHBondContact OD1-CG 3.33Å; D135-R137 PolarHBondContact OD1-N 2.93Å; R137-N139 VanDerWaalsContact C-N 3.32Å; R137-N139 PolarHBondContact O-N 2.89Å |
| 138 | L | 58 | Low | 58.1 | Low | 69 Ų | 69 | 97 Ų | 97 | 36% | 0.361 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -32.6 | 176.9 | -87.3 | 165.4 | 0 | 0 | 0 | 112.3 | D135 N140 E141 Y142 | D135-L138 HydrophobicContact CB-CD1 4.26Å; D135-L138 PolarHBondContact O-N 3.13Å; L138-N140 PolarHBondContact O-N 2.89Å; L138-E141 PolarHBondContact O-N 3.34Å; L138-Y142 WeakPolarHBondContact O-CB 3.32Å; L138-Y142 PolarHBondContact O-N 2.89Å |
| 139 | N | 48.2 | Very low | 58.4 | Low | 90 Ų | 90 | 96.6 Ų | 96.6 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | -179.7 | -86.3 | -16.1 | 0 | 0 | 0 | 113.8 | R137 N143 | R137-N139 VanDerWaalsContact C-N 3.32Å; R137-N139 PolarHBondContact O-N 2.89Å; N139-N143 WeakPolarHBondContact O-CB 3.44Å; N139-N143 PolarHBondContact O-N 3.48Å; N139-N143 PolarHBondContact O-ND2 3.34Å; N139-N143 VanDerWaalsContact O-ND2 3.11Å |
| 140 | N | 59.7 | Low | 59 | Low | 121 Ų | 121 | 98.4 Ų | 98.4 | 65% | 0.647 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -73 | -43.8 | 179.3 | -81.3 | -4.7 | 0 | 0 | 0 | 112.3 | L138 Y142 N143 E144 | L138-N140 PolarHBondContact O-N 2.89Å; N140-Y142 VanDerWaalsContact C-N 3.31Å; N140-Y142 PolarHBondContact O-N 3.47Å; N140-N143 PolarHBondContact O-N 2.84Å; N140-E144 PolarHBondContact O-N 2.86Å; N140-E144 VanDerWaalsContact O-N 3.08Å |
| 141 | E | 67.6 | Low | 59.8 | Low | 129 Ų | 129 | 98.7 Ų | 98.7 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -38.6 | 173.3 | -68 | -168.6 | 155.2 | 0 | 0 | 111.5 | L138 E144 Y145 | L138-E141 PolarHBondContact O-N 3.34Å; E141-E144 PolarHBondContact O-N 3.35Å; E141-Y145 WeakPolarHBondContact O-CB 3.46Å; E141-Y145 PolarHBondContact O-N 2.86Å |
| 142 | Y | 62.8 | Low | 60.1 | Low | 100 Ų | 100 | 99.8 Ų | 99.8 | 39% | 0.392 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 173.9 | 178.6 | -98.1 | 0 | 0 | 0 | 111.8 | L138 N140 E144 Y145 V146 | L138-Y142 WeakPolarHBondContact O-CB 3.32Å; L138-Y142 PolarHBondContact O-N 2.89Å; N140-Y142 VanDerWaalsContact C-N 3.31Å; N140-Y142 PolarHBondContact O-N 3.47Å; Y142-E144 PolarHBondContact O-N 3.07Å; Y142-Y145 PolarHBondContact O-N 3.2Å; Y142-V146 HydrophobicContact CD1-CG2 4.13Å; Y142-V146 HydrophobicContact CD2-CG2 4.2Å; Y142-V146 HydrophobicContact CE1-CG2 3.82Å; Y142-V146 HydrophobicContact CE2-CG2 3.89Å; Y142-V146 HydrophobicContact CG-CG2 4.31Å; Y142-V146 WeakPolarHBondContact O-CB 3.25Å; Y142-V146 VanDerWaalsContact O-CG2 3.27Å; Y142-V146 WeakPolarHBondContact O-CG2 3.42Å; Y142-V146 PolarHBondContact O-N 3.4Å |
| 143 | N | 62.2 | Low | 60.3 | Low | 88 Ų | 88 | 96.1 Ų | 96.1 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 179.8 | -73.5 | -29.3 | 0 | 0 | 0 | 112.6 | N139 N140 S147 | N139-N143 WeakPolarHBondContact O-CB 3.44Å; N139-N143 PolarHBondContact O-N 3.48Å; N139-N143 PolarHBondContact O-ND2 3.34Å; N139-N143 VanDerWaalsContact O-ND2 3.11Å; N140-N143 PolarHBondContact O-N 2.84Å; N143-S147 WeakPolarHBondContact O-CB 3.47Å; N143-S147 PolarHBondContact O-N 3.36Å; N143-S147 PolarHBondContact O-OG 3.31Å |
| 144 | E | 69.8 | Low | 60.4 | Low | 101 Ų | 101 | 98 Ų | 98 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 174.7 | -167.9 | -176 | 146 | 0 | 0 | 111.5 | N140 E141 Y142 S147 R148 | N140-E144 PolarHBondContact O-N 2.86Å; N140-E144 VanDerWaalsContact O-N 3.08Å; E141-E144 PolarHBondContact O-N 3.35Å; Y142-E144 PolarHBondContact O-N 3.07Å; E144-S147 PolarHBondContact O-N 3.35Å; E144-R148 WeakPolarHBondContact O-CG 3.29Å; E144-R148 PolarHBondContact O-N 3.23Å; E144-R148 IonicContact OE1-CZ 3.81Å; E144-R148 IonicContact OE1-NH1 3.96Å; E144-R148 PolarHBondContact OE1-NH1 3.16Å; E144-R148 IonicContact OE1-NH2 3.79Å; E144-R148 PolarHBondContact OE1-NH2 3.48Å |
| 145 | Y | 63.9 | Low | 60.5 | Low | 101 Ų | 101 | 93.1 Ų | 93.1 | 40% | 0.396 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67 | -45.4 | 178.4 | -171.3 | -92.1 | 0 | 0 | 0 | 112.4 | W123 E141 Y142 S147 R148 L149 | W123-Y145 AromaticContact CH2-CE1 3.51Å; W123-Y145 HydrophobicContact CH2-CE1 3.51Å; W123-Y145 AromaticContact CH2-CZ 3.88Å; W123-Y145 WeakPolarHBondContact CH2-OH 3.49Å; W123-Y145 HydrophobicContact CZ2-CE1 4.38Å; W123-Y145 AromaticContact CZ3-CE1 3.74Å; W123-Y145 HydrophobicContact CZ3-CE1 3.74Å; E141-Y145 WeakPolarHBondContact O-CB 3.46Å; E141-Y145 PolarHBondContact O-N 2.86Å; Y142-Y145 PolarHBondContact O-N 3.2Å; Y145-S147 VanDerWaalsContact C-N 3.32Å; Y145-S147 PolarHBondContact O-N 3.02Å; Y145-R148 PolarHBondContact O-N 2.93Å; Y145-L149 HydrophobicContact CD1-CD1 4.44Å; Y145-L149 HydrophobicContact CE1-CB 4.48Å; Y145-L149 HydrophobicContact CE1-CD1 3.55Å; Y145-L149 WeakPolarHBondContact O-CB 3.33Å; Y145-L149 PolarHBondContact O-N 3.5Å |
| 146 | V | 68 | Low | 60.2 | Low | 51 Ų | 51 | 92.5 Ų | 92.5 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -43 | 173.9 | 168 | 0 | 0 | 0 | 0 | 110.5 | Y142 R148 L149 M150 | Y142-V146 HydrophobicContact CD1-CG2 4.13Å; Y142-V146 HydrophobicContact CD2-CG2 4.2Å; Y142-V146 HydrophobicContact CE1-CG2 3.82Å; Y142-V146 HydrophobicContact CE2-CG2 3.89Å; Y142-V146 HydrophobicContact CG-CG2 4.31Å; Y142-V146 WeakPolarHBondContact O-CB 3.25Å; Y142-V146 VanDerWaalsContact O-CG2 3.27Å; Y142-V146 WeakPolarHBondContact O-CG2 3.42Å; Y142-V146 PolarHBondContact O-N 3.4Å; V146-R148 VanDerWaalsContact C-N 3.34Å; V146-R148 PolarHBondContact O-N 3.48Å; V146-L149 PolarHBondContact O-N 3.31Å; V146-M150 HydrophobicContact CG1-CG 4.14Å; V146-M150 VanDerWaalsContact O-CB 3.32Å; V146-M150 WeakPolarHBondContact O-CB 3.4Å; V146-M150 VanDerWaalsContact O-CG 3.25Å; V146-M150 WeakPolarHBondContact O-CG 3.46Å; V146-M150 PolarHBondContact O-N 3.4Å |
| 147 | S | 64.8 | Low | 59.8 | Low | 82 Ų | 82 | 93.4 Ų | 93.4 | 57% | 0.573 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60 | -43.1 | 176.2 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | N143 E144 Y145 G151 | N143-S147 WeakPolarHBondContact O-CB 3.47Å; N143-S147 PolarHBondContact O-N 3.36Å; N143-S147 PolarHBondContact O-OG 3.31Å; E144-S147 PolarHBondContact O-N 3.35Å; Y145-S147 VanDerWaalsContact C-N 3.32Å; Y145-S147 PolarHBondContact O-N 3.02Å; S147-G151 PolarHBondContact O-N 3.22Å; S147-G151 VanDerWaalsContact O-N 3.09Å |
| 148 | R | 68.5 | Low | 59.7 | Low | 161 Ų | 161 | 87.1 Ų | 87.1 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 174.5 | -74.7 | -178.3 | 174.3 | 134.4 | 7.7 | 112.7 | E144 Y145 V146 G151 V152 | E144-R148 WeakPolarHBondContact O-CG 3.29Å; E144-R148 PolarHBondContact O-N 3.23Å; E144-R148 IonicContact OE1-CZ 3.81Å; E144-R148 IonicContact OE1-NH1 3.96Å; E144-R148 PolarHBondContact OE1-NH1 3.16Å; E144-R148 IonicContact OE1-NH2 3.79Å; E144-R148 PolarHBondContact OE1-NH2 3.48Å; Y145-R148 PolarHBondContact O-N 2.93Å; V146-R148 VanDerWaalsContact C-N 3.34Å; V146-R148 PolarHBondContact O-N 3.48Å; R148-G151 PolarHBondContact O-N 3.34Å; R148-V152 WeakPolarHBondContact O-CG2 3.28Å; R148-V152 PolarHBondContact O-N 2.96Å |
| 149 | L | 62.1 | Low | 59.1 | Low | 49 Ų | 49 | 89.1 Ų | 89.1 | 26% | 0.257 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72 | -38.2 | -176.7 | -159.1 | 151.9 | 0 | 0 | 0 | 111.5 | W123 Y145 V146 G151 V152 T153 | W123-L149 HydrophobicContact CH2-CD1 3.9Å; W123-L149 HydrophobicContact CZ2-CD1 3.5Å; Y145-L149 HydrophobicContact CD1-CD1 4.44Å; Y145-L149 HydrophobicContact CE1-CB 4.48Å; Y145-L149 HydrophobicContact CE1-CD1 3.55Å; Y145-L149 WeakPolarHBondContact O-CB 3.33Å; Y145-L149 PolarHBondContact O-N 3.5Å; V146-L149 PolarHBondContact O-N 3.31Å; L149-G151 VanDerWaalsContact C-N 3.3Å; L149-G151 PolarHBondContact O-N 3.07Å; L149-V152 PolarHBondContact O-N 2.93Å; L149-T153 WeakPolarHBondContact O-CB 3.47Å; L149-T153 PolarHBondContact O-N 3.37Å; L149-T153 PolarHBondContact O-OG1 2.93Å; L149-T153 VanDerWaalsContact O-OG1 3.12Å |
| 150 | M | 63.2 | Low | 59.1 | Low | 104 Ų | 104 | 88.9 Ų | 88.9 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.2 | -40 | 167.9 | -72.4 | -65.1 | -69.1 | 0 | 0 | 111.6 | V146 T153 N154 | V146-M150 HydrophobicContact CG1-CG 4.14Å; V146-M150 VanDerWaalsContact O-CB 3.32Å; V146-M150 WeakPolarHBondContact O-CB 3.4Å; V146-M150 VanDerWaalsContact O-CG 3.25Å; V146-M150 WeakPolarHBondContact O-CG 3.46Å; V146-M150 PolarHBondContact O-N 3.4Å; M150-T153 PolarHBondContact O-N 3.4Å; M150-N154 VanDerWaalsContact O-CB 3.3Å; M150-N154 WeakPolarHBondContact O-CB 3.45Å; M150-N154 VanDerWaalsContact O-CG 3.28Å; M150-N154 PolarHBondContact O-N 3.26Å |
| 151 | G | 65.7 | Low | 58 | Low | 42 Ų | 42 | 92.4 Ų | 92.4 | 43% | 0.433 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S147 R148 L149 A155 | S147-G151 PolarHBondContact O-N 3.22Å; S147-G151 VanDerWaalsContact O-N 3.09Å; R148-G151 PolarHBondContact O-N 3.34Å; L149-G151 VanDerWaalsContact C-N 3.3Å; L149-G151 PolarHBondContact O-N 3.07Å; G151-A155 WeakPolarHBondContact O-CB 3.2Å; G151-A155 PolarHBondContact O-N 3.14Å |
| 152 | V | 60.6 | Low | 56.6 | Low | 101 Ų | 101 | 92.7 Ų | 92.7 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | R148 L149 A155 A156 | R148-V152 WeakPolarHBondContact O-CG2 3.28Å; R148-V152 PolarHBondContact O-N 2.96Å; L149-V152 PolarHBondContact O-N 2.93Å; V152-A155 PolarHBondContact O-N 3.19Å; V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 3.23Å |
| 153 | T | 59.4 | Low | 55.2 | Low | 49 Ų | 49 | 90.6 Ų | 90.6 | 30% | 0.301 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 177.1 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | L149 M150 A155 A156 M157 | L149-T153 WeakPolarHBondContact O-CB 3.47Å; L149-T153 PolarHBondContact O-N 3.37Å; L149-T153 PolarHBondContact O-OG1 2.93Å; L149-T153 VanDerWaalsContact O-OG1 3.12Å; M150-T153 PolarHBondContact O-N 3.4Å; T153-A155 VanDerWaalsContact C-N 3.32Å; T153-A155 PolarHBondContact O-N 3.24Å; T153-A156 PolarHBondContact O-N 3.3Å; T153-M157 HydrophobicContact CG2-CE 3.66Å; T153-M157 HydrophobicContact CG2-SD 4.04Å; T153-M157 WeakPolarHBondContact O-CB 3.42Å; T153-M157 WeakPolarHBondContact O-CG 3.45Å; T153-M157 PolarHBondContact O-N 3.07Å |
| 154 | N | 53.7 | Low | 53.8 | Low | 93 Ų | 93 | 95 Ų | 95 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 175.7 | -74.9 | 0.5 | 0 | 0 | 0 | 111.5 | M150 M157 A158 | M150-N154 VanDerWaalsContact O-CB 3.3Å; M150-N154 WeakPolarHBondContact O-CB 3.45Å; M150-N154 VanDerWaalsContact O-CG 3.28Å; M150-N154 PolarHBondContact O-N 3.26Å; N154-M157 PolarHBondContact O-N 3.35Å; N154-A158 VanDerWaalsContact O-CB 3.3Å; N154-A158 WeakPolarHBondContact O-CB 3.35Å; N154-A158 PolarHBondContact O-N 3.37Å |
| 155 | A | 53.2 | Low | 52.2 | Low | 53 Ų | 53 | 97.6 Ų | 97.6 | 44% | 0.438 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.1 | -46.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G151 V152 T153 M157 A158 C159 | G151-A155 WeakPolarHBondContact O-CB 3.2Å; G151-A155 PolarHBondContact O-N 3.14Å; V152-A155 PolarHBondContact O-N 3.19Å; T153-A155 VanDerWaalsContact C-N 3.32Å; T153-A155 PolarHBondContact O-N 3.24Å; A155-M157 VanDerWaalsContact C-N 3.33Å; A155-M157 PolarHBondContact O-N 3.09Å; A155-A158 PolarHBondContact O-N 3.4Å; A155-C159 WeakPolarHBondContact O-CB 3.46Å; A155-C159 PolarHBondContact O-N 3.46Å; A155-C159 PolarHBondContact O-SG 3.19Å |
| 156 | A | 44.9 | Very low | 50.6 | Low | 55 Ų | 55 | 98.4 Ų | 98.4 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.7 | -38.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V152 T153 S160 | V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 3.23Å; T153-A156 PolarHBondContact O-N 3.3Å; A156-S160 WeakPolarHBondContact O-CB 3.4Å; A156-S160 PolarHBondContact O-N 3.16Å; A156-S160 PolarHBondContact O-OG 3.25Å |
| 157 | M | 47.8 | Very low | 49.1 | Very low | 117 Ų | 117 | 102.1 Ų | 102.1 | 58% | 0.576 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.2 | -44.5 | 174.3 | -71.8 | 176.1 | 175.4 | 0 | 0 | 111.8 | T153 N154 A155 C159 S160 Y161 | T153-M157 HydrophobicContact CG2-CE 3.66Å; T153-M157 HydrophobicContact CG2-SD 4.04Å; T153-M157 WeakPolarHBondContact O-CB 3.42Å; T153-M157 WeakPolarHBondContact O-CG 3.45Å; T153-M157 PolarHBondContact O-N 3.07Å; N154-M157 PolarHBondContact O-N 3.35Å; A155-M157 VanDerWaalsContact C-N 3.33Å; A155-M157 PolarHBondContact O-N 3.09Å; M157-C159 VanDerWaalsContact C-N 3.33Å; M157-C159 PolarHBondContact O-N 3.35Å; M157-S160 WeakPolarHBondContact O-CB 3.23Å; M157-S160 PolarHBondContact O-N 2.87Å; M157-Y161 PolarHBondContact O-N 3.08Å |
| 158 | A | 50 | Low | 47.7 | Very low | 74 Ų | 74 | 103.1 Ų | 103.1 | 61% | 0.612 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.3 | -38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N154 A155 S160 | N154-A158 VanDerWaalsContact O-CB 3.3Å; N154-A158 WeakPolarHBondContact O-CB 3.35Å; N154-A158 PolarHBondContact O-N 3.37Å; A155-A158 PolarHBondContact O-N 3.4Å; A158-S160 PolarHBondContact O-N 3.05Å |
| 159 | C | 44.5 | Very low | 46 | Very low | 111 Ų | 111 | 100.4 Ų | 100.4 | 75% | 0.75 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -14.1 | 172.4 | -67.8 | 0 | 0 | 0 | 0 | 114.1 | A155 M157 | A155-C159 WeakPolarHBondContact O-CB 3.46Å; A155-C159 PolarHBondContact O-N 3.46Å; A155-C159 PolarHBondContact O-SG 3.19Å; M157-C159 VanDerWaalsContact C-N 3.33Å; M157-C159 PolarHBondContact O-N 3.35Å |
| 160 | S | 48.1 | Very low | 44.7 | Very low | 85 Ų | 85 | 106.1 Ų | 106.1 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -6.4 | -176 | -58.5 | 0 | 0 | 0 | 0 | 114.2 | A156 M157 A158 | A156-S160 WeakPolarHBondContact O-CB 3.4Å; A156-S160 PolarHBondContact O-N 3.16Å; A156-S160 PolarHBondContact O-OG 3.25Å; M157-S160 WeakPolarHBondContact O-CB 3.23Å; M157-S160 PolarHBondContact O-N 2.87Å; A158-S160 PolarHBondContact O-N 3.05Å |
| 161 | Y | 38.2 | Very low | 43.3 | Very low | 195 Ų | 195 | 107 Ų | 107 | 77% | 0.765 | 67% | 0.666 | S | S | * | * | | | trans | -128.4 | 75.6 | 179.9 | -84.5 | -88.3 | 0 | 0 | 0 | 112.7 | M157 G163 | M157-Y161 PolarHBondContact O-N 3.08Å; Y161-G163 PolarHBondContact O-N 3.5Å |
| 162 | P | 36.9 | Very low | 41.7 | Very low | 134 Ų | 134 | 108.8 Ų | 108.8 | 87% | 0.87 | 68% | 0.684 | S | S | * | * | | | trans | -78.4 | 62.3 | 171.5 | 35 | -36 | 0 | 0 | 0 | 111 | | |
| 163 | G | 34.7 | Very low | 40.4 | Very low | 56 Ų | 56 | 109.3 Ų | 109.3 | 58% | 0.577 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -172.4 | 113.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y161 | Y161-G163 PolarHBondContact O-N 3.5Š|
| 164 | H | 32.9 | Very low | 38.9 | Very low | 180 Ų | 180 | 118 Ų | 118 | 83% | 0.833 | 72% | 0.717 | S | S | * | * | | | trans | 59.6 | 91.2 | 145.5 | -151.1 | -85.3 | 0 | 0 | 0 | 118.4 | | |
| 165 | L | 34.3 | Very low | 37.9 | Very low | 156 Ų | 156 | 117.4 Ų | 117.4 | 82% | 0.817 | 73% | 0.732 | S | S | * | * | | | | 172.5 | 116.1 | 129.4 | -93 | 166 | 0 | 0 | 0 | 110.4 | | |
| 166 | S | 32.2 | Very low | 36.7 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | -104.7 | 116.8 | 178.6 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 167 | P | 34.6 | Very low | 36.1 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -97.5 | 100.6 | 170.6 | 33.3 | -27.4 | 0 | 0 | 0 | 110.9 | S169 | P167-S169 PolarHBondContact O-N 3.2Š|
| 168 | S | 36.5 | Very low | 35.2 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -89 | 105.5 | -176.9 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 169 | S | 33.2 | Very low | 34.4 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | 48.4 | 96.8 | 140.1 | 62.9 | 0 | 0 | 0 | 0 | 120.7 | P167 | P167-S169 PolarHBondContact O-N 3.2Š|
| 170 | L | 35 | Very low | 33.8 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | | | trans | -144 | 122 | 135.9 | -81.4 | 108.6 | 0 | 0 | 0 | 105.7 | | |
| 171 | S | 32.6 | Very low | 33 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | cis | 63.8 | 102.1 | 43.9 | -158.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 172 | G | 32.2 | Very low | 32.7 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | 164.7 | 67.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 173 | T | 33.1 | Very low | 32.3 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | | | trans | -38.4 | 143.5 | 173.2 | 37.3 | 0 | 0 | 0 | 0 | 119 | | |
| 174 | Y | 28.1 | Very low | 32.2 | Very low | 231 Ų | 231 | 136.8 Ų | 136.8 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | | | trans | 64.5 | 129.8 | 155.8 | -54.1 | -56.3 | 0 | 0 | 0 | 119.6 | | |
| 175 | G | 32.6 | Very low | 32.3 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | 169.9 | 55.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F177 | G175-F177 PolarHBondContact O-N 2.76Š|
| 176 | L | 28.2 | Very low | 32.1 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | | | trans | -68.5 | 111.5 | 171.9 | -81 | 165.3 | 0 | 0 | 0 | 110.5 | | |
| 177 | F | 33.4 | Very low | 32.2 | Very low | 216 Ų | 216 | 135.8 Ų | 135.8 | 95% | 0.947 | 78% | 0.777 | S | S | * | * | | | trans | -151.8 | 116.2 | 145.3 | -95.4 | -65.4 | 0 | 0 | 0 | 110.8 | G175 | G175-F177 PolarHBondContact O-N 2.76Š|
| 178 | N | 28.6 | Very low | 32.1 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | | | trans | -120.1 | 118.6 | 174.2 | 176 | 24.4 | 0 | 0 | 0 | 109 | | |
| 179 | N | 32.4 | Very low | 31.9 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | -171.3 | 118.4 | 143.4 | -91.8 | -35.9 | 0 | 0 | 0 | 106.4 | | |
| 180 | N | 31.4 | Very low | 31.9 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | | | | 70.8 | 131.3 | 67.5 | -76.1 | -35.6 | 0 | 0 | 0 | 113.6 | | |
| 181 | N | 31 | Very low | 31.7 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | 72.2 | 140.6 | 164 | -52.9 | -18.2 | 0 | 0 | 0 | 115.4 | | |
| 182 | N | 33.3 | Very low | 31.6 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | | | cis | -137.6 | 137.8 | 5.2 | -114.5 | -19 | 0 | 0 | 0 | 112.1 | | |
| 183 | T | 28.9 | Very low | 31.5 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | -64.3 | 128 | 148.8 | 46.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 184 | N | 31.8 | Very low | 31.4 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | | | trans | -162.7 | 139.2 | 156.9 | -109.7 | -22.7 | 0 | 0 | 0 | 112.1 | | |
| 185 | N | 35.5 | Very low | 31.5 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | | | trans | 66.6 | 121.7 | 172.4 | -51.7 | -37.4 | 0 | 0 | 0 | 114.9 | | |
| 186 | N | 30.2 | Very low | 31.6 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | | | | 69.5 | 152.8 | 62.7 | -79.1 | -29.1 | 0 | 0 | 0 | 114.1 | | |
| 187 | I | 33.8 | Very low | 31.6 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | | | trans | 82.7 | 82.6 | 179.5 | -50.8 | 177.7 | 0 | 0 | 0 | 113.8 | | |
| 188 | T | 32 | Very low | 31.6 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | | | | 21.7 | 131.9 | 127.8 | 57.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 189 | G | 32.6 | Very low | 31.9 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | | | trans | 176.3 | 78.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 190 | H | 33.9 | Very low | 31.9 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 75% | 0.75 | 72% | 0.72 | S | S | * | * | | | trans | 11.9 | 125.5 | 149.2 | -77 | -65.5 | 0 | 0 | 0 | 122.2 | | |
| 191 | N | 30.2 | Very low | 32.1 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | | | | 72.8 | 153.7 | 128.7 | -51.5 | -5.2 | 0 | 0 | 0 | 120.4 | | |
| 192 | S | 30 | Very low | 32.3 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | | | trans | 32.6 | 132.7 | 140.8 | 61.3 | 0 | 0 | 0 | 0 | 120 | | |
| 193 | S | 29.5 | Very low | 32.4 | Very low | 84 Ų | 84 | 133.5 Ų | 133.5 | 59% | 0.587 | 72% | 0.724 | S | S | * | * | | | cis | -173.4 | -165.1 | 6.7 | 33.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 194 | E | 31.8 | Very low | 32.9 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | | | trans | 47.2 | 135.9 | 143.4 | -74.4 | 150.6 | 147.1 | 0 | 0 | 120.1 | | |
| 195 | F | 30.1 | Very low | 33.2 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 80% | 0.798 | 72% | 0.722 | S | S | * | * | | | cis | 172.9 | 177.1 | -2.7 | -138.3 | -96.7 | 0 | 0 | 0 | 102.4 | | |
| 196 | S | 35 | Very low | 33.2 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | | | trans | 65.5 | 117 | 156.3 | -61.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 197 | N | 28.8 | Very low | 33.6 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | | | | 38.9 | 134.5 | 106.8 | -64.7 | -20.3 | 0 | 0 | 0 | 118.9 | | |
| 198 | S | 33.2 | Very low | 33.7 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | | | cis | -177.1 | -176.1 | 10.8 | 47.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 199 | H | 34.3 | Very low | 34.4 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 64% | 0.644 | 71% | 0.712 | S | S | * | * | | | trans | 74.4 | 119.2 | 148.6 | -77.5 | -51.2 | 0 | 0 | 0 | 120.5 | | |
| 200 | F | 31.8 | Very low | 34.5 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | | | | 76.5 | 155.3 | 121.8 | -71.9 | -21 | 0 | 0 | 0 | 118.9 | | |
| 201 | I | 35.7 | Very low | 34.7 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 63% | 0.631 | 71% | 0.714 | S | S | * | * | | | cis | -149.5 | 126 | -0.8 | -126.7 | 158.3 | 0 | 0 | 0 | 111.1 | | |
| 202 | T | 35 | Very low | 35.1 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | | | trans | 69.7 | 163.2 | 136.3 | -54.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 203 | R | 36.4 | Very low | 35.3 | Very low | 211 Ų | 211 | 134.7 Ų | 134.7 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | | | cis | -152.7 | 121.3 | 26.1 | -155.4 | 152.3 | -130.4 | -147.9 | 3.6 | 114.3 | | |
| 204 | T | 39.7 | Very low | 35.5 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | | | trans | 66.8 | 158 | 140.4 | 60.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 205 | R | 37.8 | Very low | 35.6 | Very low | 206 Ų | 206 | 132.2 Ų | 132.2 | 78% | 0.777 | 72% | 0.717 | S | S | * | * | | | cis | -157.7 | 146.6 | 0.6 | -125.5 | 155.3 | -172 | -177.5 | 1 | 111.2 | | |
| 206 | N | 34.5 | Very low | 35.8 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | | | trans | 51.1 | 149.2 | 137.6 | -66.6 | 21.4 | 0 | 0 | 0 | 121 | | |
| 207 | T | 40.1 | Very low | 35.7 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | | | cis | -162.2 | 129.3 | -2.5 | 15.3 | 0 | 0 | 0 | 0 | 106.2 | | |
| 208 | S | 35.3 | Very low | 36 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | | | | 90.9 | 149 | 70.1 | -59.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 209 | P | 46.8 | Very low | 36.1 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | | | trans | -130.5 | -148.7 | -151.5 | 42.8 | -23.8 | 0 | 0 | 0 | 114.1 | | |
| 210 | R | 34 | Very low | 36.2 | Very low | 232 Ų | 232 | 130.3 Ų | 130.3 | 88% | 0.875 | 74% | 0.735 | S | S | * | * | | | trans | 101.4 | 148 | 179.5 | -60.3 | 161.8 | 74.5 | -169.5 | 6.7 | 112.7 | | |
| 211 | S | 38.1 | Very low | 36.4 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | cis | -160.4 | -167.4 | -16.5 | 49.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 212 | S | 38.5 | Very low | 36.4 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | | | cis | -161.2 | 172.9 | 26.5 | -43.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 213 | S | 34.8 | Very low | 36.6 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | trans | -55 | 172.7 | 156.3 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 214 | S | 34.8 | Very low | 36.8 | Very low | 94 Ų | 94 | 121 Ų | 121 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | | | cis | -172 | 145 | 4.7 | 23.4 | 0 | 0 | 0 | 0 | 113 | | |
| 215 | S | 33.3 | Very low | 36.7 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | | | | 50.2 | 145.8 | 125.5 | -41.7 | 0 | 0 | 0 | 0 | 124.5 | | |
| 216 | T | 33.5 | Very low | 36.8 | Very low | 132 Ų | 132 | 119.7 Ų | 119.7 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | | | trans | 66.3 | 152.8 | 150.2 | 53.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 217 | S | 32.6 | Very low | 37.3 | Very low | 109 Ų | 109 | 119.1 Ų | 119.1 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | | | cis | -173.3 | 167.3 | -22.9 | -96.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 218 | A | 35.6 | Very low | 37.5 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | trans | 90.8 | 108.8 | 140.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 219 | V | 36.1 | Very low | 38.2 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | | 60.4 | 150.9 | 121.4 | -161.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 220 | L | 36.9 | Very low | 37.7 | Very low | 154 Ų | 154 | 121.3 Ų | 121.3 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | | | trans | 96.1 | 146.5 | 166 | -69.9 | 105.1 | 0 | 0 | 0 | 117.1 | | |
| 221 | S | 34.5 | Very low | 37.9 | Very low | 111 Ų | 111 | 113.4 Ų | 113.4 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | | | cis | -174.7 | 147.8 | -26.6 | -97.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 222 | G | 36 | Very low | 37.7 | Very low | 61 Ų | 61 | 115.7 Ų | 115.7 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | | | trans | 143.2 | 127.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 223 | T | 39.1 | Very low | 37.6 | Very low | 132 Ų | 132 | 114.2 Ų | 114.2 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | | | | 66 | 128.3 | 73.5 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 224 | T | 40.2 | Very low | 37.4 | Very low | 111 Ų | 111 | 114.8 Ų | 114.8 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | | | cis | -171.9 | 160.1 | 11.1 | 6.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 225 | N | 37.6 | Very low | 37.4 | Very low | 132 Ų | 132 | 120.8 Ų | 120.8 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | 68.7 | 130.7 | 154.1 | -58.6 | -14.4 | 0 | 0 | 0 | 118.6 | | |
| 226 | I | 40.4 | Very low | 37.3 | Very low | 153 Ų | 153 | 122.8 Ų | 122.8 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | | 77.3 | 135.8 | 57.3 | -65.8 | 166.3 | 0 | 0 | 0 | 111.9 | | |
| 227 | P | 45 | Very low | 37.2 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | cis | -132 | -166.2 | 13.9 | 37.5 | -16 | 0 | 0 | 0 | 117.2 | | |
| 228 | M | 45.2 | Very low | 37 | Very low | 153 Ų | 153 | 122.3 Ų | 122.3 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | trans | -86.7 | 174.4 | 173.9 | -55.2 | -173.3 | -70.7 | 0 | 0 | 114.1 | T230 | M228-T230 HydrophobicContact CB-CG2 4.26Å; M228-T230 HydrophobicContact CE-CG2 3.62Å; M228-T230 HydrophobicContact SD-CG2 4.11Å |
| 229 | P | 50.3 | Low | 36.7 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | | -131.7 | 142.9 | 90.7 | 37.6 | -28.3 | 0 | 0 | 0 | 112.9 | | |
| 230 | T | 35.7 | Very low | 36.4 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | | | | 65.6 | 117.1 | 55.4 | 67.6 | 0 | 0 | 0 | 0 | 115.6 | M228 | M228-T230 HydrophobicContact CB-CG2 4.26Å; M228-T230 HydrophobicContact CE-CG2 3.62Å; M228-T230 HydrophobicContact SD-CG2 4.11Å |
| 231 | G | 37.3 | Very low | 36.2 | Very low | 66 Ų | 66 | 123.7 Ų | 123.7 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | | | trans | 154.7 | 50.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 232 | T | 35 | Very low | 36.1 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | | | | 40.5 | 105.6 | 103.2 | 61.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 233 | G | 34.9 | Very low | 36.1 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | | | trans | -170.3 | 83.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 234 | S | 30.8 | Very low | 35.8 | Very low | 117 Ų | 117 | 127 Ų | 127 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -72.4 | 124.6 | -175.8 | -53.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 235 | Y | 34.8 | Very low | 35.3 | Very low | 220 Ų | 220 | 129 Ų | 129 | 86% | 0.863 | 76% | 0.756 | S | S | * | * | | | trans | -139.1 | 149.6 | 159.1 | -81.1 | -69.6 | 0 | 0 | 0 | 113.2 | | |
| 236 | N | 32.8 | Very low | 35.2 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | | | trans | -43.4 | 134.4 | -179.7 | -63.7 | -33.9 | 0 | 0 | 0 | 113.1 | | |
| 237 | S | 30.1 | Very low | 34.7 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | | | | 59.5 | 121.2 | 74.8 | -76 | 0 | 0 | 0 | 0 | 114.6 | | |
| 238 | T | 29.9 | Very low | 34.1 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | trans | 68.7 | 104.8 | 158.3 | 46.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 239 | N | 28.6 | Very low | 33.7 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | | | | 88.5 | 145.8 | 129.2 | -84.5 | -1.3 | 0 | 0 | 0 | 122 | | |
| 240 | N | 30.1 | Very low | 32.8 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | | | trans | 66.3 | 115.7 | 159.1 | -59 | -6.8 | 0 | 0 | 0 | 115 | | |
| 241 | N | 32.9 | Very low | 32.6 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | cis | -157.7 | 168.4 | 32.4 | -75.3 | -64.6 | 0 | 0 | 0 | 113.2 | | |
| 242 | N | 32.2 | Very low | 32.4 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | trans | 38.5 | 120.2 | 149 | -54.7 | -17.2 | 0 | 0 | 0 | 118.2 | | |
| 243 | S | 34.4 | Very low | 32.3 | Very low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | | -168.1 | 157.6 | 62.2 | -61.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 244 | N | 32.9 | Very low | 32.3 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | 70.8 | 102.6 | 148.2 | -61.9 | -16.4 | 0 | 0 | 0 | 122.1 | | |
| 245 | N | 30 | Very low | 32.5 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | | 74.7 | 126.7 | 123.8 | -52.6 | -23.1 | 0 | 0 | 0 | 121.2 | | |
| 246 | G | 35.9 | Very low | 32.3 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | 105.8 | 118.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 247 | R | 29.8 | Very low | 32.5 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 62% | 0.623 | 78% | 0.778 | S | S | * | * | | | cis | 94 | 47.9 | 35 | -155.5 | -167.9 | -175.2 | -143.1 | -6.4 | 115.2 | P64 | P64-R247 PolarHBondContact O-NH1 3.3Å; P64-R247 PolarHBondContact O-NH2 3.06Å |
| 248 | F | 33.4 | Very low | 32.6 | Very low | 196 Ų | 196 | 146.2 Ų | 146.2 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -144.3 | 140.6 | 168.7 | -89 | -80.7 | 0 | 0 | 0 | 115.8 | | |
| 249 | T | 36 | Very low | 32.6 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | | | trans | 28.3 | 127.4 | 151.7 | 52.6 | 0 | 0 | 0 | 0 | 125.3 | | |
| 250 | R | 31.1 | Very low | 32.9 | Very low | 255 Ų | 255 | 147.5 Ų | 147.5 | 96% | 0.962 | 78% | 0.78 | S | S | * | * | | | trans | 43.2 | 114 | 141.5 | -76.3 | -176 | 171.1 | 169.4 | -1.3 | 121.2 | | |
| 251 | G | 31 | Very low | 33.2 | Very low | 66 Ų | 66 | 146.3 Ų | 146.3 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | | | trans | 137.2 | 139 | 131 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 252 | R | 33.4 | Very low | 33.3 | Very low | 218 Ų | 218 | 146 Ų | 146 | 82% | 0.823 | 79% | 0.787 | S | S | * | * | | | trans | 64 | 161 | 174.2 | -51.2 | -177.1 | -175.6 | -171.5 | 0.9 | 113.3 | | |
| 253 | Y | 33 | Very low | 33.7 | Very low | 200 Ų | 200 | 144.6 Ų | 144.6 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | | | cis | -136.5 | 165.4 | 18.4 | -87.7 | -94.5 | 0 | 0 | 0 | 113 | | |
| 254 | S | 34.9 | Very low | 33.7 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -88 | 148.3 | 163.6 | -51.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 255 | N | 35.3 | Very low | 33.9 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | | | trans | -149.6 | 135.6 | 154.1 | -105.3 | -21.8 | 0 | 0 | 0 | 109.5 | | |
| 256 | N | 31.2 | Very low | 34.1 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | trans | -90.2 | 137.8 | 173.5 | -72.6 | -44.8 | 0 | 0 | 0 | 109.6 | | |
| 257 | L | 36 | Very low | 33.9 | Very low | 182 Ų | 182 | 151 Ų | 151 | 95% | 0.953 | 79% | 0.793 | S | S | * | * | | | trans | -126.3 | 120.8 | 153 | -91.4 | 163.7 | 0 | 0 | 0 | 106.9 | | |
| 258 | S | 32.7 | Very low | 34.1 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | | | trans | -120.1 | 164.6 | 179.2 | -171.4 | 0 | 0 | 0 | 0 | 109 | | |
| 259 | C | 28.8 | Very low | 34 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | | | trans | 39.3 | 112.3 | 166.6 | 48.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 260 | H | 36.2 | Very low | 33.9 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | | | | -136.7 | 148.8 | 108 | -97 | -63.4 | 0 | 0 | 0 | 111.1 | | |
| 261 | S | 35.1 | Very low | 33.8 | Very low | 102 Ų | 102 | 147 Ų | 147 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | trans | -83.8 | 153 | -173.4 | -48.5 | 0 | 0 | 0 | 0 | 112 | P263 | S261-P263 WeakPolarHBondContact O-CD 3.44Š|
| 262 | P | 35.2 | Very low | 34.1 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -80.1 | 140.3 | 168.3 | 33.4 | -33.2 | 0 | 0 | 0 | 111.5 | | |
| 263 | P | 42.2 | Very low | 34.1 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -117.2 | 158.2 | 148.1 | 35.9 | -27.4 | 0 | 0 | 0 | 112 | S261 | S261-P263 WeakPolarHBondContact O-CD 3.44Š|
| 264 | N | 33.7 | Very low | 33.9 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | -11.2 | 157.7 | 159.7 | -44.2 | -35.4 | 0 | 0 | 0 | 117.4 | | |
| 265 | I | 36.7 | Very low | 33.8 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | cis | -170.6 | 158.6 | 48.2 | -53.8 | 162.6 | 0 | 0 | 0 | 106.8 | | |
| 266 | P | 33.9 | Very low | 33.6 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | cis | -119.5 | -160.8 | -40.1 | 39.6 | -22.4 | 0 | 0 | 0 | 111.2 | | |
| 267 | Q | 32.7 | Very low | 33.7 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | -80.8 | 151.1 | 163.7 | -59.6 | 163.6 | -68.9 | 0 | 0 | 112 | | |
| 268 | S | 34.1 | Very low | 33.6 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -150.3 | 144.4 | 140.8 | 55.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 269 | N | 30.2 | Very low | 33.3 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | | | trans | -102.8 | 140.1 | -178.3 | -55.5 | -70.3 | 0 | 0 | 0 | 109.6 | | |
| 270 | H | 35.2 | Very low | 33.5 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | trans | -140 | 130.4 | 151.6 | -93.3 | -77.6 | 0 | 0 | 0 | 111 | | |
| 271 | R | 28.4 | Very low | 33.1 | Very low | 208 Ų | 208 | 141 Ų | 141 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -76.9 | 141.7 | 160 | -71.1 | 179.5 | 174.7 | 161.2 | -4.8 | 109 | D273 | R271-D273 VanDerWaalsContact CB-OD2 3.3Å; R271-D273 WeakPolarHBondContact CB-OD2 3.45Å |
| 272 | I | 37 | Very low | 33.1 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | | | trans | -142.5 | 97.9 | 147 | -55.6 | -179.1 | 0 | 0 | 0 | 101.7 | | |
| 273 | D | 32.9 | Very low | 33 | Very low | 116 Ų | 116 | 144 Ų | 144 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | | | | 63.4 | 151.9 | 56.9 | -65.6 | -40 | 0 | 0 | 0 | 113.7 | R271 | R271-D273 VanDerWaalsContact CB-OD2 3.3Å; R271-D273 WeakPolarHBondContact CB-OD2 3.45Å |
| 274 | S | 29.1 | Very low | 32.4 | Very low | 85 Ų | 85 | 144.7 Ų | 144.7 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | | | trans | -60.1 | 143.7 | -151.1 | -158.1 | 0 | 0 | 0 | 0 | 116 | D276 | S274-D276 WeakPolarHBondContact CB-OD2 3.45Å; S274-D276 PolarHBondContact OG-N 3.41Å; S274-D276 PolarHBondContact OG-OD2 3.32Å |
| 275 | L | 34.4 | Very low | 32.4 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | | | trans | -123.6 | 86.7 | 148.3 | -79.2 | -179.1 | 0 | 0 | 0 | 109.3 | Y277 | L275-Y277 PolarHBondContact O-N 3.39Š|
| 276 | D | 29.7 | Very low | 32.2 | Very low | 125 Ų | 125 | 147 Ų | 147 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | | | trans | -60.4 | 126.8 | 162.8 | -70.2 | -91.4 | 0 | 0 | 0 | 110.1 | S274 | S274-D276 WeakPolarHBondContact CB-OD2 3.45Å; S274-D276 PolarHBondContact OG-N 3.41Å; S274-D276 PolarHBondContact OG-OD2 3.32Å |
| 277 | Y | 33.3 | Very low | 32.2 | Very low | 225 Ų | 225 | 149.2 Ų | 149.2 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | | | trans | -122.6 | 76.7 | 158.6 | -138.7 | -88 | 0 | 0 | 0 | 111.6 | L275 | L275-Y277 PolarHBondContact O-N 3.39Š|
| 278 | Q | 33.9 | Very low | 32.4 | Very low | 132 Ų | 132 | 148 Ų | 148 | 62% | 0.617 | 77% | 0.766 | S | S | * | * | | | trans | 43.6 | 107.9 | 132.6 | -67.4 | -63.6 | -13.2 | 0 | 0 | 118.4 | | |
| 279 | N | 26.1 | Very low | 32.3 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | trans | -7.1 | 120.1 | 143.9 | -57.5 | -62.4 | 0 | 0 | 0 | 116.6 | | |
| 280 | S | 33.5 | Very low | 32.5 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | trans | -122 | 80.1 | 150 | 54.1 | 0 | 0 | 0 | 0 | 109.4 | I282 | S280-I282 PolarHBondContact O-N 3.46Š|
| 281 | S | 27.5 | Very low | 32.6 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | trans | -60.9 | 119.2 | -179.8 | -47.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 282 | I | 35.3 | Very low | 33.3 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | | | trans | -124.8 | 121.3 | 160.7 | -61.7 | -174.1 | 0 | 0 | 0 | 109.9 | S280 | S280-I282 PolarHBondContact O-N 3.46Š|
| 283 | N | 33.4 | Very low | 33.7 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | -58.8 | 152.6 | -177.1 | -57.5 | -63.6 | 0 | 0 | 0 | 113.8 | F285 | N283-F285 PolarHBondContact O-N 3.02Š|
| 284 | T | 29.4 | Very low | 34.2 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | | | trans | -5.1 | 107.4 | 138.7 | -50.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 285 | F | 32.9 | Very low | 34.6 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 80% | 0.803 | 77% | 0.765 | S | S | * | * | | | trans | -122.8 | 103 | 147.6 | -100 | -79.9 | 0 | 0 | 0 | 109.9 | N283 M287 | N283-F285 PolarHBondContact O-N 3.02Å; F285-M287 PolarHBondContact O-N 3.47Å |
| 286 | Q | 32.4 | Very low | 35.1 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | | | trans | -71.5 | 109.7 | 170 | -178.5 | -179.7 | 9.2 | 0 | 0 | 108.2 | | |
| 287 | M | 35.7 | Very low | 35.8 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | | | trans | -128.3 | 147.9 | 169.1 | -77.9 | -159.6 | 172.6 | 0 | 0 | 111.1 | F285 | F285-M287 PolarHBondContact O-N 3.47Š|
| 288 | N | 35.3 | Very low | 36.5 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | | | trans | -83.2 | 167.8 | -159.3 | -69 | -47.1 | 0 | 0 | 0 | 114.2 | S290 | N288-S290 PolarHBondContact O-N 2.82Š|
| 289 | N | 32 | Very low | 37.5 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | | | trans | -36.4 | 131.3 | 166.6 | -67.1 | -42.3 | 0 | 0 | 0 | 113.4 | | |
| 290 | S | 35.7 | Very low | 39 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | | | trans | 166.6 | 54.7 | 132.4 | -74 | 0 | 0 | 0 | 0 | 114.6 | N288 | N288-S290 PolarHBondContact O-N 2.82Š|
| 291 | N | 36.4 | Very low | 40.5 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | | | trans | -160.8 | 73.7 | 161.4 | -131.9 | -35.1 | 0 | 0 | 0 | 116.2 | | |
| 292 | V | 43.3 | Very low | 42.7 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 76% | 0.758 | 69% | 0.686 | S | S | * | * | | | trans | -88.4 | -18 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 112.7 | N294 | V292-N294 PolarHBondContact O-N 2.89Š|
| 293 | N | 44.6 | Very low | 44.3 | Very low | 141 Ų | 141 | 122 Ų | 122 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -2.6 | -162.7 | -65.5 | -1.8 | 0 | 0 | 0 | 115.8 | | |
| 294 | N | 43.2 | Very low | 46.1 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 65% | 0.652 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -14 | -174.1 | -108.1 | -22.2 | 0 | 0 | 0 | 115.7 | V292 | V292-N294 PolarHBondContact O-N 2.89Š|
| 295 | M | 38.2 | Very low | 48.2 | Very low | 153 Ų | 153 | 119.4 Ų | 119.4 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -85.7 | -20.2 | -178.1 | -71.9 | 178.7 | 69.9 | 0 | 0 | 114.2 | N297 | M295-N297 VanDerWaalsContact C-N 3.34Å; M295-N297 PolarHBondContact O-N 3.05Å |
| 296 | T | 45 | Very low | 50.5 | Low | 85 Ų | 85 | 114.3 Ų | 114.3 | 52% | 0.521 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.7 | -34.8 | 178.6 | 45.8 | 0 | 0 | 0 | 0 | 112.9 | S298 N299 N300 | T296-S298 PolarHBondContact O-N 3.27Å; T296-N299 PolarHBondContact O-N 2.82Å; T296-N300 PolarHBondContact O-N 3.45Å |
| 297 | N | 44 | Very low | 52.5 | Low | 97 Ų | 97 | 108.9 Ų | 108.9 | 52% | 0.519 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.2 | -33.7 | -172.2 | -141.8 | 1.8 | 0 | 0 | 0 | 113 | M295 N300 N301 | M295-N297 VanDerWaalsContact C-N 3.34Å; M295-N297 PolarHBondContact O-N 3.05Å; N297-N300 PolarHBondContact O-N 3.04Å; N297-N301 PolarHBondContact O-N 3.01Å; N297-N301 PolarHBondContact O-ND2 2.81Å |
| 298 | S | 48.1 | Very low | 54.7 | Low | 74 Ų | 74 | 106.6 Ų | 106.6 | 52% | 0.517 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.2 | -42.6 | 176.4 | -177.2 | 0 | 0 | 0 | 0 | 112.7 | T296 N301 T302 | T296-S298 PolarHBondContact O-N 3.27Å; S298-N301 PolarHBondContact O-N 3.41Å; S298-T302 PolarHBondContact O-N 3.15Å; S298-T302 VanDerWaalsContact O-N 3.16Å; S298-T302 PolarHBondContact O-OG1 2.91Å |
| 299 | N | 54.4 | Low | 56.8 | Low | 112 Ų | 112 | 103.3 Ų | 103.3 | 60% | 0.599 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.3 | -37 | -178 | -68.4 | -20.8 | 0 | 0 | 0 | 111.5 | T296 T302 A303 | T296-N299 PolarHBondContact O-N 2.82Å; N299-T302 PolarHBondContact O-N 3.35Å; N299-A303 WeakPolarHBondContact O-CB 3.32Å; N299-A303 PolarHBondContact O-N 2.78Å |
| 300 | N | 58.4 | Low | 59 | Low | 104 Ų | 104 | 102 Ų | 102 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.8 | -44.8 | 176 | -69.4 | -10.9 | 0 | 0 | 0 | 111.9 | T296 N297 T302 A303 A304 | T296-N300 PolarHBondContact O-N 3.45Å; N297-N300 PolarHBondContact O-N 3.04Å; N300-T302 PolarHBondContact O-N 2.87Å; N300-A303 PolarHBondContact O-N 3.31Å; N300-A304 WeakPolarHBondContact O-CB 3.4Å; N300-A304 PolarHBondContact O-N 3.33Å |
| 301 | N | 64.4 | Low | 60.9 | Low | 102 Ų | 102 | 99.2 Ų | 99.2 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 176.8 | -69.1 | -21.4 | 0 | 0 | 0 | 112.3 | N297 S298 A304 M305 | N297-N301 PolarHBondContact O-N 3.01Å; N297-N301 PolarHBondContact O-ND2 2.81Å; S298-N301 PolarHBondContact O-N 3.41Å; N301-A304 PolarHBondContact O-N 2.8Å; N301-M305 PolarHBondContact O-N 2.95Å |
| 302 | T | 74 | Confident | 63.2 | Low | 71 Ų | 71 | 98.2 Ų | 98.2 | 44% | 0.436 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 175 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | S298 N299 N300 L306 | S298-T302 PolarHBondContact O-N 3.15Å; S298-T302 VanDerWaalsContact O-N 3.16Å; S298-T302 PolarHBondContact O-OG1 2.91Å; N299-T302 PolarHBondContact O-N 3.35Å; N300-T302 PolarHBondContact O-N 2.87Å; T302-L306 HydrophobicContact CG2-CD1 4.34Å; T302-L306 WeakPolarHBondContact O-CB 3.3Å; T302-L306 PolarHBondContact O-N 3.33Å; T302-L306 VanDerWaalsContact O-N 3.08Å |
| 303 | A | 69.2 | Low | 65 | Low | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N299 N300 L306 A307 | N299-A303 WeakPolarHBondContact O-CB 3.32Å; N299-A303 PolarHBondContact O-N 2.78Å; N300-A303 PolarHBondContact O-N 3.31Å; A303-L306 CarbonylContact O-C 3.41Å; A303-L306 PolarHBondContact O-N 2.8Å; A303-A307 WeakPolarHBondContact O-CB 3.43Å; A303-A307 PolarHBondContact O-N 3.03Å |
| 304 | A | 71.8 | Confident | 66.3 | Low | 59 Ų | 59 | 94.3 Ų | 94.3 | 49% | 0.488 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | N300 N301 L306 A307 Y308 | N300-A304 WeakPolarHBondContact O-CB 3.4Å; N300-A304 PolarHBondContact O-N 3.33Å; N301-A304 PolarHBondContact O-N 2.8Å; A304-L306 VanDerWaalsContact C-N 3.34Å; A304-L306 PolarHBondContact O-N 2.78Å; A304-A307 WeakPolarHBondContact O-CB 3.42Å; A304-A307 PolarHBondContact O-N 3.49Å; A304-A307 VanDerWaalsContact O-N 3.09Å; A304-Y308 WeakPolarHBondContact O-CB 3.32Å; A304-Y308 PolarHBondContact O-N 3.26Å |
| 305 | M | 73.8 | Confident | 68 | Low | 141 Ų | 141 | 90 Ų | 90 | 70% | 0.695 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.4 | -45.2 | 173.4 | -72.8 | -142.2 | -55.7 | 0 | 0 | 112 | N301 A307 Y308 E309 | N301-M305 PolarHBondContact O-N 2.95Å; M305-A307 PolarHBondContact O-N 2.9Å; M305-Y308 PolarHBondContact O-N 2.95Å; M305-E309 WeakPolarHBondContact O-CB 3.47Å; M305-E309 PolarHBondContact O-N 3.47Å |
| 306 | L | 79.6 | Confident | 69.7 | Low | 76 Ų | 76 | 85.6 Ų | 85.6 | 40% | 0.398 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.3 | -16.8 | 177.5 | -85 | 168.1 | 0 | 0 | 0 | 113.9 | T302 A303 A304 K310 | T302-L306 HydrophobicContact CG2-CD1 4.34Å; T302-L306 WeakPolarHBondContact O-CB 3.3Å; T302-L306 PolarHBondContact O-N 3.33Å; T302-L306 VanDerWaalsContact O-N 3.08Å; A303-L306 CarbonylContact O-C 3.41Å; A303-L306 PolarHBondContact O-N 2.8Å; A304-L306 VanDerWaalsContact C-N 3.34Å; A304-L306 PolarHBondContact O-N 2.78Å; L306-K310 VanDerWaalsContact O-CD 3.24Å; L306-K310 WeakPolarHBondContact O-CD 3.47Å; L306-K310 WeakPolarHBondContact O-CE 3.48Å; L306-K310 WeakPolarHBondContact O-CG 3.47Å; L306-K310 PolarHBondContact O-NZ 3.47Å |
| 307 | A | 75.7 | Confident | 71.1 | Confident | 57 Ų | 57 | 86.6 Ų | 86.6 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -83.2 | -45.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A303 A304 M305 K310 H311 | A303-A307 WeakPolarHBondContact O-CB 3.43Å; A303-A307 PolarHBondContact O-N 3.03Å; A304-A307 WeakPolarHBondContact O-CB 3.42Å; A304-A307 PolarHBondContact O-N 3.49Å; A304-A307 VanDerWaalsContact O-N 3.09Å; M305-A307 PolarHBondContact O-N 2.9Å; A307-K310 PolarHBondContact O-N 3.32Å; A307-H311 WeakPolarHBondContact O-CB 3.38Å; A307-H311 PolarHBondContact O-N 3.37Å |
| 308 | Y | 81.5 | Confident | 72.5 | Confident | 117 Ų | 117 | 84.9 Ų | 84.9 | 46% | 0.459 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 177.4 | -176.9 | -99.6 | 0 | 0 | 0 | 112.5 | A304 M305 K310 H311 Q312 | A304-Y308 WeakPolarHBondContact O-CB 3.32Å; A304-Y308 PolarHBondContact O-N 3.26Å; M305-Y308 PolarHBondContact O-N 2.95Å; Y308-K310 VanDerWaalsContact C-N 3.33Å; Y308-K310 PolarHBondContact O-N 3.4Å; Y308-H311 WeakPolarHBondContact O-CB 3.44Å; Y308-H311 PolarHBondContact O-N 3Å; Y308-H311 VanDerWaalsContact O-N 3.11Å; Y308-Q312 HydrophobicContact CD1-CG 4.41Å; Y308-Q312 HydrophobicContact CE1-CG 4.04Å; Y308-Q312 PolarHBondContact O-N 2.95Å; Y308-Q312 PolarHBondContact OH-NE2 3.03Å; Y308-Q312 VanDerWaalsContact OH-NE2 3.13Å |
| 309 | E | 80 | Confident | 73.6 | Confident | 79 Ų | 79 | 84.2 Ų | 84.2 | 37% | 0.369 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 175.5 | -167.8 | -150.7 | 161.9 | 0 | 0 | 112.2 | M305 K313 | M305-E309 WeakPolarHBondContact O-CB 3.47Å; M305-E309 PolarHBondContact O-N 3.47Å; E309-K313 WeakPolarHBondContact O-CG 3.44Å; E309-K313 PolarHBondContact O-N 3.37Å; E309-K313 VanDerWaalsContact O-N 3.1Å; E309-K313 WeakPolarHBondContact OE1-CE 3.48Å; E309-K313 IonicContact OE1-NZ 2.67Å; E309-K313 PolarHBondContact OE1-NZ 3.17Å |
| 310 | K | 78 | Confident | 74.2 | Confident | 128 Ų | 128 | 81.8 Ų | 81.8 | 56% | 0.557 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.1 | -35.6 | 175.1 | -70.5 | 176.5 | -165.5 | 110.5 | 0 | 111.7 | L306 A307 Y308 K313 A314 | L306-K310 VanDerWaalsContact O-CD 3.24Å; L306-K310 WeakPolarHBondContact O-CD 3.47Å; L306-K310 WeakPolarHBondContact O-CE 3.48Å; L306-K310 WeakPolarHBondContact O-CG 3.47Å; L306-K310 PolarHBondContact O-NZ 3.47Å; A307-K310 PolarHBondContact O-N 3.32Å; Y308-K310 VanDerWaalsContact C-N 3.33Å; Y308-K310 PolarHBondContact O-N 3.4Å; K310-K313 PolarHBondContact O-N 2.86Å; K310-A314 WeakPolarHBondContact O-CB 3.45Å; K310-A314 PolarHBondContact O-N 2.91Å |
| 311 | H | 76.2 | Confident | 74.5 | Confident | 58 Ų | 58 | 79.4 Ų | 79.4 | 27% | 0.269 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.5 | -48.6 | 175.5 | -172.6 | 78.7 | 0 | 0 | 0 | 111.3 | A307 Y308 K313 A314 V315 | A307-H311 WeakPolarHBondContact O-CB 3.38Å; A307-H311 PolarHBondContact O-N 3.37Å; Y308-H311 WeakPolarHBondContact O-CB 3.44Å; Y308-H311 PolarHBondContact O-N 3Å; Y308-H311 VanDerWaalsContact O-N 3.11Å; H311-K313 VanDerWaalsContact C-N 3.29Å; H311-K313 PolarHBondContact O-N 3.23Å; H311-A314 WeakPolarHBondContact O-CB 3.43Å; H311-A314 PolarHBondContact O-N 3.09Å; H311-V315 WeakPolarHBondContact NE2-CG2 3.35Å; H311-V315 WeakPolarHBondContact O-CG2 3.43Å; H311-V315 PolarHBondContact O-N 2.82Å |
| 312 | Q | 83.8 | Confident | 74.6 | Confident | 102 Ų | 102 | 77.5 Ų | 77.5 | 48% | 0.477 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -54.1 | -44.8 | 173.1 | -73.7 | -167.8 | -15.7 | 0 | 0 | 111.9 | Y308 A314 V315 A316 | Y308-Q312 HydrophobicContact CD1-CG 4.41Å; Y308-Q312 HydrophobicContact CE1-CG 4.04Å; Y308-Q312 PolarHBondContact O-N 2.95Å; Y308-Q312 PolarHBondContact OH-NE2 3.03Å; Y308-Q312 VanDerWaalsContact OH-NE2 3.13Å; Q312-A314 PolarHBondContact O-N 3.46Å; Q312-V315 PolarHBondContact O-N 2.92Å; Q312-A316 WeakPolarHBondContact O-CB 3.35Å; Q312-A316 PolarHBondContact O-N 3.42Å |
| 313 | K | 80.1 | Confident | 74.2 | Confident | 126 Ų | 126 | 77 Ų | 77 | 55% | 0.548 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.7 | -36.4 | 176.7 | -73.9 | 171.8 | 176.5 | 178 | 0 | 112.9 | E309 K310 H311 V317 | E309-K313 WeakPolarHBondContact O-CG 3.44Å; E309-K313 PolarHBondContact O-N 3.37Å; E309-K313 VanDerWaalsContact O-N 3.1Å; E309-K313 WeakPolarHBondContact OE1-CE 3.48Å; E309-K313 IonicContact OE1-NZ 2.67Å; E309-K313 PolarHBondContact OE1-NZ 3.17Å; K310-K313 PolarHBondContact O-N 2.86Å; H311-K313 VanDerWaalsContact C-N 3.29Å; H311-K313 PolarHBondContact O-N 3.23Å; K313-V317 WeakPolarHBondContact O-CG2 3.09Å; K313-V317 PolarHBondContact O-N 3.28Å |
| 314 | A | 73.4 | Confident | 73.9 | Confident | 58 Ų | 58 | 76.8 Ų | 76.8 | 48% | 0.479 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K310 H311 Q312 A316 V317 A318 | K310-A314 WeakPolarHBondContact O-CB 3.45Å; K310-A314 PolarHBondContact O-N 2.91Å; H311-A314 WeakPolarHBondContact O-CB 3.43Å; H311-A314 PolarHBondContact O-N 3.09Å; Q312-A314 PolarHBondContact O-N 3.46Å; A314-A316 PolarHBondContact O-N 3.38Å; A314-V317 PolarHBondContact O-N 3.46Å; A314-A318 PolarHBondContact O-N 3.14Å |
| 315 | V | 79.3 | Confident | 73.2 | Confident | 33 Ų | 33 | 78.4 Ų | 78.4 | 20% | 0.2 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 111 | W123 H311 Q312 V317 A318 A319 | W123-V315 HydrophobicContact CH2-CG1 4.17Å; W123-V315 HydrophobicContact CH2-CG2 4.26Å; W123-V315 HydrophobicContact CZ2-CG1 4.42Å; H311-V315 WeakPolarHBondContact NE2-CG2 3.35Å; H311-V315 WeakPolarHBondContact O-CG2 3.43Å; H311-V315 PolarHBondContact O-N 2.82Å; Q312-V315 PolarHBondContact O-N 2.92Å; V315-V317 VanDerWaalsContact C-N 3.35Å; V315-V317 PolarHBondContact O-N 2.96Å; V315-A318 PolarHBondContact O-N 3.23Å; V315-A319 WeakPolarHBondContact O-CB 3.36Å; V315-A319 PolarHBondContact O-N 2.87Å |
| 316 | A | 73.8 | Confident | 72.5 | Confident | 60 Ų | 60 | 74.6 Ų | 74.6 | 50% | 0.496 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q312 A314 A320 | Q312-A316 WeakPolarHBondContact O-CB 3.35Å; Q312-A316 PolarHBondContact O-N 3.42Å; A314-A316 PolarHBondContact O-N 3.38Å; A316-A320 WeakPolarHBondContact O-CB 3.43Å; A316-A320 PolarHBondContact O-N 3.49Å |
| 317 | V | 73.1 | Confident | 71.1 | Confident | 106 Ų | 106 | 74.4 Ų | 74.4 | 64% | 0.642 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.6 | -39.3 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | K313 A314 V315 A320 A321 | K313-V317 WeakPolarHBondContact O-CG2 3.09Å; K313-V317 PolarHBondContact O-N 3.28Å; A314-V317 PolarHBondContact O-N 3.46Å; V315-V317 VanDerWaalsContact C-N 3.35Å; V315-V317 PolarHBondContact O-N 2.96Å; V317-A320 PolarHBondContact O-N 3.03Å; V317-A321 WeakPolarHBondContact O-CB 3.41Å; V317-A321 PolarHBondContact O-N 2.96Å |
| 318 | A | 73.3 | Confident | 69.9 | Low | 61 Ų | 61 | 78.4 Ų | 78.4 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A314 V315 A321 A322 | A314-A318 PolarHBondContact O-N 3.14Å; V315-A318 PolarHBondContact O-N 3.23Å; A318-A321 PolarHBondContact O-N 2.86Å; A318-A322 WeakPolarHBondContact O-CB 3.28Å; A318-A322 PolarHBondContact O-N 2.83Å |
| 319 | A | 71.5 | Confident | 68.4 | Low | 59 Ų | 59 | 79 Ų | 79 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | V315 A321 A322 A323 | V315-A319 WeakPolarHBondContact O-CB 3.36Å; V315-A319 PolarHBondContact O-N 2.87Å; A319-A321 VanDerWaalsContact C-N 3.35Å; A319-A321 PolarHBondContact O-N 2.9Å; A319-A322 PolarHBondContact O-N 3.31Å; A319-A323 VanDerWaalsContact O-CB 3.32Å; A319-A323 WeakPolarHBondContact O-CB 3.48Å; A319-A323 PolarHBondContact O-N 3.26Å |
| 320 | A | 68 | Low | 66.6 | Low | 61 Ų | 61 | 78.6 Ų | 78.6 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A316 V317 A324 | A316-A320 WeakPolarHBondContact O-CB 3.43Å; A316-A320 PolarHBondContact O-N 3.49Å; V317-A320 PolarHBondContact O-N 3.03Å; A320-A324 WeakPolarHBondContact O-CB 3.47Å; A320-A324 PolarHBondContact O-N 3.25Å |
| 321 | A | 64.5 | Low | 64.6 | Low | 55 Ų | 55 | 77.7 Ų | 77.7 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | V317 A318 A319 A324 V325 | V317-A321 WeakPolarHBondContact O-CB 3.41Å; V317-A321 PolarHBondContact O-N 2.96Å; A318-A321 PolarHBondContact O-N 2.86Å; A319-A321 VanDerWaalsContact C-N 3.35Å; A319-A321 PolarHBondContact O-N 2.9Å; A321-A324 PolarHBondContact O-N 2.87Å; A321-V325 WeakPolarHBondContact O-CG2 3.41Å; A321-V325 PolarHBondContact O-N 3.34Å |
| 322 | A | 66.3 | Low | 62.3 | Low | 62 Ų | 62 | 80.2 Ų | 80.2 | 51% | 0.512 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.4 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A318 A319 A324 V325 A326 | A318-A322 WeakPolarHBondContact O-CB 3.28Å; A318-A322 PolarHBondContact O-N 2.83Å; A319-A322 PolarHBondContact O-N 3.31Å; A322-A324 VanDerWaalsContact C-N 3.34Å; A322-A324 PolarHBondContact O-N 3.06Å; A322-V325 PolarHBondContact O-N 3.11Å; A322-A326 PolarHBondContact O-N 3.47Å |
| 323 | A | 65.6 | Low | 60 | Low | 59 Ų | 59 | 81 Ų | 81 | 49% | 0.488 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62 | -38.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A319 A326 A327 | A319-A323 VanDerWaalsContact O-CB 3.32Å; A319-A323 WeakPolarHBondContact O-CB 3.48Å; A319-A323 PolarHBondContact O-N 3.26Å; A323-A326 PolarHBondContact O-N 2.58Å; A323-A327 VanDerWaalsContact O-CB 3.24Å; A323-A327 WeakPolarHBondContact O-CB 3.48Å; A323-A327 PolarHBondContact O-N 2.94Å |
| 324 | A | 62.5 | Low | 58 | Low | 55 Ų | 55 | 81.3 Ų | 81.3 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.6 | -30.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A320 A321 A322 N328 | A320-A324 WeakPolarHBondContact O-CB 3.47Å; A320-A324 PolarHBondContact O-N 3.25Å; A321-A324 PolarHBondContact O-N 2.87Å; A322-A324 VanDerWaalsContact C-N 3.34Å; A322-A324 PolarHBondContact O-N 3.06Å; A324-N328 PolarHBondContact O-N 2.93Å; A324-N328 PolarHBondContact O-ND2 3.49Å |
| 325 | V | 58.1 | Low | 56.1 | Low | 93 Ų | 93 | 82.6 Ų | 82.6 | 56% | 0.564 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.7 | -45.8 | 171.8 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | A321 A322 A327 N328 N329 | A321-V325 WeakPolarHBondContact O-CG2 3.41Å; A321-V325 PolarHBondContact O-N 3.34Å; A322-V325 PolarHBondContact O-N 3.11Å; V325-A327 PolarHBondContact O-N 3.38Å; V325-N328 PolarHBondContact O-N 3.41Å; V325-N329 PolarHBondContact O-N 2.82Å |
| 326 | A | 57.5 | Low | 53.9 | Low | 61 Ų | 61 | 88.9 Ų | 88.9 | 50% | 0.504 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -60.2 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A322 A323 N328 N329 G330 | A322-A326 PolarHBondContact O-N 3.47Å; A323-A326 PolarHBondContact O-N 2.58Å; A326-N328 VanDerWaalsContact C-N 3.26Å; A326-N328 PolarHBondContact O-N 3.21Å; A326-N329 PolarHBondContact O-N 3.15Å; A326-G330 PolarHBondContact O-N 2.88Å |
| 327 | A | 51.1 | Low | 52 | Low | 72 Ų | 72 | 94.1 Ų | 94.1 | 60% | 0.595 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.8 | -26.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | A323 V325 | A323-A327 VanDerWaalsContact O-CB 3.24Å; A323-A327 WeakPolarHBondContact O-CB 3.48Å; A323-A327 PolarHBondContact O-N 2.94Å; V325-A327 PolarHBondContact O-N 3.38Å |
| 328 | N | 50.4 | Low | 50 | Low | 141 Ų | 141 | 97.4 Ų | 97.4 | 75% | 0.754 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -81.4 | -20.5 | 173.9 | -83.9 | -28.8 | 0 | 0 | 0 | 113.4 | A324 V325 A326 | A324-N328 PolarHBondContact O-N 2.93Å; A324-N328 PolarHBondContact O-ND2 3.49Å; V325-N328 PolarHBondContact O-N 3.41Å; A326-N328 VanDerWaalsContact C-N 3.26Å; A326-N328 PolarHBondContact O-N 3.21Å |
| 329 | N | 50.7 | Low | 48.2 | Very low | 129 Ų | 129 | 99.4 Ų | 99.4 | 69% | 0.69 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -102.5 | -17.1 | -177.8 | -68.8 | 0.5 | 0 | 0 | 0 | 113.4 | V325 A326 S331 | V325-N329 PolarHBondContact O-N 2.82Å; A326-N329 PolarHBondContact O-N 3.15Å; N329-S331 PolarHBondContact O-N 3.12Å |
| 330 | G | 42 | Very low | 46.6 | Very low | 71 Ų | 71 | 102.2 Ų | 102.2 | 73% | 0.732 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -93.1 | 21.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | A326 | A326-G330 PolarHBondContact O-N 2.88Š|
| 331 | S | 35.7 | Very low | 44.9 | Very low | 109 Ų | 109 | 106.2 Ų | 106.2 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | | | trans | -139.2 | 53.5 | -168.9 | -175.1 | 0 | 0 | 0 | 0 | 114.9 | N329 | N329-S331 PolarHBondContact O-N 3.12Š|
| 332 | C | 27.1 | Very low | 43.4 | Very low | 112 Ų | 112 | 111 Ų | 111 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | | | trans | -147.1 | 88.9 | 170 | 55.9 | 0 | 0 | 0 | 0 | 113 | | |
| 333 | S | 35.4 | Very low | 41.7 | Very low | 117 Ų | 117 | 114.3 Ų | 114.3 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | | | trans | -155.2 | 141.1 | 166.5 | -79.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 334 | S | 37.7 | Very low | 40.2 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 94% | 0.937 | 74% | 0.742 | S | S | * | * | | | trans | 68.7 | 130.4 | 171.3 | -55.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 335 | G | 35 | Very low | 38.7 | Very low | 84 Ų | 84 | 124.4 Ų | 124.4 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | | | trans | 120.2 | 65.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 336 | N | 31.4 | Very low | 37.5 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | | | trans | -90.4 | 133.9 | 167.1 | -128.7 | 1.5 | 0 | 0 | 0 | 110 | | |
| 337 | I | 34.4 | Very low | 36.3 | Very low | 171 Ų | 171 | 134 Ų | 134 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | trans | -171.3 | 146.8 | 147 | -98.9 | 151.2 | 0 | 0 | 0 | 111.1 | | |
| 338 | H | 32.2 | Very low | 35.2 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | trans | -33.5 | 130.8 | -171.5 | -90.3 | 79.6 | 0 | 0 | 0 | 121.7 | | |
| 339 | S | 34.5 | Very low | 34.5 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | | | | 4.6 | 155.8 | 117 | -61.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 340 | P | 39.2 | Very low | 33.6 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | | | cis | -139.1 | 141.5 | 27.8 | 38.1 | -18.5 | 0 | 0 | 0 | 119.2 | | |
| 341 | M | 30.6 | Very low | 33.2 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | | | | 26.6 | 119.2 | 125.5 | -177.4 | 172.1 | 174.3 | 0 | 0 | 119.7 | Q343 | M341-Q343 HydrophobicContact CE-CG 4.46Š|
| 342 | N | 34.9 | Very low | 33.2 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | | -147.1 | 156.8 | 119.5 | -133.9 | -25.8 | 0 | 0 | 0 | 112.8 | | |
| 343 | Q | 30.6 | Very low | 33.6 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 62% | 0.621 | 80% | 0.8 | S | S | * | * | | | trans | -105 | 154 | -173 | -57.8 | 173.4 | -0.6 | 0 | 0 | 111.1 | M341 | M341-Q343 HydrophobicContact CE-CG 4.46Š|
| 344 | Y | 32.7 | Very low | 33.6 | Very low | 237 Ų | 237 | 144.4 Ų | 144.4 | 93% | 0.929 | 80% | 0.797 | S | S | * | * | | | trans | -151.4 | 136.9 | 137.1 | -103.2 | -68.7 | 0 | 0 | 0 | 111.3 | | |
| 345 | S | 30.7 | Very low | 33.4 | Very low | 88 Ų | 88 | 145.7 Ų | 145.7 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | | | trans | -81.2 | 154.4 | -176.5 | -47.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 346 | F | 33.2 | Very low | 33.3 | Very low | 213 Ų | 213 | 148.9 Ų | 148.9 | 93% | 0.934 | 79% | 0.79 | S | S | * | * | | | trans | -141.8 | 137.3 | 145.4 | -93.1 | -68.9 | 0 | 0 | 0 | 112.2 | | |
| 347 | N | 33 | Very low | 33.5 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | trans | -77.8 | 151 | 177.9 | -81.6 | -17.3 | 0 | 0 | 0 | 111.7 | H349 | N347-H349 PolarHBondContact O-N 3.22Š|
| 348 | T | 28.2 | Very low | 33.6 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | -75.5 | 112 | 165.9 | 51 | 0 | 0 | 0 | 0 | 110.5 | | |
| 349 | H | 35.4 | Very low | 33.7 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | | | trans | -134.8 | 142.1 | 160.6 | -86.9 | -66.8 | 0 | 0 | 0 | 112.7 | N347 | N347-H349 PolarHBondContact O-N 3.22Š|
| 350 | S | 32.1 | Very low | 33.7 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | trans | -35.1 | 135.1 | 177.9 | -44.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 351 | F | 33.5 | Very low | 33.8 | Very low | 215 Ų | 215 | 146.6 Ų | 146.6 | 94% | 0.943 | 75% | 0.754 | S | S | * | * | | | trans | -126.8 | 133 | 144.9 | -83.6 | -78 | 0 | 0 | 0 | 109.8 | | |
| 352 | N | 35.6 | Very low | 34.3 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | | | trans | -147.1 | 143 | -176.9 | -169 | 14.3 | 0 | 0 | 0 | 108.4 | | |
| 353 | S | 34.6 | Very low | 34.4 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | | | trans | 60.8 | 135.9 | 168.5 | 49.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 354 | S | 35.1 | Very low | 35.1 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | trans | 70.6 | 126.5 | 157.7 | -53.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 355 | L | 33.8 | Very low | 35.8 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | | | cis | 86.9 | 147.1 | 40.2 | -72.7 | 168.9 | 0 | 0 | 0 | 114.7 | | |
| 356 | N | 34.4 | Very low | 36.3 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | | | trans | 72.8 | 140 | -164.5 | -64.4 | -15.4 | 0 | 0 | 0 | 114.1 | | |
| 357 | S | 35 | Very low | 36.6 | Very low | 84 Ų | 84 | 139.7 Ų | 139.7 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | | | cis | -168.5 | 139.6 | -6.8 | -113.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 358 | Q | 37.2 | Very low | 37 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | | | trans | 63.6 | 163.9 | 148.6 | -47.1 | -69.7 | -5.7 | 0 | 0 | 116.6 | | |
| 359 | L | 32.3 | Very low | 37.7 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 56% | 0.56 | 73% | 0.733 | S | S | * | * | | | cis | -159.6 | 176.1 | -11.7 | -126.7 | 168.8 | 0 | 0 | 0 | 111 | | |
| 360 | Y | 36.4 | Very low | 38 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 71% | 0.71 | 73% | 0.732 | S | S | * | * | | | trans | 67.8 | 118.3 | 170.3 | -61.4 | -66 | 0 | 0 | 0 | 116.2 | | |
| 361 | H | 41.3 | Very low | 38.3 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | | | | 79 | 144.4 | 65.2 | -76.2 | 7 | 0 | 0 | 0 | 113 | | |
| 362 | H | 40 | Very low | 38.6 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 58% | 0.579 | 72% | 0.717 | S | S | * | * | | | cis | -157.1 | 152.5 | 23.4 | -138.3 | 30.3 | 0 | 0 | 0 | 112.2 | | |
| 363 | Q | 37.6 | Very low | 38.8 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | | | trans | 54 | 164.9 | 140.6 | -71.5 | 179.8 | -7.4 | 0 | 0 | 122.2 | | |
| 364 | H | 45.6 | Very low | 39 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | | | cis | -159.3 | -179.3 | -47.6 | -113.2 | -22.4 | 0 | 0 | 0 | 109.4 | | |
| 365 | P | 45.6 | Very low | 38.9 | Very low | 90 Ų | 90 | 143 Ų | 143 | 58% | 0.584 | 72% | 0.719 | S | S | * | * | | | trans | -118.8 | -143.3 | -143.1 | 46.5 | -34.9 | 0 | 0 | 0 | 115.6 | | |
| 366 | H | 41.9 | Very low | 39.1 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 83% | 0.833 | 72% | 0.716 | S | S | * | * | | | trans | 82.5 | 147.4 | -177.5 | -45.9 | -77.6 | 0 | 0 | 0 | 114 | | |
| 367 | S | 39.9 | Very low | 39.2 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | | | cis | -148.7 | 151.8 | 15.4 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 368 | L | 40.5 | Very low | 39.1 | Very low | 159 Ų | 159 | 145 Ų | 145 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | | | trans | -78.8 | 177.3 | 152.7 | -97.2 | 77.4 | 0 | 0 | 0 | 108.3 | | |
| 369 | P | 43 | Very low | 38.9 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 71% | 0.714 | 72% | 0.716 | S | S | * | * | | | cis | -157.1 | -164.3 | 35.6 | 29.7 | 0.7 | 0 | 0 | 0 | 118 | | |
| 370 | Q | 42.5 | Very low | 39.2 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | | | trans | 95.6 | 118 | 145.1 | -61 | -135.4 | -1 | 0 | 0 | 123.1 | | |
| 371 | H | 37.3 | Very low | 39 | Very low | 138 Ų | 138 | 144 Ų | 144 | 64% | 0.639 | 73% | 0.728 | S | S | * | * | | | trans | 62.2 | 160.8 | 135 | -73.6 | -89.7 | 0 | 0 | 0 | 119.8 | | |
| 372 | H | 40.6 | Very low | 38.8 | Very low | 154 Ų | 154 | 144 Ų | 144 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | | | cis | -141.2 | -174 | 13.9 | -150.3 | 75.7 | 0 | 0 | 0 | 113.4 | | |
| 373 | H | 39.4 | Very low | 38.4 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | trans | -58.1 | 168.7 | 176.3 | -65.2 | -69.8 | 0 | 0 | 0 | 113.3 | | |
| 374 | Q | 38.7 | Very low | 38.3 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | | -169.1 | 149.8 | 53.7 | -179.1 | 167.1 | -12.8 | 0 | 0 | 115.1 | | |
| 375 | L | 33.9 | Very low | 37.8 | Very low | 155 Ų | 155 | 136 Ų | 136 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | | | trans | -81.6 | 145.5 | 169.8 | -69.4 | 132.5 | 0 | 0 | 0 | 111.3 | | |
| 376 | Q | 37.5 | Very low | 37.1 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | | | trans | 178.9 | 140.6 | 137.5 | -98.3 | 159.5 | 28.1 | 0 | 0 | 109.9 | | |
| 377 | H | 36.8 | Very low | 36.7 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | | 70.1 | 132.9 | 81 | -143 | -104.9 | 0 | 0 | 0 | 110.9 | | |
| 378 | L | 33.6 | Very low | 36.4 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 61% | 0.613 | 76% | 0.76 | S | S | * | * | | | cis | -169.4 | 179.5 | -8.6 | -158.9 | 72.4 | 0 | 0 | 0 | 107.4 | | |
| 379 | Q | 32.9 | Very low | 36.1 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | 65.9 | 159.6 | 163 | -65.7 | 144.7 | -57.9 | 0 | 0 | 116.2 | | |
| 380 | G | 37.4 | Very low | 35.6 | Very low | 63 Ų | 63 | 135.6 Ų | 135.6 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | | | cis | 177.7 | 153.3 | -11.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 381 | Q | 33.6 | Very low | 35.2 | Very low | 189 Ų | 189 | 131 Ų | 131 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | | | trans | 31.9 | 116.3 | 146.5 | -58.9 | 175 | -4.6 | 0 | 0 | 120.5 | | |
| 382 | T | 36.1 | Very low | 35 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 91% | 0.908 | 76% | 0.761 | S | S | * | * | | | | 179.1 | 134.8 | 115 | 26.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 383 | G | 32.9 | Very low | 34.6 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | | | | 97.4 | 141.5 | 88.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 384 | C | 33.7 | Very low | 34.4 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 89% | 0.885 | 76% | 0.757 | S | S | * | * | | | cis | -167.6 | 159.6 | -1.2 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 385 | G | 36.4 | Very low | 34.1 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | trans | 77.1 | 110.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 386 | N | 29.8 | Very low | 34.3 | Very low | 162 Ų | 162 | 123.5 Ų | 123.5 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | | | cis | 80.1 | 138.4 | 14.9 | -141.6 | 32.2 | 0 | 0 | 0 | 116.4 | | |
| 387 | S | 33.6 | Very low | 34.2 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | 91.6 | 114.1 | 180 | -37.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 388 | S | 34.1 | Very low | 34.2 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | | 104.7 | 152.6 | 70.5 | -75.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 389 | H | 35.1 | Very low | 34.7 | Very low | 165 Ų | 165 | 120.2 Ų | 120.2 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | cis | -150.4 | 147.4 | -5.4 | -122.2 | 36.1 | 0 | 0 | 0 | 106.7 | | |
| 390 | S | 32.7 | Very low | 34.7 | Very low | 109 Ų | 109 | 115.8 Ų | 115.8 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | | 55.9 | 124.7 | 89.4 | -162.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 391 | G | 32.6 | Very low | 34.5 | Very low | 59 Ų | 59 | 116.2 Ų | 116.2 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | | | trans | 135.3 | 113.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 392 | N | 33.5 | Very low | 34.7 | Very low | 150 Ų | 150 | 115.3 Ų | 115.3 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | | 74 | 134.3 | 66.8 | -71.6 | 11.3 | 0 | 0 | 0 | 112.4 | | |
| 393 | T | 33.3 | Very low | 34.7 | Very low | 101 Ų | 101 | 111.4 Ų | 111.4 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | | | cis | -167.3 | 149.7 | -5.2 | 13.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 394 | N | 33.9 | Very low | 34.9 | Very low | 130 Ų | 130 | 116 Ų | 116 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | trans | 59.8 | 161.8 | 149.2 | -53.2 | -2 | 0 | 0 | 0 | 120.1 | | |
| 395 | D | 33.2 | Very low | 35 | Very low | 138 Ų | 138 | 113 Ų | 113 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | 61.4 | 138.9 | 143.8 | -73 | -44.2 | 0 | 0 | 0 | 120.7 | | |
| 396 | S | 37.9 | Very low | 34.9 | Very low | 82 Ų | 82 | 115.5 Ų | 115.5 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | | | cis | -165 | 175 | -11.3 | -128.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 397 | I | 35.9 | Very low | 35.3 | Very low | 164 Ų | 164 | 113.7 Ų | 113.7 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | | | trans | 37.7 | 113.9 | 149.5 | -55.5 | 158.5 | 0 | 0 | 0 | 115.9 | | |
| 398 | G | 36.1 | Very low | 35.6 | Very low | 69 Ų | 69 | 112.3 Ų | 112.3 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | | | | 160.7 | -170.8 | 51.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 399 | P | 44.5 | Very low | 35.8 | Very low | 137 Ų | 137 | 113.9 Ų | 113.9 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | | | trans | -123.6 | 169.7 | -143.6 | 41.9 | -32.1 | 0 | 0 | 0 | 116.9 | | |
| 400 | G | 32.2 | Very low | 36 | Very low | 84 Ų | 84 | 109.8 Ų | 109.8 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | | | trans | 116.3 | 137.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 401 | G | 34.1 | Very low | 36.2 | Very low | 72 Ų | 72 | 107.1 Ų | 107.1 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | | | cis | 178.9 | -177.5 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 402 | N | 37.5 | Very low | 36.5 | Very low | 169 Ų | 169 | 107.6 Ų | 107.6 | 90% | 0.904 | 73% | 0.729 | S | S | * | * | | | trans | -9.4 | 139.6 | 169.8 | -51.4 | -14.3 | 0 | 0 | 0 | 118.4 | | |
| 403 | G | 36.6 | Very low | 36.7 | Very low | 67 Ų | 67 | 103.5 Ų | 103.5 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | | | cis | 149.8 | -164.6 | 2.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 404 | N | 37.3 | Very low | 37.2 | Very low | 171 Ų | 171 | 101.8 Ų | 101.8 | 91% | 0.914 | 71% | 0.712 | S | S | * | * | | | trans | 59.9 | 104.7 | 162.9 | -54.7 | -11.6 | 0 | 0 | 0 | 117.4 | | |
| 405 | G | 35.1 | Very low | 37.5 | Very low | 67 Ų | 67 | 98.5 Ų | 98.5 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | | | trans | -159.8 | 26.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V407 | G405-V407 WeakPolarHBondContact O-CG2 3.44Å; G405-V407 PolarHBondContact O-N 3.48Å; G405-V407 VanDerWaalsContact O-N 3.12Å |
| 406 | S | 33.8 | Very low | 37.8 | Very low | 125 Ų | 125 | 94.7 Ų | 94.7 | 87% | 0.874 | 69% | 0.69 | S | S | * | * | | | trans | -73.4 | 98.4 | -178.8 | 53.1 | 0 | 0 | 0 | 0 | 112 | | |
| 407 | V | 39.3 | Very low | 38.2 | Very low | 125 Ų | 125 | 96 Ų | 96 | 76% | 0.758 | 69% | 0.694 | S | S | * | * | | | trans | -125.4 | 102.7 | 175.2 | -113.9 | 0 | 0 | 0 | 0 | 112.9 | G405 | G405-V407 WeakPolarHBondContact O-CG2 3.44Å; G405-V407 PolarHBondContact O-N 3.48Å; G405-V407 VanDerWaalsContact O-N 3.12Å |
| 408 | S | 40 | Very low | 38.5 | Very low | 72 Ų | 72 | 91.3 Ų | 91.3 | 50% | 0.503 | 68% | 0.68 | S | S | . | * | | | trans | 53.1 | 63.2 | 139.3 | 64.2 | 0 | 0 | 0 | 0 | 119.7 | A410 A411 | S408-A410 PolarHBondContact O-N 3.23Å; S408-A411 WeakPolarHBondContact O-CB 3.42Å; S408-A411 PolarHBondContact O-N 3.26Å |
| 409 | V | 36.4 | Very low | 38.9 | Very low | 135 Ų | 135 | 95 Ų | 95 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -53.8 | -29.5 | 149.7 | 177 | 0 | 0 | 0 | 0 | 110.7 | A411 A412 | V409-A411 PolarHBondContact O-N 2.93Å; V409-A412 PolarHBondContact O-N 3.33Å |
| 410 | A | 39.8 | Very low | 38.7 | Very low | 79 Ų | 79 | 96.4 Ų | 96.4 | 65% | 0.653 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -58 | -25.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S408 A414 | S408-A410 PolarHBondContact O-N 3.23Å; A410-A414 PolarHBondContact O-N 2.86Å |
| 411 | A | 38.1 | Very low | 39.1 | Very low | 53 Ų | 53 | 97 Ų | 97 | 44% | 0.438 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -75.2 | -33.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S408 V409 A413 A414 A415 | S408-A411 WeakPolarHBondContact O-CB 3.42Å; S408-A411 PolarHBondContact O-N 3.26Å; V409-A411 PolarHBondContact O-N 2.93Å; A411-A413 VanDerWaalsContact C-N 3.3Å; A411-A413 PolarHBondContact O-N 2.99Å; A411-A414 PolarHBondContact O-N 3.11Å; A411-A415 PolarHBondContact O-N 3.38Å |
| 412 | A | 37.5 | Very low | 39.4 | Very low | 70 Ų | 70 | 99.2 Ų | 99.2 | 58% | 0.579 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -65 | -35.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V409 A416 | V409-A412 PolarHBondContact O-N 3.33Å; A412-A416 PolarHBondContact O-N 3.25Å |
| 413 | A | 39.4 | Very low | 39.6 | Very low | 64 Ų | 64 | 98.9 Ų | 98.9 | 53% | 0.529 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -65.6 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A411 V417 | A411-A413 VanDerWaalsContact C-N 3.3Å; A411-A413 PolarHBondContact O-N 2.99Å; A413-V417 PolarHBondContact O-N 3.29Å |
| 414 | A | 41.9 | Very low | 40 | Very low | 65 Ų | 65 | 103 Ų | 103 | 54% | 0.537 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -67.5 | -42.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A410 A411 A416 V417 A418 | A410-A414 PolarHBondContact O-N 2.86Å; A411-A414 PolarHBondContact O-N 3.11Å; A414-A416 VanDerWaalsContact C-N 3.31Å; A414-A416 PolarHBondContact O-N 2.88Å; A414-V417 PolarHBondContact O-N 3.1Å; A414-A418 PolarHBondContact O-N 3.43Å |
| 415 | A | 41.1 | Very low | 40.2 | Very low | 61 Ų | 61 | 99.1 Ų | 99.1 | 50% | 0.504 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.3 | -34.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | A411 A418 M419 | A411-A415 PolarHBondContact O-N 3.38Å; A415-A418 PolarHBondContact O-N 2.93Å; A415-M419 PolarHBondContact O-N 3.46Å |
| 416 | A | 40.2 | Very low | 40.3 | Very low | 58 Ų | 58 | 100 Ų | 100 | 48% | 0.479 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.9 | -37 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A412 A414 H420 | A412-A416 PolarHBondContact O-N 3.25Å; A414-A416 VanDerWaalsContact C-N 3.31Å; A414-A416 PolarHBondContact O-N 2.88Å; A416-H420 PolarHBondContact O-N 3.4Å |
| 417 | V | 44.9 | Very low | 40.5 | Very low | 109 Ų | 109 | 98.6 Ų | 98.6 | 66% | 0.661 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.5 | -39.7 | 178.4 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | A413 A414 M419 H420 | A413-V417 PolarHBondContact O-N 3.29Å; A414-V417 PolarHBondContact O-N 3.1Å; V417-M419 PolarHBondContact O-N 3.31Å; V417-H420 PolarHBondContact O-N 2.88Å |
| 418 | A | 43.9 | Very low | 40.5 | Very low | 65 Ų | 65 | 98.8 Ų | 98.8 | 54% | 0.537 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -61.3 | -43.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A414 A415 H420 S421 | A414-A418 PolarHBondContact O-N 3.43Å; A415-A418 PolarHBondContact O-N 2.93Å; A418-H420 VanDerWaalsContact C-N 3.34Å; A418-H420 PolarHBondContact O-N 2.58Å; A418-S421 PolarHBondContact O-N 3.25Å |
| 419 | M | 44.3 | Very low | 40.3 | Very low | 146 Ų | 146 | 99.9 Ų | 99.9 | 72% | 0.719 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.2 | -28.7 | 179.8 | -69 | -71.1 | -81.3 | 0 | 0 | 113.1 | A415 V417 S421 | A415-M419 PolarHBondContact O-N 3.46Å; V417-M419 PolarHBondContact O-N 3.31Å; M419-S421 VanDerWaalsContact C-N 3.26Å; M419-S421 PolarHBondContact O-N 3.1Å |
| 420 | H | 40 | Very low | 40.6 | Very low | 167 Ų | 167 | 98.4 Ų | 98.4 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.1 | -13.7 | -178.3 | -142.5 | -87.9 | 0 | 0 | 0 | 113.6 | A416 V417 A418 | A416-H420 PolarHBondContact O-N 3.4Å; V417-H420 PolarHBondContact O-N 2.88Å; A418-H420 VanDerWaalsContact C-N 3.34Å; A418-H420 PolarHBondContact O-N 2.58Å |
| 421 | S | 39.5 | Very low | 40.2 | Very low | 96 Ų | 96 | 97.8 Ų | 97.8 | 67% | 0.671 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -8.2 | -177.7 | -159 | 0 | 0 | 0 | 0 | 114.8 | A418 M419 | A418-S421 PolarHBondContact O-N 3.25Å; M419-S421 VanDerWaalsContact C-N 3.26Å; M419-S421 PolarHBondContact O-N 3.1Å |
| 422 | L | 42 | Very low | 40.4 | Very low | 119 Ų | 119 | 103.5 Ų | 103.5 | 62% | 0.623 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -17 | -177.1 | -76.2 | 164.3 | 0 | 0 | 0 | 114.1 | N424 V425 | L422-N424 PolarHBondContact O-N 3.36Å; L422-V425 PolarHBondContact O-N 2.88Å |
| 423 | H | 41.7 | Very low | 40.8 | Very low | 162 Ų | 162 | 106.5 Ų | 106.5 | 75% | 0.75 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -6.5 | -172.9 | -124.3 | -85.1 | 0 | 0 | 0 | 115.4 | | |
| 424 | N | 44.7 | Very low | 40.5 | Very low | 153 Ų | 153 | 106.9 Ų | 106.9 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -7.3 | 168.7 | -78.4 | -12.1 | 0 | 0 | 0 | 113.5 | L422 | L422-N424 PolarHBondContact O-N 3.36Š|
| 425 | V | 41.9 | Very low | 40.3 | Very low | 91 Ų | 91 | 112.9 Ų | 112.9 | 55% | 0.552 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -23.3 | -176.3 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | L422 A427 V428 | L422-V425 PolarHBondContact O-N 2.88Å; V425-A427 PolarHBondContact O-N 3.44Å; V425-V428 PolarHBondContact O-N 3.28Å |
| 426 | A | 36.8 | Very low | 40 | Very low | 84 Ų | 84 | 115.7 Ų | 115.7 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -2.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 427 | A | 38.1 | Very low | 40.1 | Very low | 96 Ų | 96 | 120.7 Ų | 120.7 | 79% | 0.793 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -2.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V425 | V425-A427 PolarHBondContact O-N 3.44Š|
| 428 | V | 38.9 | Very low | 39.7 | Very low | 129 Ų | 129 | 118.8 Ų | 118.8 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -114.6 | -11.1 | -167 | -172.7 | 0 | 0 | 0 | 0 | 113.7 | V425 | V425-V428 PolarHBondContact O-N 3.28Š|
| 429 | A | 35.7 | Very low | 39.7 | Very low | 96 Ų | 96 | 121.8 Ų | 121.8 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | | | trans | -117.5 | 65.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 430 | A | 42.3 | Very low | 39.2 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | | | trans | -144.9 | 31.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H432 | A430-H432 PolarHBondContact O-N 2.98Š|
| 431 | G | 32.4 | Very low | 39.4 | Very low | 67 Ų | 67 | 120.3 Ų | 120.3 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | trans | -90.5 | 31.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 432 | H | 42.4 | Very low | 39.4 | Very low | 173 Ų | 173 | 121.9 Ų | 121.9 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | | | trans | -129.8 | 107.9 | -171.8 | -67.9 | -66.3 | 0 | 0 | 0 | 116.2 | A430 | A430-H432 PolarHBondContact O-N 2.98Š|
| 433 | T | 45.2 | Very low | 39.5 | Very low | 133 Ų | 133 | 123 Ų | 123 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | trans | 54.7 | 92.7 | 137 | 60 | 0 | 0 | 0 | 0 | 120.8 | | |
| 434 | G | 33.2 | Very low | 39.5 | Very low | 71 Ų | 71 | 121.7 Ų | 121.7 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | | | | 107.4 | 166.9 | 117 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 435 | H | 37.1 | Very low | 39.4 | Very low | 191 Ų | 191 | 121 Ų | 121 | 88% | 0.884 | 77% | 0.77 | S | S | * | * | | | trans | 68.6 | 75.9 | 169.1 | -56 | 97.9 | 0 | 0 | 0 | 118.1 | | |
| 436 | S | 35.8 | Very low | 39.8 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -74.2 | 125.4 | 159.4 | 55 | 0 | 0 | 0 | 0 | 112.2 | | |
| 437 | I | 42.2 | Very low | 40.1 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | | | trans | -123.6 | 115.3 | 157.7 | -64.9 | 179.7 | 0 | 0 | 0 | 107.2 | | |
| 438 | G | 36.1 | Very low | 40.3 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -99.8 | 138.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 439 | V | 44.1 | Very low | 41.2 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -118.7 | 140.9 | 165.6 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 440 | H | 32.9 | Very low | 42.4 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -100.6 | 133.3 | -162.5 | 33.5 | -92.6 | 0 | 0 | 0 | 111.5 | | |
| 441 | T | 45 | Very low | 43.3 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | | | trans | -161.7 | 111.7 | 148 | -3.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 442 | T | 39.4 | Very low | 45 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | | | trans | 32.1 | 86 | 144.1 | 57.6 | 0 | 0 | 0 | 0 | 119.5 | N444 | T442-N444 PolarHBondContact O-N 3.2Š|
| 443 | T | 43.7 | Very low | 46.6 | Very low | 142 Ų | 142 | 151 Ų | 151 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | | | trans | -85.9 | 95 | 165 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 444 | N | 41.9 | Very low | 48.2 | Very low | 134 Ų | 134 | 154.4 Ų | 154.4 | 72% | 0.717 | 81% | 0.814 | S | S | * | * | | | trans | -129.4 | 136.2 | 172.9 | -109.7 | -24 | 0 | 0 | 0 | 112.4 | T442 | T442-N444 PolarHBondContact O-N 3.2Š|
| 445 | N | 41.5 | Very low | 50.7 | Low | 139 Ų | 139 | 162.1 Ų | 162.1 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | | | trans | 66.9 | 42.1 | 160.1 | -63 | -18.3 | 0 | 0 | 0 | 121.4 | | |
| 446 | F | 51.2 | Low | 53 | Low | 209 Ų | 209 | 164.2 Ų | 164.2 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | | | trans | -95.7 | 34.1 | 154.2 | -73.2 | -70.9 | 0 | 0 | 0 | 113.7 | G448 | F446-G448 VanDerWaalsContact C-N 3.28Å; F446-G448 PolarHBondContact O-N 2.88Å |
| 447 | R | 43.8 | Very low | 55.3 | Low | 249 Ų | 249 | 163.9 Ų | 163.9 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | | | trans | -81.5 | 68 | 175.1 | -71.9 | -168.8 | 177 | -149.5 | 1 | 111.8 | | |
| 448 | G | 42.5 | Very low | 57.7 | Low | 52 Ų | 52 | 163.4 Ų | 163.4 | 54% | 0.536 | 81% | 0.812 | S | S | . | * | | | trans | -154.4 | 160.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | F446 S450 | F446-G448 VanDerWaalsContact C-N 3.28Å; F446-G448 PolarHBondContact O-N 2.88Å; G448-S450 VanDerWaalsContact C-N 3.26Å; G448-S450 PolarHBondContact O-N 3.29Å |
| 449 | L | 57.1 | Low | 60.5 | Low | 182 Ų | 182 | 163.1 Ų | 163.1 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | | | trans | 63.7 | -5.5 | 164.8 | -54.7 | 177.4 | 0 | 0 | 0 | 119.7 | Q451 | L449-Q451 PolarHBondContact O-N 3.2Š|
| 450 | S | 59.8 | Low | 63 | Low | 108 Ų | 108 | 160.9 Ų | 160.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -70.3 | 93.2 | 167.7 | -171.3 | 0 | 0 | 0 | 0 | 111.4 | G448 R452 | G448-S450 VanDerWaalsContact C-N 3.26Å; G448-S450 PolarHBondContact O-N 3.29Å; S450-R452 PolarHBondContact O-N 3.17Å |
| 451 | Q | 61.9 | Low | 66.1 | Low | 188 Ų | 188 | 160.8 Ų | 160.8 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | trans | -66.3 | 90.3 | 172.6 | -75.3 | -170.4 | -15.2 | 0 | 0 | 110.5 | L449 R453 | L449-Q451 PolarHBondContact O-N 3.2Å; Q451-R453 PolarHBondContact O-N 3.01Å |
| 452 | R | 68.1 | Low | 68.6 | Low | 233 Ų | 233 | 158.1 Ų | 158.1 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | | | trans | -56.7 | 107.2 | 175.9 | -62.4 | -178.9 | 82.1 | 167.5 | 6.5 | 109.8 | S450 K454 | S450-R452 PolarHBondContact O-N 3.17Å; R452-K454 PolarHBondContact O-N 3.35Å; R452-K454 VanDerWaalsContact O-N 3.17Å |
| 453 | R | 76.6 | Confident | 71.4 | Confident | 249 Ų | 249 | 153.5 Ų | 153.5 | 94% | 0.94 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -50 | 122.1 | 174.4 | -70.3 | 179.4 | 176.4 | 168.8 | -0.8 | 109.2 | Q451 R455 | Q451-R453 PolarHBondContact O-N 3.01Å; R453-R455 PolarHBondContact O-N 3.43Å |
| 454 | K | 78.1 | Confident | 73.9 | Confident | 204 Ų | 204 | 148.2 Ų | 148.2 | 89% | 0.887 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 125.1 | -176.6 | -168.8 | 167.1 | -177 | 172.2 | 0 | 109.7 | R452 R456 | R452-K454 PolarHBondContact O-N 3.35Å; R452-K454 VanDerWaalsContact O-N 3.17Å; K454-R456 PolarHBondContact O-N 2.88Å |
| 455 | R | 85.1 | Confident | 76.6 | Confident | 233 Ų | 233 | 148.6 Ų | 148.6 | 88% | 0.879 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 128.2 | -177.9 | -178.8 | 175.2 | 177.9 | 166.6 | 0.3 | 109.7 | R453 V457 | R453-R455 PolarHBondContact O-N 3.43Å; R455-V457 PolarHBondContact O-N 3.4Å |
| 456 | R | 87 | Confident | 79.3 | Confident | 234 Ų | 234 | 144 Ų | 144 | 88% | 0.883 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 127.1 | 172.6 | -68.8 | -177.3 | 179.2 | 174.9 | 0.4 | 108.6 | K454 | K454-R456 PolarHBondContact O-N 2.88Š|
| 457 | V | 83.8 | Confident | 81.5 | Confident | 113 Ų | 113 | 134 Ų | 134 | 69% | 0.685 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 131.9 | 172.3 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | R455 | R455-V457 PolarHBondContact O-N 3.4Š|
| 458 | L | 92 | Very high | 84.1 | Confident | 155 Ų | 155 | 125.9 Ų | 125.9 | 81% | 0.812 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 143.4 | 169.7 | -60.5 | 177.1 | 0 | 0 | 0 | 108.6 | | |
| 459 | F | 95.8 | Very high | 86.7 | Confident | 63 Ų | 63 | 129 Ų | 129 | 28% | 0.276 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -76.4 | 149.9 | 171.5 | -55.5 | -52.4 | 0 | 0 | 0 | 109.9 | Q463 V464 L491 Q495 W499 | F459-Q463 HydrophobicContact CB-CB 4.15Å; F459-V464 HydrophobicContact CB-CG2 3.97Å; F459-L491 HydrophobicContact CD1-CD1 3.63Å; F459-L491 HydrophobicContact CD1-CD2 3.66Å; F459-L491 HydrophobicContact CD1-CG 4.33Å; F459-L491 HydrophobicContact CE1-CD1 3.65Å; F459-L491 HydrophobicContact CE1-CD2 3.69Å; F459-L491 HydrophobicContact CE1-CG 4.34Å; F459-L491 HydrophobicContact CG-CD1 4.32Å; F459-L491 HydrophobicContact CZ-CD1 4.36Å; F459-Q495 HydrophobicContact CE1-CB 4.22Å; F459-Q495 HydrophobicContact CE1-CG 4.28Å; F459-Q495 HydrophobicContact CZ-CB 4.16Å; F459-Q495 HydrophobicContact CZ-CG 4.36Å; F459-W499 AromaticContact CD2-CD1 3.93Å; F459-W499 HydrophobicContact CE2-CB 4.49Å; F459-W499 AromaticContact CE2-CD1 3.79Å |
| 460 | T | 96.9 | Very high | 88.7 | Confident | 80 Ų | 80 | 123.9 Ų | 123.9 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -72.5 | 158.8 | 174.5 | 71.6 | 0 | 0 | 0 | 0 | 110.8 | A462 Q463 V464 | T460-A462 PolarHBondContact O-N 2.9Å; T460-Q463 WeakPolarHBondContact O-CB 3.2Å; T460-Q463 PolarHBondContact O-N 3.29Å; T460-Q463 WeakPolarHBondContact OG1-CG 3.24Å; T460-Q463 PolarHBondContact OG1-N 2.88Å; T460-V464 PolarHBondContact O-N 2.91Å |
| 461 | Q | 97.1 | Very high | 90.5 | Very high | 154 Ų | 154 | 119 Ų | 119 | 72% | 0.72 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.8 | -34.6 | 179.4 | -170.7 | 60.2 | 21.3 | 0 | 0 | 112.4 | V464 Y465 | Q461-V464 PolarHBondContact O-N 3.19Å; Q461-Y465 WeakPolarHBondContact O-CB 3.38Å; Q461-Y465 PolarHBondContact O-N 3.36Å |
| 462 | A | 97.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 117.7 Ų | 117.7 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.6 | -39.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | T460 Y465 E466 | T460-A462 PolarHBondContact O-N 2.9Å; A462-Y465 PolarHBondContact O-N 3.1Å; A462-E466 PolarHBondContact O-N 3.31Å; A462-E466 VanDerWaalsContact O-N 3.11Å |
| 463 | Q | 97.8 | Very high | 93.5 | Very high | 32 Ų | 32 | 112.7 Ų | 112.7 | 15% | 0.15 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 173.1 | -73.9 | 173.8 | -28.3 | 0 | 0 | 111.4 | F459 T460 L467 I489 | F459-Q463 HydrophobicContact CB-CB 4.15Å; T460-Q463 WeakPolarHBondContact O-CB 3.2Å; T460-Q463 PolarHBondContact O-N 3.29Å; T460-Q463 WeakPolarHBondContact OG1-CG 3.24Å; T460-Q463 PolarHBondContact OG1-N 2.88Å; Q463-L467 WeakPolarHBondContact O-CB 3.47Å; Q463-L467 VanDerWaalsContact O-CD1 3.31Å; Q463-L467 WeakPolarHBondContact O-CD1 3.47Å; Q463-L467 WeakPolarHBondContact O-CG 3.49Å; Q463-L467 PolarHBondContact O-N 3.32Å; Q463-I489 HydrophobicContact CG-CB 4.33Å; Q463-I489 WeakPolarHBondContact CG-O 3.34Å; Q463-I489 PolarHBondContact NE2-O 3.24Å |
| 464 | V | 97.6 | Very high | 94.5 | Very high | 31 Ų | 31 | 103 Ų | 103 | 19% | 0.188 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 176 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | F459 T460 Q461 L467 E468 | F459-V464 HydrophobicContact CB-CG2 3.97Å; T460-V464 PolarHBondContact O-N 2.91Å; Q461-V464 PolarHBondContact O-N 3.19Å; V464-L467 PolarHBondContact O-N 2.98Å; V464-E468 HydrophobicContact CG1-CG 4.29Å; V464-E468 WeakPolarHBondContact O-CB 3.37Å; V464-E468 WeakPolarHBondContact O-CG 3.4Å; V464-E468 PolarHBondContact O-N 3.33Å |
| 465 | Y | 97.8 | Very high | 95.3 | Very high | 143 Ų | 143 | 97.8 Ų | 97.8 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -57.9 | -50.9 | 178 | 176.2 | -93.2 | 0 | 0 | 0 | 112.7 | Q461 A462 L467 E468 R469 | Q461-Y465 WeakPolarHBondContact O-CB 3.38Å; Q461-Y465 PolarHBondContact O-N 3.36Å; A462-Y465 PolarHBondContact O-N 3.1Å; Y465-L467 PolarHBondContact O-N 3.42Å; Y465-E468 PolarHBondContact O-N 3.01Å; Y465-R469 VanDerWaalsContact O-CB 3.28Å; Y465-R469 WeakPolarHBondContact O-CB 3.49Å; Y465-R469 PolarHBondContact O-N 3.37Å |
| 466 | E | 97.9 | Very high | 96 | Very high | 42 Ų | 42 | 94.4 Ų | 94.4 | 20% | 0.196 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -68.9 | -33.9 | 179.3 | -77.1 | -58.3 | 141.7 | 0 | 0 | 112.9 | A462 R469 R470 I489 | A462-E466 PolarHBondContact O-N 3.31Å; A462-E466 VanDerWaalsContact O-N 3.11Å; E466-R469 VanDerWaalsContact CD-NH1 3.29Å; E466-R469 PolarHBondContact O-N 2.96Å; E466-R469 WeakPolarHBondContact OE1-CD 3.2Å; E466-R469 IonicContact OE1-CZ 2.81Å; E466-R469 IonicContact OE1-NE 2.78Å; E466-R469 IonicContact OE1-NH1 3.43Å; E466-R469 PolarHBondContact OE1-NH1 2.68Å; E466-R469 IonicContact OE2-CZ 2.73Å; E466-R469 IonicContact OE2-NH1 3.91Å; E466-R469 PolarHBondContact OE2-NH1 3.06Å; E466-R470 PolarHBondContact O-N 3.11Å; E466-I489 HydrophobicContact CB-CG2 3.71Å; E466-I489 HydrophobicContact CG-CG2 4.36Å |
| 467 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 170.8 | -74 | 165.6 | 0 | 0 | 0 | 111.3 | Q463 V464 Y465 F471 L485 I489 L491 V496 W499 F500 | Q463-L467 WeakPolarHBondContact O-CB 3.47Å; Q463-L467 VanDerWaalsContact O-CD1 3.31Å; Q463-L467 WeakPolarHBondContact O-CD1 3.47Å; Q463-L467 WeakPolarHBondContact O-CG 3.49Å; Q463-L467 PolarHBondContact O-N 3.32Å; V464-L467 PolarHBondContact O-N 2.98Å; Y465-L467 PolarHBondContact O-N 3.42Å; L467-F471 WeakPolarHBondContact O-CB 3.37Å; L467-F471 PolarHBondContact O-N 3.5Å; L467-L485 HydrophobicContact CD2-CD2 4.14Å; L467-I489 HydrophobicContact CD1-CD1 4.13Å; L467-I489 HydrophobicContact CD2-CD1 3.58Å; L467-I489 HydrophobicContact CG-CD1 3.62Å; L467-L491 HydrophobicContact CD1-CD1 4.1Å; L467-V496 HydrophobicContact CD2-CG1 4.18Å; L467-V496 HydrophobicContact CD2-CG2 4.35Å; L467-W499 VanDerWaalsContact C-CH2 3.43Å; L467-W499 HydrophobicContact CB-CD2 3.85Å; L467-W499 HydrophobicContact CB-CE3 3.87Å; L467-W499 HydrophobicContact CB-CH2 3.71Å; L467-W499 HydrophobicContact CB-CZ2 3.67Å; L467-W499 HydrophobicContact CB-CZ3 3.82Å; L467-W499 HydrophobicContact CD1-CB 4.47Å; L467-W499 HydrophobicContact CD1-CD2 3.93Å; L467-W499 HydrophobicContact CD1-CG 3.83Å; L467-W499 HydrophobicContact CD2-CD2 4.19Å; L467-W499 HydrophobicContact CD2-CE3 4.07Å; L467-W499 HydrophobicContact CD2-CG 4.46Å; L467-W499 HydrophobicContact CG-CD2 4.21Å; L467-W499 HydrophobicContact CG-CE3 4.39Å; L467-W499 WeakPolarHBondContact O-CH2 3.23Å; L467-W499 WeakPolarHBondContact O-CZ3 3.47Å; L467-F500 HydrophobicContact CD2-CD2 4.33Å; L467-F500 HydrophobicContact CD2-CE2 3.88Å |
| 468 | E | 98 | Very high | 97.1 | Very high | 77 Ų | 77 | 81.3 Ų | 81.3 | 36% | 0.36 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.3 | -38.1 | 177 | -70.4 | -167.5 | 167.2 | 0 | 0 | 113.1 | V464 Y465 F471 K472 W499 H503 | V464-E468 HydrophobicContact CG1-CG 4.29Å; V464-E468 WeakPolarHBondContact O-CB 3.37Å; V464-E468 WeakPolarHBondContact O-CG 3.4Å; V464-E468 PolarHBondContact O-N 3.33Å; Y465-E468 PolarHBondContact O-N 3.01Å; E468-F471 CarbonylContact O-C 3.58Å; E468-F471 PolarHBondContact O-N 3.39Å; E468-K472 WeakPolarHBondContact O-CG 3.44Å; E468-K472 PolarHBondContact O-N 3.05Å; E468-W499 HydrophobicContact CB-CH2 4.41Å; E468-W499 HydrophobicContact CG-CH2 3.7Å; E468-W499 HydrophobicContact CG-CZ2 3.57Å; E468-H503 IonicContact OE1-CE1 3.03Å |
| 469 | R | 97.7 | Very high | 97.3 | Very high | 119 Ų | 119 | 76.9 Ų | 76.9 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60 | -50.5 | 174.4 | -179 | 173.8 | 171.7 | -120.5 | 4.5 | 111 | Y465 E466 F471 K472 Q473 | Y465-R469 VanDerWaalsContact O-CB 3.28Å; Y465-R469 WeakPolarHBondContact O-CB 3.49Å; Y465-R469 PolarHBondContact O-N 3.37Å; E466-R469 VanDerWaalsContact CD-NH1 3.29Å; E466-R469 PolarHBondContact O-N 2.96Å; E466-R469 WeakPolarHBondContact OE1-CD 3.2Å; E466-R469 IonicContact OE1-CZ 2.81Å; E466-R469 IonicContact OE1-NE 2.78Å; E466-R469 IonicContact OE1-NH1 3.43Å; E466-R469 PolarHBondContact OE1-NH1 2.68Å; E466-R469 IonicContact OE2-CZ 2.73Å; E466-R469 IonicContact OE2-NH1 3.91Å; E466-R469 PolarHBondContact OE2-NH1 3.06Å; R469-F471 VanDerWaalsContact C-N 3.34Å; R469-F471 PolarHBondContact O-N 2.95Å; R469-K472 PolarHBondContact O-N 3.26Å; R469-Q473 PolarHBondContact O-N 3.24Å |
| 470 | R | 97.4 | Very high | 97.4 | Very high | 74 Ų | 74 | 78.3 Ų | 78.3 | 28% | 0.279 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.7 | -33.8 | 175 | -170.1 | 64.7 | 179.5 | -150.8 | 3.4 | 111.9 | E466 Q473 Q474 L477 E481 L485 F500 | E466-R470 PolarHBondContact O-N 3.11Å; R470-Q473 PolarHBondContact O-N 3.33Å; R470-Q474 PolarHBondContact O-N 3.25Å; R470-L477 HydrophobicContact CG-CD2 3.85Å; R470-E481 IonicContact NH2-OE1 2.67Å; R470-E481 PolarHBondContact NH2-OE1 3.48Å; R470-L485 HydrophobicContact CB-CD1 4.38Å; R470-L485 HydrophobicContact CB-CD2 4.07Å; R470-L485 HydrophobicContact CG-CD2 4.06Å; R470-F500 HydrophobicContact CB-CZ 4.28Å; R470-F500 HydrophobicContact CG-CZ 4.24Å |
| 471 | F | 97.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 77 Ų | 77 | 2% | 0.022 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.4 | -33.1 | 174.8 | -169.7 | -100.2 | 0 | 0 | 0 | 113.6 | L467 E468 R469 K475 W499 F500 H503 R504 | L467-F471 WeakPolarHBondContact O-CB 3.37Å; L467-F471 PolarHBondContact O-N 3.5Å; E468-F471 CarbonylContact O-C 3.58Å; E468-F471 PolarHBondContact O-N 3.39Å; R469-F471 VanDerWaalsContact C-N 3.34Å; R469-F471 PolarHBondContact O-N 2.95Å; F471-K475 HydrophobicContact CD1-CD 4.09Å; F471-K475 HydrophobicContact CD2-CD 4.47Å; F471-K475 HydrophobicContact CE1-CD 3.55Å; F471-K475 HydrophobicContact CE2-CB 4.22Å; F471-K475 HydrophobicContact CE2-CD 3.99Å; F471-K475 HydrophobicContact CZ-CB 4.36Å; F471-K475 HydrophobicContact CZ-CD 3.51Å; F471-K475 HydrophobicContact CZ-CG 4.49Å; F471-K475 WeakPolarHBondContact O-CD 3.28Å; F471-K475 WeakPolarHBondContact O-CE 3.45Å; F471-K475 PolarHBondContact O-NZ 3.46Å; F471-W499 HydrophobicContact CB-CH2 3.98Å; F471-W499 HydrophobicContact CB-CZ3 3.83Å; F471-W499 HydrophobicContact CD2-CZ3 4.21Å; F471-W499 HydrophobicContact CG-CH2 4.38Å; F471-W499 HydrophobicContact CG-CZ3 4.13Å; F471-F500 HydrophobicContact CB-CE1 4.19Å; F471-F500 HydrophobicContact CB-CZ 4.23Å; F471-F500 AromaticContact CD2-CD1 3.66Å; F471-F500 HydrophobicContact CD2-CD1 3.66Å; F471-F500 AromaticContact CD2-CE1 3.67Å; F471-F500 HydrophobicContact CD2-CE1 3.67Å; F471-F500 HydrophobicContact CD2-CG 4.41Å; F471-F500 HydrophobicContact CD2-CZ 4.41Å; F471-F500 HydrophobicContact CE2-CD1 4.24Å; F471-F500 HydrophobicContact CG-CE1 4.45Å; F471-H503 AromaticContact CD1-CD2 3.36Å; F471-H503 WeakPolarHBondContact CD1-CD2 3.23Å; F471-H503 AromaticContact CD1-CG 3.86Å; F471-H503 AromaticContact CD1-NE2 3.52Å; F471-H503 HydrophobicContact CD2-CB 4.4Å; F471-H503 HydrophobicContact CE1-CB 4.47Å; F471-H503 AromaticContact CE1-CD2 3.09Å; F471-H503 WeakPolarHBondContact CE1-CD2 3.01Å; F471-H503 AromaticContact CE1-CG 3.87Å; F471-H503 AromaticContact CE1-NE2 3.59Å; F471-H503 HydrophobicContact CE2-CB 4.25Å; F471-H503 HydrophobicContact CZ-CB 4.27Å; F471-H503 AromaticContact CZ-CD2 3.64Å; F471-R504 HydrophobicContact CE2-CG 3.76Å; F471-R504 HydrophobicContact CZ-CG 3.84Å |
| 472 | K | 96.8 | Very high | 97.4 | Very high | 161 Ų | 161 | 72.7 Ų | 72.7 | 70% | 0.7 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.1 | -48 | 172.1 | -77.8 | 175.2 | -179.1 | -176.6 | 0 | 110.1 | E468 R469 K475 | E468-K472 WeakPolarHBondContact O-CG 3.44Å; E468-K472 PolarHBondContact O-N 3.05Å; R469-K472 PolarHBondContact O-N 3.26Å; K472-K475 PolarHBondContact O-NZ 3.38Å |
| 473 | Q | 96.6 | Very high | 97.5 | Very high | 128 Ų | 128 | 74.4 Ų | 74.4 | 60% | 0.598 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.7 | -43.2 | 176.4 | -64.9 | 170.8 | -15.4 | 0 | 0 | 113.5 | R469 R470 | R469-Q473 PolarHBondContact O-N 3.24Å; R470-Q473 PolarHBondContact O-N 3.33Å |
| 474 | Q | 96.6 | Very high | 97.5 | Very high | 46 Ų | 46 | 78.7 Ų | 78.7 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | | | trans | -149.9 | 112.2 | -165.4 | -172.7 | -176.1 | 13.5 | 0 | 0 | 111.3 | R470 Y476 L477 E481 F500 | R470-Q474 PolarHBondContact O-N 3.25Å; Q474-Y476 VanDerWaalsContact C-N 3.29Å; Q474-Y476 WeakPolarHBondContact CG-O 3.43Å; Q474-Y476 PolarHBondContact NE2-O 2.95Å; Q474-Y476 VanDerWaalsContact NE2-O 3.15Å; Q474-Y476 PolarHBondContact O-N 3.11Å; Q474-L477 HydrophobicContact CB-CD2 4.48Å; Q474-L477 HydrophobicContact CG-CD2 4.25Å; Q474-E481 VanDerWaalsContact CD-OE1 3.28Å; Q474-E481 PolarHBondContact NE2-OE1 2.87Å; Q474-E481 PolarHBondContact NE2-OE2 3.48Å; Q474-E481 PolarHBondContact OE1-OE1 3.06Å; Q474-F500 WeakPolarHBondContact O-CE1 3.27Å |
| 475 | K | 96.7 | Very high | 97.5 | Very high | 93 Ų | 93 | 77.7 Ų | 77.7 | 40% | 0.404 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -73.5 | -17.3 | -176.5 | -51 | -62.1 | 166.3 | -157.5 | 0 | 114.1 | F471 K472 R504 | F471-K475 HydrophobicContact CD1-CD 4.09Å; F471-K475 HydrophobicContact CD2-CD 4.47Å; F471-K475 HydrophobicContact CE1-CD 3.55Å; F471-K475 HydrophobicContact CE2-CB 4.22Å; F471-K475 HydrophobicContact CE2-CD 3.99Å; F471-K475 HydrophobicContact CZ-CB 4.36Å; F471-K475 HydrophobicContact CZ-CD 3.51Å; F471-K475 HydrophobicContact CZ-CG 4.49Å; F471-K475 WeakPolarHBondContact O-CD 3.28Å; F471-K475 WeakPolarHBondContact O-CE 3.45Å; F471-K475 PolarHBondContact O-NZ 3.46Å; K472-K475 PolarHBondContact O-NZ 3.38Å; K475-R504 WeakPolarHBondContact O-CD 3.31Å |
| 476 | Y | 97.9 | Very high | 97.5 | Very high | 162 Ų | 162 | 71.1 Ų | 71.1 | 64% | 0.635 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -137.7 | 110.8 | -175.4 | -63.1 | -104.2 | 0 | 0 | 0 | 110 | Q474 | Q474-Y476 VanDerWaalsContact C-N 3.29Å; Q474-Y476 WeakPolarHBondContact CG-O 3.43Å; Q474-Y476 PolarHBondContact NE2-O 2.95Å; Q474-Y476 VanDerWaalsContact NE2-O 3.15Å; Q474-Y476 PolarHBondContact O-N 3.11Å |
| 477 | L | 97 | Very high | 97.4 | Very high | 18 Ų | 18 | 74.8 Ų | 74.8 | 9% | 0.094 | 35% | 0.354 | C | S | . | . | | | trans | -85 | 135.5 | 174.7 | -58 | -177.2 | 0 | 0 | 0 | 111.7 | R470 Q474 E481 R482 L485 V496 F500 | R470-L477 HydrophobicContact CG-CD2 3.85Å; Q474-L477 HydrophobicContact CB-CD2 4.48Å; Q474-L477 HydrophobicContact CG-CD2 4.25Å; L477-E481 HydrophobicContact CB-CB 4.45Å; L477-E481 HydrophobicContact CD2-CB 4.36Å; L477-R482 HydrophobicContact CB-CB 4.1Å; L477-R482 HydrophobicContact CD1-CB 4.19Å; L477-R482 PolarHBondContact O-NH2 3.13Å; L477-L485 HydrophobicContact CD1-CD2 3.72Å; L477-V496 HydrophobicContact CD1-CG1 3.84Å; L477-F500 HydrophobicContact CD1-CD1 4.33Å; L477-F500 HydrophobicContact CD1-CD2 4.13Å; L477-F500 HydrophobicContact CD1-CE1 3.91Å; L477-F500 HydrophobicContact CD1-CE2 3.72Å; L477-F500 HydrophobicContact CD1-CG 4.45Å; L477-F500 HydrophobicContact CD1-CZ 3.61Å; L477-F500 HydrophobicContact CD2-CE1 3.96Å; L477-F500 HydrophobicContact CD2-CZ 4.13Å; L477-F500 HydrophobicContact CG-CD1 3.95Å; L477-F500 HydrophobicContact CG-CE1 3.58Å; L477-F500 HydrophobicContact CG-CE2 4.32Å; L477-F500 HydrophobicContact CG-CG 4.48Å; L477-F500 HydrophobicContact CG-CZ 3.81Å |
| 478 | S | 97.4 | Very high | 97.4 | Very high | 54 Ų | 54 | 79.9 Ų | 79.9 | 38% | 0.378 | 38% | 0.381 | S | S | . | . | | | trans | -62.7 | -178.3 | 164 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | E481 R482 | S478-E481 WeakPolarHBondContact CB-OE2 3.2Å; S478-E481 PolarHBondContact N-OE2 3.15Å; S478-E481 VanDerWaalsContact OG-CD 3.27Å; S478-E481 VanDerWaalsContact OG-CG 3.27Å; S478-E481 WeakPolarHBondContact OG-CG 3.49Å; S478-E481 PolarHBondContact OG-OE2 3.45Å; S478-R482 VanDerWaalsContact O-CB 3.23Å; S478-R482 WeakPolarHBondContact O-CB 3.39Å; S478-R482 PolarHBondContact O-N 3.39Å; S478-R482 PolarHBondContact O-NH2 2.99Å |
| 479 | A | 96.8 | Very high | 97.3 | Very high | 62 Ų | 62 | 76.9 Ų | 76.9 | 51% | 0.512 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.1 | -50.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E481 R482 E483 | A479-E481 PolarHBondContact O-N 3.38Å; A479-R482 WeakPolarHBondContact O-CB 3.4Å; A479-R482 PolarHBondContact O-N 3.33Å; A479-E483 PolarHBondContact O-N 3.2Å; A479-E483 VanDerWaalsContact O-N 3.1Å |
| 480 | P | 97.4 | Very high | 97.3 | Very high | 94 Ų | 94 | 77 Ų | 77 | 61% | 0.61 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.5 | -40.8 | -178.8 | -23.4 | 35.5 | 0 | 0 | 0 | 113.6 | R482 E483 H484 | P480-R482 VanDerWaalsContact C-N 3.28Å; P480-R482 PolarHBondContact O-N 3.19Å; P480-E483 PolarHBondContact O-N 3.3Å; P480-H484 PolarHBondContact O-N 3.47Å |
| 481 | E | 97.5 | Very high | 97.2 | Very high | 53 Ų | 53 | 74.5 Ų | 74.5 | 25% | 0.248 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 179.3 | -64.3 | 168.8 | 112 | 0 | 0 | 112.5 | R470 Q474 L477 S478 A479 L485 | R470-E481 IonicContact NH2-OE1 2.67Å; R470-E481 PolarHBondContact NH2-OE1 3.48Å; Q474-E481 VanDerWaalsContact CD-OE1 3.28Å; Q474-E481 PolarHBondContact NE2-OE1 2.87Å; Q474-E481 PolarHBondContact NE2-OE2 3.48Å; Q474-E481 PolarHBondContact OE1-OE1 3.06Å; L477-E481 HydrophobicContact CB-CB 4.45Å; L477-E481 HydrophobicContact CD2-CB 4.36Å; S478-E481 WeakPolarHBondContact CB-OE2 3.2Å; S478-E481 PolarHBondContact N-OE2 3.15Å; S478-E481 VanDerWaalsContact OG-CD 3.27Å; S478-E481 VanDerWaalsContact OG-CG 3.27Å; S478-E481 WeakPolarHBondContact OG-CG 3.49Å; S478-E481 PolarHBondContact OG-OE2 3.45Å; A479-E481 PolarHBondContact O-N 3.38Å; E481-L485 VanDerWaalsContact O-CB 3.28Å; E481-L485 WeakPolarHBondContact O-CB 3.36Å; E481-L485 PolarHBondContact O-N 2.87Å |
| 482 | R | 97.9 | Very high | 97.2 | Very high | 62 Ų | 62 | 77.5 Ų | 77.5 | 23% | 0.234 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.6 | -37.8 | 175.8 | -174.7 | -167.6 | -49.8 | 133.1 | 12.8 | 111.4 | L477 S478 A479 P480 S486 P493 V496 | L477-R482 HydrophobicContact CB-CB 4.1Å; L477-R482 HydrophobicContact CD1-CB 4.19Å; L477-R482 PolarHBondContact O-NH2 3.13Å; S478-R482 VanDerWaalsContact O-CB 3.23Å; S478-R482 WeakPolarHBondContact O-CB 3.39Å; S478-R482 PolarHBondContact O-N 3.39Å; S478-R482 PolarHBondContact O-NH2 2.99Å; A479-R482 WeakPolarHBondContact O-CB 3.4Å; A479-R482 PolarHBondContact O-N 3.33Å; P480-R482 VanDerWaalsContact C-N 3.28Å; P480-R482 PolarHBondContact O-N 3.19Å; R482-S486 WeakPolarHBondContact O-CB 3.27Å; R482-S486 PolarHBondContact O-N 2.95Å; R482-S486 PolarHBondContact O-OG 2.91Å; R482-P493 VanDerWaalsContact CD-O 3.32Å; R482-P493 WeakPolarHBondContact CD-O 3.47Å; R482-P493 HydrophobicContact CG-CB 4.37Å; R482-V496 HydrophobicContact CG-CB 4Å; R482-V496 HydrophobicContact CG-CG1 3.83Å |
| 483 | E | 97.9 | Very high | 97.3 | Very high | 106 Ų | 106 | 72.4 Ų | 72.4 | 50% | 0.495 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.8 | -52 | 175.6 | -178.2 | 159.4 | -158.9 | 0 | 0 | 111.1 | A479 P480 L485 S486 Q487 | A479-E483 PolarHBondContact O-N 3.2Å; A479-E483 VanDerWaalsContact O-N 3.1Å; P480-E483 PolarHBondContact O-N 3.3Å; E483-L485 PolarHBondContact O-N 3.27Å; E483-S486 WeakPolarHBondContact CA-OG 3.41Å; E483-S486 WeakPolarHBondContact O-CB 3.4Å; E483-S486 PolarHBondContact O-N 3.47Å; E483-S486 PolarHBondContact O-OG 3.08Å; E483-Q487 WeakPolarHBondContact O-CG 3.44Å; E483-Q487 PolarHBondContact O-N 3.45Å |
| 484 | H | 97.7 | Very high | 97.3 | Very high | 122 Ų | 122 | 70.5 Ų | 70.5 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -56.2 | -48 | 174.8 | 177.8 | -159.6 | 0 | 0 | 0 | 112.2 | P480 S486 Q487 L488 | P480-H484 PolarHBondContact O-N 3.47Å; H484-S486 VanDerWaalsContact C-N 3.29Å; H484-S486 PolarHBondContact O-N 3.11Å; H484-Q487 PolarHBondContact O-N 3.45Å; H484-L488 PolarHBondContact O-N 3.47Å |
| 485 | L | 97.9 | Very high | 97.3 | Very high | 11 Ų | 11 | 71.1 Ų | 71.1 | 6% | 0.058 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 175.7 | -177.7 | 65 | 0 | 0 | 0 | 111.7 | L467 R470 L477 E481 E483 Q487 L488 I489 V496 F500 | L467-L485 HydrophobicContact CD2-CD2 4.14Å; R470-L485 HydrophobicContact CB-CD1 4.38Å; R470-L485 HydrophobicContact CB-CD2 4.07Å; R470-L485 HydrophobicContact CG-CD2 4.06Å; L477-L485 HydrophobicContact CD1-CD2 3.72Å; E481-L485 VanDerWaalsContact O-CB 3.28Å; E481-L485 WeakPolarHBondContact O-CB 3.36Å; E481-L485 PolarHBondContact O-N 2.87Å; E483-L485 PolarHBondContact O-N 3.27Å; L485-Q487 PolarHBondContact O-N 3.35Å; L485-L488 PolarHBondContact O-N 3.39Å; L485-I489 HydrophobicContact CD1-CG2 4.12Å; L485-I489 HydrophobicContact CG-CD1 4.23Å; L485-I489 VanDerWaalsContact O-CG1 3.31Å; L485-I489 WeakPolarHBondContact O-CG1 3.41Å; L485-I489 PolarHBondContact O-N 3.31Å; L485-I489 VanDerWaalsContact O-N 3.11Å; L485-V496 HydrophobicContact CD2-CG1 3.92Å; L485-F500 HydrophobicContact CD2-CE2 3.85Å; L485-F500 HydrophobicContact CD2-CZ 4.16Å |
| 486 | S | 97.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 3% | 0.028 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.2 | -38.4 | -179.2 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | R482 E483 H484 N490 L491 P493 | R482-S486 WeakPolarHBondContact O-CB 3.27Å; R482-S486 PolarHBondContact O-N 2.95Å; R482-S486 PolarHBondContact O-OG 2.91Å; E483-S486 WeakPolarHBondContact CA-OG 3.41Å; E483-S486 WeakPolarHBondContact O-CB 3.4Å; E483-S486 PolarHBondContact O-N 3.47Å; E483-S486 PolarHBondContact O-OG 3.08Å; H484-S486 VanDerWaalsContact C-N 3.29Å; H484-S486 PolarHBondContact O-N 3.11Å; S486-N490 PolarHBondContact O-N 3.5Å; S486-N490 VanDerWaalsContact O-N 3.09Å; S486-L491 CarbonylContact C-O 3.47Å; S486-L491 WeakPolarHBondContact CB-O 3.35Å; S486-L491 PolarHBondContact O-N 2.92Å; S486-P493 WeakPolarHBondContact OG-CD 3.49Å; S486-P493 WeakPolarHBondContact OG-CG 3.39Å |
| 487 | Q | 97.4 | Very high | 97.4 | Very high | 119 Ų | 119 | 64.4 Ų | 64.4 | 56% | 0.556 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.5 | -50.1 | 172.2 | -67.3 | 169.1 | 2.6 | 0 | 0 | 110.7 | E483 H484 L485 I489 N490 | E483-Q487 WeakPolarHBondContact O-CG 3.44Å; E483-Q487 PolarHBondContact O-N 3.45Å; H484-Q487 PolarHBondContact O-N 3.45Å; L485-Q487 PolarHBondContact O-N 3.35Å; Q487-I489 VanDerWaalsContact C-N 3.29Å; Q487-I489 PolarHBondContact O-N 3.28Å; Q487-N490 PolarHBondContact O-N 3.27Å |
| 488 | L | 96.9 | Very high | 97.4 | Very high | 108 Ų | 108 | 67.7 Ų | 67.7 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -56.1 | -39.9 | -178.8 | -179.5 | 63.4 | 0 | 0 | 0 | 113.3 | H484 L485 | H484-L488 PolarHBondContact O-N 3.47Å; L485-L488 PolarHBondContact O-N 3.39Å |
| 489 | I | 96.9 | Very high | 97.4 | Very high | 13 Ų | 13 | 66.5 Ų | 66.5 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 7.1 | -176.1 | 75.1 | -173.8 | 0 | 0 | 0 | 113.8 | Q463 E466 L467 L485 Q487 L491 V496 | Q463-I489 HydrophobicContact CG-CB 4.33Å; Q463-I489 WeakPolarHBondContact CG-O 3.34Å; Q463-I489 PolarHBondContact NE2-O 3.24Å; E466-I489 HydrophobicContact CB-CG2 3.71Å; E466-I489 HydrophobicContact CG-CG2 4.36Å; L467-I489 HydrophobicContact CD1-CD1 4.13Å; L467-I489 HydrophobicContact CD2-CD1 3.58Å; L467-I489 HydrophobicContact CG-CD1 3.62Å; L485-I489 HydrophobicContact CD1-CG2 4.12Å; L485-I489 HydrophobicContact CG-CD1 4.23Å; L485-I489 VanDerWaalsContact O-CG1 3.31Å; L485-I489 WeakPolarHBondContact O-CG1 3.41Å; L485-I489 PolarHBondContact O-N 3.31Å; L485-I489 VanDerWaalsContact O-N 3.11Å; Q487-I489 VanDerWaalsContact C-N 3.29Å; Q487-I489 PolarHBondContact O-N 3.28Å; I489-L491 HydrophobicContact CD1-CB 4.41Å; I489-L491 HydrophobicContact CD1-CD1 3.78Å; I489-L491 HydrophobicContact CD1-CG 4.24Å; I489-L491 HydrophobicContact CG1-CB 4.05Å; I489-L491 HydrophobicContact CG1-CD1 4.06Å; I489-L491 HydrophobicContact CG1-CG 3.95Å; I489-L491 PolarHBondContact O-N 3.48Å; I489-V496 HydrophobicContact CD1-CG2 4.22Å |
| 490 | N | 97.1 | Very high | 97.5 | Very high | 121 Ų | 121 | 63.9 Ų | 63.9 | 65% | 0.647 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 49.9 | -177 | -66.4 | -76.4 | 0 | 0 | 0 | 113.7 | S486 Q487 | S486-N490 PolarHBondContact O-N 3.5Å; S486-N490 VanDerWaalsContact O-N 3.09Å; Q487-N490 PolarHBondContact O-N 3.27Å |
| 491 | L | 96.4 | Very high | 97.5 | Very high | 23 Ų | 23 | 64.6 Ų | 64.6 | 12% | 0.12 | 32% | 0.322 | C | S | . | . | | | trans | -123 | 166.3 | 170.3 | -68 | -177.3 | 0 | 0 | 0 | 110.4 | F459 L467 S486 I489 Q495 V496 | F459-L491 HydrophobicContact CD1-CD1 3.63Å; F459-L491 HydrophobicContact CD1-CD2 3.66Å; F459-L491 HydrophobicContact CD1-CG 4.33Å; F459-L491 HydrophobicContact CE1-CD1 3.65Å; F459-L491 HydrophobicContact CE1-CD2 3.69Å; F459-L491 HydrophobicContact CE1-CG 4.34Å; F459-L491 HydrophobicContact CG-CD1 4.32Å; F459-L491 HydrophobicContact CZ-CD1 4.36Å; L467-L491 HydrophobicContact CD1-CD1 4.1Å; S486-L491 CarbonylContact C-O 3.47Å; S486-L491 WeakPolarHBondContact CB-O 3.35Å; S486-L491 PolarHBondContact O-N 2.92Å; I489-L491 HydrophobicContact CD1-CB 4.41Å; I489-L491 HydrophobicContact CD1-CD1 3.78Å; I489-L491 HydrophobicContact CD1-CG 4.24Å; I489-L491 HydrophobicContact CG1-CB 4.05Å; I489-L491 HydrophobicContact CG1-CD1 4.06Å; I489-L491 HydrophobicContact CG1-CG 3.95Å; I489-L491 PolarHBondContact O-N 3.48Å; L491-Q495 HydrophobicContact CB-CB 4.32Å; L491-V496 HydrophobicContact CB-CG2 4.35Å |
| 492 | T | 97.4 | Very high | 97.5 | Very high | 67 Ų | 67 | 66.7 Ų | 66.7 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | | | trans | -77.6 | 150.3 | 170.3 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | T494 Q495 V496 | T492-T494 PolarHBondContact O-N 2.96Å; T492-T494 VanDerWaalsContact O-N 3.08Å; T492-Q495 PolarHBondContact O-N 3.34Å; T492-Q495 WeakPolarHBondContact OG1-CG 3.49Å; T492-Q495 PolarHBondContact OG1-N 3.13Å; T492-Q495 VanDerWaalsContact OG1-N 3.13Å; T492-Q495 PolarHBondContact OG1-OE1 3.36Å; T492-V496 PolarHBondContact O-N 2.99Å; T492-V496 VanDerWaalsContact O-N 3.09Å |
| 493 | P | 98 | Very high | 97.5 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -52.8 | -31.8 | 171.3 | -25.8 | 31.5 | 0 | 0 | 0 | 113 | R482 S486 V496 K497 | R482-P493 VanDerWaalsContact CD-O 3.32Å; R482-P493 WeakPolarHBondContact CD-O 3.47Å; R482-P493 HydrophobicContact CG-CB 4.37Å; S486-P493 WeakPolarHBondContact OG-CD 3.49Å; S486-P493 WeakPolarHBondContact OG-CG 3.39Å; P493-V496 PolarHBondContact O-N 3.32Å; P493-K497 WeakPolarHBondContact O-CB 3.47Å; P493-K497 PolarHBondContact O-N 2.79Å |
| 494 | T | 97.5 | Very high | 97.5 | Very high | 89 Ų | 89 | 64.3 Ų | 64.3 | 55% | 0.546 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.1 | -41 | 176 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | T492 K497 I498 | T492-T494 PolarHBondContact O-N 2.96Å; T492-T494 VanDerWaalsContact O-N 3.08Å; T494-K497 PolarHBondContact O-N 2.93Å; T494-I498 HydrophobicContact CG2-CD1 3.96Å; T494-I498 VanDerWaalsContact O-CG1 3.29Å; T494-I498 WeakPolarHBondContact O-CG1 3.4Å; T494-I498 PolarHBondContact O-N 3.46Å |
| 495 | Q | 97.1 | Very high | 97.4 | Very high | 58 Ų | 58 | 64.4 Ų | 64.4 | 27% | 0.271 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 172.8 | -77.9 | 160.4 | -61.2 | 0 | 0 | 111.3 | F459 L491 T492 I498 W499 | F459-Q495 HydrophobicContact CE1-CB 4.22Å; F459-Q495 HydrophobicContact CE1-CG 4.28Å; F459-Q495 HydrophobicContact CZ-CB 4.16Å; F459-Q495 HydrophobicContact CZ-CG 4.36Å; L491-Q495 HydrophobicContact CB-CB 4.32Å; T492-Q495 PolarHBondContact O-N 3.34Å; T492-Q495 WeakPolarHBondContact OG1-CG 3.49Å; T492-Q495 PolarHBondContact OG1-N 3.13Å; T492-Q495 VanDerWaalsContact OG1-N 3.13Å; T492-Q495 PolarHBondContact OG1-OE1 3.36Å; Q495-I498 PolarHBondContact O-N 3.09Å; Q495-W499 WeakPolarHBondContact O-CB 3.32Å; Q495-W499 PolarHBondContact O-N 2.85Å |
| 496 | V | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.2 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | L467 L477 R482 L485 I489 L491 T492 P493 I498 W499 F500 | L467-V496 HydrophobicContact CD2-CG1 4.18Å; L467-V496 HydrophobicContact CD2-CG2 4.35Å; L477-V496 HydrophobicContact CD1-CG1 3.84Å; R482-V496 HydrophobicContact CG-CB 4Å; R482-V496 HydrophobicContact CG-CG1 3.83Å; L485-V496 HydrophobicContact CD2-CG1 3.92Å; I489-V496 HydrophobicContact CD1-CG2 4.22Å; L491-V496 HydrophobicContact CB-CG2 4.35Å; T492-V496 PolarHBondContact O-N 2.99Å; T492-V496 VanDerWaalsContact O-N 3.09Å; P493-V496 PolarHBondContact O-N 3.32Å; V496-I498 PolarHBondContact O-N 3.08Å; V496-W499 PolarHBondContact O-N 3.49Å; V496-F500 HydrophobicContact CG1-CD2 3.77Å; V496-F500 HydrophobicContact CG1-CE2 3.93Å; V496-F500 WeakPolarHBondContact O-CB 3.4Å; V496-F500 WeakPolarHBondContact O-CD2 3.49Å; V496-F500 PolarHBondContact O-N 3.09Å |
| 497 | K | 97.7 | Very high | 97.1 | Very high | 114 Ų | 114 | 73 Ų | 73 | 50% | 0.496 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.4 | -47.8 | 176.2 | -173.6 | -179.8 | 176.6 | -177.6 | 0 | 112.2 | P493 T494 Q501 | P493-K497 WeakPolarHBondContact O-CB 3.47Å; P493-K497 PolarHBondContact O-N 2.79Å; T494-K497 PolarHBondContact O-N 2.93Å; K497-Q501 WeakPolarHBondContact O-CB 3.5Å; K497-Q501 PolarHBondContact O-N 3.23Å |
| 498 | I | 97.3 | Very high | 97 | Very high | 87 Ų | 87 | 74.1 Ų | 74.1 | 45% | 0.446 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | -179.8 | -69.8 | 166.9 | 0 | 0 | 0 | 110.7 | T494 Q495 V496 Q501 N502 | T494-I498 HydrophobicContact CG2-CD1 3.96Å; T494-I498 VanDerWaalsContact O-CG1 3.29Å; T494-I498 WeakPolarHBondContact O-CG1 3.4Å; T494-I498 PolarHBondContact O-N 3.46Å; Q495-I498 PolarHBondContact O-N 3.09Å; V496-I498 PolarHBondContact O-N 3.08Å; I498-Q501 WeakPolarHBondContact O-CB 3.17Å; I498-Q501 PolarHBondContact O-N 2.88Å; I498-N502 WeakPolarHBondContact O-CB 3.31Å; I498-N502 VanDerWaalsContact O-CG 3.25Å; I498-N502 PolarHBondContact O-N 3.08Å |
| 499 | W | 97.8 | Very high | 96.8 | Very high | 30 Ų | 30 | 75.4 Ų | 75.4 | 11% | 0.114 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 177.4 | -173.3 | 102.8 | 0 | 0 | 0 | 111.2 | F459 L467 E468 F471 Q495 V496 Q501 N502 H503 | F459-W499 AromaticContact CD2-CD1 3.93Å; F459-W499 HydrophobicContact CE2-CB 4.49Å; F459-W499 AromaticContact CE2-CD1 3.79Å; L467-W499 VanDerWaalsContact C-CH2 3.43Å; L467-W499 HydrophobicContact CB-CD2 3.85Å; L467-W499 HydrophobicContact CB-CE3 3.87Å; L467-W499 HydrophobicContact CB-CH2 3.71Å; L467-W499 HydrophobicContact CB-CZ2 3.67Å; L467-W499 HydrophobicContact CB-CZ3 3.82Å; L467-W499 HydrophobicContact CD1-CB 4.47Å; L467-W499 HydrophobicContact CD1-CD2 3.93Å; L467-W499 HydrophobicContact CD1-CG 3.83Å; L467-W499 HydrophobicContact CD2-CD2 4.19Å; L467-W499 HydrophobicContact CD2-CE3 4.07Å; L467-W499 HydrophobicContact CD2-CG 4.46Å; L467-W499 HydrophobicContact CG-CD2 4.21Å; L467-W499 HydrophobicContact CG-CE3 4.39Å; L467-W499 WeakPolarHBondContact O-CH2 3.23Å; L467-W499 WeakPolarHBondContact O-CZ3 3.47Å; E468-W499 HydrophobicContact CB-CH2 4.41Å; E468-W499 HydrophobicContact CG-CH2 3.7Å; E468-W499 HydrophobicContact CG-CZ2 3.57Å; F471-W499 HydrophobicContact CB-CH2 3.98Å; F471-W499 HydrophobicContact CB-CZ3 3.83Å; F471-W499 HydrophobicContact CD2-CZ3 4.21Å; F471-W499 HydrophobicContact CG-CH2 4.38Å; F471-W499 HydrophobicContact CG-CZ3 4.13Å; Q495-W499 WeakPolarHBondContact O-CB 3.32Å; Q495-W499 PolarHBondContact O-N 2.85Å; V496-W499 PolarHBondContact O-N 3.49Å; W499-Q501 VanDerWaalsContact C-N 3.25Å; W499-Q501 PolarHBondContact O-N 3.46Å; W499-N502 PolarHBondContact O-N 3.35Å; W499-H503 HydrophobicContact CE3-CB 4.19Å; W499-H503 HydrophobicContact CH2-CB 4.06Å; W499-H503 AromaticContact CH2-CE1 3.81Å; W499-H503 AromaticContact CH2-CG 3.74Å; W499-H503 AromaticContact CH2-ND1 3.01Å; W499-H503 WeakPolarHBondContact CH2-ND1 3.35Å; W499-H503 HydrophobicContact CZ2-CB 4.48Å; W499-H503 AromaticContact CZ2-ND1 3.23Å; W499-H503 WeakPolarHBondContact CZ2-ND1 3.42Å; W499-H503 HydrophobicContact CZ3-CB 3.9Å; W499-H503 AromaticContact CZ3-ND1 3.76Å; W499-H503 WeakPolarHBondContact O-CB 3.15Å; W499-H503 PolarHBondContact O-N 3.47Å |
| 500 | F | 98.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 77.3 Ų | 77.3 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.6 | -27 | 176.2 | -90.5 | -106.3 | 0 | 0 | 0 | 113 | L467 R470 F471 Q474 L477 L485 V496 R504 | L467-F500 HydrophobicContact CD2-CD2 4.33Å; L467-F500 HydrophobicContact CD2-CE2 3.88Å; R470-F500 HydrophobicContact CB-CZ 4.28Å; R470-F500 HydrophobicContact CG-CZ 4.24Å; F471-F500 HydrophobicContact CB-CE1 4.19Å; F471-F500 HydrophobicContact CB-CZ 4.23Å; F471-F500 AromaticContact CD2-CD1 3.66Å; F471-F500 HydrophobicContact CD2-CD1 3.66Å; F471-F500 AromaticContact CD2-CE1 3.67Å; F471-F500 HydrophobicContact CD2-CE1 3.67Å; F471-F500 HydrophobicContact CD2-CG 4.41Å; F471-F500 HydrophobicContact CD2-CZ 4.41Å; F471-F500 HydrophobicContact CE2-CD1 4.24Å; F471-F500 HydrophobicContact CG-CE1 4.45Å; Q474-F500 WeakPolarHBondContact O-CE1 3.27Å; L477-F500 HydrophobicContact CD1-CD1 4.33Å; L477-F500 HydrophobicContact CD1-CD2 4.13Å; L477-F500 HydrophobicContact CD1-CE1 3.91Å; L477-F500 HydrophobicContact CD1-CE2 3.72Å; L477-F500 HydrophobicContact CD1-CG 4.45Å; L477-F500 HydrophobicContact CD1-CZ 3.61Å; L477-F500 HydrophobicContact CD2-CE1 3.96Å; L477-F500 HydrophobicContact CD2-CZ 4.13Å; L477-F500 HydrophobicContact CG-CD1 3.95Å; L477-F500 HydrophobicContact CG-CE1 3.58Å; L477-F500 HydrophobicContact CG-CE2 4.32Å; L477-F500 HydrophobicContact CG-CG 4.48Å; L477-F500 HydrophobicContact CG-CZ 3.81Å; L485-F500 HydrophobicContact CD2-CE2 3.85Å; L485-F500 HydrophobicContact CD2-CZ 4.16Å; V496-F500 HydrophobicContact CG1-CD2 3.77Å; V496-F500 HydrophobicContact CG1-CE2 3.93Å; V496-F500 WeakPolarHBondContact O-CB 3.4Å; V496-F500 WeakPolarHBondContact O-CD2 3.49Å; V496-F500 PolarHBondContact O-N 3.09Å; F500-R504 WeakPolarHBondContact O-CG 3.49Å; F500-R504 PolarHBondContact O-N 2.73Å; F500-R504 PolarHBondContact O-NE 3.4Å |
| 501 | Q | 97.6 | Very high | 96 | Very high | 108 Ų | 108 | 77.3 Ų | 77.3 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -74.1 | -46.4 | 172.2 | -175.8 | 170.7 | -4 | 0 | 0 | 111.6 | K497 I498 W499 R504 Y505 | K497-Q501 WeakPolarHBondContact O-CB 3.5Å; K497-Q501 PolarHBondContact O-N 3.23Å; I498-Q501 WeakPolarHBondContact O-CB 3.17Å; I498-Q501 PolarHBondContact O-N 2.88Å; W499-Q501 VanDerWaalsContact C-N 3.25Å; W499-Q501 PolarHBondContact O-N 3.46Å; Q501-R504 PolarHBondContact O-N 3.02Å; Q501-Y505 WeakPolarHBondContact O-CB 3.43Å; Q501-Y505 PolarHBondContact O-N 3.29Å |
| 502 | N | 97.8 | Very high | 95.5 | Very high | 98 Ų | 98 | 82.7 Ų | 82.7 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 177.7 | -68.3 | -12.5 | 0 | 0 | 0 | 111.9 | I498 W499 Y505 K506 | I498-N502 WeakPolarHBondContact O-CB 3.31Å; I498-N502 VanDerWaalsContact O-CG 3.25Å; I498-N502 PolarHBondContact O-N 3.08Å; W499-N502 PolarHBondContact O-N 3.35Å; N502-Y505 WeakPolarHBondContact O-CB 3.48Å; N502-Y505 PolarHBondContact O-N 2.8Å; N502-K506 PolarHBondContact O-N 3.46Å |
| 503 | H | 97.3 | Very high | 94.8 | Very high | 38 Ų | 38 | 83.6 Ų | 83.6 | 18% | 0.176 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.6 | -46 | 178.6 | -156.4 | 120.1 | 0 | 0 | 0 | 111.4 | E468 F471 W499 Y505 K506 C507 | E468-H503 IonicContact OE1-CE1 3.03Å; F471-H503 AromaticContact CD1-CD2 3.36Å; F471-H503 WeakPolarHBondContact CD1-CD2 3.23Å; F471-H503 AromaticContact CD1-CG 3.86Å; F471-H503 AromaticContact CD1-NE2 3.52Å; F471-H503 HydrophobicContact CD2-CB 4.4Å; F471-H503 HydrophobicContact CE1-CB 4.47Å; F471-H503 AromaticContact CE1-CD2 3.09Å; F471-H503 WeakPolarHBondContact CE1-CD2 3.01Å; F471-H503 AromaticContact CE1-CG 3.87Å; F471-H503 AromaticContact CE1-NE2 3.59Å; F471-H503 HydrophobicContact CE2-CB 4.25Å; F471-H503 HydrophobicContact CZ-CB 4.27Å; F471-H503 AromaticContact CZ-CD2 3.64Å; W499-H503 HydrophobicContact CE3-CB 4.19Å; W499-H503 HydrophobicContact CH2-CB 4.06Å; W499-H503 AromaticContact CH2-CE1 3.81Å; W499-H503 AromaticContact CH2-CG 3.74Å; W499-H503 AromaticContact CH2-ND1 3.01Å; W499-H503 WeakPolarHBondContact CH2-ND1 3.35Å; W499-H503 HydrophobicContact CZ2-CB 4.48Å; W499-H503 AromaticContact CZ2-ND1 3.23Å; W499-H503 WeakPolarHBondContact CZ2-ND1 3.42Å; W499-H503 HydrophobicContact CZ3-CB 3.9Å; W499-H503 AromaticContact CZ3-ND1 3.76Å; W499-H503 WeakPolarHBondContact O-CB 3.15Å; W499-H503 PolarHBondContact O-N 3.47Å; H503-Y505 VanDerWaalsContact C-N 3.26Å; H503-Y505 PolarHBondContact O-N 2.85Å; H503-K506 WeakPolarHBondContact O-CB 3.18Å; H503-K506 PolarHBondContact O-N 3.43Å; H503-K506 VanDerWaalsContact O-N 3.14Å; H503-C507 PolarHBondContact O-N 3.26Å; H503-C507 PolarHBondContact O-SG 3.5Å; H503-C507 VanDerWaalsContact O-SG 3.41Å |
| 504 | R | 97.3 | Very high | 94 | Very high | 79 Ų | 79 | 88.5 Ų | 88.5 | 30% | 0.298 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.8 | -39.5 | 171.3 | -77.2 | 177.5 | -70.3 | 154.6 | 1.7 | 112.4 | F471 K475 F500 Q501 C507 K508 | F471-R504 HydrophobicContact CE2-CG 3.76Å; F471-R504 HydrophobicContact CZ-CG 3.84Å; K475-R504 WeakPolarHBondContact O-CD 3.31Å; F500-R504 WeakPolarHBondContact O-CG 3.49Å; F500-R504 PolarHBondContact O-N 2.73Å; F500-R504 PolarHBondContact O-NE 3.4Å; Q501-R504 PolarHBondContact O-N 3.02Å; R504-C507 PolarHBondContact O-N 2.96Å; R504-K508 PolarHBondContact O-N 2.84Å |
| 505 | Y | 97.1 | Very high | 93 | Very high | 125 Ų | 125 | 89.9 Ų | 89.9 | 49% | 0.49 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 177.1 | -172.2 | -105.2 | 0 | 0 | 0 | 112.3 | Q501 N502 H503 K508 R509 | Q501-Y505 WeakPolarHBondContact O-CB 3.43Å; Q501-Y505 PolarHBondContact O-N 3.29Å; N502-Y505 WeakPolarHBondContact O-CB 3.48Å; N502-Y505 PolarHBondContact O-N 2.8Å; H503-Y505 VanDerWaalsContact C-N 3.26Å; H503-Y505 PolarHBondContact O-N 2.85Å; Y505-K508 PolarHBondContact O-N 3.24Å; Y505-R509 HydrophobicContact CE1-CG 4.44Å; Y505-R509 PolarHBondContact O-N 3.38Å; Y505-R509 PolarHBondContact OH-NE 3.3Å; Y505-R509 PolarHBondContact OH-NH2 3.24Å |
| 506 | K | 95.6 | Very high | 91.9 | Very high | 146 Ų | 146 | 90.2 Ų | 90.2 | 64% | 0.635 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.1 | -47.2 | 172.7 | -170.5 | -176.1 | 178.1 | -171.6 | 0 | 111.6 | N502 H503 K508 R509 A510 | N502-K506 PolarHBondContact O-N 3.46Å; H503-K506 WeakPolarHBondContact O-CB 3.18Å; H503-K506 PolarHBondContact O-N 3.43Å; H503-K506 VanDerWaalsContact O-N 3.14Å; K506-K508 PolarHBondContact O-N 3.16Å; K506-R509 PolarHBondContact O-N 3.46Å; K506-A510 PolarHBondContact O-N 2.93Å |
| 507 | C | 93.5 | Very high | 90.5 | Very high | 50 Ų | 50 | 92.9 Ų | 92.9 | 34% | 0.338 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 176.1 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | H503 R504 R509 A510 Q511 | H503-C507 PolarHBondContact O-N 3.26Å; H503-C507 PolarHBondContact O-SG 3.5Å; H503-C507 VanDerWaalsContact O-SG 3.41Å; R504-C507 PolarHBondContact O-N 2.96Å; C507-R509 VanDerWaalsContact C-N 3.32Å; C507-R509 PolarHBondContact O-N 2.92Å; C507-A510 PolarHBondContact O-N 2.96Å; C507-Q511 WeakPolarHBondContact O-CG 3.41Å; C507-Q511 PolarHBondContact O-N 3.26Å |
| 508 | K | 94.1 | Very high | 88.9 | Confident | 141 Ų | 141 | 91 Ų | 91 | 61% | 0.613 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.6 | -31.8 | -179.3 | -166.2 | 175.7 | 71.6 | 166.3 | 0 | 113 | R504 Y505 K506 K512 | R504-K508 PolarHBondContact O-N 2.84Å; Y505-K508 PolarHBondContact O-N 3.24Å; K506-K508 PolarHBondContact O-N 3.16Å; K508-K512 PolarHBondContact O-N 3.43Å |
| 509 | R | 92.3 | Very high | 87.2 | Confident | 136 Ų | 136 | 92.7 Ų | 92.7 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.8 | -55.4 | 169.5 | -80.4 | -174.8 | 170.8 | -121.5 | 5 | 110.7 | Y505 K506 C507 Q511 K512 D513 | Y505-R509 HydrophobicContact CE1-CG 4.44Å; Y505-R509 PolarHBondContact O-N 3.38Å; Y505-R509 PolarHBondContact OH-NE 3.3Å; Y505-R509 PolarHBondContact OH-NH2 3.24Å; K506-R509 PolarHBondContact O-N 3.46Å; C507-R509 VanDerWaalsContact C-N 3.32Å; C507-R509 PolarHBondContact O-N 2.92Å; R509-Q511 PolarHBondContact O-N 3.42Å; R509-K512 CarbonylContact O-C 3.59Å; R509-K512 WeakPolarHBondContact O-CA 3.44Å; R509-K512 PolarHBondContact O-N 2.89Å; R509-D513 PolarHBondContact O-N 3.02Å; R509-D513 VanDerWaalsContact O-OD2 3.06Å |
| 510 | A | 90.5 | Very high | 85.4 | Confident | 52 Ų | 52 | 94.2 Ų | 94.2 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.7 | -26.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K506 C507 K514 | K506-A510 PolarHBondContact O-N 2.93Å; C507-A510 PolarHBondContact O-N 2.96Å; A510-K514 WeakPolarHBondContact O-CG 3.38Å; A510-K514 PolarHBondContact O-N 3.35Å |
| 511 | Q | 87.7 | Confident | 83.5 | Confident | 121 Ų | 121 | 99.1 Ų | 99.1 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68 | -53.2 | 169.1 | -73 | 173.2 | -47.4 | 0 | 0 | 111.6 | C507 R509 D513 K514 E515 | C507-Q511 WeakPolarHBondContact O-CG 3.41Å; C507-Q511 PolarHBondContact O-N 3.26Å; R509-Q511 PolarHBondContact O-N 3.42Å; Q511-D513 VanDerWaalsContact C-N 3.3Å; Q511-D513 PolarHBondContact O-N 3.49Å; Q511-K514 WeakPolarHBondContact O-CB 3.49Å; Q511-K514 PolarHBondContact O-N 2.95Å; Q511-E515 WeakPolarHBondContact O-CG 3.48Å; Q511-E515 PolarHBondContact O-N 2.72Å |
| 512 | K | 86.4 | Confident | 81.5 | Confident | 136 Ų | 136 | 101.5 Ų | 101.5 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.1 | -34.3 | 179.1 | -158.1 | -140.9 | 170.8 | -147.1 | 0 | 113.1 | K508 R509 K514 E515 S516 | K508-K512 PolarHBondContact O-N 3.43Å; R509-K512 CarbonylContact O-C 3.59Å; R509-K512 WeakPolarHBondContact O-CA 3.44Å; R509-K512 PolarHBondContact O-N 2.89Å; K512-K514 VanDerWaalsContact C-N 3.31Å; K512-K514 PolarHBondContact O-N 3.47Å; K512-E515 WeakPolarHBondContact O-CB 3.4Å; K512-E515 PolarHBondContact O-N 3.34Å; K512-S516 PolarHBondContact O-N 2.96Å; K512-S516 VanDerWaalsContact O-N 3.07Å; K512-S516 PolarHBondContact O-OG 3.18Å |
| 513 | D | 83.1 | Confident | 79.4 | Confident | 86 Ų | 86 | 103 Ų | 103 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 179.9 | -56.6 | -30.3 | 0 | 0 | 0 | 110.1 | R509 Q511 S516 S517 | R509-D513 PolarHBondContact O-N 3.02Å; R509-D513 VanDerWaalsContact O-OD2 3.06Å; Q511-D513 VanDerWaalsContact C-N 3.3Å; Q511-D513 PolarHBondContact O-N 3.49Å; D513-S516 WeakPolarHBondContact CA-OG 3.43Å; D513-S516 PolarHBondContact O-N 3.08Å; D513-S516 PolarHBondContact O-OG 3.05Å; D513-S517 PolarHBondContact O-N 2.67Å |
| 514 | K | 80.6 | Confident | 77.1 | Confident | 157 Ų | 157 | 105.4 Ų | 105.4 | 68% | 0.683 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.3 | -40.8 | 169.8 | -76.4 | -173.3 | 171.9 | -156.5 | 0 | 113.4 | A510 Q511 K512 S516 S517 S518 | A510-K514 WeakPolarHBondContact O-CG 3.38Å; A510-K514 PolarHBondContact O-N 3.35Å; Q511-K514 WeakPolarHBondContact O-CB 3.49Å; Q511-K514 PolarHBondContact O-N 2.95Å; K512-K514 VanDerWaalsContact C-N 3.31Å; K512-K514 PolarHBondContact O-N 3.47Å; K514-S516 PolarHBondContact O-N 3.25Å; K514-S517 PolarHBondContact O-N 2.67Å; K514-S517 PolarHBondContact O-OG 3.03Å; K514-S517 VanDerWaalsContact O-OG 3.09Å; K514-S518 PolarHBondContact O-N 3.42Å; K514-S518 VanDerWaalsContact O-N 3.14Å; K514-S518 PolarHBondContact O-OG 3.26Å |
| 515 | E | 76.8 | Confident | 74.7 | Confident | 118 Ų | 118 | 107.3 Ų | 107.3 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.5 | -31.6 | 174.6 | -68.9 | 163 | -171.7 | 0 | 0 | 111.8 | Q511 K512 S518 I519 | Q511-E515 WeakPolarHBondContact O-CG 3.48Å; Q511-E515 PolarHBondContact O-N 2.72Å; K512-E515 WeakPolarHBondContact O-CB 3.4Å; K512-E515 PolarHBondContact O-N 3.34Å; E515-S518 PolarHBondContact O-OG 3.22Å; E515-I519 VanDerWaalsContact O-CD1 3.32Å; E515-I519 WeakPolarHBondContact O-CD1 3.46Å; E515-I519 WeakPolarHBondContact O-CG1 3.44Å |
| 516 | S | 73.2 | Confident | 72.3 | Confident | 66 Ų | 66 | 106 Ų | 106 | 46% | 0.462 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -77.2 | -37.2 | 173.3 | 40.4 | 0 | 0 | 0 | 0 | 114.6 | K512 D513 K514 I519 | K512-S516 PolarHBondContact O-N 2.96Å; K512-S516 VanDerWaalsContact O-N 3.07Å; K512-S516 PolarHBondContact O-OG 3.18Å; D513-S516 WeakPolarHBondContact CA-OG 3.43Å; D513-S516 PolarHBondContact O-N 3.08Å; D513-S516 PolarHBondContact O-OG 3.05Å; K514-S516 PolarHBondContact O-N 3.25Å; S516-I519 PolarHBondContact O-N 2.97Å |
| 517 | S | 69.2 | Low | 69.9 | Low | 56 Ų | 56 | 103 Ų | 103 | 39% | 0.392 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71.8 | -34.9 | -179.2 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | D513 K514 I519 S520 | D513-S517 PolarHBondContact O-N 2.67Å; K514-S517 PolarHBondContact O-N 2.67Å; K514-S517 PolarHBondContact O-OG 3.03Å; K514-S517 VanDerWaalsContact O-OG 3.09Å; S517-I519 PolarHBondContact O-N 3.42Å; S517-S520 PolarHBondContact O-N 3.09Å; S517-S520 PolarHBondContact O-OG 2.84Å |
| 518 | S | 62.7 | Low | 67.6 | Low | 73 Ų | 73 | 107.7 Ų | 107.7 | 51% | 0.51 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.9 | -8.4 | 175.4 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | K514 E515 | K514-S518 PolarHBondContact O-N 3.42Å; K514-S518 VanDerWaalsContact O-N 3.14Å; K514-S518 PolarHBondContact O-OG 3.26Å; E515-S518 PolarHBondContact O-OG 3.22Å |
| 519 | I | 62 | Low | 65.4 | Low | 124 Ų | 124 | 106.7 Ų | 106.7 | 64% | 0.636 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -98.9 | -28.7 | 179.7 | -65.7 | 175.2 | 0 | 0 | 0 | 111.8 | E515 S516 S517 | E515-I519 VanDerWaalsContact O-CD1 3.32Å; E515-I519 WeakPolarHBondContact O-CD1 3.46Å; E515-I519 WeakPolarHBondContact O-CG1 3.44Å; S516-I519 PolarHBondContact O-N 2.97Å; S517-I519 PolarHBondContact O-N 3.42Å |
| 520 | S | 60.6 | Low | 63.2 | Low | 61 Ų | 61 | 108.7 Ų | 108.7 | 43% | 0.427 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.9 | -36.9 | 176.4 | 45.2 | 0 | 0 | 0 | 0 | 112.9 | S517 H522 S524 | S517-S520 PolarHBondContact O-N 3.09Å; S517-S520 PolarHBondContact O-OG 2.84Å; S520-H522 VanDerWaalsContact C-N 3.32Å; S520-H522 PolarHBondContact O-N 2.83Å; S520-S524 PolarHBondContact O-OG 3.12Å |
| 521 | D | 58.1 | Low | 60.8 | Low | 111 Ų | 111 | 113.4 Ų | 113.4 | 59% | 0.594 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -10.8 | -161 | -58 | -1.1 | 0 | 0 | 0 | 112.7 | | |
| 522 | H | 56.3 | Low | 58.7 | Low | 157 Ų | 157 | 115.1 Ų | 115.1 | 73% | 0.727 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -11.7 | 177.7 | -74 | -42.4 | 0 | 0 | 0 | 115.3 | S520 | S520-H522 VanDerWaalsContact C-N 3.32Å; S520-H522 PolarHBondContact O-N 2.83Å |
| 523 | H | 53.3 | Low | 56.5 | Low | 130 Ų | 130 | 120.6 Ų | 120.6 | 60% | 0.602 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -9.6 | 176.9 | -146.4 | -47.8 | 0 | 0 | 0 | 113.4 | T525 | H523-T525 VanDerWaalsContact C-N 3.34Å; H523-T525 PolarHBondContact O-N 3.22Å |
| 524 | S | 47.8 | Very low | 54.2 | Low | 89 Ų | 89 | 124 Ų | 124 | 62% | 0.622 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -4.2 | -174.2 | -59.9 | 0 | 0 | 0 | 0 | 114.7 | S520 | S520-S524 PolarHBondContact O-OG 3.12Š|
| 525 | T | 48.5 | Very low | 52.4 | Low | 118 Ų | 118 | 124.2 Ų | 124.2 | 72% | 0.724 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | -5.2 | -168.8 | -34.2 | 0 | 0 | 0 | 0 | 114.1 | H523 | H523-T525 VanDerWaalsContact C-N 3.34Å; H523-T525 PolarHBondContact O-N 3.22Å |
| 526 | T | 46.5 | Very low | 50.8 | Low | 97 Ų | 97 | 123.9 Ų | 123.9 | 60% | 0.595 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -122.1 | 2.9 | -174.9 | 42.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 527 | T | 45.5 | Very low | 49.4 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 52% | 0.521 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -114 | 51.3 | 179.4 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 528 | N | 45 | Very low | 48.2 | Very low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -142.2 | 16 | 174.9 | -88.9 | -56.4 | 0 | 0 | 0 | 113.7 | | |
| 529 | T | 47.4 | Very low | 47.1 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -144.3 | 26.5 | -174.2 | 50.4 | 0 | 0 | 0 | 0 | 114 | | |
| 530 | M | 45.3 | Very low | 46.1 | Very low | 179 Ų | 179 | 136 Ų | 136 | 88% | 0.882 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -130.2 | 45.6 | -175.6 | -73 | -73 | -78.2 | 0 | 0 | 113 | | |
| 531 | D | 39.8 | Very low | 44.9 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -148.4 | 165.2 | 161 | -151 | -22.8 | 0 | 0 | 0 | 109.3 | | |
| 532 | L | 44.4 | Very low | 43.8 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 63.7 | 53 | -177.1 | -53.6 | -179.6 | 0 | 0 | 0 | 116.4 | | |
| 533 | R | 39.8 | Very low | 42.8 | Very low | 251 Ų | 251 | 139.8 Ų | 139.8 | 95% | 0.947 | 76% | 0.761 | S | S | * | * | | | trans | -157.5 | 66.2 | 158.6 | -123.3 | 166.6 | -172.2 | 164 | 2.5 | 115.3 | | |
| 534 | N | 35.8 | Very low | 42.1 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | trans | -146.2 | 54.6 | 169.8 | -164.7 | 41.7 | 0 | 0 | 0 | 112.7 | | |
| 535 | D | 41.4 | Very low | 41.7 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | | | trans | -147.4 | 152.8 | 172.1 | -101.5 | -47.8 | 0 | 0 | 0 | 110.8 | | |
| 536 | S | 44.3 | Very low | 41.1 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | 55.6 | 88.2 | 174.9 | -68.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 537 | I | 44.4 | Very low | 40.9 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 80% | 0.795 | 79% | 0.79 | S | S | * | * | | | trans | -68.6 | 146.2 | 146.6 | -61.8 | 170.5 | 0 | 0 | 0 | 108.6 | | |
| 538 | N | 42.4 | Very low | 40.5 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | | | trans | 71.1 | 129.5 | -173.2 | -45.5 | -52.8 | 0 | 0 | 0 | 113 | | |
| 539 | S | 41.1 | Very low | 39.9 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | cis | -156.4 | 163.4 | 39.8 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 540 | N | 40.5 | Very low | 39.3 | Very low | 165 Ų | 165 | 147 Ų | 147 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -78.9 | 136.9 | 180 | -44.5 | -73.6 | 0 | 0 | 0 | 113.1 | | |
| 541 | H | 36 | Very low | 39 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | | | trans | -156.9 | 159.2 | 146 | -152.1 | -103.9 | 0 | 0 | 0 | 113.5 | | |
| 542 | L | 35.1 | Very low | 38.8 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | | | trans | -49.7 | 146.5 | -174.9 | -76.2 | 51 | 0 | 0 | 0 | 114.1 | | |
| 543 | S | 34.1 | Very low | 38.5 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | cis | 79.4 | 94.3 | 40.1 | -176.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 544 | I | 39.4 | Very low | 38.5 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | | | trans | -164.4 | 102.3 | 153.7 | -90.3 | 140.9 | 0 | 0 | 0 | 103.8 | | |
| 545 | Q | 40.1 | Very low | 38.7 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | | 66.2 | 120.4 | 87.4 | -75.5 | -162.6 | -3 | 0 | 0 | 116.4 | | |
| 546 | N | 34.2 | Very low | 38.7 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | 57.6 | 117.4 | 151 | -48.3 | -17.4 | 0 | 0 | 0 | 117.2 | | |
| 547 | T | 43.1 | Very low | 38.7 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | | | | -155.3 | 155.4 | 74.7 | 38.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 548 | T | 36 | Very low | 38.6 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -28.9 | 145.2 | 168.4 | 46.5 | 0 | 0 | 0 | 0 | 121 | | |
| 549 | S | 33.1 | Very low | 38.5 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | 82.3 | 148.3 | 142.5 | 77 | 0 | 0 | 0 | 0 | 121 | | |
| 550 | S | 35.7 | Very low | 38.4 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | 64.3 | 86.5 | 167.1 | -154.9 | 0 | 0 | 0 | 0 | 119 | | |
| 551 | I | 39.3 | Very low | 38.5 | Very low | 160 Ų | 160 | 141 Ų | 141 | 82% | 0.821 | 75% | 0.752 | S | S | * | * | | | trans | -127.8 | 54.1 | 147.1 | -44.1 | -179 | 0 | 0 | 0 | 109.6 | | |
| 552 | A | 35 | Very low | 38.8 | Very low | 74 Ų | 74 | 140.6 Ų | 140.6 | 61% | 0.612 | 75% | 0.751 | S | S | * | * | | | trans | -88.7 | 158.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 553 | T | 38.5 | Very low | 38.8 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | | | trans | 70.6 | 80.7 | 178.8 | -44.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 554 | T | 39.2 | Very low | 39.2 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -140.9 | 8.7 | 166.8 | -21.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 555 | L | 39.6 | Very low | 39.4 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -123.5 | -6 | 177.7 | -71.7 | 177.2 | 0 | 0 | 0 | 115.7 | | |
| 556 | F | 41.9 | Very low | 39.4 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -87.3 | -25.7 | -178.7 | -158.2 | -106.2 | 0 | 0 | 0 | 114.1 | | |
| 557 | N | 43 | Very low | 39.6 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -94.4 | 2.7 | -166.2 | -68.1 | -9.8 | 0 | 0 | 0 | 115.6 | R559 | N557-R559 PolarHBondContact O-N 3.45Š|
| 558 | R | 43.3 | Very low | 39.5 | Very low | 234 Ų | 234 | 148.4 Ų | 148.4 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 23 | -176 | -150.7 | 176.9 | 178.8 | 175.5 | -0.4 | 114.5 | | |
| 559 | R | 40.3 | Very low | 39.3 | Very low | 222 Ų | 222 | 150.7 Ų | 150.7 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | 7.2 | 177.4 | -151.1 | 73.9 | -168.8 | -144 | 4.1 | 114.2 | N557 | N557-R559 PolarHBondContact O-N 3.45Š|
| 560 | L | 39.2 | Very low | 39.5 | Very low | 144 Ų | 144 | 153.1 Ų | 153.1 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -128.3 | 28 | -179.4 | -75.1 | 168.1 | 0 | 0 | 0 | 113.4 | | |
| 561 | T | 42.2 | Very low | 39.4 | Very low | 102 Ų | 102 | 153.9 Ų | 153.9 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -126.7 | 21.1 | 178.2 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 562 | Q | 42 | Very low | 39.2 | Very low | 161 Ų | 161 | 152 Ų | 152 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -104.4 | -29.5 | 178.1 | -148.7 | 76.6 | 42.8 | 0 | 0 | 112.3 | | |
| 563 | D | 36.6 | Very low | 39 | Very low | 137 Ų | 137 | 156.3 Ų | 156.3 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -97.7 | 18.1 | -169.2 | -53.6 | -63.6 | 0 | 0 | 0 | 114.6 | | |
| 564 | L | 42.3 | Very low | 39.1 | Very low | 158 Ų | 158 | 157.3 Ų | 157.3 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -133.4 | 41.6 | -179.6 | -76.5 | 177 | 0 | 0 | 0 | 113.3 | | |
| 565 | L | 42.5 | Very low | 38.9 | Very low | 151 Ų | 151 | 158.6 Ų | 158.6 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -123.3 | -17.9 | 169.3 | -78.8 | 172.1 | 0 | 0 | 0 | 114.7 | N567 | L565-N567 PolarHBondContact O-N 2.87Š|
| 566 | D | 39.7 | Very low | 38.5 | Very low | 159 Ų | 159 | 156.9 Ų | 156.9 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -94.5 | 59.2 | 177.5 | -74.2 | -41.8 | 0 | 0 | 0 | 112.8 | | |
| 567 | N | 39.7 | Very low | 38.2 | Very low | 155 Ų | 155 | 155.2 Ų | 155.2 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -169.4 | 145.4 | 156.2 | -107 | -65.6 | 0 | 0 | 0 | 112.3 | L565 | L565-N567 PolarHBondContact O-N 2.87Š|
| 568 | R | 39.5 | Very low | 37.9 | Very low | 240 Ų | 240 | 155.3 Ų | 155.3 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | trans | 63.7 | 52.8 | 173.4 | -67.6 | -175.5 | 163.4 | -173.5 | -4.6 | 118.2 | | |
| 569 | L | 33.3 | Very low | 37.6 | Very low | 169 Ų | 169 | 151.7 Ų | 151.7 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | | | trans | -86.1 | 95.7 | 139.6 | -77.5 | 178.3 | 0 | 0 | 0 | 109.4 | | |
| 570 | L | 35.7 | Very low | 37.3 | Very low | 165 Ų | 165 | 148 Ų | 148 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | 179.1 | 92.3 | 146.4 | -122.4 | 71.9 | 0 | 0 | 0 | 111.3 | | |
| 571 | S | 35.3 | Very low | 37 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 178.6 | 121.9 | 143 | -82.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 572 | S | 34.9 | Very low | 36.6 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | 48.9 | 99.1 | 149.2 | -53.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 573 | N | 30.8 | Very low | 36.3 | Very low | 165 Ų | 165 | 153.5 Ų | 153.5 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | | | trans | -64.1 | 142.6 | 155.6 | -58.2 | -55.3 | 0 | 0 | 0 | 111.5 | | |
| 574 | T | 40.7 | Very low | 36 | Very low | 132 Ų | 132 | 154 Ų | 154 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -155.4 | 135.6 | 137.3 | 9.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 575 | N | 34 | Very low | 35.6 | Very low | 137 Ų | 137 | 152.5 Ų | 152.5 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | | | trans | -10.9 | 132.4 | 168.8 | -53.9 | -24 | 0 | 0 | 0 | 118.2 | | |
| 576 | I | 32.2 | Very low | 35.3 | Very low | 139 Ų | 139 | 152.7 Ų | 152.7 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | | 68.1 | 128.8 | 58.3 | -61.8 | 171.1 | 0 | 0 | 0 | 112.5 | | |
| 577 | N | 34 | Very low | 35.1 | Very low | 144 Ų | 144 | 150.7 Ų | 150.7 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | 71.4 | 146.4 | 175.7 | -65.2 | -18.6 | 0 | 0 | 0 | 115.5 | | |
| 578 | T | 37.4 | Very low | 34.7 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | | | cis | -160.3 | 161.3 | 1.7 | 3.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 579 | M | 38 | Very low | 34.7 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | | | trans | 55.6 | 115.1 | 148.7 | -69.9 | -177.4 | -73.1 | 0 | 0 | 121.7 | | |
| 580 | N | 33.7 | Very low | 34.9 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | | | | 37.8 | 144.5 | 119.1 | -76.7 | -20.2 | 0 | 0 | 0 | 123 | | |
| 581 | N | 31.5 | Very low | 34.9 | Very low | 116 Ų | 116 | 143 Ų | 143 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | | | trans | 94.7 | 124.6 | 149 | -82.9 | -63.8 | 0 | 0 | 0 | 120.8 | | |
| 582 | R | 35.1 | Very low | 35 | Very low | 210 Ų | 210 | 144.2 Ų | 144.2 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | | | trans | 67.7 | 116.1 | 149.8 | -55.7 | 157.3 | -152.5 | 172.9 | 5.3 | 115.6 | | |
| 583 | K | 34.6 | Very low | 35.2 | Very low | 196 Ų | 196 | 146 Ų | 146 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | | | | 65.8 | 89.6 | 56.8 | -168.8 | -172.5 | -176.9 | 178.8 | 0 | 112.7 | | |
| 584 | L | 31.8 | Very low | 35.5 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | | | trans | 173.6 | 146.1 | 136.4 | -95.3 | 159.1 | 0 | 0 | 0 | 112.2 | | |
| 585 | N | 33.4 | Very low | 35.3 | Very low | 125 Ų | 125 | 143 Ų | 143 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | | | trans | 66.3 | 155.9 | 148.9 | -68.7 | -0.7 | 0 | 0 | 0 | 121.5 | | |
| 586 | Q | 35.1 | Very low | 35.3 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | | | cis | -170.5 | -177.7 | -35.7 | -143.8 | 170.8 | 12.2 | 0 | 0 | 108.6 | | |
| 587 | T | 37.1 | Very low | 35.7 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | | | trans | 67.5 | 114.6 | 173 | 62.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 588 | N | 31.6 | Very low | 35.8 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | | | | 95.1 | 117.3 | 51.7 | -74.9 | 16.7 | 0 | 0 | 0 | 111.4 | | |
| 589 | I | 38.1 | Very low | 35.8 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | | | trans | -117.5 | 154 | 159 | -67.3 | 178.7 | 0 | 0 | 0 | 107.1 | | |
| 590 | T | 38.2 | Very low | 35.7 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 69% | 0.693 | 72% | 0.724 | S | S | * | * | | | trans | -79.8 | 143.5 | -154 | 34.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 591 | D | 35.9 | Very low | 35.8 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | | | trans | 76.6 | 108.4 | 130.3 | -57.3 | -10 | 0 | 0 | 0 | 123.2 | | |
| 592 | H | 38 | Very low | 35.8 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | | | | 86.2 | 129.5 | 120.6 | -88.5 | -100.8 | 0 | 0 | 0 | 122.8 | | |
| 593 | H | 38.1 | Very low | 35.8 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | 69.7 | 139.1 | 155.5 | -63.2 | -52.5 | 0 | 0 | 0 | 118.6 | | |
| 594 | S | 36.4 | Very low | 35.9 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 58% | 0.58 | 73% | 0.727 | S | S | * | * | | | cis | -172.3 | 157.3 | -9.8 | -111.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 595 | I | 37.4 | Very low | 36 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | | | trans | 66.5 | 127.3 | 149.8 | -66.7 | 164.4 | 0 | 0 | 0 | 116 | | |
| 596 | D | 34.3 | Very low | 36 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | cis | -165.4 | 179.3 | -8.6 | -138.8 | -53.3 | 0 | 0 | 0 | 111.3 | | |
| 597 | S | 40.1 | Very low | 36 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | | | trans | -9.4 | 156.6 | 151.1 | 52.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 598 | D | 35.9 | Very low | 35.7 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | cis | -169.7 | 178.1 | 7 | -132.3 | -37 | 0 | 0 | 0 | 114.4 | | |
| 599 | L | 37.3 | Very low | 36 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 80% | 0.801 | 74% | 0.737 | S | S | * | * | | | trans | 65.5 | 154.4 | 153.9 | -65.4 | 156.4 | 0 | 0 | 0 | 119.4 | | |
| 600 | S | 36.7 | Very low | 35.8 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 57% | 0.566 | 73% | 0.729 | S | S | * | * | | | cis | -172.4 | 166.4 | -18.6 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 601 | N | 34.9 | Very low | 35.7 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | | | trans | 66.2 | 153.3 | 157.3 | -62.6 | -7.7 | 0 | 0 | 0 | 118.9 | | |
| 602 | C | 31.9 | Very low | 35.7 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 68% | 0.676 | 73% | 0.734 | S | S | * | * | | | cis | -154.7 | 142.4 | -18.1 | -101.3 | 0 | 0 | 0 | 0 | 106.2 | | |
| 603 | S | 34.2 | Very low | 35.8 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | | | | 78.2 | 94.7 | 57 | -54.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 604 | E | 38.4 | Very low | 35.8 | Very low | 194 Ų | 194 | 136.2 Ų | 136.2 | 91% | 0.907 | 74% | 0.737 | S | S | * | * | | | trans | -162.6 | -178.2 | 141.7 | -117.2 | 170.4 | -155.6 | 0 | 0 | 111.7 | | |
| 605 | S | 32.3 | Very low | 35.9 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | | | | -163.6 | 179.4 | -124.7 | -71.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 606 | L | 34.1 | Very low | 35.9 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | | | trans | 69.8 | 147.7 | 174.9 | -62.4 | 104.5 | 0 | 0 | 0 | 115.2 | | |
| 607 | S | 35.2 | Very low | 36.2 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | cis | -155.5 | 127.7 | -10.6 | 41.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 608 | I | 30.7 | Very low | 36 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 82% | 0.821 | 75% | 0.749 | S | S | * | * | | | | 50.9 | 106.6 | 87.3 | -57.1 | 175.4 | 0 | 0 | 0 | 113.4 | | |
| 609 | E | 38.3 | Very low | 35.9 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | | -154.4 | 152.9 | 116.2 | -121.1 | 175.2 | -167.1 | 0 | 0 | 110.3 | | |
| 610 | E | 34.5 | Very low | 35.9 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | trans | -142.9 | 133.5 | -163.2 | 174 | -177.6 | -169.6 | 0 | 0 | 109.8 | H612 | E610-H612 IonicContact OE1-CD2 3.96Š|
| 611 | Y | 36 | Very low | 35.9 | Very low | 224 Ų | 224 | 145.2 Ų | 145.2 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | | | trans | -144.2 | 106 | 164.4 | -97.9 | -80.7 | 0 | 0 | 0 | 111.1 | | |
| 612 | H | 35.9 | Very low | 36.2 | Very low | 136 Ų | 136 | 144 Ų | 144 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | | | trans | -67.3 | 152.9 | 154.6 | -96.8 | -95.9 | 0 | 0 | 0 | 110.1 | E610 | E610-H612 IonicContact OE1-CD2 3.96Š|
| 613 | D | 39.2 | Very low | 36.4 | Very low | 154 Ų | 154 | 145 Ų | 145 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | | -156.3 | 156.7 | 117.8 | -135.8 | -34.6 | 0 | 0 | 0 | 111.2 | | |
| 614 | D | 37.9 | Very low | 36.7 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | | | trans | -93.2 | 162 | -170.1 | -73.5 | -60.3 | 0 | 0 | 0 | 113.6 | | |
| 615 | N | 38.7 | Very low | 36.7 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | | | | 165.9 | 126.9 | 112.7 | -89.6 | -76.8 | 0 | 0 | 0 | 114.4 | | |
| 616 | H | 38.4 | Very low | 36.7 | Very low | 168 Ų | 168 | 146.6 Ų | 146.6 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | | | trans | -78.2 | -177.8 | 153.9 | -126.4 | -120.6 | 0 | 0 | 0 | 108.3 | | |
| 617 | P | 39.5 | Very low | 36.9 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | | | cis | -145.5 | 162.3 | 15.2 | 41.2 | -20.7 | 0 | 0 | 0 | 119.1 | | |
| 618 | S | 35.8 | Very low | 36.9 | Very low | 93 Ų | 93 | 150.3 Ų | 150.3 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | trans | 60 | 148.4 | 133.9 | -62.4 | 0 | 0 | 0 | 0 | 125.4 | | |
| 619 | H | 35 | Very low | 37.3 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | | | trans | 114.7 | 130.1 | 131.9 | -109 | -71.8 | 0 | 0 | 0 | 120.9 | | |
| 620 | L | 36.4 | Very low | 37.1 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | | | trans | 75.5 | 110.8 | 160 | -55.3 | 179.6 | 0 | 0 | 0 | 120.8 | | |
| 621 | M | 36.2 | Very low | 37.3 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | | | trans | -81.1 | 163 | 145.5 | -77.6 | -83.8 | 142.3 | 0 | 0 | 109.9 | | |
| 622 | P | 42 | Very low | 37.4 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | | -140.3 | 169 | 105.8 | 38.4 | -26.5 | 0 | 0 | 0 | 115.6 | | |
| 623 | T | 35.9 | Very low | 37.3 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | -75.7 | 163.9 | 177.7 | 44.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 624 | I | 40.8 | Very low | 37.2 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | | 175 | 124.1 | 119 | -89 | 157.5 | 0 | 0 | 0 | 113.5 | | |
| 625 | N | 37.4 | Very low | 37 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | 36.9 | 128.3 | 146.9 | -50.2 | -9.1 | 0 | 0 | 0 | 124.4 | | |
| 626 | N | 33.2 | Very low | 36.9 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | 11.8 | 131.7 | 132 | -47.7 | -9.3 | 0 | 0 | 0 | 119.8 | | |
| 627 | E | 38.4 | Very low | 36.8 | Very low | 169 Ų | 169 | 147 Ų | 147 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | | -174.9 | 133.7 | 86.4 | -94.8 | -153.1 | 164.8 | 0 | 0 | 115.3 | | |
| 628 | K | 34.7 | Very low | 36.7 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | 34 | 99.7 | 132.7 | -171.7 | -168.1 | 177.2 | -174 | 0 | 119.8 | | |
| 629 | I | 39.4 | Very low | 36.8 | Very low | 167 Ų | 167 | 153.6 Ų | 153.6 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | trans | -130 | 131.7 | 141.6 | -63.8 | -176.3 | 0 | 0 | 0 | 109 | | |
| 630 | Q | 34.7 | Very low | 36.9 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -89.8 | 144.6 | 171.1 | -63.9 | 171.8 | -18.4 | 0 | 0 | 109.9 | | |
| 631 | L | 38.3 | Very low | 36.7 | Very low | 170 Ų | 170 | 155.2 Ų | 155.2 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | | | trans | -155 | 170.9 | 147 | -110 | 170.7 | 0 | 0 | 0 | 110.3 | | |
| 632 | H | 38.2 | Very low | 36.6 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -109 | 161.9 | -150.3 | -106 | 59.5 | 0 | 0 | 0 | 116.4 | | |
| 633 | S | 33.7 | Very low | 36.5 | Very low | 106 Ų | 106 | 154.6 Ų | 154.6 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | 84.8 | 143.8 | 154.5 | -59.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 634 | P | 36 | Very low | 36.4 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | | | trans | -100 | 160 | -178.7 | 40.1 | -35.4 | 0 | 0 | 0 | 113.8 | | |
| 635 | D | 35 | Very low | 36.2 | Very low | 155 Ų | 155 | 155.9 Ų | 155.9 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | | | | 169.7 | 94.4 | 125.9 | -91 | -12 | 0 | 0 | 0 | 111.6 | | |
| 636 | F | 35.3 | Very low | 36.2 | Very low | 197 Ų | 197 | 155.9 Ų | 155.9 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -152.4 | 141.3 | 166.4 | -123.4 | -105.7 | 0 | 0 | 0 | 104.8 | | |
| 637 | I | 36.6 | Very low | 36.4 | Very low | 153 Ų | 153 | 155.5 Ų | 155.5 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | cis | -139.7 | 143.8 | 47.2 | -73.9 | 157.3 | 0 | 0 | 0 | 110.8 | | |
| 638 | Q | 38.1 | Very low | 36.3 | Very low | 152 Ų | 152 | 153.5 Ų | 153.5 | 71% | 0.71 | 79% | 0.791 | S | S | * | * | | | trans | -127.5 | 139.2 | 164 | -159.8 | -165.1 | 66.5 | 0 | 0 | 109.4 | | |
| 639 | K | 38.2 | Very low | 36.1 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | 57.3 | 110.3 | 173.6 | -67.5 | 167.3 | -179.5 | 168.1 | 0 | 117.3 | | |
| 640 | S | 36.3 | Very low | 35.9 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | | -132.9 | 142.1 | 126.9 | 55.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 641 | R | 32 | Very low | 35.9 | Very low | 229 Ų | 229 | 151.1 Ų | 151.1 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -119.2 | 160.8 | 173.4 | -101.9 | -166.1 | 178.7 | -166.4 | 1 | 107.7 | | |
| 642 | Q | 35.7 | Very low | 35.6 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | 77.9 | 138.3 | 155.4 | -130.4 | 72.6 | 20.7 | 0 | 0 | 117.5 | | |
| 643 | T | 38.4 | Very low | 35.2 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | 66.8 | 144.3 | 166.9 | 69.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 644 | C | 33.8 | Very low | 35.1 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | cis | -117.3 | 176.2 | -1.1 | -73.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 645 | M | 38 | Very low | 35 | Very low | 169 Ų | 169 | 149 Ų | 149 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | | | trans | -98.3 | 169.8 | 164.1 | -70.2 | -168.5 | 66.7 | 0 | 0 | 111.5 | | |
| 646 | N | 37.2 | Very low | 34.7 | Very low | 134 Ų | 134 | 152.7 Ų | 152.7 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | | | trans | 102.1 | 139.9 | 159.3 | -63 | 6.6 | 0 | 0 | 0 | 118.6 | | |
| 647 | D | 35.8 | Very low | 34.5 | Very low | 143 Ų | 143 | 149.2 Ų | 149.2 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | | | trans | 77.4 | 130.9 | 155.6 | -51.6 | -26.5 | 0 | 0 | 0 | 122.5 | | |
| 648 | T | 36.8 | Very low | 34.2 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | 78.7 | 100.6 | 161.5 | 1.5 | 0 | 0 | 0 | 0 | 120 | | |
| 649 | D | 31.2 | Very low | 34.1 | Very low | 149 Ų | 149 | 149 Ų | 149 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | trans | 34.8 | 108.3 | 134.2 | -55.4 | -19.8 | 0 | 0 | 0 | 120.6 | | |
| 650 | C | 33.8 | Very low | 34.1 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 92% | 0.919 | 82% | 0.816 | S | S | * | * | | | trans | -147.1 | 118.4 | 144 | -104.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 651 | I | 35.8 | Very low | 34.2 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | | | trans | -80.6 | 123.9 | 171 | -60.8 | 165.1 | 0 | 0 | 0 | 108.7 | | |
| 652 | S | 32.8 | Very low | 34.3 | Very low | 112 Ų | 112 | 148.8 Ų | 148.8 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | | | trans | -179.5 | 111.7 | 140.1 | -84.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 653 | S | 28.9 | Very low | 34.1 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | | | trans | 4.3 | 109.7 | 145.4 | -49.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 654 | S | 31.7 | Very low | 34.1 | Very low | 116 Ų | 116 | 151 Ų | 151 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | | | | 165 | 124.5 | 126.8 | -78.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 655 | L | 33.6 | Very low | 34.2 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | | | trans | 164.2 | 99.2 | 154.2 | -93.2 | 159.9 | 0 | 0 | 0 | 106.2 | | |
| 656 | R | 29.4 | Very low | 34.1 | Very low | 232 Ų | 232 | 151.6 Ų | 151.6 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | | | | 48.4 | 107.1 | 83.7 | -62.3 | -174.3 | 78.9 | -153.4 | 6.2 | 114.5 | | |
| 657 | C | 31.5 | Very low | 34 | Very low | 125 Ų | 125 | 152 Ų | 152 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | | | | -149.9 | 149.7 | 129 | -116.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 658 | N | 30 | Very low | 34.1 | Very low | 156 Ų | 156 | 154.3 Ų | 154.3 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | | | trans | -120.3 | 123.9 | 167.5 | -84.2 | -48.8 | 0 | 0 | 0 | 106.8 | | |
| 659 | D | 35.4 | Very low | 34.3 | Very low | 144 Ų | 144 | 155.2 Ų | 155.2 | 77% | 0.77 | 83% | 0.832 | S | S | * | * | | | trans | -150.5 | 155 | 156.9 | -78.2 | -57 | 0 | 0 | 0 | 105.2 | | |
| 660 | D | 37.9 | Very low | 34.5 | Very low | 156 Ų | 156 | 152.4 Ų | 152.4 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | | | cis | -121.4 | 146.3 | 24.8 | -57.8 | -65.7 | 0 | 0 | 0 | 115.3 | | |
| 661 | R | 37.7 | Very low | 34.6 | Very low | 223 Ų | 223 | 153.6 Ų | 153.6 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -148.5 | 127.5 | 144.1 | -88.9 | -164.5 | -177.7 | 170.7 | 4.5 | 111.7 | | |
| 662 | N | 33.9 | Very low | 34.6 | Very low | 156 Ų | 156 | 152.4 Ų | 152.4 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | | | trans | 66.5 | 76.5 | 157.7 | -53 | -14.3 | 0 | 0 | 0 | 117.7 | | |
| 663 | E | 32.3 | Very low | 34.9 | Very low | 194 Ų | 194 | 154 Ų | 154 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | | | trans | -105.6 | 111.9 | 145.6 | -80.1 | -150.4 | 129.2 | 0 | 0 | 110.9 | | |
| 664 | V | 37.9 | Very low | 35.3 | Very low | 133 Ų | 133 | 153.7 Ų | 153.7 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | | | | -162.3 | 98.8 | 129 | 178.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 665 | N | 35.8 | Very low | 35.5 | Very low | 149 Ų | 149 | 156.7 Ų | 156.7 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -174.7 | 145.6 | 145.7 | -107.2 | -44.2 | 0 | 0 | 0 | 113.8 | | |
| 666 | L | 37.1 | Very low | 35.7 | Very low | 158 Ų | 158 | 154.5 Ų | 154.5 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | | | trans | 57.7 | 87.3 | 167.8 | -78.5 | 76.3 | 0 | 0 | 0 | 118.1 | | |
| 667 | T | 34.8 | Very low | 36.1 | Very low | 142 Ų | 142 | 151.8 Ų | 151.8 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | | | trans | -96.3 | 118.2 | 145.7 | 40.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 668 | K | 38.8 | Very low | 36.3 | Very low | 191 Ų | 191 | 152.3 Ų | 152.3 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | | | trans | -168.3 | 143.8 | 157.2 | -119.5 | 173.6 | -174.1 | 178.6 | 0 | 113 | | |
| 669 | N | 39.2 | Very low | 36.7 | Very low | 146 Ų | 146 | 152.3 Ų | 152.3 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | 70.1 | 136.4 | 171.8 | -44.8 | -23 | 0 | 0 | 0 | 114 | | |
| 670 | S | 36.3 | Very low | 36.8 | Very low | 90 Ų | 90 | 151.6 Ų | 151.6 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | | | cis | -163.4 | 153.8 | -5.5 | -133.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 671 | M | 36.4 | Very low | 36.7 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | | | trans | 67.5 | 147.9 | 151 | -65.6 | 164.9 | 173.3 | 0 | 0 | 117.8 | | |
| 672 | M | 36.2 | Very low | 36.5 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | cis | -163.7 | 157 | -7.8 | -128.7 | -169.7 | -68.7 | 0 | 0 | 111.7 | | |
| 673 | L | 37.4 | Very low | 36.7 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | 65.4 | 150.1 | 157.6 | -55.6 | 161.7 | 0 | 0 | 0 | 116.7 | | |
| 674 | T | 38 | Very low | 36.7 | Very low | 110 Ų | 110 | 146.3 Ų | 146.3 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | | | cis | -158.9 | 123.6 | -9 | 16.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 675 | Q | 35.4 | Very low | 36.7 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | | | | 61.4 | 101.9 | 84.9 | -80.1 | -165 | -8.7 | 0 | 0 | 118.5 | | |
| 676 | S | 38.2 | Very low | 36.5 | Very low | 115 Ų | 115 | 148 Ų | 148 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -174.4 | 109.6 | 138.3 | 50 | 0 | 0 | 0 | 0 | 107.8 | | |
| 677 | Q | 37.4 | Very low | 36.5 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | | 61.2 | 106.4 | 63.9 | -73.3 | -162.9 | -16.3 | 0 | 0 | 116.2 | | |
| 678 | N | 37 | Very low | 36.6 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -169.8 | 125.6 | 135 | -91.4 | -26.9 | 0 | 0 | 0 | 108.1 | | |
| 679 | Q | 37.2 | Very low | 36.4 | Very low | 157 Ų | 157 | 144 Ų | 144 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | | 67.3 | 128.6 | 76.4 | -72.2 | -164.7 | 90 | 0 | 0 | 112.5 | | |
| 680 | L | 37.6 | Very low | 36.6 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | cis | -152 | -178.2 | -3.7 | -91.8 | 168.8 | 0 | 0 | 0 | 106.7 | | |
| 681 | H | 36 | Very low | 36.6 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | cis | -151.7 | -150.9 | 8.8 | -141.6 | 145.2 | 0 | 0 | 0 | 110.4 | | |
| 682 | S | 33.4 | Very low | 36.6 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | | | trans | -153.2 | 153.1 | 178.2 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 683 | H | 38.5 | Very low | 36.5 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | | | trans | -141.9 | 152.1 | 157.8 | -102.5 | -82.2 | 0 | 0 | 0 | 112 | | |
| 684 | Q | 32.6 | Very low | 36.5 | Very low | 170 Ų | 170 | 145.4 Ų | 145.4 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -99.4 | 160.6 | -171.5 | -55.1 | 147.7 | -67.1 | 0 | 0 | 111.7 | | |
| 685 | L | 36.7 | Very low | 36.3 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | | | | -164.6 | 166.8 | 117 | -104.5 | 162.6 | 0 | 0 | 0 | 111.5 | | |
| 686 | I | 32.9 | Very low | 36.3 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | trans | -112.6 | 150.2 | -173.7 | -62 | 164.5 | 0 | 0 | 0 | 108 | | |
| 687 | N | 36.6 | Very low | 36.3 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | 173.2 | 134.6 | 134.5 | -87.4 | 4.8 | 0 | 0 | 0 | 113.3 | | |
| 688 | D | 36.1 | Very low | 36 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | 52.9 | 128.2 | 138.4 | -47.8 | -35.3 | 0 | 0 | 0 | 123.3 | | |
| 689 | T | 36.1 | Very low | 36 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | | | trans | -73.7 | 148 | 164.8 | 43.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 690 | P | 42.7 | Very low | 35.8 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -123.5 | 148.7 | 148.2 | 36.6 | -27.4 | 0 | 0 | 0 | 113.7 | | |
| 691 | T | 36.4 | Very low | 35.9 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | -106.1 | 142.8 | 175.7 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 692 | G | 36.7 | Very low | 35.8 | Very low | 65 Ų | 65 | 144.9 Ų | 144.9 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | | | trans | -164.3 | 128.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 693 | F | 32.6 | Very low | 36 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | | 54.9 | 120.8 | 72.7 | -87.3 | -91.1 | 0 | 0 | 0 | 112.3 | | |
| 694 | F | 37.4 | Very low | 35.9 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | | | cis | -136.1 | 172.7 | 13.8 | -66.2 | -108.7 | 0 | 0 | 0 | 109.8 | | |
| 695 | G | 35 | Very low | 36.1 | Very low | 63 Ų | 63 | 143 Ų | 143 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | cis | 159.7 | 131.3 | -9.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 696 | Y | 35.5 | Very low | 35.9 | Very low | 211 Ų | 211 | 146.5 Ų | 146.5 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | 75.9 | 138 | 151.7 | -75.7 | -69.6 | 0 | 0 | 0 | 125.2 | | |
| 697 | N | 37.1 | Very low | 36 | Very low | 131 Ų | 131 | 145 Ų | 145 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | 82.2 | 97.7 | 144.9 | -64.7 | -14.9 | 0 | 0 | 0 | 121.4 | | |
| 698 | D | 31.9 | Very low | 35.8 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | -10.3 | 140.3 | 131.1 | -53.3 | -84.4 | 0 | 0 | 0 | 117.9 | | |
| 699 | L | 37.4 | Very low | 36 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | | | | -167.5 | 148.7 | 96.4 | -99.4 | 169.4 | 0 | 0 | 0 | 112.9 | | |
| 700 | L | 32.7 | Very low | 36 | Very low | 161 Ų | 161 | 151.8 Ų | 151.8 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -65.8 | 141.4 | 170.8 | -68.2 | 147 | 0 | 0 | 0 | 111 | | |
| 701 | L | 38.7 | Very low | 35.9 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -172 | 117 | 141.6 | -105.1 | 160.2 | 0 | 0 | 0 | 115 | | |
| 702 | N | 33.9 | Very low | 35.9 | Very low | 114 Ų | 114 | 154.4 Ų | 154.4 | 61% | 0.61 | 80% | 0.804 | S | S | * | * | | | trans | 51.8 | 105.8 | 143.2 | -163.6 | 8.7 | 0 | 0 | 0 | 121.2 | N704 | N702-N704 PolarHBondContact O-N 3.49Å; N702-N704 VanDerWaalsContact O-N 3.16Å; N702-N704 PolarHBondContact OD1-ND2 3.36Å |
| 703 | P | 38.5 | Very low | 35.9 | Very low | 126 Ų | 126 | 156.7 Ų | 156.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -84 | 81.8 | 170.8 | 35.2 | -33.7 | 0 | 0 | 0 | 112.4 | | |
| 704 | N | 36.2 | Very low | 36 | Very low | 126 Ų | 126 | 154.9 Ų | 154.9 | 67% | 0.674 | 81% | 0.805 | S | S | * | * | | | trans | -146.9 | 73.5 | 172.4 | -88.8 | -66.2 | 0 | 0 | 0 | 112.7 | N702 | N702-N704 PolarHBondContact O-N 3.49Å; N702-N704 VanDerWaalsContact O-N 3.16Å; N702-N704 PolarHBondContact OD1-ND2 3.36Å |
| 705 | N | 35.9 | Very low | 36.1 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | | | trans | -178.7 | 113.5 | 148.5 | -103 | -56.2 | 0 | 0 | 0 | 111 | | |
| 706 | Y | 32.9 | Very low | 36 | Very low | 248 Ų | 248 | 157.3 Ų | 157.3 | 97% | 0.973 | 80% | 0.804 | S | S | * | * | | | trans | -107.9 | 109.7 | 159.9 | -93.4 | -81.6 | 0 | 0 | 0 | 108.7 | | |
| 707 | S | 34.7 | Very low | 36.1 | Very low | 111 Ų | 111 | 157.3 Ų | 157.3 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -147.9 | 154.5 | 165 | -166.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 708 | L | 34.1 | Very low | 36.2 | Very low | 158 Ų | 158 | 155.8 Ų | 155.8 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | | | trans | -60.3 | 143.4 | -162.9 | -87.9 | 59.9 | 0 | 0 | 0 | 114.2 | | |
| 709 | K | 39.5 | Very low | 36.4 | Very low | 209 Ų | 209 | 154.4 Ų | 154.4 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | -108.3 | 129.8 | 145.7 | -83.9 | -172 | 173.8 | -179.7 | 0 | 109.3 | | |
| 710 | Q | 35.7 | Very low | 36.6 | Very low | 185 Ų | 185 | 154.2 Ų | 154.2 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 141.7 | 172.6 | -69.4 | 175.7 | -24.3 | 0 | 0 | 111.1 | | |
| 711 | G | 41.7 | Very low | 36.9 | Very low | 78 Ų | 78 | 154 Ų | 154 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 142.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 712 | R | 35.6 | Very low | 36.9 | Very low | 247 Ų | 247 | 154.2 Ų | 154.2 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 171.6 | -178.7 | -83.9 | 179.1 | 162.2 | -169.1 | -4.5 | 112.3 | | |
| 713 | S | 37.4 | Very low | 36.9 | Very low | 113 Ų | 113 | 153.5 Ų | 153.5 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | 102.1 | 131.2 | 156.8 | -153.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 714 | M | 35.1 | Very low | 36.7 | Very low | 145 Ų | 145 | 155.3 Ų | 155.3 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | | | cis | -162.2 | -177.9 | -13.5 | -111.8 | -100.8 | -80 | 0 | 0 | 108.8 | | |
| 715 | F | 38 | Very low | 37.1 | Very low | 190 Ų | 190 | 154.2 Ų | 154.2 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | | | trans | 76.4 | 147 | 177.7 | -64.6 | -83.8 | 0 | 0 | 0 | 117.6 | | |
| 716 | N | 34.3 | Very low | 37.5 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 61% | 0.61 | 80% | 0.803 | S | S | * | * | | | | -174.3 | 159.2 | -85.9 | -174.1 | 22 | 0 | 0 | 0 | 109.4 | | |
| 717 | Y | 36.6 | Very low | 37.9 | Very low | 211 Ų | 211 | 147.4 Ų | 147.4 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | 66.6 | 147.3 | -174.7 | -52.3 | -81.8 | 0 | 0 | 0 | 115 | | |
| 718 | A | 38.9 | Very low | 38 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | cis | -124.3 | 153.4 | -0.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 719 | T | 37.5 | Very low | 38.4 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | trans | -92 | 149.2 | -174.1 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 720 | N | 40 | Very low | 38.4 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | | | trans | -146.2 | 153 | 133.7 | -113.1 | -38.2 | 0 | 0 | 0 | 111.9 | | |
| 721 | H | 39.6 | Very low | 38.2 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | -94.9 | 143 | -163.9 | -64.5 | -116 | 0 | 0 | 0 | 112.5 | | |
| 722 | L | 39.5 | Very low | 37.8 | Very low | 172 Ų | 172 | 141 Ų | 141 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | | | | -171.6 | 141 | 116.4 | -99.9 | 161.5 | 0 | 0 | 0 | 110.9 | | |
| 723 | S | 33.2 | Very low | 37.9 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | | | trans | -85.1 | 148.3 | 174.1 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 724 | L | 35.4 | Very low | 37.5 | Very low | 164 Ų | 164 | 141 Ų | 141 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | | -166.5 | 149.2 | 128.8 | -103.7 | 157.9 | 0 | 0 | 0 | 113.1 | | |
| 725 | T | 44.3 | Very low | 37.5 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 150.3 | -174.8 | 47.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 726 | P | 43 | Very low | 37.2 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 140.3 | 163 | 30.7 | -34.3 | 0 | 0 | 0 | 110.7 | P728 | P726-P728 WeakPolarHBondContact O-CD 3.44Š|
| 727 | I | 42.8 | Very low | 37.1 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -97 | 124.3 | -164.3 | -62.1 | 170.9 | 0 | 0 | 0 | 112 | L729 | I727-L729 HydrophobicContact CG2-CD1 3.27Š|
| 728 | P | 36.5 | Very low | 37.1 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 133.8 | 159.5 | 34.7 | -28.5 | 0 | 0 | 0 | 111 | P726 | P726-P728 WeakPolarHBondContact O-CD 3.44Š|
| 729 | L | 42 | Very low | 36.8 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | -122 | 154.5 | 169.3 | -106.6 | 83.8 | 0 | 0 | 0 | 110.6 | I727 | I727-L729 HydrophobicContact CG2-CD1 3.27Š|
| 730 | P | 39.2 | Very low | 36.7 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | | -127.2 | 171.4 | -129.5 | 30 | -9.1 | 0 | 0 | 0 | 114.8 | | |
| 731 | S | 32.3 | Very low | 36.3 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -81.2 | 154.5 | 165.5 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 732 | S | 32.5 | Very low | 36 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | 54.6 | 109 | 160.9 | 54.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 733 | L | 37.5 | Very low | 35.9 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 96% | 0.963 | 78% | 0.78 | S | S | * | * | | | trans | -124.8 | 157.1 | 138.8 | -81.8 | -179.7 | 0 | 0 | 0 | 109.8 | | |
| 734 | Q | 30.4 | Very low | 35.8 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -145.5 | 96.4 | -150.5 | 174.6 | -167.9 | -30.1 | 0 | 0 | 111.2 | | |
| 735 | L | 35 | Very low | 35.8 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | | | trans | -159.7 | 148.8 | 168.8 | -83.4 | 112.6 | 0 | 0 | 0 | 108.2 | | |
| 736 | S | 31.9 | Very low | 35.2 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 54% | 0.538 | 78% | 0.782 | S | S | . | * | | | cis | -174.8 | 150.7 | -15.4 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 737 | Y | 32.2 | Very low | 35.1 | Very low | 216 Ų | 216 | 142.3 Ų | 142.3 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | trans | 66.5 | 150.6 | 179.4 | -57.8 | -91.2 | 0 | 0 | 0 | 115 | | |
| 738 | E | 36.3 | Very low | 34.6 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | | | cis | -135.8 | 170.8 | 0.6 | -156.3 | 167.4 | -158.4 | 0 | 0 | 112.2 | | |
| 739 | N | 32 | Very low | 34.5 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | | | trans | -82.7 | 144.4 | -174.6 | -55.3 | -78.1 | 0 | 0 | 0 | 113 | | |
| 740 | G | 35.5 | Very low | 34.1 | Very low | 73 Ų | 73 | 142.8 Ų | 142.8 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | trans | -176.9 | 49.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 741 | R | 32.2 | Very low | 33.5 | Very low | 227 Ų | 227 | 144.4 Ų | 144.4 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | 22.6 | 132.1 | 149.2 | -72.8 | -177.3 | 177.1 | 128.2 | -1.1 | 120.8 | | |
| 742 | N | 32.5 | Very low | 33.5 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | trans | 72 | 132.6 | 132.4 | -69.4 | 48.7 | 0 | 0 | 0 | 118.4 | | |
| 743 | E | 36.8 | Very low | 33.3 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | cis | -144.7 | -173.6 | -0.7 | -56.1 | -159.7 | 139.4 | 0 | 0 | 112.2 | | |
| 744 | S | 30.8 | Very low | 33.1 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -63.2 | 165.4 | 170.7 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 745 | I | 36.5 | Very low | 33.4 | Very low | 159 Ų | 159 | 143 Ų | 143 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | | | | -165.7 | 150 | 92.1 | -88.1 | 155.1 | 0 | 0 | 0 | 110.7 | | |
| 746 | S | 31.8 | Very low | 33.4 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | | | trans | -86.2 | 153.1 | 179.3 | -62.8 | 0 | 0 | 0 | 0 | 114.1 | R748 | S746-R748 PolarHBondContact O-N 2.88Š|
| 747 | P | 40.2 | Very low | 33.9 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -74.4 | 122.9 | 171.6 | 30.5 | -33.4 | 0 | 0 | 0 | 111.6 | | |
| 748 | R | 32.3 | Very low | 34.2 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 49% | 0.487 | 74% | 0.739 | S | S | . | * | | | trans | -138.3 | 145.5 | 173.6 | -174 | 171.6 | 178.7 | -167.6 | -4.8 | 112.2 | S746 F896 | S746-R748 PolarHBondContact O-N 2.88Å; R748-F896 VanDerWaalsContact NH2-CE1 3.3Å |
| 749 | S | 34.4 | Very low | 34.3 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | | | trans | -53.2 | 129.8 | -179.5 | 56 | 0 | 0 | 0 | 0 | 116.7 | | |
| 750 | K | 34.4 | Very low | 34.5 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 85% | 0.852 | 72% | 0.724 | S | S | * | * | | | trans | -172.2 | 138.2 | 151.7 | -101.6 | 166.1 | -176.6 | -171.7 | 0 | 106.1 | | |
| 751 | L | 26.2 | Very low | 34.5 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | | | cis | 75.5 | 131.6 | 23.6 | -141.6 | 166.4 | 0 | 0 | 0 | 112.6 | | |
| 752 | S | 31.1 | Very low | 34.6 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | | | trans | 71.4 | 147.4 | -162.7 | 73.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 753 | E | 29.6 | Very low | 34.6 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | cis | 178.2 | 170.3 | -33.5 | -111.7 | 163.3 | 143.3 | 0 | 0 | 108 | | |
| 754 | L | 32.4 | Very low | 34.5 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | | | trans | 65.5 | 129.7 | 167.8 | -58.8 | 145.7 | 0 | 0 | 0 | 115.5 | | |
| 755 | N | 38.2 | Very low | 34.6 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | | | cis | -142.5 | 142.7 | 28.4 | -69.3 | -76.9 | 0 | 0 | 0 | 109.7 | | |
| 756 | N | 34.4 | Very low | 34.4 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | | | cis | 80.8 | 136.1 | 42.4 | -170.9 | 57.9 | 0 | 0 | 0 | 113 | | |
| 757 | P | 42.9 | Very low | 34.6 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 63% | 0.63 | 72% | 0.724 | S | S | * | * | | | cis | -104.9 | -139.6 | -5.7 | 23.6 | 0.2 | 0 | 0 | 0 | 110.8 | | |
| 758 | T | 38.3 | Very low | 34.2 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | | | cis | -164.6 | 150.6 | 6.5 | -15.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 759 | H | 37.1 | Very low | 34.2 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | 55 | 141.3 | 158.4 | -66.6 | -61.8 | 0 | 0 | 0 | 121.4 | | |
| 760 | Q | 36.3 | Very low | 34.4 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 65% | 0.645 | 73% | 0.732 | S | S | * | * | | | cis | -172 | 150.2 | -21.2 | -134.3 | -179.1 | 13.6 | 0 | 0 | 109.8 | | |
| 761 | M | 36.9 | Very low | 34.2 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | | | trans | 60.5 | 147.6 | 158.1 | -56.3 | -51.8 | -177.9 | 0 | 0 | 119.4 | | |
| 762 | N | 33.5 | Very low | 34.5 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | | | cis | -158.3 | 157.5 | -25.9 | -164.7 | 19.2 | 0 | 0 | 0 | 109.9 | | |
| 763 | T | 33.2 | Very low | 34.6 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | | | trans | 16 | 120.8 | 161.9 | 50.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 764 | G | 34.7 | Very low | 34.7 | Very low | 80 Ų | 80 | 140 Ų | 140 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | | | trans | -156.6 | 22.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 765 | N | 32.5 | Very low | 35 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | | | trans | 40 | 124.6 | 157.8 | -95 | -3.6 | 0 | 0 | 0 | 123.2 | | |
| 766 | Y | 31.4 | Very low | 34.7 | Very low | 201 Ų | 201 | 141.4 Ų | 141.4 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | | | trans | 76.2 | 107.6 | 151.1 | -79 | -94.9 | 0 | 0 | 0 | 122.9 | | |
| 767 | M | 35.8 | Very low | 34.6 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | | | | 67.7 | 91.5 | 129.6 | -71 | -69 | 162.7 | 0 | 0 | 122.4 | | |
| 768 | N | 31.8 | Very low | 34.2 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | | 53.1 | 97.5 | 116.4 | -67.1 | -8.8 | 0 | 0 | 0 | 121.3 | | |
| 769 | N | 32.8 | Very low | 33.7 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | | | | -173.5 | 171.4 | 129.6 | -111.4 | -38.2 | 0 | 0 | 0 | 109.4 | | |
| 770 | P | 38.5 | Very low | 33.5 | Very low | 89 Ų | 89 | 143 Ų | 143 | 58% | 0.578 | 77% | 0.765 | S | S | * | * | | | cis | -136 | -172.5 | -11.8 | 23.2 | 2.7 | 0 | 0 | 0 | 114.5 | | |
| 771 | F | 29.5 | Very low | 33.2 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | trans | 77.7 | 151.2 | 157 | -68.8 | -67.2 | 0 | 0 | 0 | 122.4 | | |
| 772 | T | 33.6 | Very low | 33 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | trans | 62.5 | 145.8 | 161.9 | 48.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 773 | N | 34 | Very low | 32.7 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | cis | -147.2 | 151.9 | 3.7 | -114.8 | -22.9 | 0 | 0 | 0 | 111.8 | | |
| 774 | Y | 31 | Very low | 32.9 | Very low | 221 Ų | 221 | 148.9 Ų | 148.9 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -83.3 | 155.1 | 158.8 | -103.7 | -84.6 | 0 | 0 | 0 | 109.2 | | |
| 775 | P | 38.9 | Very low | 32.7 | Very low | 110 Ų | 110 | 151.4 Ų | 151.4 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | | | | -150.1 | 148.3 | 105.5 | 36.3 | -19.1 | 0 | 0 | 0 | 117.3 | | |
| 776 | F | 32 | Very low | 32.6 | Very low | 204 Ų | 204 | 153.1 Ų | 153.1 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | | | trans | 43.5 | 132 | 142.3 | -76.7 | -96.2 | 0 | 0 | 0 | 123.8 | | |
| 777 | V | 31.9 | Very low | 32.6 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | | | trans | -103.6 | 145.4 | 163 | 176.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 778 | S | 33.8 | Very low | 32.7 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -110 | 141.9 | 164.6 | -67.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 779 | N | 28.5 | Very low | 32.8 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | -63 | 156.9 | 172.7 | -57.5 | -60.4 | 0 | 0 | 0 | 110.1 | | |
| 780 | T | 33.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | | | | -172.2 | 161.1 | 69.3 | 37 | 0 | 0 | 0 | 0 | 113.9 | | |
| 781 | N | 30.2 | Very low | 32.8 | Very low | 124 Ų | 124 | 147 Ų | 147 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | | | trans | 20.7 | 130.7 | 145.2 | -43.3 | -22.6 | 0 | 0 | 0 | 118.9 | | |
| 782 | Y | 31.8 | Very low | 33 | Very low | 212 Ų | 212 | 148.8 Ų | 148.8 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | | -171.2 | -179.4 | 75.1 | -106.9 | -77.1 | 0 | 0 | 0 | 114.4 | | |
| 783 | Y | 28 | Very low | 33.1 | Very low | 206 Ų | 206 | 150.9 Ų | 150.9 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | trans | -51.6 | 152.2 | 174 | -83.6 | -116.3 | 0 | 0 | 0 | 114 | | |
| 784 | T | 35.9 | Very low | 33.2 | Very low | 125 Ų | 125 | 152 Ų | 152 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | | -173.5 | 157.8 | 88 | 29 | 0 | 0 | 0 | 0 | 113.7 | | |
| 785 | N | 32.2 | Very low | 33.4 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | 22 | 122.4 | 153.7 | -66.1 | 2.3 | 0 | 0 | 0 | 120.8 | | |
| 786 | Y | 29.6 | Very low | 33.3 | Very low | 185 Ų | 185 | 149.9 Ų | 149.9 | 73% | 0.725 | 77% | 0.773 | S | S | * | * | | | | 81.5 | 131.9 | 68.2 | -91.9 | -72.9 | 0 | 0 | 0 | 114.8 | | |
| 787 | N | 30.5 | Very low | 33.4 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | 69.4 | 146.6 | 174.7 | -54.2 | -14.8 | 0 | 0 | 0 | 114.8 | | |
| 788 | T | 38.5 | Very low | 33.6 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | | | cis | -146 | 175.6 | 9.4 | -21.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 789 | S | 33.9 | Very low | 33.7 | Very low | 97 Ų | 97 | 144.7 Ų | 144.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | -54 | 149 | -170.8 | -44.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 790 | P | 36.1 | Very low | 34.1 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -87 | 105.5 | 168.6 | 33.8 | -30.8 | 0 | 0 | 0 | 111.9 | | |
| 791 | S | 35.4 | Very low | 34.3 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | trans | -145.8 | 92.1 | 174 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 792 | Y | 34.6 | Very low | 34.3 | Very low | 218 Ų | 218 | 148.6 Ų | 148.6 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | trans | -144.7 | 86.8 | 167.7 | -97 | -76.5 | 0 | 0 | 0 | 111.1 | | |
| 793 | L | 35 | Very low | 34.6 | Very low | 166 Ų | 166 | 145 Ų | 145 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | | | trans | -127.9 | 159.4 | 150.1 | -94 | 173.4 | 0 | 0 | 0 | 107 | | |
| 794 | Q | 35.5 | Very low | 34.9 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | | | trans | 68.1 | 110 | -173 | -133.1 | 68.5 | 7.2 | 0 | 0 | 115.2 | | |
| 795 | N | 36.9 | Very low | 34.9 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 65% | 0.647 | 78% | 0.775 | S | S | * | * | | | trans | -163.9 | 128.1 | 146.1 | -103.4 | -20.6 | 0 | 0 | 0 | 110.6 | | |
| 796 | F | 35.2 | Very low | 35 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | trans | 37.7 | 115.7 | 157.3 | -62.9 | -96.5 | 0 | 0 | 0 | 119.6 | | |
| 797 | L | 34.2 | Very low | 35.4 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | | 82.2 | 142.4 | 60.9 | -76.7 | 169.1 | 0 | 0 | 0 | 115.1 | | |
| 798 | A | 36.2 | Very low | 35.5 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | | | trans | 70.2 | 134.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 799 | G | 36.7 | Very low | 35.6 | Very low | 80 Ų | 80 | 141.1 Ų | 141.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | 155.3 | 58.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 800 | T | 36.4 | Very low | 35.8 | Very low | 127 Ų | 127 | 142 Ų | 142 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | trans | -78.2 | 142.4 | -177.4 | 43.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 801 | H | 37.2 | Very low | 35.8 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | | | | 174.4 | 133.2 | 123.5 | -104 | -135.4 | 0 | 0 | 0 | 113.8 | | |
| 802 | R | 31.3 | Very low | 35.9 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | 32.4 | 143.5 | 137.5 | -42.5 | -177.9 | -161.5 | -146.6 | -0.1 | 119.3 | | |
| 803 | T | 36.9 | Very low | 36.1 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | cis | -157.8 | 161.6 | 41.3 | -44.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 804 | I | 34.2 | Very low | 36.3 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | | | trans | -87.4 | 148.5 | 179.8 | -62.6 | 152.4 | 0 | 0 | 0 | 111.1 | | |
| 805 | N | 37.1 | Very low | 36.3 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | | | trans | -168.1 | 149.3 | 134.2 | -99.9 | -17.6 | 0 | 0 | 0 | 113.2 | | |
| 806 | N | 32.9 | Very low | 36.3 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | | | trans | -97.6 | 160.7 | -175.5 | -63.5 | -23.3 | 0 | 0 | 0 | 112.2 | | |
| 807 | G | 39 | Very low | 36.1 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | | | trans | -156.3 | 115.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 808 | N | 32.7 | Very low | 36.2 | Very low | 154 Ų | 154 | 130 Ų | 130 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | -84 | 150.1 | 172.3 | -87.5 | -13.3 | 0 | 0 | 0 | 110.4 | | |
| 809 | D | 40.9 | Very low | 36.4 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | | | trans | 174.3 | 154.6 | 139.1 | -90.9 | -25.5 | 0 | 0 | 0 | 109.9 | | |
| 810 | N | 38.1 | Very low | 36.3 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | | | cis | -168.9 | 135.2 | -45 | -123.6 | -44.3 | 0 | 0 | 0 | 109.2 | | |
| 811 | N | 36.1 | Very low | 36.3 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | 65.4 | 138.6 | 155.9 | -60 | -48.1 | 0 | 0 | 0 | 124.2 | | |
| 812 | S | 36.5 | Very low | 36.3 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | | | trans | 75 | 148.2 | 152.9 | 79.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 813 | A | 38.5 | Very low | 36.7 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | | | cis | -152.1 | 141.6 | 6.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 814 | V | 39.8 | Very low | 37.1 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | trans | 68 | 105.1 | 132.3 | 177.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 815 | N | 36.2 | Very low | 37 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | | | trans | 63.2 | 150.5 | 130.3 | -59.2 | 2.4 | 0 | 0 | 0 | 121.1 | | |
| 816 | S | 35.9 | Very low | 37 | Very low | 94 Ų | 94 | 123 Ų | 123 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | | | cis | -161 | 158.4 | -2.7 | -126 | 0 | 0 | 0 | 0 | 113.7 | | |
| 817 | C | 31.8 | Very low | 37 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | trans | 54.7 | 106.9 | 149.3 | -59.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 818 | L | 35.7 | Very low | 37 | Very low | 164 Ų | 164 | 126.5 Ų | 126.5 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | | | | -156.1 | 133 | 103.1 | -134.7 | 74.5 | 0 | 0 | 0 | 113.6 | | |
| 819 | V | 41.5 | Very low | 37.2 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 78% | 0.782 | 75% | 0.745 | S | S | * | * | | | trans | -4.4 | 142.4 | 143.4 | -178.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 820 | D | 34.1 | Very low | 36.9 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | | | cis | -173.2 | 163.2 | -17.4 | -167.9 | -17.8 | 0 | 0 | 0 | 106.9 | | |
| 821 | S | 36.2 | Very low | 36.9 | Very low | 90 Ų | 90 | 125 Ų | 125 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | | | trans | 47.5 | 104.6 | 157.3 | -69.1 | 0 | 0 | 0 | 0 | 119 | | |
| 822 | S | 37.8 | Very low | 36.8 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | | | | 84.3 | 130.9 | 81 | -70 | 0 | 0 | 0 | 0 | 114.2 | | |
| 823 | P | 38.6 | Very low | 36.9 | Very low | 124 Ų | 124 | 127 Ų | 127 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | | | trans | -85.6 | 147.2 | -178.9 | 34.9 | -34.5 | 0 | 0 | 0 | 112.5 | | |
| 824 | P | 45.4 | Very low | 36.6 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | trans | -90.1 | 131.2 | 177.3 | 33.7 | -32.5 | 0 | 0 | 0 | 113.3 | | |
| 825 | T | 33.2 | Very low | 36.6 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 69% | 0.693 | 73% | 0.73 | S | S | * | * | | | trans | -110.5 | 169.7 | 144.7 | 51.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 826 | D | 36.1 | Very low | 36.5 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | trans | 72.7 | 106.4 | 157.2 | -41.2 | -45.1 | 0 | 0 | 0 | 120 | | |
| 827 | D | 32.6 | Very low | 36.5 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | | | trans | 63.5 | 165.7 | 132.2 | -61.1 | -20.3 | 0 | 0 | 0 | 125 | | |
| 828 | I | 39.4 | Very low | 36.7 | Very low | 153 Ų | 153 | 130 Ų | 130 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | trans | 97.5 | 102.2 | 157.6 | -51.6 | -176.8 | 0 | 0 | 0 | 119.7 | | |
| 829 | N | 37.4 | Very low | 36.7 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | | | trans | 52.7 | 129.4 | 138.7 | -63.8 | 36 | 0 | 0 | 0 | 125.5 | | |
| 830 | D | 34.8 | Very low | 36.5 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | | | | 43.1 | 113.7 | 125.8 | -40.6 | -35.9 | 0 | 0 | 0 | 122 | | |
| 831 | N | 36.7 | Very low | 36.6 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | | | | 175.3 | 123.6 | 98 | -96.7 | -73.8 | 0 | 0 | 0 | 116.9 | | |
| 832 | I | 34.6 | Very low | 36.6 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | | | trans | 18 | 101.5 | 136.7 | -43 | 175.6 | 0 | 0 | 0 | 120.8 | | |
| 833 | H | 38.8 | Very low | 36.4 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | | | | -167.7 | 114.7 | 124.2 | -120.3 | 66.6 | 0 | 0 | 0 | 109.4 | | |
| 834 | N | 32.8 | Very low | 36.2 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | | | | 71.1 | 94.8 | 62.8 | -177.5 | 39 | 0 | 0 | 0 | 114.8 | | |
| 835 | Q | 38 | Very low | 35.8 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 66% | 0.659 | 71% | 0.711 | S | S | * | * | | | | -178.2 | 143.6 | 114.8 | -100.4 | -175.9 | 43.1 | 0 | 0 | 112.5 | | |
| 836 | N | 34.8 | Very low | 35.9 | Very low | 120 Ų | 120 | 134 Ų | 134 | 64% | 0.642 | 71% | 0.711 | S | S | * | * | | | trans | 52.3 | 135.6 | 144.6 | -52 | -9.3 | 0 | 0 | 0 | 119.2 | | |
| 837 | N | 36 | Very low | 35.8 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 65% | 0.647 | 71% | 0.711 | S | S | * | * | | | cis | -164.3 | 161.6 | 3 | -92.4 | -7 | 0 | 0 | 0 | 105.8 | | |
| 838 | N | 36.4 | Very low | 36.1 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | | | cis | -166.7 | 180 | -15.9 | -103.4 | -3.3 | 0 | 0 | 0 | 108 | | |
| 839 | N | 35.7 | Very low | 36 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | | | trans | 65.6 | 101.5 | 171.7 | -63.8 | 44 | 0 | 0 | 0 | 114.6 | | |
| 840 | E | 36.6 | Very low | 35.9 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | | | | 101.1 | 136.7 | 79.6 | -88.5 | 167 | 158.3 | 0 | 0 | 110.6 | | |
| 841 | S | 37.3 | Very low | 36 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | | | cis | -151.6 | 133.8 | -2.1 | 58 | 0 | 0 | 0 | 0 | 112.8 | | |
| 842 | V | 35.7 | Very low | 35.9 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | | | trans | 61.8 | 110.8 | 134.6 | -179.9 | 0 | 0 | 0 | 0 | 118.9 | E844 | V842-E844 HydrophobicContact CG1-CB 3.82Å; V842-E844 HydrophobicContact CG1-CG 4.48Å |
| 843 | I | 32.6 | Very low | 36 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 86% | 0.862 | 72% | 0.716 | S | S | * | * | | | trans | -75.8 | 130.6 | 144.5 | -64.2 | 162.8 | 0 | 0 | 0 | 107 | | |
| 844 | E | 35.4 | Very low | 36 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | | | trans | -132.1 | 143.1 | 169.4 | -150.8 | 164.3 | -129.5 | 0 | 0 | 111.9 | V842 | V842-E844 HydrophobicContact CG1-CB 3.82Å; V842-E844 HydrophobicContact CG1-CG 4.48Å |
| 845 | S | 36.8 | Very low | 36.3 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | | | trans | -117.4 | 128 | -176.2 | -64.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 846 | N | 34.7 | Very low | 36.4 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | | | trans | -135.9 | 109.1 | 165.4 | -72.1 | -71.2 | 0 | 0 | 0 | 106.4 | | |
| 847 | M | 35.1 | Very low | 36.6 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 70% | 0.704 | 73% | 0.732 | S | S | * | * | | | | 64.4 | 102.3 | 57.6 | -168.8 | 175.6 | 171.7 | 0 | 0 | 113 | D849 | M847-D849 VanDerWaalsContact CE-OD2 3.24Å; M847-D849 WeakPolarHBondContact CE-OD2 3.17Å |
| 848 | I | 37.5 | Very low | 36.6 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 90% | 0.903 | 74% | 0.737 | S | S | * | * | | | trans | -137.1 | 144.7 | 155.3 | -66.9 | -171.8 | 0 | 0 | 0 | 108.2 | | |
| 849 | D | 38.1 | Very low | 36.7 | Very low | 105 Ų | 105 | 138 Ų | 138 | 56% | 0.561 | 75% | 0.746 | S | S | * | * | | | trans | -104.7 | 150.4 | -157.5 | -95.9 | -38.3 | 0 | 0 | 0 | 117 | M847 | M847-D849 VanDerWaalsContact CE-OD2 3.24Å; M847-D849 WeakPolarHBondContact CE-OD2 3.17Å |
| 850 | I | 35.3 | Very low | 36.8 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 64% | 0.641 | 75% | 0.746 | S | S | * | * | | | trans | 41.7 | 108.4 | 136.5 | -45.4 | 159.6 | 0 | 0 | 0 | 119.2 | | |
| 851 | K | 36.4 | Very low | 36.8 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 85% | 0.852 | 74% | 0.743 | S | S | * | * | | | | 166.3 | 147.1 | 128.3 | -91.8 | 149.8 | -161.6 | 169 | 0 | 109.4 | | |
| 852 | K | 36 | Very low | 37.3 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | | | cis | 171.3 | 153.6 | -19 | -118.7 | -171.9 | 179 | -174.4 | 0 | 103.9 | | |
| 853 | S | 36.2 | Very low | 37.3 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | 69.3 | 145.1 | -179 | 77.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 854 | L | 38.8 | Very low | 37.5 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | | | cis | -115.2 | 163.5 | 6.1 | -79.5 | 84.2 | 0 | 0 | 0 | 114.2 | | |
| 855 | S | 39.1 | Very low | 37.4 | Very low | 97 Ų | 97 | 130 Ų | 130 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | trans | -32.1 | 139.5 | 171.6 | 45.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 856 | L | 39.5 | Very low | 37.6 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | | | | 63.3 | 147.7 | 60.2 | -70.3 | 176.1 | 0 | 0 | 0 | 114.7 | | |
| 857 | P | 40.1 | Very low | 37.7 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | | | cis | -139.9 | 157.8 | -10.4 | 37.2 | -17.7 | 0 | 0 | 0 | 118.1 | | |
| 858 | I | 35.2 | Very low | 37.9 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | trans | 35.7 | 124.8 | 131.1 | -50.1 | 161.5 | 0 | 0 | 0 | 121.3 | | |
| 859 | T | 38.1 | Very low | 37.9 | Very low | 136 Ų | 136 | 124 Ų | 124 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | | | | -161.1 | 136 | 126.4 | 36.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 860 | S | 37.8 | Very low | 37.9 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | | | trans | -23.8 | 142.8 | 161.7 | 49.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 861 | S | 37.7 | Very low | 38.1 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | | 60.8 | 151.4 | 63.1 | -52.6 | 0 | 0 | 0 | 0 | 115 | | |
| 862 | P | 46.3 | Very low | 38.2 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | cis | -147.6 | -158.3 | -30.3 | 38.7 | -16.8 | 0 | 0 | 0 | 114.3 | | |
| 863 | I | 36.9 | Very low | 38.4 | Very low | 149 Ų | 149 | 116 Ų | 116 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | | | trans | 86.1 | 129.4 | 142.5 | -86.5 | 175 | 0 | 0 | 0 | 122.3 | | |
| 864 | S | 37.1 | Very low | 38.3 | Very low | 113 Ų | 113 | 115.5 Ų | 115.5 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | | | trans | 61.5 | 167.7 | 151.1 | -74.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 865 | A | 33.6 | Very low | 38.1 | Very low | 93 Ų | 93 | 112.6 Ų | 112.6 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | | | cis | -175.5 | 134.6 | -38 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 866 | A | 39.6 | Very low | 37.7 | Very low | 87 Ų | 87 | 114.9 Ų | 114.9 | 72% | 0.719 | 74% | 0.739 | S | S | * | * | | | trans | -165.6 | 131.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 867 | T | 37.3 | Very low | 37.8 | Very low | 133 Ų | 133 | 113.4 Ų | 113.4 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | | | | 57.6 | 126.5 | 57.7 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 868 | S | 38.7 | Very low | 37.5 | Very low | 99 Ų | 99 | 116.3 Ų | 116.3 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | cis | -170.1 | 176.4 | 1.6 | 50.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 869 | S | 38 | Very low | 37.5 | Very low | 105 Ų | 105 | 113.2 Ų | 113.2 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | | | trans | 61.2 | 148.4 | 150.6 | 45.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 870 | S | 37.8 | Very low | 37.3 | Very low | 98 Ų | 98 | 111.2 Ų | 111.2 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | | | cis | -171 | -176.1 | -11 | 51.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 871 | S | 39.6 | Very low | 37.2 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | | | trans | 61.3 | 94.4 | 147.7 | 50.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 872 | T | 38.6 | Very low | 37.1 | Very low | 132 Ų | 132 | 111.2 Ų | 111.2 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | | | | -39.8 | 175.4 | 127.3 | 54.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 873 | P | 40.6 | Very low | 36.7 | Very low | 110 Ų | 110 | 113.6 Ų | 113.6 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | | | cis | -140.6 | -174.5 | -4.1 | 31.1 | -6.8 | 0 | 0 | 0 | 116.3 | | |
| 874 | S | 34.4 | Very low | 36.7 | Very low | 102 Ų | 102 | 112.7 Ų | 112.7 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | 58.7 | 124.5 | 136.5 | -72.7 | 0 | 0 | 0 | 0 | 125.4 | | |
| 875 | S | 33.6 | Very low | 36.6 | Very low | 97 Ų | 97 | 111.1 Ų | 111.1 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | | | | 85.2 | 152.3 | 122.8 | 76.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 876 | L | 31.8 | Very low | 36.7 | Very low | 144 Ų | 144 | 114.1 Ų | 114.1 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | | | trans | 67.1 | 150.2 | 168.9 | -64.2 | 150.7 | 0 | 0 | 0 | 113.7 | | |
| 877 | V | 40 | Very low | 36.6 | Very low | 122 Ų | 122 | 114.9 Ų | 114.9 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | | | cis | -146 | 158 | 34.4 | 163.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 878 | H | 35.6 | Very low | 36.6 | Very low | 163 Ų | 163 | 114.4 Ų | 114.4 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | | | trans | -20 | 170.1 | 156.9 | -56.4 | -51.4 | 0 | 0 | 0 | 121.3 | | |
| 879 | A | 35.2 | Very low | 36.5 | Very low | 84 Ų | 84 | 117.6 Ų | 117.6 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | | | cis | 178.3 | 169.1 | -25.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 880 | A | 32.2 | Very low | 36.3 | Very low | 94 Ų | 94 | 117.7 Ų | 117.7 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | | | trans | 61.7 | 164.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 881 | S | 37.4 | Very low | 36.1 | Very low | 105 Ų | 105 | 120.9 Ų | 120.9 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | | | cis | -146.7 | 137.4 | 16.3 | -52.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 882 | S | 34.4 | Very low | 35.8 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | | | | 102.4 | 134.4 | 63.7 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 883 | L | 37.4 | Very low | 35.5 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | | | trans | 72.7 | 150 | 164.9 | -54.2 | 159.7 | 0 | 0 | 0 | 115.6 | | |
| 884 | N | 36.8 | Very low | 35 | Very low | 130 Ų | 130 | 119.8 Ų | 119.8 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | | | cis | -147.6 | 158 | 7.7 | -138.4 | -3.6 | 0 | 0 | 0 | 115.4 | | |
| 885 | S | 35 | Very low | 34.9 | Very low | 80 Ų | 80 | 121.2 Ų | 121.2 | 56% | 0.559 | 70% | 0.701 | S | S | * | * | | | trans | -6 | 162.4 | 150.4 | 65.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 886 | H | 37.7 | Very low | 34.9 | Very low | 156 Ų | 156 | 123.4 Ų | 123.4 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | | | cis | -145 | 148.4 | 10.5 | -109.3 | -80.1 | 0 | 0 | 0 | 107.3 | | |
| 887 | T | 36 | Very low | 34.9 | Very low | 102 Ų | 102 | 123 Ų | 123 | 63% | 0.626 | 69% | 0.693 | S | S | * | * | | | | 42 | 148.5 | 91.8 | 99.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 888 | D | 38.7 | Very low | 34.4 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | | | cis | -162.8 | 170 | 24.7 | -119 | -41.1 | 0 | 0 | 0 | 114.9 | | |
| 889 | F | 36.4 | Very low | 34.3 | Very low | 165 Ų | 165 | 120.3 Ų | 120.3 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | | | trans | 71.7 | 125.7 | 151.9 | -84.4 | -136.7 | 0 | 0 | 0 | 119.8 | | |
| 890 | N | 34.1 | Very low | 34.1 | Very low | 107 Ų | 107 | 127 Ų | 127 | 57% | 0.572 | 69% | 0.693 | S | S | * | * | | | | 73.2 | 137.6 | 72.2 | -69.2 | -49.9 | 0 | 0 | 0 | 113.2 | | |
| 891 | K | 32.8 | Very low | 34 | Very low | 165 Ų | 165 | 127.5 Ų | 127.5 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | | | cis | -166.1 | 162.2 | 6.8 | -121.6 | 167.7 | -170.1 | 172.7 | 0 | 112.7 | | |
| 892 | T | 33.3 | Very low | 34 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 72% | 0.724 | 70% | 0.698 | S | S | * | * | | | trans | 52.8 | 132.5 | 149.1 | 53.9 | 0 | 0 | 0 | 0 | 123.1 | | |
| 893 | S | 32.5 | Very low | 34.3 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | | | trans | 70.2 | 156 | 141.2 | -73 | 0 | 0 | 0 | 0 | 120.6 | | |
| 894 | S | 30.9 | Very low | 34.3 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | | | cis | -172.9 | 160.7 | -28.3 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 895 | I | 31.8 | Very low | 34.1 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 68% | 0.677 | 70% | 0.703 | S | S | * | * | | | trans | 73.2 | 121 | 146.1 | -73.1 | 162.5 | 0 | 0 | 0 | 120.2 | | |
| 896 | F | 32.3 | Very low | 34.2 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 63% | 0.627 | 72% | 0.717 | S | S | * | * | | | trans | 72.8 | 115.5 | 154 | -63.2 | -29.6 | 0 | 0 | 0 | 123.6 | R748 | R748-F896 VanDerWaalsContact NH2-CE1 3.3Š|
| 897 | Q | 31.8 | Very low | 33.9 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 64% | 0.64 | 72% | 0.715 | S | S | * | * | | | | 31.7 | 133.9 | 98.6 | -62.2 | 174.8 | -11.8 | 0 | 0 | 117.1 | | |
| 898 | S | 30.9 | Very low | 34 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | | | cis | -174 | 176.1 | 26.9 | -138.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 899 | I | 33.4 | Very low | 33.5 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | trans | 78.4 | 110.1 | 150.9 | -68 | 158.9 | 0 | 0 | 0 | 119.8 | | |
| 900 | R | 29.7 | Very low | 33.4 | Very low | 224 Ų | 224 | 141.9 Ų | 141.9 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | | | trans | 55.9 | 109 | 138 | -71.6 | -171.2 | 173.3 | -170.5 | -1.9 | 123 | | |
| 901 | S | 31.8 | Very low | 33 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | | 57.2 | 118.1 | 120.1 | 70.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 902 | T | 36.5 | Very low | 33.1 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | | | | -147.5 | 158.2 | 127.7 | 19 | 0 | 0 | 0 | 0 | 111 | | |
| 903 | T | 40.2 | Very low | 33.2 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -74.5 | 175.5 | 170.4 | 46.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 904 | P | 38.8 | Very low | 33.8 | Very low | 113 Ų | 113 | 142 Ų | 142 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | cis | -145.5 | -170.4 | 21 | 44.6 | -24 | 0 | 0 | 0 | 117.7 | | |
| 905 | N | 32 | Very low | 34 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | | | trans | -25.4 | 141.1 | 162.2 | -49.9 | -33.7 | 0 | 0 | 0 | 116.3 | | |
| 906 | H | 37.2 | Very low | 34.2 | Very low | 186 Ų | 186 | 144 Ų | 144 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | | | | -150 | 136.3 | 127.9 | -129.3 | -78.7 | 0 | 0 | 0 | 114.9 | | |
| 907 | I | 31.1 | Very low | 34.3 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 68% | 0.677 | 76% | 0.763 | S | S | * | * | | | trans | -64.4 | 141.5 | 176 | -65 | 151.4 | 0 | 0 | 0 | 111.2 | | |
| 908 | K | 37.7 | Very low | 34.5 | Very low | 200 Ų | 200 | 143.6 Ų | 143.6 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | | | trans | -158.3 | 116.7 | 143.9 | -108.4 | 158.4 | -170.5 | 177.3 | 0 | 111.1 | | |
| 909 | N | 28.5 | Very low | 34.8 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | -69.5 | 146.1 | 168.3 | -56 | -26.1 | 0 | 0 | 0 | 109.3 | | |
| 910 | Y | 33.7 | Very low | 35 | Very low | 229 Ų | 229 | 145.8 Ų | 145.8 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | | | trans | -153.4 | 138.5 | 134.4 | -97 | -64.4 | 0 | 0 | 0 | 110.7 | | |
| 911 | S | 26.9 | Very low | 35.3 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -78.2 | 152.1 | 171.7 | 44.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 912 | I | 35.1 | Very low | 35.6 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | | | trans | -163 | 142.9 | 143.8 | -100.2 | 145.5 | 0 | 0 | 0 | 108.9 | | |
| 913 | T | 35.2 | Very low | 35.8 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | | | trans | -81.7 | 149.3 | 178.7 | 43 | 0 | 0 | 0 | 0 | 112.4 | T915 | T913-T915 PolarHBondContact O-N 3.28Š|
| 914 | P | 44.7 | Very low | 35.8 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | | | trans | -77.2 | 100.9 | 167 | 31.8 | -31.7 | 0 | 0 | 0 | 110.2 | I916 | P914-I916 PolarHBondContact O-N 2.94Š|
| 915 | T | 34.7 | Very low | 35.7 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | -76.6 | 114 | 169.1 | -48.1 | 0 | 0 | 0 | 0 | 109.1 | T913 | T913-T915 PolarHBondContact O-N 3.28Š|
| 916 | I | 36.6 | Very low | 36.1 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | | | trans | -87.3 | 115.1 | 170.9 | -63.1 | 174.7 | 0 | 0 | 0 | 108.1 | P914 E918 | P914-I916 PolarHBondContact O-N 2.94Å; I916-E918 HydrophobicContact CG2-CG 4.07Å |
| 917 | T | 34.3 | Very low | 36.1 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | -115.8 | 89.1 | 173.2 | -52.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 918 | E | 35.6 | Very low | 36.3 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | -94 | 105.9 | 170 | -73.6 | -167 | 149.2 | 0 | 0 | 110.3 | I916 I920 | I916-E918 HydrophobicContact CG2-CG 4.07Å; E918-I920 VanDerWaalsContact C-N 3.28Å; E918-I920 PolarHBondContact O-N 2.92Å |
| 919 | T | 36.7 | Very low | 36.4 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | | | trans | -80 | 75.7 | 174.5 | -41.1 | 0 | 0 | 0 | 0 | 110.2 | N921 | T919-N921 PolarHBondContact O-N 3.31Š|
| 920 | I | 37.2 | Very low | 37.2 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | trans | -65.9 | 126.3 | 168.5 | -59.6 | 176.2 | 0 | 0 | 0 | 108.1 | E918 | E918-I920 VanDerWaalsContact C-N 3.28Å; E918-I920 PolarHBondContact O-N 2.92Å |
| 921 | N | 37.8 | Very low | 37.5 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | | | trans | -140.6 | 105.5 | 174 | -142.7 | 9 | 0 | 0 | 0 | 111.1 | T919 | T919-N921 PolarHBondContact O-N 3.31Š|
| 922 | N | 37.5 | Very low | 38.1 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | | | trans | 59.3 | 112.6 | 154.6 | -51 | -27.5 | 0 | 0 | 0 | 119.7 | | |
| 923 | N | 39.6 | Very low | 39 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | | | | -154.1 | 113 | 121.4 | -94.3 | -54 | 0 | 0 | 0 | 110.7 | | |
| 924 | N | 41 | Very low | 39.9 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | | | trans | 61 | 90.7 | 145.5 | -47.3 | -18.7 | 0 | 0 | 0 | 119.8 | | |
| 925 | D | 35.8 | Very low | 40.4 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | | | | 49.5 | 160.3 | 118.4 | -60.1 | -52.5 | 0 | 0 | 0 | 124 | | |
| 926 | L | 42 | Very low | 41.6 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 83% | 0.832 | 69% | 0.686 | S | S | * | * | | | trans | 78.5 | 66.8 | 166.6 | -57.9 | 170 | 0 | 0 | 0 | 118.7 | | |
| 927 | N | 36.4 | Very low | 42.6 | Very low | 140 Ų | 140 | 127 Ų | 127 | 75% | 0.749 | 69% | 0.686 | S | S | * | * | | | | -173.1 | 100.3 | 120.9 | -107.8 | -72.3 | 0 | 0 | 0 | 112.7 | | |
| 928 | I | 35.9 | Very low | 44.1 | Very low | 177 Ų | 177 | 126.1 Ų | 126.1 | 91% | 0.908 | 68% | 0.677 | S | S | * | * | | | trans | -120.1 | 94.6 | 174.5 | -56.8 | 178.9 | 0 | 0 | 0 | 109.4 | | |
| 929 | S | 39.2 | Very low | 45.4 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 77% | 0.769 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -166.7 | -40.9 | 163.5 | -166.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 930 | S | 44.1 | Very low | 46.9 | Very low | 69 Ų | 69 | 122 Ų | 122 | 48% | 0.483 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | -14.6 | -160.6 | 42.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 931 | N | 41.2 | Very low | 48.3 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 61% | 0.61 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -10.3 | -172.6 | -81.3 | -24.5 | 0 | 0 | 0 | 115.6 | | |
| 932 | C | 39.5 | Very low | 49.6 | Very low | 87 Ų | 87 | 119.3 Ų | 119.3 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.6 | -47.4 | -176.2 | -165 | 0 | 0 | 0 | 0 | 111.9 | I934 N935 D936 | C932-I934 VanDerWaalsContact C-N 3.31Å; C932-I934 PolarHBondContact O-N 3.27Å; C932-N935 PolarHBondContact O-N 3.12Å; C932-D936 PolarHBondContact O-N 3.45Å |
| 933 | T | 54 | Low | 51.1 | Low | 98 Ų | 98 | 119.7 Ų | 119.7 | 60% | 0.601 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.4 | -20.8 | -175.7 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | R937 | T933-R937 WeakPolarHBondContact O-CB 3.38Å; T933-R937 PolarHBondContact O-N 2.93Å; T933-R937 VanDerWaalsContact O-N 3.15Å |
| 934 | I | 54.5 | Low | 52.6 | Low | 95 Ų | 95 | 117.3 Ų | 117.3 | 49% | 0.487 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74.3 | -44.6 | 178 | -61.3 | 177.8 | 0 | 0 | 0 | 110.5 | C932 R937 L938 | C932-I934 VanDerWaalsContact C-N 3.31Å; C932-I934 PolarHBondContact O-N 3.27Å; I934-R937 PolarHBondContact O-N 3.03Å; I934-L938 PolarHBondContact O-N 2.69Å |
| 935 | N | 54.3 | Low | 53.6 | Low | 100 Ų | 100 | 118.7 Ų | 118.7 | 54% | 0.535 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.4 | -39.4 | 178.4 | -74.1 | -27.4 | 0 | 0 | 0 | 111.8 | C932 L938 N939 | C932-N935 PolarHBondContact O-N 3.12Å; N935-L938 PolarHBondContact O-N 3.06Å; N935-N939 PolarHBondContact O-N 3.12Å |
| 936 | D | 59.4 | Low | 55 | Low | 87 Ų | 87 | 116.3 Ų | 116.3 | 47% | 0.465 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.5 | -41.4 | 174.1 | -69.7 | -22.2 | 0 | 0 | 0 | 112 | C932 N939 I940 | C932-D936 PolarHBondContact O-N 3.45Å; D936-N939 PolarHBondContact O-N 3.23Å; D936-I940 WeakPolarHBondContact O-CB 3.41Å; D936-I940 WeakPolarHBondContact O-CD1 3.42Å; D936-I940 VanDerWaalsContact O-CG1 3.25Å; D936-I940 WeakPolarHBondContact O-CG1 3.22Å; D936-I940 PolarHBondContact O-N 3.41Å |
| 937 | R | 58.2 | Low | 56.2 | Low | 200 Ų | 200 | 112 Ų | 112 | 76% | 0.755 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.8 | -40 | 172.3 | -90 | -173.7 | 160.4 | -163.7 | -4.6 | 112.6 | T933 I934 I940 E941 | T933-R937 WeakPolarHBondContact O-CB 3.38Å; T933-R937 PolarHBondContact O-N 2.93Å; T933-R937 VanDerWaalsContact O-N 3.15Å; I934-R937 PolarHBondContact O-N 3.03Å; R937-I940 PolarHBondContact O-N 3.48Å; R937-E941 PolarHBondContact O-N 3.31Å |
| 938 | L | 65.7 | Low | 57.6 | Low | 98 Ų | 98 | 111.9 Ų | 111.9 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.5 | -45.6 | 176.1 | -121 | 80.7 | 0 | 0 | 0 | 111.4 | I934 N935 E941 Q942 | I934-L938 PolarHBondContact O-N 2.69Å; N935-L938 PolarHBondContact O-N 3.06Å; L938-E941 PolarHBondContact O-N 3.24Å; L938-Q942 WeakPolarHBondContact O-CB 3.29Å; L938-Q942 WeakPolarHBondContact O-CG 3.44Å; L938-Q942 PolarHBondContact O-N 3.11Å |
| 939 | N | 63.8 | Low | 58.9 | Low | 100 Ų | 100 | 106.4 Ų | 106.4 | 54% | 0.535 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -43.8 | 176.3 | -87 | -23.8 | 0 | 0 | 0 | 111.7 | N935 D936 Q942 H943 | N935-N939 PolarHBondContact O-N 3.12Å; D936-N939 PolarHBondContact O-N 3.23Å; N939-Q942 PolarHBondContact O-N 3.44Å; N939-H943 WeakPolarHBondContact O-CB 3.27Å; N939-H943 PolarHBondContact O-N 3.41Å |
| 940 | I | 68.5 | Low | 60.1 | Low | 95 Ų | 95 | 105.2 Ų | 105.2 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 178.1 | -71.1 | 165.1 | 0 | 0 | 0 | 111.5 | D936 R937 H943 K944 | D936-I940 WeakPolarHBondContact O-CB 3.41Å; D936-I940 WeakPolarHBondContact O-CD1 3.42Å; D936-I940 VanDerWaalsContact O-CG1 3.25Å; D936-I940 WeakPolarHBondContact O-CG1 3.22Å; D936-I940 PolarHBondContact O-N 3.41Å; R937-I940 PolarHBondContact O-N 3.48Å; I940-H943 PolarHBondContact O-N 2.96Å; I940-K944 HydrophobicContact CG2-CD 4.4Å; I940-K944 WeakPolarHBondContact O-CG 3.41Å; I940-K944 PolarHBondContact O-N 2.98Å |
| 941 | E | 66 | Low | 61.4 | Low | 109 Ų | 109 | 107.5 Ų | 107.5 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.6 | -37.8 | 175.6 | -72.4 | -56 | 130.9 | 0 | 0 | 112.5 | R937 L938 H943 K944 F945 | R937-E941 PolarHBondContact O-N 3.31Å; L938-E941 PolarHBondContact O-N 3.24Å; E941-H943 VanDerWaalsContact C-N 3.35Å; E941-H943 PolarHBondContact O-N 2.9Å; E941-K944 PolarHBondContact O-N 2.86Å; E941-K944 WeakPolarHBondContact OE1-CD 3.37Å; E941-K944 WeakPolarHBondContact OE1-CE 3.17Å; E941-K944 IonicContact OE1-NZ 2.65Å; E941-K944 PolarHBondContact OE1-NZ 3.22Å; E941-F945 WeakPolarHBondContact O-CB 3.4Å; E941-F945 PolarHBondContact O-N 3.04Å |
| 942 | Q | 64.6 | Low | 62.6 | Low | 110 Ų | 110 | 110.7 Ų | 110.7 | 51% | 0.514 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 171.2 | -74.1 | -175.7 | 28.4 | 0 | 0 | 111.6 | L938 N939 K944 F945 L946 | L938-Q942 WeakPolarHBondContact O-CB 3.29Å; L938-Q942 WeakPolarHBondContact O-CG 3.44Å; L938-Q942 PolarHBondContact O-N 3.11Å; N939-Q942 PolarHBondContact O-N 3.44Å; Q942-K944 PolarHBondContact O-N 2.88Å; Q942-F945 PolarHBondContact O-N 3.2Å; Q942-F945 VanDerWaalsContact O-N 3.13Å; Q942-L946 WeakPolarHBondContact O-CD1 3.34Å; Q942-L946 PolarHBondContact O-N 3.44Å |
| 943 | H | 70 | Confident | 64 | Low | 133 Ų | 133 | 111.9 Ų | 111.9 | 62% | 0.616 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.9 | -35.9 | 178.3 | -135.5 | -79.6 | 0 | 0 | 0 | 112.5 | N939 I940 E941 T947 | N939-H943 WeakPolarHBondContact O-CB 3.27Å; N939-H943 PolarHBondContact O-N 3.41Å; I940-H943 PolarHBondContact O-N 2.96Å; E941-H943 VanDerWaalsContact C-N 3.35Å; E941-H943 PolarHBondContact O-N 2.9Å; H943-T947 WeakPolarHBondContact O-CB 3.42Å; H943-T947 WeakPolarHBondContact O-CG2 3.49Å; H943-T947 PolarHBondContact O-N 3.44Å; H943-T947 PolarHBondContact O-OG1 3.43Å |
| 944 | K | 70 | Confident | 64.8 | Low | 99 Ų | 99 | 114.8 Ų | 114.8 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65 | -37.3 | 169.4 | -73.8 | 172.2 | -172 | 171.9 | 0 | 112.3 | I940 E941 Q942 T947 K948 | I940-K944 HydrophobicContact CG2-CD 4.4Å; I940-K944 WeakPolarHBondContact O-CG 3.41Å; I940-K944 PolarHBondContact O-N 2.98Å; E941-K944 PolarHBondContact O-N 2.86Å; E941-K944 WeakPolarHBondContact OE1-CD 3.37Å; E941-K944 WeakPolarHBondContact OE1-CE 3.17Å; E941-K944 IonicContact OE1-NZ 2.65Å; E941-K944 PolarHBondContact OE1-NZ 3.22Å; Q942-K944 PolarHBondContact O-N 2.88Å; K944-T947 VanDerWaalsContact CA-OG1 3.32Å; K944-T947 WeakPolarHBondContact CA-OG1 3.34Å; K944-T947 PolarHBondContact O-OG1 2.89Å; K944-T947 VanDerWaalsContact O-OG1 3.13Å; K944-K948 WeakPolarHBondContact O-CB 3.49Å; K944-K948 WeakPolarHBondContact O-CG 3.28Å; K944-K948 PolarHBondContact O-N 3.35Å |
| 945 | F | 62.8 | Low | 65.3 | Low | 160 Ų | 160 | 115.9 Ų | 115.9 | 70% | 0.702 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.9 | -42.9 | 178.7 | -150 | -83.6 | 0 | 0 | 0 | 111.3 | E941 Q942 S949 | E941-F945 WeakPolarHBondContact O-CB 3.4Å; E941-F945 PolarHBondContact O-N 3.04Å; Q942-F945 PolarHBondContact O-N 3.2Å; Q942-F945 VanDerWaalsContact O-N 3.13Å; F945-S949 WeakPolarHBondContact O-CB 3.34Å; F945-S949 PolarHBondContact O-N 3.47Å |
| 946 | L | 64.2 | Low | 65.6 | Low | 103 Ų | 103 | 116.8 Ų | 116.8 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.1 | -45.5 | 173.7 | -97.1 | 66.6 | 0 | 0 | 0 | 112 | Q942 S949 N950 | Q942-L946 WeakPolarHBondContact O-CD1 3.34Å; Q942-L946 PolarHBondContact O-N 3.44Å; L946-S949 WeakPolarHBondContact O-CB 3.37Å; L946-S949 PolarHBondContact O-N 3.13Å; L946-N950 WeakPolarHBondContact O-CB 3.29Å; L946-N950 VanDerWaalsContact O-CG 3.25Å; L946-N950 PolarHBondContact O-N 3.3Å; L946-N950 PolarHBondContact O-OD1 2.98Å |
| 947 | T | 67.3 | Low | 65.8 | Low | 68 Ų | 68 | 118.3 Ų | 118.3 | 42% | 0.417 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.1 | -45 | 177.3 | 43.3 | 0 | 0 | 0 | 0 | 112.1 | H943 K944 S949 N950 E951 | H943-T947 WeakPolarHBondContact O-CB 3.42Å; H943-T947 WeakPolarHBondContact O-CG2 3.49Å; H943-T947 PolarHBondContact O-N 3.44Å; H943-T947 PolarHBondContact O-OG1 3.43Å; K944-T947 VanDerWaalsContact CA-OG1 3.32Å; K944-T947 WeakPolarHBondContact CA-OG1 3.34Å; K944-T947 PolarHBondContact O-OG1 2.89Å; K944-T947 VanDerWaalsContact O-OG1 3.13Å; T947-S949 VanDerWaalsContact C-N 3.3Å; T947-S949 PolarHBondContact O-N 3.4Å; T947-N950 PolarHBondContact O-N 2.87Å; T947-E951 WeakPolarHBondContact O-CG 3.35Å; T947-E951 PolarHBondContact O-N 2.82Å |
| 948 | K | 66.5 | Low | 65.9 | Low | 138 Ų | 138 | 113.2 Ų | 113.2 | 60% | 0.6 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.8 | -29 | 173.4 | -74.5 | -177.3 | 176.2 | -178.8 | 0 | 113.8 | K944 R952 | K944-K948 WeakPolarHBondContact O-CB 3.49Å; K944-K948 WeakPolarHBondContact O-CG 3.28Å; K944-K948 PolarHBondContact O-N 3.35Å; K948-R952 WeakPolarHBondContact O-CB 3.5Å; K948-R952 WeakPolarHBondContact O-CG 3.49Å; K948-R952 PolarHBondContact O-N 3.15Å; K948-R952 VanDerWaalsContact O-N 3.12Å |
| 949 | S | 63.5 | Low | 65.4 | Low | 61 Ų | 61 | 113.1 Ų | 113.1 | 43% | 0.427 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.7 | -49 | 171.6 | -164.9 | 0 | 0 | 0 | 0 | 110.5 | F945 L946 T947 E951 R952 E953 | F945-S949 WeakPolarHBondContact O-CB 3.34Å; F945-S949 PolarHBondContact O-N 3.47Å; L946-S949 WeakPolarHBondContact O-CB 3.37Å; L946-S949 PolarHBondContact O-N 3.13Å; T947-S949 VanDerWaalsContact C-N 3.3Å; T947-S949 PolarHBondContact O-N 3.4Å; S949-E951 VanDerWaalsContact C-N 3.32Å; S949-E951 PolarHBondContact O-N 3.26Å; S949-R952 PolarHBondContact O-N 3.45Å; S949-E953 WeakPolarHBondContact O-CB 3.4Å; S949-E953 PolarHBondContact O-N 3.29Å |
| 950 | N | 64.5 | Low | 65 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 46% | 0.46 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.9 | -32 | 179.3 | -67.4 | -0 | 0 | 0 | 0 | 112.5 | L946 T947 K954 | L946-N950 WeakPolarHBondContact O-CB 3.29Å; L946-N950 VanDerWaalsContact O-CG 3.25Å; L946-N950 PolarHBondContact O-N 3.3Å; L946-N950 PolarHBondContact O-OD1 2.98Å; T947-N950 PolarHBondContact O-N 2.87Å; N950-K954 WeakPolarHBondContact O-CB 3.32Å; N950-K954 VanDerWaalsContact O-CG 3.29Å; N950-K954 WeakPolarHBondContact O-CG 3.45Å; N950-K954 PolarHBondContact O-N 3.17Å |
| 951 | E | 71.8 | Confident | 64.1 | Low | 117 Ų | 117 | 111.9 Ų | 111.9 | 55% | 0.547 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.2 | -43.4 | 171.4 | -76.6 | -176.7 | 157 | 0 | 0 | 112 | T947 S949 K954 Q955 | T947-E951 WeakPolarHBondContact O-CG 3.35Å; T947-E951 PolarHBondContact O-N 2.82Å; S949-E951 VanDerWaalsContact C-N 3.32Å; S949-E951 PolarHBondContact O-N 3.26Å; E951-K954 PolarHBondContact O-N 3.2Å; E951-Q955 WeakPolarHBondContact O-CB 3.32Å; E951-Q955 VanDerWaalsContact O-CG 3.31Å; E951-Q955 WeakPolarHBondContact O-CG 3.4Å; E951-Q955 PolarHBondContact O-N 2.76Å |
| 952 | R | 66.3 | Low | 63.3 | Low | 181 Ų | 181 | 113.2 Ų | 113.2 | 68% | 0.683 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.9 | -39 | 173.9 | -80.1 | 177.6 | 168.4 | 169.1 | -3.3 | 112.3 | K948 S949 Q955 L956 | K948-R952 WeakPolarHBondContact O-CB 3.5Å; K948-R952 WeakPolarHBondContact O-CG 3.49Å; K948-R952 PolarHBondContact O-N 3.15Å; K948-R952 VanDerWaalsContact O-N 3.12Å; S949-R952 PolarHBondContact O-N 3.45Å; R952-Q955 PolarHBondContact O-N 3.06Å; R952-L956 WeakPolarHBondContact O-CB 3.46Å; R952-L956 VanDerWaalsContact O-CG 3.28Å; R952-L956 WeakPolarHBondContact O-CG 3.33Å; R952-L956 PolarHBondContact O-N 3.46Å |
| 953 | E | 68.2 | Low | 62.4 | Low | 111 Ų | 111 | 114.4 Ų | 114.4 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.7 | -43.1 | 175.9 | -168.8 | 161.8 | -137.1 | 0 | 0 | 110.8 | S949 Q955 L956 L957 | S949-E953 WeakPolarHBondContact O-CB 3.4Å; S949-E953 PolarHBondContact O-N 3.29Å; E953-Q955 PolarHBondContact O-N 3.43Å; E953-L956 PolarHBondContact O-N 2.92Å; E953-L957 HydrophobicContact CG-CD1 3.88Å; E953-L957 VanDerWaalsContact O-CD1 3.23Å; E953-L957 WeakPolarHBondContact O-CD1 3.25Å; E953-L957 PolarHBondContact O-N 3.22Å |
| 954 | K | 71.7 | Confident | 61.2 | Low | 159 Ų | 159 | 114.7 Ų | 114.7 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.1 | -41 | 169.8 | -79 | 179.4 | 177.6 | -176.2 | 0 | 112.9 | N950 E951 L957 N958 | N950-K954 WeakPolarHBondContact O-CB 3.32Å; N950-K954 VanDerWaalsContact O-CG 3.29Å; N950-K954 WeakPolarHBondContact O-CG 3.45Å; N950-K954 PolarHBondContact O-N 3.17Å; E951-K954 PolarHBondContact O-N 3.2Å; K954-L957 PolarHBondContact O-N 3.24Å; K954-N958 WeakPolarHBondContact O-CB 3.33Å; K954-N958 PolarHBondContact O-N 3.43Å |
| 955 | Q | 65 | Low | 59.8 | Low | 119 Ų | 119 | 116.6 Ų | 116.6 | 56% | 0.556 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.8 | -40.4 | 175.4 | -74.9 | 172.7 | 7.3 | 0 | 0 | 111.8 | E951 R952 E953 N958 N959 | E951-Q955 WeakPolarHBondContact O-CB 3.32Å; E951-Q955 VanDerWaalsContact O-CG 3.31Å; E951-Q955 WeakPolarHBondContact O-CG 3.4Å; E951-Q955 PolarHBondContact O-N 2.76Å; R952-Q955 PolarHBondContact O-N 3.06Å; E953-Q955 PolarHBondContact O-N 3.43Å; Q955-N958 PolarHBondContact O-N 2.89Å; Q955-N959 VanDerWaalsContact O-CB 3.32Å; Q955-N959 WeakPolarHBondContact O-CB 3.41Å; Q955-N959 PolarHBondContact O-N 3.28Å; Q955-N959 PolarHBondContact O-OD1 2.98Å |
| 956 | L | 60.5 | Low | 58.7 | Low | 119 Ų | 119 | 116.5 Ų | 116.5 | 62% | 0.623 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.7 | -43.3 | 174.7 | -73.9 | 166.1 | 0 | 0 | 0 | 111.7 | R952 E953 N959 H960 | R952-L956 WeakPolarHBondContact O-CB 3.46Å; R952-L956 VanDerWaalsContact O-CG 3.28Å; R952-L956 WeakPolarHBondContact O-CG 3.33Å; R952-L956 PolarHBondContact O-N 3.46Å; E953-L956 PolarHBondContact O-N 2.92Å; L956-N959 PolarHBondContact O-N 3.29Å; L956-H960 WeakPolarHBondContact O-CB 3.49Å; L956-H960 PolarHBondContact O-N 3.32Å |
| 957 | L | 62 | Low | 57.6 | Low | 118 Ų | 118 | 116.4 Ų | 116.4 | 62% | 0.618 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.8 | -41.1 | 172.4 | -92 | 104.5 | 0 | 0 | 0 | 112.2 | E953 K954 N959 S961 | E953-L957 HydrophobicContact CG-CD1 3.88Å; E953-L957 VanDerWaalsContact O-CD1 3.23Å; E953-L957 WeakPolarHBondContact O-CD1 3.25Å; E953-L957 PolarHBondContact O-N 3.22Å; K954-L957 PolarHBondContact O-N 3.24Å; L957-N959 VanDerWaalsContact C-N 3.31Å; L957-N959 PolarHBondContact O-N 3.3Å; L957-S961 VanDerWaalsContact O-CB 3.24Å; L957-S961 WeakPolarHBondContact O-CB 3.49Å; L957-S961 PolarHBondContact O-N 3.49Å; L957-S961 PolarHBondContact O-OG 3.28Å; L957-S961 VanDerWaalsContact O-OG 3.14Å |
| 958 | N | 60.5 | Low | 56.2 | Low | 94 Ų | 94 | 120.1 Ų | 120.1 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -76.4 | -18.3 | -178.2 | -151.1 | 6.2 | 0 | 0 | 0 | 113.1 | K954 Q955 S961 K962 | K954-N958 WeakPolarHBondContact O-CB 3.33Å; K954-N958 PolarHBondContact O-N 3.43Å; Q955-N958 PolarHBondContact O-N 2.89Å; N958-S961 WeakPolarHBondContact CA-OG 3.48Å; N958-S961 PolarHBondContact O-OG 2.71Å; N958-K962 WeakPolarHBondContact O-CD 3.3Å; N958-K962 WeakPolarHBondContact O-CG 3.44Å |
| 959 | N | 55.3 | Low | 54.8 | Low | 95 Ų | 95 | 118.6 Ų | 118.6 | 51% | 0.508 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -85.9 | -45.7 | 170.7 | -70.2 | -3.6 | 0 | 0 | 0 | 110.8 | Q955 L956 L957 S961 K962 E963 | Q955-N959 VanDerWaalsContact O-CB 3.32Å; Q955-N959 WeakPolarHBondContact O-CB 3.41Å; Q955-N959 PolarHBondContact O-N 3.28Å; Q955-N959 PolarHBondContact O-OD1 2.98Å; L956-N959 PolarHBondContact O-N 3.29Å; L957-N959 VanDerWaalsContact C-N 3.31Å; L957-N959 PolarHBondContact O-N 3.3Å; N959-S961 VanDerWaalsContact C-N 3.29Å; N959-S961 PolarHBondContact O-N 3.43Å; N959-K962 WeakPolarHBondContact O-CA 3.36Å; N959-K962 WeakPolarHBondContact O-CB 3.24Å; N959-K962 PolarHBondContact O-N 3.25Å; N959-E963 PolarHBondContact O-N 3.37Å |
| 960 | H | 55.2 | Low | 53.6 | Low | 117 Ų | 117 | 124 Ų | 124 | 54% | 0.542 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63 | -33.6 | 171.7 | -95.1 | 0.2 | 0 | 0 | 0 | 112.3 | L956 K962 E963 L964 | L956-H960 WeakPolarHBondContact O-CB 3.49Å; L956-H960 PolarHBondContact O-N 3.32Å; H960-K962 PolarHBondContact O-N 3.44Å; H960-E963 IonicContact CE1-OE2 2.58Å; H960-E963 PolarHBondContact CE1-OE2 2.95Å; H960-E963 IonicContact CG-OE2 3.73Å; H960-E963 IonicContact ND1-OE2 2.93Å; H960-E963 PolarHBondContact ND1-OE2 2.93Å; H960-E963 PolarHBondContact O-N 2.95Å; H960-L964 WeakPolarHBondContact O-CB 3.35Å; H960-L964 WeakPolarHBondContact O-CD1 3.34Å; H960-L964 WeakPolarHBondContact O-CG 3.3Å; H960-L964 PolarHBondContact O-N 3.44Å |
| 961 | S | 49.9 | Very low | 52.1 | Low | 52 Ų | 52 | 124.8 Ų | 124.8 | 36% | 0.364 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73.7 | 0.4 | 172.2 | 73.3 | 0 | 0 | 0 | 0 | 113.9 | L957 N958 N959 I965 | L957-S961 VanDerWaalsContact O-CB 3.24Å; L957-S961 WeakPolarHBondContact O-CB 3.49Å; L957-S961 PolarHBondContact O-N 3.49Å; L957-S961 PolarHBondContact O-OG 3.28Å; L957-S961 VanDerWaalsContact O-OG 3.14Å; N958-S961 WeakPolarHBondContact CA-OG 3.48Å; N958-S961 PolarHBondContact O-OG 2.71Å; N959-S961 VanDerWaalsContact C-N 3.29Å; N959-S961 PolarHBondContact O-N 3.43Å; S961-I965 VanDerWaalsContact O-CD1 3.24Å; S961-I965 WeakPolarHBondContact O-CD1 3.47Å; S961-I965 VanDerWaalsContact O-CG1 3.28Å; S961-I965 WeakPolarHBondContact O-CG1 3.49Å |
| 962 | K | 49.5 | Very low | 50.4 | Low | 137 Ų | 137 | 123.8 Ų | 123.8 | 60% | 0.596 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -105.4 | -41.3 | 168 | -71.7 | 176.7 | -179.6 | -172.8 | 0 | 110.9 | N958 N959 H960 L964 I965 | N958-K962 WeakPolarHBondContact O-CD 3.3Å; N958-K962 WeakPolarHBondContact O-CG 3.44Å; N959-K962 WeakPolarHBondContact O-CA 3.36Å; N959-K962 WeakPolarHBondContact O-CB 3.24Å; N959-K962 PolarHBondContact O-N 3.25Å; H960-K962 PolarHBondContact O-N 3.44Å; K962-L964 PolarHBondContact O-N 3.48Å; K962-I965 CarbonylContact O-C 3.59Å; K962-I965 PolarHBondContact O-N 3.07Å |
| 963 | E | 45.8 | Very low | 49 | Very low | 136 Ų | 136 | 121.1 Ų | 121.1 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.9 | -17.1 | 168.4 | -66.4 | 176.8 | 125.9 | 0 | 0 | 113.4 | N959 H960 | N959-E963 PolarHBondContact O-N 3.37Å; H960-E963 IonicContact CE1-OE2 2.58Å; H960-E963 PolarHBondContact CE1-OE2 2.95Å; H960-E963 IonicContact CG-OE2 3.73Å; H960-E963 IonicContact ND1-OE2 2.93Å; H960-E963 PolarHBondContact ND1-OE2 2.93Å; H960-E963 PolarHBondContact O-N 2.95Å |
| 964 | L | 43.7 | Very low | 47.3 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 72% | 0.723 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 6.9 | 173.8 | -67.9 | 167.8 | 0 | 0 | 0 | 113.6 | H960 K962 | H960-L964 WeakPolarHBondContact O-CB 3.35Å; H960-L964 WeakPolarHBondContact O-CD1 3.34Å; H960-L964 WeakPolarHBondContact O-CG 3.3Å; H960-L964 PolarHBondContact O-N 3.44Å; K962-L964 PolarHBondContact O-N 3.48Å |
| 965 | I | 42.3 | Very low | 45.6 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -132.5 | 47.8 | 173.7 | -46 | 178.3 | 0 | 0 | 0 | 109.4 | S961 K962 | S961-I965 VanDerWaalsContact O-CD1 3.24Å; S961-I965 WeakPolarHBondContact O-CD1 3.47Å; S961-I965 VanDerWaalsContact O-CG1 3.28Å; S961-I965 WeakPolarHBondContact O-CG1 3.49Å; K962-I965 CarbonylContact O-C 3.59Å; K962-I965 PolarHBondContact O-N 3.07Å |
| 966 | E | 39.4 | Very low | 44.1 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -108.9 | 150.2 | 153 | -71.7 | -167.2 | 158 | 0 | 0 | 108.3 | | |
| 967 | P | 40.1 | Very low | 42.8 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 66% | 0.656 | 67% | 0.667 | S | S | * | * | | | trans | -74.4 | 147.1 | -160.6 | 29.5 | -36.4 | 0 | 0 | 0 | 114 | D969 | P967-D969 WeakPolarHBondContact CB-OD2 3.49Å; P967-D969 PolarHBondContact O-N 3.35Å |
| 968 | I | 39.5 | Very low | 41.6 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 74% | 0.744 | 68% | 0.677 | S | S | * | * | | | trans | -84.9 | 50.7 | -178.6 | -44.3 | 178.4 | 0 | 0 | 0 | 110.5 | C971 | I968-C971 HydrophobicContact CG2-CB 4.4Š|
| 969 | D | 35.9 | Very low | 40.2 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 57% | 0.567 | 69% | 0.692 | S | S | * | * | | | trans | -90.1 | -30.6 | -173.8 | -72.3 | -34.3 | 0 | 0 | 0 | 113.3 | P967 C971 I972 | P967-D969 WeakPolarHBondContact CB-OD2 3.49Å; P967-D969 PolarHBondContact O-N 3.35Å; D969-C971 PolarHBondContact O-N 2.9Å; D969-I972 PolarHBondContact O-N 3.17Å |
| 970 | D | 37.8 | Very low | 39.3 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 93% | 0.93 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 8.2 | 179.6 | -89 | -16.5 | 0 | 0 | 0 | 114.9 | | |
| 971 | C | 34.7 | Very low | 38.4 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 70% | 0.703 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 5.9 | -176.4 | -151.2 | 0 | 0 | 0 | 0 | 114.6 | I968 D969 | I968-C971 HydrophobicContact CG2-CB 4.4Å; D969-C971 PolarHBondContact O-N 2.9Å |
| 972 | I | 36.1 | Very low | 37.9 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 49% | 0.492 | 75% | 0.749 | S | S | . | * | S | Bend | trans | -100.7 | -23.6 | -173.5 | -64.7 | 179.2 | 0 | 0 | 0 | 113.1 | D969 Y974 K975 | D969-I972 PolarHBondContact O-N 3.17Å; I972-Y974 PolarHBondContact O-N 2.93Å; I972-K975 PolarHBondContact O-N 3.5Å |
| 973 | T | 36.4 | Very low | 37.5 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -9.6 | -173.1 | -35.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 974 | Y | 32.5 | Very low | 36.8 | Very low | 226 Ų | 226 | 143.8 Ų | 143.8 | 89% | 0.886 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 12.6 | 175.8 | -102 | -78 | 0 | 0 | 0 | 114.9 | I972 | I972-Y974 PolarHBondContact O-N 2.93Š|
| 975 | K | 35.5 | Very low | 36.4 | Very low | 186 Ų | 186 | 144 Ų | 144 | 81% | 0.809 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -117.1 | 2.4 | -178.8 | -130.5 | 179.8 | -178.3 | -175.7 | 0 | 115.8 | I972 | I972-K975 PolarHBondContact O-N 3.5Š|
| 976 | S | 33.6 | Very low | 36 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -104.7 | 31.5 | -172.7 | -49.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 977 | L | 33.7 | Very low | 35.9 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -124.7 | 7.7 | -179.1 | -75.6 | 174.7 | 0 | 0 | 0 | 114.6 | | |
| 978 | I | 36.6 | Very low | 35.6 | Very low | 159 Ų | 159 | 145 Ų | 145 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -141.6 | 69 | 176 | -45.5 | 178.6 | 0 | 0 | 0 | 110.8 | | |
| 979 | S | 31.6 | Very low | 35.1 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -171.8 | 162.6 | 163.2 | -84.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 980 | L | 35.4 | Very low | 35.2 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | | | trans | 70.7 | 79.5 | -176.3 | -51.9 | 177 | 0 | 0 | 0 | 114.4 | | |
| 981 | D | 36.3 | Very low | 34.8 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | | -162.7 | 128 | 122.3 | -101.5 | -21.1 | 0 | 0 | 0 | 109.3 | | |
| 982 | N | 39.3 | Very low | 34.9 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | | | trans | 138.5 | 83.2 | 165.2 | -80.3 | -61.5 | 0 | 0 | 0 | 111.9 | | |
| 983 | D | 41 | Very low | 34.7 | Very low | 150 Ų | 150 | 148 Ų | 148 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | | | trans | -81.6 | 119.7 | 164.4 | -100.7 | -54.2 | 0 | 0 | 0 | 111.4 | T985 | D983-T985 PolarHBondContact O-N 2.95Š|
| 984 | N | 32 | Very low | 34.9 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | | | trans | 20.3 | 95.3 | 148.4 | -59.1 | -71 | 0 | 0 | 0 | 119.6 | | |
| 985 | T | 35.6 | Very low | 35 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -138.8 | 122.4 | 134.9 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | D983 | D983-T985 PolarHBondContact O-N 2.95Š|
| 986 | T | 32.7 | Very low | 35.3 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | | | trans | -60.3 | 139.1 | 170.1 | -40.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 987 | I | 36.8 | Very low | 35.4 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | -170.2 | 121.8 | 136.5 | -98.2 | 149.4 | 0 | 0 | 0 | 111.6 | | |
| 988 | N | 34.7 | Very low | 35.6 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | 26.1 | 114.3 | 153.2 | -53.1 | -16.1 | 0 | 0 | 0 | 121 | | |
| 989 | T | 29.6 | Very low | 35.5 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | | | trans | -65.4 | 129 | 153.5 | 47.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 990 | T | 36.8 | Very low | 35.7 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -138 | 115.6 | 156.8 | -38.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 991 | T | 30.8 | Very low | 35.7 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | | | trans | -85.4 | 123.6 | 177.3 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 992 | T | 36 | Very low | 35.9 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -134.6 | 132.6 | 159.7 | 35.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 993 | T | 32.9 | Very low | 35.7 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -89.4 | 138.2 | -178.1 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 994 | S | 38.5 | Very low | 35.4 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -146.3 | 146.6 | 141.1 | -170.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 995 | N | 35.6 | Very low | 35.5 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | | | trans | -72.4 | 155.7 | 171.1 | -46.4 | -70.7 | 0 | 0 | 0 | 109.5 | | |
| 996 | D | 41 | Very low | 35.3 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | | -150.5 | 171.7 | 112.7 | -134.7 | -33.9 | 0 | 0 | 0 | 113 | | |
| 997 | N | 36.6 | Very low | 35.5 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 65% | 0.647 | 77% | 0.774 | S | S | * | * | | | trans | -108 | 135.5 | -158.9 | -58.3 | -100.5 | 0 | 0 | 0 | 111.6 | | |
| 998 | N | 37.5 | Very low | 35.5 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | | | | -177.8 | 118.1 | 117.8 | -101.3 | -70.3 | 0 | 0 | 0 | 114.2 | | |
| 999 | R | 35.5 | Very low | 35.5 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | | | | 47.6 | 100.3 | 129.5 | -63.4 | -177.9 | 176.1 | 110.6 | -7.3 | 119.9 | | |
| 1000 | N | 35.3 | Very low | 35.6 | Very low | 137 Ų | 137 | 145 Ų | 145 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | | 51.7 | 98 | 115.7 | -53.8 | 16.6 | 0 | 0 | 0 | 118.5 | | |
| 1001 | N | 36.1 | Very low | 35.5 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | | -149.2 | 102.9 | 128.5 | -105.6 | -28.5 | 0 | 0 | 0 | 108.4 | N1003 | N1001-N1003 PolarHBondContact O-N 3.46Å; N1001-N1003 VanDerWaalsContact O-N 3.08Å |
| 1002 | D | 38.9 | Very low | 35.8 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | -72.7 | 102.6 | -173.5 | -69.9 | -57.4 | 0 | 0 | 0 | 111.6 | R1004 | D1002-R1004 PolarHBondContact O-N 3.01Š|
| 1003 | N | 35.2 | Very low | 35.8 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | -61.9 | 99.8 | 168.2 | -72.2 | -49.1 | 0 | 0 | 0 | 109.8 | N1001 Y1005 | N1001-N1003 PolarHBondContact O-N 3.46Å; N1001-N1003 VanDerWaalsContact O-N 3.08Å; N1003-Y1005 PolarHBondContact O-N 3.38Å |
| 1004 | R | 35.7 | Very low | 35.9 | Very low | 217 Ų | 217 | 149.4 Ų | 149.4 | 82% | 0.819 | 76% | 0.761 | S | S | * | * | | | trans | -72.2 | 60.3 | 168.7 | -70.2 | -164.4 | -177 | -168.8 | 3.2 | 112 | D1002 S1006 | D1002-R1004 PolarHBondContact O-N 3.01Å; R1004-S1006 PolarHBondContact O-N 3.4Å |
| 1005 | Y | 33.1 | Very low | 35.9 | Very low | 231 Ų | 231 | 147.7 Ų | 147.7 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | | | trans | -93 | 49 | 170.1 | -131.3 | -83.6 | 0 | 0 | 0 | 109.6 | N1003 | N1003-Y1005 PolarHBondContact O-N 3.38Š|
| 1006 | S | 32.9 | Very low | 35.9 | Very low | 75 Ų | 75 | 149.3 Ų | 149.3 | 52% | 0.524 | 77% | 0.769 | S | S | . | * | | | trans | -146.6 | 38.8 | -158.4 | 67.7 | 0 | 0 | 0 | 0 | 114.5 | R1004 | R1004-S1006 PolarHBondContact O-N 3.4Š|
| 1007 | D | 36.4 | Very low | 35.7 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -131 | 9.4 | 177.8 | -98.7 | -46 | 0 | 0 | 0 | 114.4 | | |
| 1008 | F | 35.6 | Very low | 35.8 | Very low | 202 Ų | 202 | 153.4 Ų | 153.4 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -108.4 | 5.6 | 177.5 | -108.1 | -87.9 | 0 | 0 | 0 | 114.7 | | |
| 1009 | T | 36.1 | Very low | 35.9 | Very low | 123 Ų | 123 | 158 Ų | 158 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -130.1 | 37.7 | -169.8 | 43.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1010 | S | 32 | Very low | 35.9 | Very low | 78 Ų | 78 | 155.6 Ų | 155.6 | 55% | 0.545 | 82% | 0.816 | S | S | . | * | S | Bend | trans | -122.7 | -4 | -178.1 | 58.3 | 0 | 0 | 0 | 0 | 116 | | |
| 1011 | F | 34 | Very low | 35.9 | Very low | 198 Ų | 198 | 156.6 Ų | 156.6 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -118.4 | 4.8 | -173.9 | -98.5 | -80.4 | 0 | 0 | 0 | 116.4 | | |
| 1012 | I | 37.9 | Very low | 35.9 | Very low | 160 Ų | 160 | 156.4 Ų | 156.4 | 82% | 0.821 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -107.1 | -8.7 | -179.5 | -68.2 | -179.5 | 0 | 0 | 0 | 112.6 | | |
| 1013 | T | 35.1 | Very low | 35.7 | Very low | 111 Ų | 111 | 157.1 Ų | 157.1 | 68% | 0.681 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -113.5 | 42.6 | -172.9 | 40.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1014 | N | 34.7 | Very low | 35.8 | Very low | 170 Ų | 170 | 157.6 Ų | 157.6 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -157.9 | 100.9 | 162.9 | -98.3 | -48.7 | 0 | 0 | 0 | 111 | | |
| 1015 | G | 38 | Very low | 35.8 | Very low | 76 Ų | 76 | 153.7 Ų | 153.7 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | | | trans | 163 | -30.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S1017 | G1015-S1017 VanDerWaalsContact C-N 3.27Å; G1015-S1017 PolarHBondContact O-N 3.47Å |
| 1016 | L | 35.6 | Very low | 36 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | trans | -79.6 | 68.8 | 178.4 | -73.5 | 168.3 | 0 | 0 | 0 | 111.8 | | |
| 1017 | S | 38.2 | Very low | 36.2 | Very low | 114 Ų | 114 | 153.8 Ų | 153.8 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | | | trans | -155.7 | 62.3 | 172 | -79.3 | 0 | 0 | 0 | 0 | 112.5 | G1015 | G1015-S1017 VanDerWaalsContact C-N 3.27Å; G1015-S1017 PolarHBondContact O-N 3.47Å |
| 1018 | R | 37.7 | Very low | 36.2 | Very low | 246 Ų | 246 | 155.8 Ų | 155.8 | 93% | 0.928 | 85% | 0.851 | S | S | * | * | | | trans | -163.7 | 106.3 | 150.9 | -107.6 | 163.4 | -166.8 | -108.3 | -0.2 | 108.4 | | |
| 1019 | T | 39.1 | Very low | 36.2 | Very low | 215 Ų | 215 | 151.5 Ų | 151.5 | 100% | 1.319 | 85% | 0.848 | S | S | * | * | | | trans | -65.8 | 0 | 161.4 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | | |