| 1 | M | 35.9 | Very low | 47.4 | Very low | 227 Ų | 227 | 172.5 Ų | 172.5 | 100% | 1.118 | 82% | 0.823 | S | S | * | * | | | | 0 | 100.7 | 0 | -64.2 | 157.4 | 178.8 | 0 | 0 | 106.4 | | |
| 2 | T | 44 | Very low | 47.9 | Very low | 119 Ų | 119 | 177.7 Ų | 177.7 | 73% | 0.73 | 83% | 0.829 | S | S | * | * | | | | 60.5 | 117 | 72 | 63.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 3 | N | 40.7 | Very low | 48.1 | Very low | 153 Ų | 153 | 173.2 Ų | 173.2 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | cis | -135.9 | 154.9 | 18.2 | -76.5 | -47.7 | 0 | 0 | 0 | 114.4 | | |
| 4 | E | 45.1 | Very low | 48.3 | Very low | 154 Ų | 154 | 171.3 Ų | 171.3 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | | | trans | -72 | 164.4 | 165.4 | -64 | 171.4 | 73.2 | 0 | 0 | 112.1 | | |
| 5 | T | 51.9 | Low | 48.7 | Very low | 142 Ų | 142 | 173 Ų | 173 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | | | trans | -146.2 | 85 | 150.1 | -24 | 0 | 0 | 0 | 0 | 111.4 | K7 | T5-K7 PolarHBondContact O-N 3.25Š|
| 6 | R | 48.2 | Very low | 48.4 | Very low | 219 Ų | 219 | 174.1 Ų | 174.1 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | | | trans | -70.5 | 105 | -173.8 | -173.8 | 175.9 | -174.9 | 155.8 | -3.9 | 112.1 | H8 | R6-H8 PolarHBondContact O-N 3.27Š|
| 7 | K | 56.5 | Low | 48 | Very low | 205 Ų | 205 | 167.9 Ų | 167.9 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | | | trans | -71.5 | 113.8 | 170.7 | -79.2 | -178.1 | 177.4 | 173.6 | 0 | 110.4 | T5 | T5-K7 PolarHBondContact O-N 3.25Š|
| 8 | H | 49.5 | Very low | 47.9 | Very low | 184 Ų | 184 | 164 Ų | 164 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 136.2 | -178.9 | -159.5 | -73.8 | 0 | 0 | 0 | 111.5 | R6 | R6-H8 PolarHBondContact O-N 3.27Š|
| 9 | R | 47.3 | Very low | 47.7 | Very low | 215 Ų | 215 | 163.4 Ų | 163.4 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 157.7 | 173.9 | -74.2 | -175.7 | 174.2 | -123.7 | 2.4 | 111.3 | | |
| 10 | S | 46.2 | Very low | 47.7 | Very low | 77 Ų | 77 | 162 Ų | 162 | 54% | 0.538 | 81% | 0.813 | S | S | . | * | P | Polyproline II helix | trans | -75.7 | 151.6 | 179.9 | 112.9 | 0 | 0 | 0 | 0 | 111.9 | W12 | S10-W12 PolarHBondContact O-N 2.94Š|
| 11 | K | 56 | Low | 47.6 | Very low | 202 Ų | 202 | 160.3 Ų | 160.3 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 28.2 | -166.4 | -155.5 | 179.9 | 176.8 | 178.9 | 0 | 114.8 | | |
| 12 | W | 54 | Low | 48 | Very low | 235 Ų | 235 | 157.6 Ų | 157.6 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | -14.4 | -173.7 | -61.1 | 108.7 | 0 | 0 | 0 | 114.8 | S10 | S10-W12 PolarHBondContact O-N 2.94Š|
| 13 | D | 50.5 | Low | 48 | Very low | 119 Ų | 119 | 159.4 Ų | 159.4 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | | | trans | -100.3 | 89.8 | 175.9 | -69.1 | -62.4 | 0 | 0 | 0 | 111.2 | | |
| 14 | T | 50.5 | Low | 48.2 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | 160.9 | 111.4 | 143.5 | 32.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 15 | K | 53.5 | Low | 48.6 | Very low | 197 Ų | 197 | 156.5 Ų | 156.5 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | | -164.8 | 101.5 | 125 | -169.8 | 154.5 | -172.8 | 173.4 | 0 | 110.6 | | |
| 16 | E | 44.4 | Very low | 48.5 | Very low | 190 Ų | 190 | 156.4 Ų | 156.4 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | trans | -140.6 | 149.1 | 167.8 | -177 | 170.4 | -116.1 | 0 | 0 | 106.4 | | |
| 17 | G | 41.2 | Very low | 48.2 | Very low | 69 Ų | 69 | 154.5 Ų | 154.5 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | 73.2 | 90.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 18 | S | 46.5 | Very low | 47.9 | Very low | 98 Ų | 98 | 149.5 Ų | 149.5 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | -155.6 | 86.3 | 148 | 64.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 19 | D | 44 | Very low | 47.9 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -60.2 | 154.6 | 162.6 | -53.3 | -80.3 | 0 | 0 | 0 | 110.4 | | |
| 20 | V | 48.2 | Very low | 47.8 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | 167.9 | 111.1 | 136.6 | 152.2 | 0 | 0 | 0 | 0 | 110 | | |
| 21 | V | 45.4 | Very low | 47.9 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | 63.3 | 135.5 | 140.2 | -179.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 22 | E | 44.1 | Very low | 47.1 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | -73.7 | 143.9 | 169.4 | -55.3 | 158.7 | 102.8 | 0 | 0 | 112.3 | | |
| 23 | I | 44.8 | Very low | 46.5 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | | | trans | -136.7 | 133 | 135.3 | -74 | 98.7 | 0 | 0 | 0 | 106.7 | | |
| 24 | S | 44.3 | Very low | 46.2 | Very low | 98 Ų | 98 | 134 Ų | 134 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | | | trans | -108.8 | 144.7 | 166.8 | -59.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 25 | D | 53.7 | Low | 45.9 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | trans | -173.4 | 134.6 | 151.8 | -80.3 | -37.4 | 0 | 0 | 0 | 104.3 | | |
| 26 | D | 49.3 | Very low | 45.3 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | | 62.2 | 131.2 | 56.7 | -83.2 | -92 | 0 | 0 | 0 | 113.6 | | |
| 27 | E | 43.4 | Very low | 45.6 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | | | cis | -144.9 | -174.9 | -9.6 | -151 | -171.4 | 12.4 | 0 | 0 | 109.5 | | |
| 28 | S | 49.1 | Very low | 45.5 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | -94.4 | -162.2 | 169.5 | -140.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 29 | P | 49.7 | Very low | 45.3 | Very low | 104 Ų | 104 | 137 Ų | 137 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | | | cis | -142.4 | -170 | -0.8 | 30.9 | -4.6 | 0 | 0 | 0 | 116.7 | | |
| 30 | D | 45.2 | Very low | 45.2 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 58% | 0.578 | 78% | 0.775 | S | S | * | * | | | | 103.3 | 153.3 | 125.5 | -135.5 | -11.8 | 0 | 0 | 0 | 122.3 | | |
| 31 | K | 48.3 | Very low | 45 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 70% | 0.704 | 78% | 0.775 | S | S | * | * | | | trans | 58.5 | 141.5 | 158.7 | -76.4 | 137.7 | -172.4 | 149.8 | 0 | 119.8 | | |
| 32 | T | 40.2 | Very low | 44.9 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | cis | 164.1 | 141.1 | -21.7 | 31.7 | 0 | 0 | 0 | 0 | 106.3 | | |
| 33 | G | 41.1 | Very low | 44.9 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | 147.6 | 99.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 34 | V | 43.1 | Very low | 45 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | | | | 78.7 | 90.9 | 55.4 | -174.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 35 | H | 45.3 | Very low | 45.3 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | | | trans | -172.1 | 129.6 | 144.7 | -119.6 | -108.1 | 0 | 0 | 0 | 107.3 | | |
| 36 | R | 41.2 | Very low | 44.7 | Very low | 213 Ų | 213 | 137.7 Ų | 137.7 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | cis | 91.3 | 126.6 | 34.3 | -81.4 | -163.8 | 169.4 | -163.7 | -1.2 | 115.4 | | |
| 37 | K | 48.8 | Very low | 44.4 | Very low | 215 Ų | 215 | 138 Ų | 138 | 94% | 0.935 | 77% | 0.773 | S | S | * | * | | | trans | 72.1 | 144.2 | -177.1 | -57 | -179.9 | 176.8 | -178.3 | 0 | 114.6 | | |
| 38 | G | 40 | Very low | 44.2 | Very low | 82 Ų | 82 | 134 Ų | 134 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | cis | 131.7 | 137.7 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 39 | G | 42.1 | Very low | 44.2 | Very low | 77 Ų | 77 | 137.3 Ų | 137.3 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | 153.2 | 120.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 40 | D | 41.8 | Very low | 43.9 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | | | trans | -97.2 | -177.1 | -179.8 | -62.9 | -92.9 | 0 | 0 | 0 | 113 | | |
| 41 | L | 44.8 | Very low | 43.9 | Very low | 153 Ų | 153 | 143 Ų | 143 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | | | trans | 98.1 | 132.1 | 153.2 | -60.3 | 170.4 | 0 | 0 | 0 | 120.6 | | |
| 42 | H | 43.3 | Very low | 43.5 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | | | trans | 71.3 | 145.6 | 156.4 | -70.7 | -149.3 | 0 | 0 | 0 | 116.9 | | |
| 43 | T | 44 | Very low | 43.4 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | | | cis | -145.6 | 159.3 | 8.3 | -27.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 44 | K | 46.7 | Very low | 43.4 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | | | trans | -78.3 | 175.9 | 158.2 | -60.9 | -174.5 | 161.1 | -154.9 | 0 | 111.1 | D46 | K44-D46 WeakPolarHBondContact CD-OD2 3.33Å; K44-D46 IonicContact NZ-OD1 3.89Å; K44-D46 PolarHBondContact NZ-OD1 2.99Å; K44-D46 IonicContact NZ-OD2 3.18Å; K44-D46 PolarHBondContact NZ-OD2 2.73Å |
| 45 | P | 51.3 | Low | 43.2 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | | -137 | 161.7 | 81 | 37.3 | -23.6 | 0 | 0 | 0 | 115.1 | | |
| 46 | D | 39.6 | Very low | 42.9 | Very low | 117 Ų | 117 | 143 Ų | 143 | 63% | 0.626 | 80% | 0.799 | S | S | * | * | | | trans | -86.5 | 152 | 173.9 | -49.5 | -90.9 | 0 | 0 | 0 | 111.6 | K44 | K44-D46 WeakPolarHBondContact CD-OD2 3.33Å; K44-D46 IonicContact NZ-OD1 3.89Å; K44-D46 PolarHBondContact NZ-OD1 2.99Å; K44-D46 IonicContact NZ-OD2 3.18Å; K44-D46 PolarHBondContact NZ-OD2 2.73Å |
| 47 | T | 42.8 | Very low | 42.8 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -150.9 | 130.8 | 151.9 | -39.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 48 | S | 40.4 | Very low | 42.6 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | | | trans | -132.4 | 147.7 | 175 | 170.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 49 | M | 48.4 | Very low | 42.5 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | | | trans | -161.8 | 160 | 156.9 | -102.6 | -76.5 | 100.7 | 0 | 0 | 110 | | |
| 50 | H | 44 | Very low | 42.5 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | | | trans | -103.8 | 168.2 | -170.2 | -63 | -101.5 | 0 | 0 | 0 | 113.2 | | |
| 51 | H | 44.7 | Very low | 42.5 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | | | trans | 168.3 | 107.7 | 137.6 | -83 | -59.5 | 0 | 0 | 0 | 106.8 | | |
| 52 | R | 39 | Very low | 42.3 | Very low | 243 Ų | 243 | 143.1 Ų | 143.1 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | | | | 73.4 | 91.1 | 57.7 | -162.5 | -169 | -135 | -106.2 | 5.3 | 115.1 | | |
| 53 | G | 39.2 | Very low | 42 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | | | trans | 113.8 | 103.5 | 132.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 54 | A | 40.9 | Very low | 41.9 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 93% | 0.934 | 77% | 0.769 | S | S | * | * | | | trans | 43.4 | 126.1 | 139.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 55 | G | 38.9 | Very low | 41.5 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | | 134.8 | 132.8 | 127.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 56 | H | 38.8 | Very low | 41.2 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | | | trans | 76.4 | 99.8 | 149.4 | -133.4 | -80.1 | 0 | 0 | 0 | 122.1 | | |
| 57 | E | 39.4 | Very low | 41.9 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 67% | 0.673 | 78% | 0.779 | S | S | * | * | | | trans | 36.6 | 129.8 | 140.2 | -50.4 | -162 | 144.1 | 0 | 0 | 124.6 | | |
| 58 | K | 43.5 | Very low | 42.1 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | | | trans | 88.2 | 134 | 132.4 | -90 | 179.8 | 169.3 | 177.4 | 0 | 122.9 | | |
| 59 | E | 39.1 | Very low | 42.9 | Very low | 149 Ų | 149 | 143 Ų | 143 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | | | trans | 33.1 | 113.2 | 143.3 | -64.8 | 171.4 | 89.2 | 0 | 0 | 119.1 | | |
| 60 | H | 41.1 | Very low | 42.9 | Very low | 203 Ų | 203 | 141.6 Ų | 141.6 | 94% | 0.94 | 76% | 0.763 | S | S | * | * | | | | -162.3 | -176.7 | 114.3 | -99.5 | -64.8 | 0 | 0 | 0 | 109.9 | | |
| 61 | A | 42.3 | Very low | 42.9 | Very low | 75 Ų | 75 | 141.3 Ų | 141.3 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | | | trans | -132 | 178.5 | -161.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 62 | D | 40 | Very low | 43 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | 75.8 | 119.9 | 156.1 | -55.7 | -41 | 0 | 0 | 0 | 121.6 | | |
| 63 | G | 38.9 | Very low | 43.2 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | trans | 86.5 | 162.2 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 64 | S | 41.3 | Very low | 43.3 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | cis | -174.8 | 139.6 | -21.5 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 65 | N | 38.6 | Very low | 43.2 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | trans | 61.8 | 178 | 159.6 | -51.2 | -22.9 | 0 | 0 | 0 | 115.3 | | |
| 66 | E | 44.8 | Very low | 43.4 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | cis | -121.7 | -173.9 | 7.4 | -68.3 | -178.2 | 133.3 | 0 | 0 | 109.9 | | |
| 67 | D | 53.9 | Low | 43.3 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | | | cis | -167.5 | 157.3 | 31.2 | -158.5 | -6.8 | 0 | 0 | 0 | 115.6 | | |
| 68 | M | 47.5 | Very low | 43.2 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | | | trans | 67.7 | 136.4 | 149.4 | -109.9 | -179.3 | -78.2 | 0 | 0 | 126 | | |
| 69 | K | 55.6 | Low | 42.8 | Very low | 169 Ų | 169 | 143 Ų | 143 | 74% | 0.735 | 75% | 0.751 | S | S | * | * | | | trans | 80.5 | 140 | 155.4 | -69 | -169 | 175.2 | -167.4 | 0 | 120.5 | | |
| 70 | E | 48.8 | Very low | 42.8 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | | | cis | -159.1 | 114.3 | -17 | -160.2 | 165 | 135.4 | 0 | 0 | 112.7 | | |
| 71 | M | 45.7 | Very low | 42.6 | Very low | 141 Ų | 141 | 141 Ų | 141 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | | | trans | 51.1 | 110.3 | 134.3 | -146.4 | 138.8 | 59.2 | 0 | 0 | 122.5 | | |
| 72 | Q | 45 | Very low | 42.4 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | | | | 173.3 | 136.7 | 103.7 | -85.5 | -151.6 | 16.7 | 0 | 0 | 117.6 | | |
| 73 | H | 43.2 | Very low | 42 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | | | trans | -24.9 | 172 | 171.3 | -53 | -72.3 | 0 | 0 | 0 | 126.6 | | |
| 74 | K | 41.1 | Very low | 42 | Very low | 199 Ų | 199 | 150 Ų | 150 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | | | trans | 87.5 | 135.8 | 149.4 | -117.3 | 66.5 | 174.7 | -169.5 | 0 | 116.2 | | |
| 75 | A | 40.6 | Very low | 41.9 | Very low | 86 Ų | 86 | 152.2 Ų | 152.2 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | cis | -165.1 | 170.5 | -19.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 76 | P | 42.3 | Very low | 42.1 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | | | trans | -118.9 | 170.5 | -154.3 | 42.7 | -34.5 | 0 | 0 | 0 | 118.1 | | |
| 77 | S | 36.5 | Very low | 42.1 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | 90.3 | 159.4 | 142.2 | -144.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 78 | E | 37.8 | Very low | 41.7 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 71% | 0.71 | 75% | 0.75 | S | S | * | * | | | trans | 76.2 | 117.9 | 161.8 | -63.9 | -111.7 | 114.2 | 0 | 0 | 120.6 | | |
| 79 | R | 34.9 | Very low | 41.4 | Very low | 213 Ų | 213 | 150 Ų | 150 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | | 73.2 | 103.7 | 123.6 | -167.4 | -177.2 | -165.3 | 157.2 | -1.2 | 120.1 | | |
| 80 | S | 39.2 | Very low | 40.9 | Very low | 121 Ų | 121 | 148 Ų | 148 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | | | | -170.1 | 156.9 | 115.6 | -82.9 | 0 | 0 | 0 | 0 | 113 | | |
| 81 | Q | 37.1 | Very low | 40.3 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | trans | -97.4 | 169 | 180 | -101.2 | -168.4 | 4 | 0 | 0 | 112.6 | | |
| 82 | P | 38.5 | Very low | 39.9 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -87.9 | -164.3 | -166.4 | 37.8 | -39 | 0 | 0 | 0 | 114.3 | | |
| 83 | L | 31.4 | Very low | 39.4 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | | | trans | 88.2 | 95.3 | -176.7 | -55.6 | 176.7 | 0 | 0 | 0 | 116 | | |
| 84 | R | 38 | Very low | 39 | Very low | 228 Ų | 228 | 152 Ų | 152 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | -159.7 | 164.7 | 131.4 | -59.3 | -157.3 | -174 | -152.4 | -3.6 | 106.4 | | |
| 85 | M | 38.3 | Very low | 38.7 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | | | cis | -142.2 | 158.2 | -5.3 | -131.5 | 116.1 | 176.3 | 0 | 0 | 104.7 | | |
| 86 | V | 44.1 | Very low | 38.8 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | | | | 52.9 | 118.1 | 73.3 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 87 | D | 43.8 | Very low | 38.8 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | | | cis | -144.1 | 152.6 | 42.6 | -88.8 | -57.3 | 0 | 0 | 0 | 115.7 | | |
| 88 | E | 45.2 | Very low | 38.9 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 62% | 0.617 | 75% | 0.748 | S | S | * | * | | | | 52.7 | 157.7 | 129.5 | -58 | -177.1 | 111.6 | 0 | 0 | 123.4 | | |
| 89 | R | 42.3 | Very low | 38.9 | Very low | 175 Ų | 175 | 145.9 Ų | 145.9 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | | | cis | -153.7 | 165 | 1.9 | -133.8 | 176.4 | -92.7 | 143.6 | 0.3 | 111.9 | | |
| 90 | D | 44.5 | Very low | 39 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | | | trans | 48.1 | 119.9 | 156.6 | -50.1 | -37.9 | 0 | 0 | 0 | 120.1 | | |
| 91 | N | 36 | Very low | 38.9 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | | | cis | 70.7 | 110 | 34.8 | -63.5 | -34.5 | 0 | 0 | 0 | 117.1 | | |
| 92 | N | 38.3 | Very low | 38.9 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | | | trans | 165.7 | 105.1 | 160.8 | -90.4 | -29.3 | 0 | 0 | 0 | 104 | | |
| 93 | E | 33.9 | Very low | 38.7 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | cis | 57.2 | 97.6 | 29.4 | -166.3 | 161.7 | 169.8 | 0 | 0 | 115.3 | | |
| 94 | W | 34.3 | Very low | 39 | Very low | 217 Ų | 217 | 141 Ų | 141 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | -139.8 | 109.3 | 147 | -179.2 | -96 | 0 | 0 | 0 | 109.7 | K96 | W94-K96 VanDerWaalsContact CZ2-NZ 3.27Š|
| 95 | S | 36.1 | Very low | 38.7 | Very low | 76 Ų | 76 | 139.7 Ų | 139.7 | 53% | 0.531 | 74% | 0.742 | S | S | . | * | | | trans | -83.7 | 145.5 | -178.9 | -69.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 96 | K | 42.3 | Very low | 38.3 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | 161.5 | 142.4 | 152.8 | -88 | 143.6 | -160.3 | 165.9 | 0 | 109.7 | W94 | W94-K96 VanDerWaalsContact CZ2-NZ 3.27Š|
| 97 | A | 41.5 | Very low | 38 | Very low | 76 Ų | 76 | 142.6 Ų | 142.6 | 63% | 0.628 | 75% | 0.754 | S | S | * | * | | | cis | -162.1 | 160.8 | -14.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 98 | T | 39.9 | Very low | 37.9 | Very low | 146 Ų | 146 | 144 Ų | 144 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | | | trans | 49.8 | 128.4 | 157.1 | 50.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 99 | G | 37.3 | Very low | 37.7 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | cis | 167.9 | 167.2 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 100 | N | 37.7 | Very low | 37.7 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | | | trans | 58.2 | 122.1 | 175.2 | -63.5 | -8.7 | 0 | 0 | 0 | 116.8 | | |
| 101 | Q | 36.3 | Very low | 37.7 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | | | | 61.9 | 119.4 | 55.1 | -59.1 | -159.4 | 44.2 | 0 | 0 | 113.9 | | |
| 102 | G | 36.5 | Very low | 38.1 | Very low | 82 Ų | 82 | 148.1 Ų | 148.1 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | | | trans | 169.1 | 93.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 103 | T | 36 | Very low | 38.3 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | | | trans | -96.5 | 151.6 | 170.7 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 104 | N | 35.9 | Very low | 38.7 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | 82.5 | 137.3 | 155.5 | -142.7 | 10 | 0 | 0 | 0 | 118.6 | | |
| 105 | R | 32.4 | Very low | 39.1 | Very low | 201 Ų | 201 | 136.4 Ų | 136.4 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | | | trans | 74 | 120.8 | 154.6 | -71.2 | 171.5 | -175.6 | 174.8 | 0.5 | 122.9 | | |
| 106 | Y | 30.3 | Very low | 38.7 | Very low | 223 Ų | 223 | 145.7 Ų | 145.7 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | | | trans | 74.2 | 148.5 | 137.3 | -83.3 | -108.3 | 0 | 0 | 0 | 121.8 | | |
| 107 | A | 37.3 | Very low | 38.3 | Very low | 91 Ų | 91 | 140.6 Ų | 140.6 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | 62.3 | 131.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 108 | D | 41.8 | Very low | 38 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | cis | 72.5 | 152.7 | 28.9 | -148.2 | -11.9 | 0 | 0 | 0 | 113.9 | | |
| 109 | D | 41.1 | Very low | 37.8 | Very low | 70 Ų | 70 | 141.1 Ų | 141.1 | 37% | 0.374 | 77% | 0.772 | S | S | . | * | | | trans | 66.6 | 152.1 | -172.2 | -101.3 | -28.7 | 0 | 0 | 0 | 116 | R111 | D109-R111 IonicContact OD1-CZ 3.39Å; D109-R111 IonicContact OD1-NE 2.65Å; D109-R111 PolarHBondContact OD1-NE 2.69Å; D109-R111 IonicContact OD1-NH2 2.62Å; D109-R111 PolarHBondContact OD1-NH2 3.18Å; D109-R111 IonicContact OD2-CZ 2.67Å; D109-R111 IonicContact OD2-NE 2.78Å; D109-R111 IonicContact OD2-NH2 2.66Å; D109-R111 PolarHBondContact OD2-NH2 2.73Å |
| 110 | R | 43.4 | Very low | 38 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | cis | -125.5 | 140.5 | 1.6 | -100.7 | 105.9 | -146.8 | 168.6 | 18.1 | 109.7 | | |
| 111 | R | 44 | Very low | 37.9 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 70% | 0.698 | 77% | 0.766 | S | S | * | * | | | | 59.6 | 149.3 | 86.3 | -54.4 | -177.9 | -144.3 | -164.1 | 5.2 | 113.7 | D109 | D109-R111 IonicContact OD1-CZ 3.39Å; D109-R111 IonicContact OD1-NE 2.65Å; D109-R111 PolarHBondContact OD1-NE 2.69Å; D109-R111 IonicContact OD1-NH2 2.62Å; D109-R111 PolarHBondContact OD1-NH2 3.18Å; D109-R111 IonicContact OD2-CZ 2.67Å; D109-R111 IonicContact OD2-NE 2.78Å; D109-R111 IonicContact OD2-NH2 2.66Å; D109-R111 PolarHBondContact OD2-NH2 2.73Å |
| 112 | R | 44.3 | Very low | 37.9 | Very low | 219 Ų | 219 | 141.4 Ų | 141.4 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | | | cis | -134.9 | 169.2 | 25.5 | -60.5 | 163.9 | -167.1 | -95.7 | -1.3 | 109 | | |
| 113 | G | 41.7 | Very low | 38 | Very low | 64 Ų | 64 | 143 Ų | 143 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | | | cis | 146.7 | 163.9 | 20.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 114 | D | 42.9 | Very low | 38.1 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | | | cis | -148.8 | 172.7 | 4.6 | -64.2 | -59.6 | 0 | 0 | 0 | 106.7 | | |
| 115 | G | 41.6 | Very low | 38.4 | Very low | 72 Ų | 72 | 144.6 Ų | 144.6 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | | | cis | 147.4 | 123.1 | -0.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 116 | W | 28.5 | Very low | 38.8 | Very low | 272 Ų | 272 | 139.6 Ų | 139.6 | 100% | 1.03 | 74% | 0.742 | S | S | * | * | | | trans | -90.1 | 124.9 | 170.3 | -78.3 | 86.4 | 0 | 0 | 0 | 109.5 | | |
| 117 | G | 33.5 | Very low | 39.3 | Very low | 66 Ų | 66 | 132.6 Ų | 132.6 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | | | trans | 143.7 | 102.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 118 | T | 36.4 | Very low | 39.6 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 87% | 0.865 | 74% | 0.736 | S | S | * | * | | | trans | 72.1 | 89 | 134.9 | -42.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 119 | A | 34.7 | Very low | 39.7 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | | | trans | 68.6 | 163.4 | 136.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 120 | P | 41.2 | Very low | 39.9 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | | | cis | -123.9 | -172.5 | -16.3 | 40 | -25.8 | 0 | 0 | 0 | 113.6 | | |
| 121 | S | 36.8 | Very low | 39.6 | Very low | 84 Ų | 84 | 134.5 Ų | 134.5 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | | | trans | 81.1 | 101.3 | 152.5 | -173 | 0 | 0 | 0 | 0 | 120.5 | | |
| 122 | R | 34.9 | Very low | 39.1 | Very low | 215 Ų | 215 | 133 Ų | 133 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | trans | 75.2 | 138.1 | 132.8 | -65.5 | -176.1 | 173.8 | 129 | -3.1 | 119.2 | | |
| 123 | D | 39.9 | Very low | 39.2 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | | | cis | -152.8 | 145.4 | -2.6 | -104.6 | -34.8 | 0 | 0 | 0 | 112.6 | | |
| 124 | Y | 36.9 | Very low | 39.1 | Very low | 212 Ų | 212 | 131.7 Ų | 131.7 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | trans | 59.7 | 149 | 156.7 | -83.9 | -121 | 0 | 0 | 0 | 119 | | |
| 125 | S | 41.8 | Very low | 38.8 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | cis | -175.2 | 158 | -16.9 | -110.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 126 | S | 41.9 | Very low | 38.6 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | | | cis | -163.8 | 159.8 | -7.2 | -166.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 127 | A | 40.6 | Very low | 39.2 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 63% | 0.628 | 73% | 0.732 | S | S | * | * | | | trans | 66.7 | 154.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 128 | R | 42.8 | Very low | 39.7 | Very low | 233 Ų | 233 | 132.3 Ų | 132.3 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | | | cis | -170.7 | 161.5 | -17.3 | -100.9 | 169.3 | -130.2 | -156.3 | 3 | 104.6 | | |
| 129 | A | 45.7 | Very low | 39.6 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | | | cis | -172.7 | 161.5 | -24.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 130 | P | 45.2 | Very low | 39.7 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | | | trans | -98.7 | 175.5 | -172.8 | 39.4 | -36.1 | 0 | 0 | 0 | 113.7 | | |
| 131 | S | 36 | Very low | 39.3 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | | | | 171.2 | 118.7 | 127.2 | -74.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 132 | D | 34.8 | Very low | 39.2 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | | | | 63.2 | -170.9 | 124.7 | -130.9 | 10.6 | 0 | 0 | 0 | 119.6 | | |
| 133 | P | 45.9 | Very low | 39.2 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | | | | -128.9 | -153.3 | -115.1 | 44.5 | -25.9 | 0 | 0 | 0 | 115.1 | | |
| 134 | D | 39 | Very low | 38.9 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | | | trans | 70 | 152.9 | 173.9 | -94.6 | -29.7 | 0 | 0 | 0 | 116.1 | | |
| 135 | A | 36.3 | Very low | 39 | Very low | 62 Ų | 62 | 132.6 Ų | 132.6 | 51% | 0.512 | 73% | 0.728 | S | S | . | * | | | cis | -157.8 | -164.2 | -3.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 136 | W | 38.4 | Very low | 38.4 | Very low | 219 Ų | 219 | 140.2 Ų | 140.2 | 83% | 0.83 | 74% | 0.743 | S | S | * | * | | | trans | 75.6 | 93 | 167 | -54.6 | 77.2 | 0 | 0 | 0 | 114.8 | | |
| 137 | R | 41.3 | Very low | 38 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | | | | 66.3 | 136.9 | 80 | -66.7 | 172.2 | 169.9 | -88 | 6.1 | 112.2 | | |
| 138 | Q | 42.2 | Very low | 37.8 | Very low | 103 Ų | 103 | 142 Ų | 142 | 48% | 0.481 | 76% | 0.757 | S | S | . | * | | | cis | -151.9 | 144.4 | 39.2 | -69 | -77.2 | 9.8 | 0 | 0 | 112.9 | | |
| 139 | R | 36 | Very low | 37.3 | Very low | 204 Ų | 204 | 141.7 Ų | 141.7 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | 61.2 | 144 | 142.2 | -62 | 169.5 | -138.3 | -90 | 5.1 | 119.8 | | |
| 140 | S | 36.3 | Very low | 37 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | | | cis | -171.1 | 144.4 | -14.2 | 49.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 141 | R | 32.8 | Very low | 36.4 | Very low | 233 Ų | 233 | 146.5 Ų | 146.5 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | | | trans | 69 | 101.5 | 147.9 | -67 | 165.8 | -167.1 | -82.2 | 3.5 | 119.9 | | |
| 142 | S | 35.4 | Very low | 36.3 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | | -53.8 | 153.6 | 125.2 | -24.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 143 | P | 34.5 | Very low | 36.4 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | | | | -144.3 | -175.7 | 58.9 | 39.3 | -19.9 | 0 | 0 | 0 | 115.1 | | |
| 144 | S | 32.7 | Very low | 36 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -61.8 | 141.2 | 163.3 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 145 | P | 38.8 | Very low | 35.7 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | | -146.6 | 171 | 97.1 | 39.7 | -25.1 | 0 | 0 | 0 | 115.9 | | |
| 146 | R | 30.8 | Very low | 35.6 | Very low | 250 Ų | 250 | 157.1 Ų | 157.1 | 94% | 0.943 | 75% | 0.749 | S | S | * | * | | | trans | 1.5 | 129.8 | 150.2 | -56 | 168.5 | 176.1 | -122.9 | 0.7 | 117.7 | | |
| 147 | G | 32.6 | Very low | 35.2 | Very low | 73 Ų | 73 | 151 Ų | 151 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | | | trans | 170.3 | 97.9 | 156 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 148 | V | 36.5 | Very low | 34.7 | Very low | 138 Ų | 138 | 151.1 Ų | 151.1 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | | | trans | 36.3 | 124.4 | 140.6 | -166.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 149 | W | 32.9 | Very low | 34.2 | Very low | 225 Ų | 225 | 151.6 Ų | 151.6 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | | | trans | -36.7 | 152.6 | 166.7 | -48.6 | -49.6 | 0 | 0 | 0 | 119.1 | | |
| 150 | N | 38.4 | Very low | 34 | Very low | 126 Ų | 126 | 154 Ų | 154 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | | | | 178 | 153.8 | 113.3 | -83.4 | -47.3 | 0 | 0 | 0 | 108.2 | | |
| 151 | K | 33.6 | Very low | 33.8 | Very low | 179 Ų | 179 | 154 Ų | 154 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | | | cis | -166 | 157 | -14 | -103.3 | 159.9 | 178.4 | 157.5 | 0 | 105 | | |
| 152 | S | 33.6 | Very low | 33.7 | Very low | 75 Ų | 75 | 152.6 Ų | 152.6 | 52% | 0.524 | 76% | 0.759 | S | S | . | * | | | cis | -172.5 | 172.3 | -14.6 | 60.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 153 | R | 36.6 | Very low | 33.5 | Very low | 232 Ų | 232 | 150.3 Ų | 150.3 | 88% | 0.875 | 74% | 0.742 | S | S | * | * | | | trans | 74.4 | 132.3 | 161.9 | -60.3 | 159.1 | -156.2 | -118.9 | 0.7 | 114.9 | | |
| 154 | R | 37.8 | Very low | 33.3 | Very low | 227 Ų | 227 | 155.1 Ų | 155.1 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | | | cis | -135.8 | 128.7 | 4.5 | -92.6 | 162.6 | -179.4 | 158.8 | -1.1 | 112 | | |
| 155 | N | 33.1 | Very low | 33.1 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | | | | 20.5 | 139.7 | 120.7 | -67.8 | -20 | 0 | 0 | 0 | 119 | | |
| 156 | R | 32.9 | Very low | 32.9 | Very low | 152 Ų | 152 | 159.3 Ų | 159.3 | 57% | 0.574 | 74% | 0.741 | S | S | * | * | | | cis | -161.6 | 127.1 | 8.4 | -100.4 | 154.1 | -175.8 | 167.4 | -2.9 | 107.8 | V826 | R156-V826 HydrophobicContact CB-CG2 3.4Å; R156-V826 VanDerWaalsContact CB-CG2 3.4Å; R156-V826 HydrophobicContact CG-CG2 4.25Å |
| 157 | S | 30.6 | Very low | 32.8 | Very low | 91 Ų | 91 | 152 Ų | 152 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | | 82 | 135 | 72 | -54.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 158 | R | 31.4 | Very low | 33 | Very low | 199 Ų | 199 | 159.7 Ų | 159.7 | 75% | 0.751 | 73% | 0.734 | S | S | * | * | | | trans | 84.7 | 100 | 169.5 | -57.6 | 179.3 | 177.8 | 120.1 | 2.2 | 115 | | |
| 159 | S | 30.2 | Very low | 32.8 | Very low | 112 Ų | 112 | 159.9 Ų | 159.9 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | | | cis | 80.8 | 135 | 41.7 | -45.8 | 0 | 0 | 0 | 0 | 114.9 | S161 | S159-S161 PolarHBondContact O-N 3.43Š|
| 160 | R | 32.5 | Very low | 32.8 | Very low | 255 Ų | 255 | 160.5 Ų | 160.5 | 96% | 0.962 | 73% | 0.732 | S | S | * | * | | | trans | -57.5 | 116.9 | 175.4 | -66.7 | 172.1 | 167 | 112.1 | -5.7 | 111.1 | | |
| 161 | S | 31.6 | Very low | 32.5 | Very low | 93 Ų | 93 | 159.3 Ų | 159.3 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | | | trans | -145.7 | 157.9 | 168.7 | -89.8 | 0 | 0 | 0 | 0 | 112.8 | S159 T830 | S159-S161 PolarHBondContact O-N 3.43Å; S161-T830 WeakPolarHBondContact O-CG2 3.27Å |
| 162 | R | 30.8 | Very low | 32.5 | Very low | 203 Ų | 203 | 163.1 Ų | 163.1 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | | | trans | -117.8 | 170.6 | 174.1 | -74.5 | 177.1 | 167.8 | 132.2 | -12.2 | 109 | V831 A832 | R162-V831 WeakPolarHBondContact CA-O 3.3Å; R162-V831 WeakPolarHBondContact CB-O 3.46Å; R162-V831 WeakPolarHBondContact CG-O 3.47Å; R162-A832 HydrophobicContact CB-CB 4.14Å |
| 163 | S | 30.6 | Very low | 32.5 | Very low | 66 Ų | 66 | 164.4 Ų | 164.4 | 46% | 0.462 | 75% | 0.752 | S | S | . | * | | | trans | 74.3 | 137.5 | -179.9 | -63.5 | 0 | 0 | 0 | 0 | 116.5 | T830 V831 A832 | S163-T830 CarbonylContact C-O 3.51Å; S163-T830 WeakPolarHBondContact O-CB 3.33Å; S163-T830 PolarHBondContact O-OG1 3.08Å; S163-V831 PolarHBondContact N-O 2.71Å; S163-V831 VanDerWaalsContact N-O 3.16Å; S163-A832 WeakPolarHBondContact OG-CB 3.42Å |
| 164 | R | 31.7 | Very low | 32.5 | Very low | 217 Ų | 217 | 165.6 Ų | 165.6 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | | | cis | -155.6 | 99.6 | -10.6 | -172 | -178.9 | -170.9 | -177.9 | 2.4 | 113.5 | T830 | R164-T830 CarbonylContact C-O 3.55Å; R164-T830 WeakPolarHBondContact CA-O 3.21Å; R164-T830 PolarHBondContact N-O 3.44Å |
| 165 | S | 28.5 | Very low | 32.2 | Very low | 74 Ų | 74 | 159.5 Ų | 159.5 | 52% | 0.517 | 75% | 0.749 | S | S | . | * | | | trans | 68.6 | 140.5 | 150.1 | -50.6 | 0 | 0 | 0 | 0 | 122.5 | T830 | S165-T830 PolarHBondContact N-O 2.95Å; S165-T830 VanDerWaalsContact N-O 3.14Å |
| 166 | R | 33.9 | Very low | 32.3 | Very low | 241 Ų | 241 | 165.2 Ų | 165.2 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | | | trans | 176.7 | 118.9 | 144.7 | -93.8 | 144.1 | -176.6 | 151.8 | -1.7 | 109 | | |
| 167 | S | 29.9 | Very low | 32.2 | Very low | 95 Ų | 95 | 162.5 Ų | 162.5 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | cis | 96.1 | 97.1 | 32.1 | 76.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 168 | R | 36.7 | Very low | 32.5 | Very low | 236 Ų | 236 | 166.7 Ų | 166.7 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | trans | 176.8 | 99.5 | 154.4 | -95.2 | 151.7 | -170.8 | -164.9 | 1.8 | 106.5 | | |
| 169 | N | 31 | Very low | 32.7 | Very low | 141 Ų | 141 | 160.1 Ų | 160.1 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | | 64.5 | 129.6 | 84.3 | -60.1 | 5.9 | 0 | 0 | 0 | 111.5 | | |
| 170 | R | 34.3 | Very low | 32.9 | Very low | 239 Ų | 239 | 167 Ų | 167 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | cis | -135.2 | 132.6 | 20.9 | -65.4 | 170.6 | 167.6 | 110.4 | -8.3 | 109.5 | | |
| 171 | S | 31.1 | Very low | 32.9 | Very low | 100 Ų | 100 | 158.5 Ų | 158.5 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | | 76.5 | 97.1 | 63.7 | -55 | 0 | 0 | 0 | 0 | 115.2 | | |
| 172 | R | 34.7 | Very low | 33 | Very low | 259 Ų | 259 | 166.3 Ų | 166.3 | 98% | 0.977 | 79% | 0.79 | S | S | * | * | | | trans | -153 | 97.3 | 146.2 | -116.2 | 172.7 | -174.2 | 138.9 | 2.4 | 110.1 | | |
| 173 | S | 33.2 | Very low | 33.2 | Very low | 103 Ų | 103 | 159.8 Ų | 159.8 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | trans | -90.2 | 154.4 | -175.4 | -43.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 174 | R | 34.9 | Very low | 33.2 | Very low | 257 Ų | 257 | 168.2 Ų | 168.2 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | | | trans | -152.9 | 103.7 | 139.9 | -112.4 | 161.5 | -169.9 | 146.2 | 2.5 | 110.4 | | |
| 175 | S | 31.8 | Very low | 33.2 | Very low | 99 Ų | 99 | 163.2 Ų | 163.2 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | | | trans | -80.8 | 153.9 | 179.4 | -42.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 176 | R | 35 | Very low | 33.6 | Very low | 238 Ų | 238 | 171 Ų | 171 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | | | | -175.6 | 101.2 | 126.4 | -91.4 | 143.3 | -172.4 | 175.4 | 0.5 | 106.4 | | |
| 177 | S | 30.8 | Very low | 33.7 | Very low | 95 Ų | 95 | 164.9 Ų | 164.9 | 66% | 0.664 | 82% | 0.818 | S | S | * | * | | | | 76.7 | 139.4 | 70.9 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 178 | I | 36.8 | Very low | 34.3 | Very low | 178 Ų | 178 | 165 Ų | 165 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | | | trans | 76.3 | 123.4 | -167 | -47.8 | 166 | 0 | 0 | 0 | 111.9 | | |
| 179 | G | 35.8 | Very low | 34.2 | Very low | 62 Ų | 62 | 163.8 Ų | 163.8 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | | | cis | 174.6 | 158 | -11.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 180 | R | 36.2 | Very low | 34.6 | Very low | 255 Ų | 255 | 165.2 Ų | 165.2 | 96% | 0.962 | 82% | 0.82 | S | S | * | * | | | trans | 59.2 | 117.8 | 163.6 | -51.2 | -175.7 | -167.5 | -88.2 | 3.6 | 117.9 | | |
| 181 | G | 32 | Very low | 34.9 | Very low | 78 Ų | 78 | 157.2 Ų | 157.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -98.8 | 139 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 182 | R | 34.1 | Very low | 35.3 | Very low | 257 Ų | 257 | 159.3 Ų | 159.3 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | | | trans | -147.3 | 156.9 | 154.9 | -74.8 | -169.7 | 177.3 | -170.3 | -1.9 | 105.9 | | |
| 183 | G | 33.4 | Very low | 35.5 | Very low | 66 Ų | 66 | 158.7 Ų | 158.7 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | | | cis | 132.6 | 58.8 | 8.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 184 | R | 31.5 | Very low | 35.5 | Very low | 242 Ų | 242 | 156 Ų | 156 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 64.5 | 162.2 | -172.4 | -67.1 | -177.4 | 169.9 | -171.6 | -2.9 | 115.7 | | |
| 185 | S | 32.3 | Very low | 35.5 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 54.9 | 106 | 163.7 | 42.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 186 | R | 35.5 | Very low | 36.1 | Very low | 237 Ų | 237 | 152.5 Ų | 152.5 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | | | trans | 34.9 | 113.3 | 147.7 | -69.3 | -175.2 | 173.3 | -176.8 | -2.3 | 120.7 | | |
| 187 | S | 36.5 | Very low | 36.2 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | 72.4 | 170 | 137 | 77.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 188 | P | 42 | Very low | 37 | Very low | 98 Ų | 98 | 155 Ų | 155 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | cis | -138.4 | -176.5 | 5.7 | 45.1 | -27.8 | 0 | 0 | 0 | 117.8 | | |
| 189 | Y | 35.2 | Very low | 37.4 | Very low | 210 Ų | 210 | 152.6 Ų | 152.6 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | 51.6 | 111.4 | 158.8 | -64.5 | -62.6 | 0 | 0 | 0 | 123 | | |
| 190 | I | 39.8 | Very low | 37.9 | Very low | 172 Ų | 172 | 155.3 Ų | 155.3 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | | -127.2 | 153.4 | 112.6 | -64.4 | -174.6 | 0 | 0 | 0 | 106.6 | | |
| 191 | A | 40.5 | Very low | 37.8 | Very low | 71 Ų | 71 | 154.8 Ų | 154.8 | 59% | 0.587 | 77% | 0.774 | S | S | * | * | | | trans | -82.9 | 179.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 192 | D | 39 | Very low | 38 | Very low | 144 Ų | 144 | 154 Ų | 154 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | 60.1 | 80.9 | 159.1 | -54.1 | -48.1 | 0 | 0 | 0 | 119.6 | | |
| 193 | R | 38.5 | Very low | 38.2 | Very low | 245 Ų | 245 | 153.8 Ų | 153.8 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | | | | -163.4 | 151.6 | 124.8 | -106 | 174.8 | -165.2 | 97.9 | -4.2 | 112.2 | | |
| 194 | G | 33.3 | Very low | 38.7 | Very low | 47 Ų | 47 | 156.8 Ų | 156.8 | 49% | 0.485 | 77% | 0.771 | S | S | . | * | | | trans | -66.7 | 173.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | E196 | G194-E196 VanDerWaalsContact C-N 3.31Å; G194-E196 PolarHBondContact O-N 2.96Å |
| 195 | S | 36.3 | Very low | 39.3 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 33.4 | -163.2 | 52.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 196 | E | 43.6 | Very low | 40.1 | Very low | 158 Ų | 158 | 150 Ų | 150 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -26.8 | -167.8 | -65.5 | 173.8 | 89.3 | 0 | 0 | 114.9 | G194 R198 | G194-E196 VanDerWaalsContact C-N 3.31Å; G194-E196 PolarHBondContact O-N 2.96Å; E196-R198 PolarHBondContact O-N 2.82Å |
| 197 | W | 37.3 | Very low | 40.8 | Very low | 178 Ų | 178 | 141 Ų | 141 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 8.3 | -159.7 | 55.4 | -95.7 | 0 | 0 | 0 | 117.4 | | |
| 198 | R | 46.8 | Very low | 41.7 | Very low | 207 Ų | 207 | 141.1 Ų | 141.1 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -12.3 | -179.3 | -74.6 | -164.6 | -177.7 | -115.4 | 6.1 | 116.3 | E196 | E196-R198 PolarHBondContact O-N 2.82Š|
| 199 | V | 45.9 | Very low | 42.7 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -84.6 | -30.7 | -168.2 | -174.5 | 0 | 0 | 0 | 0 | 113.8 | R201 | V199-R201 PolarHBondContact O-N 2.78Š|
| 200 | E | 45.8 | Very low | 44.5 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 56% | 0.556 | 73% | 0.728 | S | S | * | * | | | trans | -87.6 | 23.5 | -162.7 | -63.2 | -170.1 | 99.6 | 0 | 0 | 118.1 | R210 | E200-R210 IonicContact OE2-CZ 3.59Å; E200-R210 IonicContact OE2-NE 2.69Å; E200-R210 PolarHBondContact OE2-NE 2.98Å; E200-R210 IonicContact OE2-NH2 2.73Å; E200-R210 PolarHBondContact OE2-NH2 2.78Å |
| 201 | R | 34.4 | Very low | 46.7 | Very low | 243 Ų | 243 | 130.6 Ų | 130.6 | 92% | 0.917 | 70% | 0.703 | S | S | * | * | | | trans | -117 | 62.4 | 177.9 | -92.4 | -168.5 | -75.6 | 178.6 | -3 | 114.2 | V199 | V199-R201 PolarHBondContact O-N 2.78Š|
| 202 | G | 35.9 | Very low | 48.9 | Very low | 63 Ų | 63 | 127.2 Ų | 127.2 | 65% | 0.649 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -145 | 60.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 203 | R | 39.8 | Very low | 51.3 | Low | 251 Ų | 251 | 130 Ų | 130 | 95% | 0.947 | 68% | 0.675 | S | S | * | * | | | trans | 36.6 | 78.5 | 161.9 | -59.1 | -173.3 | -175.6 | -167.3 | 4 | 118.6 | | |
| 204 | T | 42.3 | Very low | 53.6 | Low | 130 Ų | 130 | 121.2 Ų | 121.2 | 80% | 0.798 | 65% | 0.646 | S | S | * | * | | | trans | -141.6 | 143.8 | 149.6 | 44.5 | 0 | 0 | 0 | 0 | 110.6 | G206 | T204-G206 VanDerWaalsContact C-N 3.27Å; T204-G206 PolarHBondContact O-N 3.49Å; T204-G206 VanDerWaalsContact O-N 3.16Å |
| 205 | S | 44.5 | Very low | 56.2 | Low | 139 Ų | 139 | 120.5 Ų | 120.5 | 97% | 0.972 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 45.8 | -172.8 | -54.8 | 0 | 0 | 0 | 0 | 113 | | |
| 206 | G | 48.6 | Very low | 58.6 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 75% | 0.753 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.8 | 12.5 | -172 | 0 | 0 | 0 | 0 | 0 | 116.4 | T204 | T204-G206 VanDerWaalsContact C-N 3.27Å; T204-G206 PolarHBondContact O-N 3.49Å; T204-G206 VanDerWaalsContact O-N 3.16Å |
| 207 | G | 50 | Low | 60.5 | Low | 47 Ų | 47 | 113.9 Ų | 113.9 | 49% | 0.485 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -86.2 | 161.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112 | V209 | G207-V209 PolarHBondContact O-N 3.01Š|
| 208 | P | 56.7 | Low | 62.7 | Low | 115 Ų | 115 | 109 Ų | 109 | 75% | 0.747 | 60% | 0.604 | S | S | * | * | | | trans | -54.7 | 131.5 | 177 | 23.4 | -33.6 | 0 | 0 | 0 | 110.7 | R210 | P208-R210 PolarHBondContact O-N 3.14Š|
| 209 | V | 62.4 | Low | 64.7 | Low | 88 Ų | 88 | 107 Ų | 107 | 53% | 0.533 | 60% | 0.597 | S | S | . | * | | | trans | -74.5 | 95 | -163.7 | -167.6 | 0 | 0 | 0 | 0 | 110.4 | G207 L229 | G207-V209 PolarHBondContact O-N 3.01Å; V209-L229 HydrophobicContact CB-CD1 4.03Å; V209-L229 HydrophobicContact CB-CD2 4.46Å; V209-L229 HydrophobicContact CB-CG 3.84Å; V209-L229 HydrophobicContact CG1-CD2 4.24Å; V209-L229 HydrophobicContact CG1-CG 3.76Å; V209-L229 WeakPolarHBondContact O-CD1 3.42Å; V209-L229 WeakPolarHBondContact O-CG 3.38Å |
| 210 | R | 73.9 | Confident | 66.7 | Low | 115 Ų | 115 | 102 Ų | 102 | 43% | 0.434 | 57% | 0.567 | S | S | . | * | | | trans | -51.3 | 135.4 | -177.8 | -76.5 | 168.4 | 152.9 | -119.3 | -4 | 112.1 | E200 P208 F228 L229 | E200-R210 IonicContact OE2-CZ 3.59Å; E200-R210 IonicContact OE2-NE 2.69Å; E200-R210 PolarHBondContact OE2-NE 2.98Å; E200-R210 IonicContact OE2-NH2 2.73Å; E200-R210 PolarHBondContact OE2-NH2 2.78Å; P208-R210 PolarHBondContact O-N 3.14Å; R210-F228 WeakPolarHBondContact O-CB 3.41Å; R210-L229 PolarHBondContact O-N 2.97Å |
| 211 | P | 84.6 | Confident | 68.6 | Low | 56 Ų | 56 | 108.4 Ų | 108.4 | 36% | 0.364 | 59% | 0.586 | S | S | . | * | B | Isolated β-bridge | trans | -66.8 | 151.3 | 177.1 | 26.9 | -34.2 | 0 | 0 | 0 | 112.1 | R213 V216 L229 E231 | P211-R213 PolarHBondContact O-N 3.48Å; P211-V216 HydrophobicContact CB-CG2 4.47Å; P211-L229 WeakPolarHBondContact CA-O 3.44Å; P211-E231 HydrophobicContact CB-CG 4.32Å; P211-E231 WeakPolarHBondContact CB-OE2 3.4Å |
| 212 | C | 87.5 | Confident | 70.9 | Confident | 0 Ų | 0 | 101.8 Ų | 101.8 | 0% | 0 | 56% | 0.561 | C | S | . | * | | | trans | -73.7 | 107.7 | -172.9 | 178.6 | 0 | 0 | 0 | 0 | 111 | D214 F215 V216 R222 C226 F228 L229 H230 | C212-D214 PolarHBondContact O-N 3.07Å; C212-D214 VanDerWaalsContact O-N 3.15Å; C212-F215 HydrophobicContact CB-CB 3.56Å; C212-F215 HydrophobicContact CB-CG 4.47Å; C212-F215 WeakPolarHBondContact O-CA 3.22Å; C212-F215 VanDerWaalsContact O-CB 3.3Å; C212-F215 WeakPolarHBondContact O-CB 3.23Å; C212-F215 PolarHBondContact O-N 3.15Å; C212-F215 VanDerWaalsContact SG-CB 3.58Å; C212-V216 PolarHBondContact O-N 3.33Å; C212-R222 PolarHBondContact SG-NH2 2.86Å; C212-C226 PolarHBondContact SG-SG 2.94Å; C212-F228 HydrophobicContact CB-CB 3.6Å; C212-L229 VanDerWaalsContact CB-O 3.27Å; C212-L229 WeakPolarHBondContact CB-O 3.14Å; C212-L229 PolarHBondContact N-O 3.04Å; C212-H230 VanDerWaalsContact CB-CD2 3.49Å; C212-H230 WeakPolarHBondContact CB-CD2 3.35Å |
| 213 | R | 88.3 | Confident | 72.8 | Confident | 204 Ų | 204 | 100.8 Ų | 100.8 | 77% | 0.77 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -22.4 | 178.4 | -73.2 | -174.9 | 168.5 | -163 | -7 | 114.9 | P211 A217 | P211-R213 PolarHBondContact O-N 3.48Å; R213-A217 VanDerWaalsContact O-CB 3.27Å; R213-A217 WeakPolarHBondContact O-CB 3.49Å |
| 214 | D | 88.8 | Confident | 74.6 | Confident | 59 Ų | 59 | 94.6 Ų | 94.6 | 32% | 0.316 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -27.5 | 172.2 | -64.9 | -42.7 | 0 | 0 | 0 | 111.7 | C212 A217 G218 R219 C220 R222 | C212-D214 PolarHBondContact O-N 3.07Å; C212-D214 VanDerWaalsContact O-N 3.15Å; D214-A217 CarbonylContact O-C 3.57Å; D214-G218 PolarHBondContact O-N 3.16Å; D214-R219 CarbonylContact O-C 3.57Å; D214-R219 WeakPolarHBondContact O-CA 3.37Å; D214-R219 PolarHBondContact O-N 2.67Å; D214-C220 HydrophobicContact CB-CB 3.89Å; D214-C220 PolarHBondContact O-N 2.79Å; D214-C220 VanDerWaalsContact O-N 3.08Å; D214-R222 IonicContact OD2-CZ 3.6Å; D214-R222 IonicContact OD2-NH1 2.7Å; D214-R222 PolarHBondContact OD2-NH1 2.85Å; D214-R222 IonicContact OD2-NH2 3.37Å; D214-R222 PolarHBondContact OD2-NH2 3.32Å |
| 215 | F | 87.8 | Confident | 76.3 | Confident | 32 Ų | 32 | 95.2 Ų | 95.2 | 14% | 0.14 | 54% | 0.544 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -50 | -175.7 | 175.8 | -92.8 | 0 | 0 | 0 | 111.1 | C212 A217 G218 C220 H230 D232 | C212-F215 HydrophobicContact CB-CB 3.56Å; C212-F215 HydrophobicContact CB-CG 4.47Å; C212-F215 WeakPolarHBondContact O-CA 3.22Å; C212-F215 VanDerWaalsContact O-CB 3.3Å; C212-F215 WeakPolarHBondContact O-CB 3.23Å; C212-F215 PolarHBondContact O-N 3.15Å; C212-F215 VanDerWaalsContact SG-CB 3.58Å; F215-A217 PolarHBondContact O-N 3.43Å; F215-G218 PolarHBondContact O-N 3.43Å; F215-C220 HydrophobicContact CB-CB 3.67Å; F215-C220 HydrophobicContact CD2-CB 4.28Å; F215-H230 HydrophobicContact CD1-CB 4.29Å; F215-H230 HydrophobicContact CD2-CB 4.02Å; F215-H230 AromaticContact CD2-CD2 3.5Å; F215-H230 AromaticContact CD2-CE1 3.39Å; F215-H230 WeakPolarHBondContact CD2-CE1 3.16Å; F215-H230 AromaticContact CD2-CG 3.36Å; F215-H230 AromaticContact CD2-ND1 3.29Å; F215-H230 VanDerWaalsContact CD2-ND1 3.29Å; F215-H230 WeakPolarHBondContact CD2-ND1 3.28Å; F215-H230 AromaticContact CD2-NE2 3.52Å; F215-H230 VanDerWaalsContact CE1-C 3.45Å; F215-H230 VanDerWaalsContact CE1-CA 3.45Å; F215-H230 HydrophobicContact CE1-CB 3.85Å; F215-H230 HydrophobicContact CE2-CB 3.51Å; F215-H230 AromaticContact CE2-CD2 3.95Å; F215-H230 AromaticContact CE2-CE1 3.81Å; F215-H230 AromaticContact CE2-CG 3.3Å; F215-H230 AromaticContact CE2-ND1 3.22Å; F215-H230 WeakPolarHBondContact CE2-ND1 3.26Å; F215-H230 HydrophobicContact CG-CB 4.32Å; F215-H230 AromaticContact CG-CD2 3.57Å; F215-H230 AromaticContact CG-CG 3.79Å; F215-H230 AromaticContact CG-NE2 3.82Å; F215-H230 HydrophobicContact CZ-CB 3.35Å; F215-H230 AromaticContact CZ-CG 3.69Å; F215-D232 HydrophobicContact CE1-CB 4.24Å; F215-D232 HydrophobicContact CE2-CB 4.4Å; F215-D232 WeakPolarHBondContact CE2-OD2 3.41Å; F215-D232 HydrophobicContact CZ-CB 3.53Å; F215-D232 VanDerWaalsContact CZ-OD1 3.31Å; F215-D232 WeakPolarHBondContact CZ-OD1 3.4Å; F215-D232 WeakPolarHBondContact CZ-OD2 3.11Å |
| 216 | V | 86.5 | Confident | 78.3 | Confident | 104 Ų | 104 | 89.5 Ų | 89.5 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -15.9 | 168.4 | 178 | 0 | 0 | 0 | 0 | 112.1 | P211 C212 | P211-V216 HydrophobicContact CB-CG2 4.47Å; C212-V216 PolarHBondContact O-N 3.33Å |
| 217 | A | 82.6 | Confident | 80 | Confident | 41 Ų | 41 | 96.6 Ų | 96.6 | 34% | 0.339 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 19.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R213 D214 F215 R219 | R213-A217 VanDerWaalsContact O-CB 3.27Å; R213-A217 WeakPolarHBondContact O-CB 3.49Å; D214-A217 CarbonylContact O-C 3.57Å; F215-A217 PolarHBondContact O-N 3.43Å; A217-R219 PolarHBondContact O-N 2.91Å; A217-R219 PolarHBondContact O-NH1 3.16Å |
| 218 | G | 84.5 | Confident | 81.6 | Confident | 76 Ų | 76 | 99.4 Ų | 99.4 | 78% | 0.784 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 21 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | D214 F215 | D214-G218 PolarHBondContact O-N 3.16Å; F215-G218 PolarHBondContact O-N 3.43Å |
| 219 | R | 87.6 | Confident | 82.7 | Confident | 164 Ų | 164 | 98.3 Ų | 98.3 | 62% | 0.619 | 50% | 0.495 | S | S | * | . | | | trans | -124.6 | -3.4 | -172 | -67.4 | -175 | -57 | -84.1 | 1.2 | 115.4 | D214 A217 R221 | D214-R219 CarbonylContact O-C 3.57Å; D214-R219 WeakPolarHBondContact O-CA 3.37Å; D214-R219 PolarHBondContact O-N 2.67Å; A217-R219 PolarHBondContact O-N 2.91Å; A217-R219 PolarHBondContact O-NH1 3.16Å; R219-R221 PolarHBondContact O-N 3.14Å; R219-R221 VanDerWaalsContact O-N 3.08Å |
| 220 | C | 89.1 | Confident | 83.8 | Confident | 24 Ų | 24 | 96.8 Ų | 96.8 | 16% | 0.162 | 48% | 0.482 | C | S | . | . | | | trans | -76.5 | 99 | -174.1 | -167.4 | 0 | 0 | 0 | 0 | 113.2 | D214 F215 R222 C226 H230 | D214-C220 HydrophobicContact CB-CB 3.89Å; D214-C220 PolarHBondContact O-N 2.79Å; D214-C220 VanDerWaalsContact O-N 3.08Å; F215-C220 HydrophobicContact CB-CB 3.67Å; F215-C220 HydrophobicContact CD2-CB 4.28Å; C220-R222 PolarHBondContact O-N 2.66Å; C220-C226 VanDerWaalsContact SG-SG 3.68Å; C220-H230 VanDerWaalsContact SG-CE1 3.6Å; C220-H230 PolarHBondContact SG-NE2 3.33Å |
| 221 | R | 85.2 | Confident | 83.8 | Confident | 252 Ų | 252 | 97.6 Ų | 97.6 | 95% | 0.951 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 16.6 | 173.5 | -63.3 | -177.5 | 177.6 | -105.5 | -0.9 | 114.7 | R219 | R219-R221 PolarHBondContact O-N 3.14Å; R219-R221 VanDerWaalsContact O-N 3.08Å |
| 222 | R | 81.7 | Confident | 82.3 | Confident | 105 Ų | 105 | 101 Ų | 101 | 40% | 0.396 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -12.9 | -173.9 | -63.4 | 179.9 | -69.1 | -104 | -2.3 | 114.3 | C212 D214 C220 N225 C226 | C212-R222 PolarHBondContact SG-NH2 2.86Å; D214-R222 IonicContact OD2-CZ 3.6Å; D214-R222 IonicContact OD2-NH1 2.7Å; D214-R222 PolarHBondContact OD2-NH1 2.85Å; D214-R222 IonicContact OD2-NH2 3.37Å; D214-R222 PolarHBondContact OD2-NH2 3.32Å; C220-R222 PolarHBondContact O-N 2.66Å; R222-N225 CarbonylContact O-C 3.36Å; R222-N225 WeakPolarHBondContact O-CA 3.23Å; R222-N225 WeakPolarHBondContact O-CB 3.32Å; R222-N225 PolarHBondContact O-N 3.15Å; R222-N225 VanDerWaalsContact O-N 3.09Å; R222-C226 HydrophobicContact CB-CB 3.89Å; R222-C226 PolarHBondContact NE-SG 2.96Å |
| 223 | G | 76.8 | Confident | 80.2 | Confident | 41 Ų | 41 | 105.2 Ų | 105.2 | 42% | 0.423 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | 53.5 | -142.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N225 C226 H230 | G223-N225 PolarHBondContact O-N 2.65Å; G223-C226 WeakPolarHBondContact O-CB 3.4Å; G223-C226 PolarHBondContact O-N 2.96Å; G223-H230 PolarHBondContact O-CE1 3.47Å; G223-H230 PolarHBondContact O-ND1 2.97Å |
| 224 | S | 77.8 | Confident | 77.7 | Confident | 121 Ų | 121 | 98.8 Ų | 98.8 | 85% | 0.846 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -60.3 | -23 | 172.8 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | C226 | S224-C226 PolarHBondContact O-N 3.22Å; S224-C226 VanDerWaalsContact O-N 3.12Å |
| 225 | N | 77.6 | Confident | 75.3 | Confident | 143 Ų | 143 | 104.9 Ų | 104.9 | 77% | 0.765 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -78.3 | 17.1 | 175.4 | -69.1 | -49 | 0 | 0 | 0 | 113.5 | R222 G223 | R222-N225 CarbonylContact O-C 3.36Å; R222-N225 WeakPolarHBondContact O-CA 3.23Å; R222-N225 WeakPolarHBondContact O-CB 3.32Å; R222-N225 PolarHBondContact O-N 3.15Å; R222-N225 VanDerWaalsContact O-N 3.09Å; G223-N225 PolarHBondContact O-N 2.65Å |
| 226 | C | 86.5 | Confident | 73 | Confident | 20 Ų | 20 | 114 Ų | 114 | 14% | 0.135 | 61% | 0.606 | C | S | . | * | | | trans | -82.4 | 132.7 | 174.9 | -163.4 | 0 | 0 | 0 | 0 | 112 | C212 C220 R222 G223 S224 F228 H230 | C212-C226 PolarHBondContact SG-SG 2.94Å; C220-C226 VanDerWaalsContact SG-SG 3.68Å; R222-C226 HydrophobicContact CB-CB 3.89Å; R222-C226 PolarHBondContact NE-SG 2.96Å; G223-C226 WeakPolarHBondContact O-CB 3.4Å; G223-C226 PolarHBondContact O-N 2.96Å; S224-C226 PolarHBondContact O-N 3.22Å; S224-C226 VanDerWaalsContact O-N 3.12Å; C226-F228 PolarHBondContact O-N 3.49Å; C226-F228 VanDerWaalsContact O-N 3.08Å; C226-H230 WeakPolarHBondContact CB-NE2 3.43Å; C226-H230 PolarHBondContact SG-NE2 3.03Å |
| 227 | R | 84.4 | Confident | 70.6 | Confident | 221 Ų | 221 | 114.3 Ų | 114.3 | 83% | 0.834 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -78.2 | 17.6 | 178.9 | -62.1 | -177.1 | 61.6 | 155.1 | 3.7 | 114.6 | | |
| 228 | F | 83 | Confident | 68.3 | Low | 106 Ų | 106 | 121.9 Ų | 121.9 | 47% | 0.465 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -148.5 | 143.2 | -174.9 | -63.6 | -71.8 | 0 | 0 | 0 | 107.8 | R210 C212 C226 H230 | R210-F228 WeakPolarHBondContact O-CB 3.41Å; C212-F228 HydrophobicContact CB-CB 3.6Å; C226-F228 PolarHBondContact O-N 3.49Å; C226-F228 VanDerWaalsContact O-N 3.08Å; F228-H230 PolarHBondContact O-CD2 3.18Å |
| 229 | L | 80.2 | Confident | 66.3 | Low | 92 Ų | 92 | 123.1 Ų | 123.1 | 48% | 0.482 | 63% | 0.625 | S | S | . | * | B | Isolated β-bridge | trans | -60.5 | 146.7 | -173.2 | -73.7 | -177.1 | 0 | 0 | 0 | 113.1 | V209 R210 P211 C212 | V209-L229 HydrophobicContact CB-CD1 4.03Å; V209-L229 HydrophobicContact CB-CD2 4.46Å; V209-L229 HydrophobicContact CB-CG 3.84Å; V209-L229 HydrophobicContact CG1-CD2 4.24Å; V209-L229 HydrophobicContact CG1-CG 3.76Å; V209-L229 WeakPolarHBondContact O-CD1 3.42Å; V209-L229 WeakPolarHBondContact O-CG 3.38Å; R210-L229 PolarHBondContact O-N 2.97Å; P211-L229 WeakPolarHBondContact CA-O 3.44Å; C212-L229 VanDerWaalsContact CB-O 3.27Å; C212-L229 WeakPolarHBondContact CB-O 3.14Å; C212-L229 PolarHBondContact N-O 3.04Å |
| 230 | H | 86.2 | Confident | 63.9 | Low | 57 Ų | 57 | 122.8 Ų | 122.8 | 26% | 0.264 | 64% | 0.636 | S | S | . | * | | | trans | -114 | 100.3 | 177.3 | -84 | -160 | 0 | 0 | 0 | 107.3 | C212 F215 C220 G223 C226 F228 D232 | C212-H230 VanDerWaalsContact CB-CD2 3.49Å; C212-H230 WeakPolarHBondContact CB-CD2 3.35Å; F215-H230 HydrophobicContact CD1-CB 4.29Å; F215-H230 HydrophobicContact CD2-CB 4.02Å; F215-H230 AromaticContact CD2-CD2 3.5Å; F215-H230 AromaticContact CD2-CE1 3.39Å; F215-H230 WeakPolarHBondContact CD2-CE1 3.16Å; F215-H230 AromaticContact CD2-CG 3.36Å; F215-H230 AromaticContact CD2-ND1 3.29Å; F215-H230 VanDerWaalsContact CD2-ND1 3.29Å; F215-H230 WeakPolarHBondContact CD2-ND1 3.28Å; F215-H230 AromaticContact CD2-NE2 3.52Å; F215-H230 VanDerWaalsContact CE1-C 3.45Å; F215-H230 VanDerWaalsContact CE1-CA 3.45Å; F215-H230 HydrophobicContact CE1-CB 3.85Å; F215-H230 HydrophobicContact CE2-CB 3.51Å; F215-H230 AromaticContact CE2-CD2 3.95Å; F215-H230 AromaticContact CE2-CE1 3.81Å; F215-H230 AromaticContact CE2-CG 3.3Å; F215-H230 AromaticContact CE2-ND1 3.22Å; F215-H230 WeakPolarHBondContact CE2-ND1 3.26Å; F215-H230 HydrophobicContact CG-CB 4.32Å; F215-H230 AromaticContact CG-CD2 3.57Å; F215-H230 AromaticContact CG-CG 3.79Å; F215-H230 AromaticContact CG-NE2 3.82Å; F215-H230 HydrophobicContact CZ-CB 3.35Å; F215-H230 AromaticContact CZ-CG 3.69Å; C220-H230 VanDerWaalsContact SG-CE1 3.6Å; C220-H230 PolarHBondContact SG-NE2 3.33Å; G223-H230 PolarHBondContact O-CE1 3.47Å; G223-H230 PolarHBondContact O-ND1 2.97Å; C226-H230 WeakPolarHBondContact CB-NE2 3.43Å; C226-H230 PolarHBondContact SG-NE2 3.03Å; F228-H230 PolarHBondContact O-CD2 3.18Å; H230-D232 PolarHBondContact O-N 3.37Å |
| 231 | E | 72.3 | Confident | 61.6 | Low | 132 Ų | 132 | 128.8 Ų | 128.8 | 62% | 0.617 | 66% | 0.661 | S | S | * | * | | | trans | -83.5 | 29.8 | -177.2 | -61.9 | 174.1 | 124.6 | 0 | 0 | 113.6 | P211 G233 | P211-E231 HydrophobicContact CB-CG 4.32Å; P211-E231 WeakPolarHBondContact CB-OE2 3.4Å; E231-G233 PolarHBondContact O-N 3.1Å |
| 232 | D | 54.1 | Low | 59.3 | Low | 126 Ų | 126 | 126.2 Ų | 126.2 | 67% | 0.674 | 65% | 0.652 | S | S | * | * | | | trans | -73 | 117.1 | 172.3 | -80.3 | -17.2 | 0 | 0 | 0 | 108.1 | F215 H230 G234 | F215-D232 HydrophobicContact CE1-CB 4.24Å; F215-D232 HydrophobicContact CE2-CB 4.4Å; F215-D232 WeakPolarHBondContact CE2-OD2 3.41Å; F215-D232 HydrophobicContact CZ-CB 3.53Å; F215-D232 VanDerWaalsContact CZ-OD1 3.31Å; F215-D232 WeakPolarHBondContact CZ-OD1 3.4Å; F215-D232 WeakPolarHBondContact CZ-OD2 3.11Å; H230-D232 PolarHBondContact O-N 3.37Å; D232-G234 PolarHBondContact O-N 3.06Å |
| 233 | G | 42.7 | Very low | 57.5 | Low | 89 Ų | 89 | 125.9 Ų | 125.9 | 92% | 0.918 | 66% | 0.664 | S | S | * | * | | | trans | -72.4 | 68.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E231 | E231-G233 PolarHBondContact O-N 3.1Š|
| 234 | G | 36.5 | Very low | 55.7 | Low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | | | trans | -97.3 | 91.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D232 | D232-G234 PolarHBondContact O-N 3.06Š|
| 235 | H | 39.4 | Very low | 53.8 | Low | 187 Ų | 187 | 129 Ų | 129 | 87% | 0.866 | 67% | 0.674 | S | S | * | * | | | trans | 59.5 | 107.7 | 165.7 | -98 | -83.7 | 0 | 0 | 0 | 120.4 | | |
| 236 | R | 38.4 | Very low | 52 | Low | 222 Ų | 222 | 127.4 Ų | 127.4 | 84% | 0.838 | 67% | 0.672 | S | S | * | * | | | trans | -81.7 | -171.2 | 136.8 | -68.4 | -171.6 | 175.8 | -153.6 | 1.6 | 108.4 | | |
| 237 | P | 37.1 | Very low | 49.7 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | | | cis | -133.7 | 166 | -3.3 | 41.3 | -25 | 0 | 0 | 0 | 116.1 | | |
| 238 | F | 34 | Very low | 47.3 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 87% | 0.873 | 70% | 0.696 | S | S | * | * | | | | -143.7 | 158 | 127.8 | -139 | -95.3 | 0 | 0 | 0 | 108.3 | | |
| 239 | D | 41.1 | Very low | 45.4 | Very low | 103 Ų | 103 | 137 Ų | 137 | 55% | 0.551 | 71% | 0.708 | S | S | * | * | | | trans | -136.6 | 134.4 | -168.1 | -161.1 | -65.9 | 0 | 0 | 0 | 109.2 | H241 | D239-H241 IonicContact OD1-CE1 2.68Å; D239-H241 PolarHBondContact OD1-CE1 3.34Å; D239-H241 IonicContact OD1-CG 3.37Å; D239-H241 IonicContact OD1-ND1 3.48Å; D239-H241 PolarHBondContact OD1-ND1 3.39Å; D239-H241 IonicContact OD2-CE1 3.18Å; D239-H241 IonicContact OD2-ND1 2.73Å |
| 240 | D | 38.1 | Very low | 43.3 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 84% | 0.84 | 72% | 0.723 | S | S | * | * | | | trans | -152 | 89.1 | 174.6 | -97.9 | -50.2 | 0 | 0 | 0 | 108.8 | | |
| 241 | H | 41.4 | Very low | 41.1 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | | | trans | -88.8 | 143.6 | 166.6 | -69.5 | 74.2 | 0 | 0 | 0 | 109.9 | D239 | D239-H241 IonicContact OD1-CE1 2.68Å; D239-H241 PolarHBondContact OD1-CE1 3.34Å; D239-H241 IonicContact OD1-CG 3.37Å; D239-H241 IonicContact OD1-ND1 3.48Å; D239-H241 PolarHBondContact OD1-ND1 3.39Å; D239-H241 IonicContact OD2-CE1 3.18Å; D239-H241 IonicContact OD2-ND1 2.73Å |
| 242 | Y | 36.4 | Very low | 39.2 | Very low | 198 Ų | 198 | 147 Ų | 147 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | | -165.7 | 161.1 | 127.6 | -117.7 | -130.3 | 0 | 0 | 0 | 111.5 | | |
| 243 | P | 43.6 | Very low | 38.5 | Very low | 98 Ų | 98 | 149.1 Ų | 149.1 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | | -145 | -129.4 | -110.9 | 41.5 | -16.5 | 0 | 0 | 0 | 113.2 | | |
| 244 | A | 39.9 | Very low | 37.9 | Very low | 93 Ų | 93 | 150.3 Ų | 150.3 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | 73.1 | 131.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 245 | D | 37 | Very low | 38 | Very low | 135 Ų | 135 | 156.7 Ų | 156.7 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | cis | -142.5 | 125.4 | 2.8 | 176.4 | 0.7 | 0 | 0 | 0 | 110.9 | | |
| 246 | P | 39.7 | Very low | 37.7 | Very low | 110 Ų | 110 | 156.5 Ų | 156.5 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | trans | -121.9 | 117.3 | 162.6 | 34.1 | -18.4 | 0 | 0 | 0 | 113.9 | | |
| 247 | R | 37.7 | Very low | 37.7 | Very low | 226 Ų | 226 | 154.6 Ų | 154.6 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | 121.4 | 57.6 | 153.3 | -62.8 | 172.9 | 66.5 | 142.7 | 1.8 | 118 | | |
| 248 | E | 34.8 | Very low | 38.1 | Very low | 135 Ų | 135 | 156.6 Ų | 156.6 | 63% | 0.631 | 76% | 0.761 | S | S | * | * | | | trans | -106.2 | 142.7 | 142.3 | -80.1 | -88.8 | 123.6 | 0 | 0 | 108.7 | | |
| 249 | R | 43 | Very low | 38.3 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | cis | -153.7 | 143 | -12.5 | 173.6 | 171.8 | -76.3 | -122.3 | -5.6 | 109.5 | | |
| 250 | Y | 37.1 | Very low | 38.2 | Very low | 203 Ų | 203 | 154 Ų | 154 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | trans | -18.4 | 150.5 | 164.3 | -59.5 | -107.6 | 0 | 0 | 0 | 117.9 | | |
| 251 | G | 38.6 | Very low | 38.3 | Very low | 63 Ų | 63 | 157.6 Ų | 157.6 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | cis | 131.7 | 172.8 | 5.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 252 | Y | 33.3 | Very low | 38.1 | Very low | 225 Ų | 225 | 154 Ų | 154 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | | | trans | 67.1 | 146.8 | 172.3 | -96.4 | -141.8 | 0 | 0 | 0 | 116 | | |
| 253 | Q | 38.1 | Very low | 38.3 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | cis | -130.7 | 156.3 | 5.2 | -63.5 | -172.3 | 8.6 | 0 | 0 | 112.6 | | |
| 254 | S | 30.4 | Very low | 37.9 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -76.7 | 148 | 159.7 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 255 | K | 39.7 | Very low | 37.8 | Very low | 204 Ų | 204 | 154.6 Ų | 154.6 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | | | | -156.4 | 152.2 | 123.2 | -139.1 | 170.4 | -177.2 | 177.2 | 0 | 112.7 | | |
| 256 | E | 32.8 | Very low | 37.6 | Very low | 182 Ų | 182 | 158.6 Ų | 158.6 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | | | trans | -88.3 | 125.9 | -178.7 | -61 | 142 | 140.7 | 0 | 0 | 111.1 | | |
| 257 | F | 38.2 | Very low | 37.5 | Very low | 183 Ų | 183 | 161.6 Ų | 161.6 | 80% | 0.803 | 79% | 0.786 | S | S | * | * | | | trans | -158 | 110.6 | 155.8 | -138.1 | -105.6 | 0 | 0 | 0 | 105.7 | | |
| 258 | M | 44.7 | Very low | 37.5 | Very low | 153 Ų | 153 | 161.7 Ų | 161.7 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | | | | 46.4 | 115 | 90.7 | -66.4 | -62.7 | 170.5 | 0 | 0 | 111.3 | | |
| 259 | D | 38.1 | Very low | 37.7 | Very low | 131 Ų | 131 | 160.2 Ų | 160.2 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | | -158.5 | 136.1 | 70.8 | -117.4 | -52.8 | 0 | 0 | 0 | 116.4 | | |
| 260 | T | 40.4 | Very low | 37.2 | Very low | 116 Ų | 116 | 159.9 Ų | 159.9 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | | | trans | 34.4 | 93.5 | 130.6 | -50.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 261 | R | 40.3 | Very low | 37.2 | Very low | 234 Ų | 234 | 159 Ų | 159 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | | 170.4 | 111.5 | 121.3 | -174.4 | 168 | -63.1 | -165.1 | 0.8 | 111.5 | | |
| 262 | G | 35.7 | Very low | 37 | Very low | 72 Ų | 72 | 160.9 Ų | 160.9 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | -79 | 138.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 263 | P | 41.9 | Very low | 37 | Very low | 121 Ų | 121 | 161.3 Ų | 161.3 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | trans | -95.3 | 85.6 | 174.1 | 35.5 | -31.9 | 0 | 0 | 0 | 112.5 | | |
| 264 | N | 34.3 | Very low | 36.9 | Very low | 140 Ų | 140 | 159.4 Ų | 159.4 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | trans | -95.9 | 156.3 | 164.4 | -83.6 | -17.5 | 0 | 0 | 0 | 111.4 | | |
| 265 | D | 37.2 | Very low | 37.1 | Very low | 142 Ų | 142 | 164.1 Ų | 164.1 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | 62.7 | 49 | 152.4 | -53.2 | -30 | 0 | 0 | 0 | 120.5 | L267 | D265-L267 VanDerWaalsContact C-N 3.29Å; D265-L267 PolarHBondContact O-N 3.25Å |
| 266 | Y | 34 | Very low | 37 | Very low | 219 Ų | 219 | 164.8 Ų | 164.8 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | -75.2 | 75.8 | 161.8 | -83.5 | -70.5 | 0 | 0 | 0 | 113.5 | R268 | Y266-R268 VanDerWaalsContact C-N 3.29Å; Y266-R268 PolarHBondContact O-N 2.88Å |
| 267 | L | 37.1 | Very low | 37.5 | Very low | 172 Ų | 172 | 162.7 Ų | 162.7 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | | | trans | -73.6 | 72.2 | 166.7 | -83.2 | 171.6 | 0 | 0 | 0 | 112.5 | D265 | D265-L267 VanDerWaalsContact C-N 3.29Å; D265-L267 PolarHBondContact O-N 3.25Å |
| 268 | R | 37.5 | Very low | 37.5 | Very low | 229 Ų | 229 | 161 Ų | 161 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | -149.7 | 129.1 | 162.1 | -90.5 | -171 | 175.8 | 174.3 | -1.5 | 110.1 | Y266 | Y266-R268 VanDerWaalsContact C-N 3.29Å; Y266-R268 PolarHBondContact O-N 2.88Å |
| 269 | S | 38.4 | Very low | 37.3 | Very low | 104 Ų | 104 | 164 Ų | 164 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | cis | -143.5 | 131.4 | -1.9 | -67.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 270 | R | 33.5 | Very low | 37.3 | Very low | 179 Ų | 179 | 163 Ų | 163 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | | | trans | -117.2 | 63 | 172.4 | -167.8 | -180 | -177.4 | -113.2 | 4.2 | 110.6 | D850 | R270-D850 IonicContact CZ-OD1 3.78Å; R270-D850 IonicContact CZ-OD2 2.61Å; R270-D850 IonicContact NH1-OD1 3.44Å; R270-D850 PolarHBondContact NH1-OD1 3.26Å; R270-D850 IonicContact NH1-OD2 3.4Å; R270-D850 PolarHBondContact NH1-OD2 3.17Å; R270-D850 VanDerWaalsContact NH2-CG 3.31Å; R270-D850 IonicContact NH2-OD1 3.35Å; R270-D850 PolarHBondContact NH2-OD1 3.46Å; R270-D850 IonicContact NH2-OD2 2.61Å |
| 271 | Q | 36.5 | Very low | 36.8 | Very low | 183 Ų | 183 | 167.3 Ų | 167.3 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -167.7 | 163.2 | 168 | -111.8 | 145.3 | 106 | 0 | 0 | 112 | | |
| 272 | S | 34.7 | Very low | 36.5 | Very low | 103 Ų | 103 | 164.8 Ų | 164.8 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | 65.2 | 113.2 | -156.6 | -168.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 273 | R | 32.5 | Very low | 36.3 | Very low | 234 Ų | 234 | 171.9 Ų | 171.9 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | cis | 60.5 | 76.9 | -1 | -161.2 | -170.4 | -143.4 | -171.7 | 7 | 116 | | |
| 274 | D | 36 | Very low | 35.9 | Very low | 131 Ų | 131 | 171.3 Ų | 171.3 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -156.1 | 150.8 | 130.8 | -84.5 | -47.5 | 0 | 0 | 0 | 106.7 | | |
| 275 | R | 35.3 | Very low | 35.7 | Very low | 215 Ų | 215 | 172.4 Ų | 172.4 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | cis | 127.3 | 76.4 | 4.4 | -173.7 | -170.1 | -159.2 | 176 | 4.2 | 109 | | |
| 276 | Y | 38.5 | Very low | 36.2 | Very low | 218 Ų | 218 | 171.7 Ų | 171.7 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | -155.7 | 138.7 | 165 | -76.8 | -77.8 | 0 | 0 | 0 | 105.8 | | |
| 277 | D | 42.3 | Very low | 36.3 | Very low | 138 Ų | 138 | 172.3 Ų | 172.3 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | cis | -152.2 | 167.6 | -11.4 | -148.8 | -110.8 | 0 | 0 | 0 | 110.1 | | |
| 278 | D | 37.7 | Very low | 36.4 | Very low | 148 Ų | 148 | 174.9 Ų | 174.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -86.9 | 131.1 | -173.9 | -83 | -84.3 | 0 | 0 | 0 | 113.4 | | |
| 279 | R | 41 | Very low | 36.5 | Very low | 216 Ų | 216 | 170.6 Ų | 170.6 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | | | trans | -162.2 | 115.8 | 158 | -118.8 | 160.2 | -178.9 | -98.1 | -4.4 | 114.5 | | |
| 280 | P | 37.5 | Very low | 36.6 | Very low | 108 Ų | 108 | 175.1 Ų | 175.1 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | -108.2 | 104.7 | -175.6 | 36.3 | -28.6 | 0 | 0 | 0 | 113.8 | | |
| 281 | W | 31.4 | Very low | 37.1 | Very low | 207 Ų | 207 | 176.3 Ų | 176.3 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | | | trans | -140.7 | 93.5 | 173.9 | -59.2 | 103.2 | 0 | 0 | 0 | 113.8 | | |
| 282 | E | 33.8 | Very low | 37.7 | Very low | 182 Ų | 182 | 177.5 Ų | 177.5 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | | | trans | -1.7 | 111.6 | 139.1 | -179.6 | -176 | -114.7 | 0 | 0 | 118.3 | | |
| 283 | R | 30.3 | Very low | 39 | Very low | 221 Ų | 221 | 177 Ų | 177 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -167.7 | 122.2 | 140.2 | -166.5 | 148.8 | -73.2 | -130.8 | -3.6 | 114.9 | | |
| 284 | S | 34.5 | Very low | 41 | Very low | 109 Ų | 109 | 171.5 Ų | 171.5 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | 53.4 | 135.3 | 149.7 | -58 | 0 | 0 | 0 | 0 | 122.9 | | |
| 285 | E | 30.6 | Very low | 43.3 | Very low | 163 Ų | 163 | 171.1 Ų | 171.1 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 147.2 | 174 | -56.4 | -167.4 | 147.8 | 0 | 0 | 115.2 | | |
| 286 | P | 46 | Very low | 45.9 | Very low | 127 Ų | 127 | 161 Ų | 161 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 118.8 | 143.6 | -7.9 | 26.3 | 0 | 0 | 0 | 109.5 | | |
| 287 | R | 37.3 | Very low | 48.1 | Very low | 232 Ų | 232 | 156.8 Ų | 156.8 | 88% | 0.875 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 151.5 | -173.1 | -58.7 | 159.2 | 103.4 | 98.8 | -7.6 | 113.9 | | |
| 288 | R | 38.5 | Very low | 50.2 | Low | 226 Ų | 226 | 154 Ų | 154 | 85% | 0.853 | 70% | 0.7 | S | S | * | * | | | trans | -42.5 | 137.9 | 155.5 | -68.3 | 171.3 | 166.2 | -95.1 | -0.4 | 111.1 | | |
| 289 | D | 39.5 | Very low | 52.6 | Low | 139 Ų | 139 | 150.5 Ų | 150.5 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | | | trans | -163.2 | 150.7 | 139.8 | -115.1 | -28.7 | 0 | 0 | 0 | 115.8 | | |
| 290 | Y | 40.9 | Very low | 54.8 | Low | 198 Ų | 198 | 143.5 Ų | 143.5 | 78% | 0.776 | 67% | 0.666 | S | S | * | * | | | trans | 41.3 | 84.9 | 167.4 | -66.4 | -86.2 | 0 | 0 | 0 | 122.2 | | |
| 291 | R | 45.2 | Very low | 56.9 | Low | 204 Ų | 204 | 144.8 Ų | 144.8 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | | | | -147.5 | 128.9 | 120.7 | -163.4 | 174.8 | -86.1 | -135.1 | -0.4 | 108.6 | E866 | R291-E866 IonicContact CZ-OE2 3.05Å; R291-E866 IonicContact NH1-OE1 3.81Å; R291-E866 PolarHBondContact NH1-OE1 2.67Å; R291-E866 IonicContact NH1-OE2 2.74Å; R291-E866 PolarHBondContact NH1-OE2 2.84Å; R291-E866 IonicContact NH2-OE2 3.36Å; R291-E866 PolarHBondContact NH2-OE2 3.11Å |
| 292 | Y | 48.4 | Very low | 59.4 | Low | 209 Ų | 209 | 138.5 Ų | 138.5 | 82% | 0.82 | 66% | 0.66 | S | S | * | * | | | trans | -61.7 | 139.2 | -175 | -107.3 | -106.4 | 0 | 0 | 0 | 111.4 | E294 | Y292-E294 PolarHBondContact O-N 3.32Å; Y292-E294 VanDerWaalsContact O-N 3.08Å |
| 293 | P | 62 | Low | 62 | Low | 92 Ų | 92 | 137.3 Ų | 137.3 | 60% | 0.597 | 65% | 0.652 | S | S | * | * | | | trans | -80.8 | 94 | -179.1 | 33.1 | -34.3 | 0 | 0 | 0 | 110.1 | Q295 A313 | P293-Q295 PolarHBondContact O-N 2.8Å; P293-A313 HydrophobicContact CB-CB 4.22Å |
| 294 | E | 73.5 | Confident | 64.8 | Low | 119 Ų | 119 | 128 Ų | 128 | 56% | 0.556 | 62% | 0.621 | S | S | * | * | | | trans | -50.8 | 139.8 | 174.3 | -75.4 | -171 | -175.6 | 0 | 0 | 111.7 | Y292 C296 F312 A313 | Y292-E294 PolarHBondContact O-N 3.32Å; Y292-E294 VanDerWaalsContact O-N 3.08Å; E294-C296 PolarHBondContact O-N 3.13Å; E294-F312 HydrophobicContact CB-CD1 4.13Å; E294-F312 HydrophobicContact CB-CE1 4.48Å; E294-F312 WeakPolarHBondContact O-CB 3.41Å; E294-A313 PolarHBondContact O-N 2.74Å |
| 295 | Q | 84.7 | Confident | 67.2 | Low | 123 Ų | 123 | 132 Ų | 132 | 58% | 0.575 | 63% | 0.63 | S | S | * | * | B | Isolated β-bridge | trans | -61.8 | 134.6 | 175.7 | -64.6 | -177.8 | 10.3 | 0 | 0 | 109.8 | P293 F297 | P293-Q295 PolarHBondContact O-N 2.8Å; Q295-F297 PolarHBondContact O-N 2.83Å |
| 296 | C | 89.2 | Confident | 69.6 | Low | 2 Ų | 2 | 129.8 Ų | 129.8 | 1% | 0.014 | 61% | 0.614 | C | S | . | * | | | trans | -65.1 | 105.5 | 179.5 | -179 | 0 | 0 | 0 | 0 | 110.2 | E294 N298 F299 A300 C304 F312 A313 H314 | E294-C296 PolarHBondContact O-N 3.13Å; C296-N298 PolarHBondContact O-N 3.14Å; C296-F299 HydrophobicContact CB-CB 3.69Å; C296-F299 WeakPolarHBondContact O-CA 3.22Å; C296-F299 WeakPolarHBondContact O-CB 3.39Å; C296-F299 PolarHBondContact O-N 2.97Å; C296-A300 PolarHBondContact O-N 3.02Å; C296-C304 VanDerWaalsContact SG-SG 3.66Å; C296-F312 HydrophobicContact CB-CB 3.6Å; C296-A313 PolarHBondContact N-O 2.84Å; C296-H314 VanDerWaalsContact CB-CD2 3.47Å; C296-H314 WeakPolarHBondContact CB-CD2 3.2Å |
| 297 | F | 85 | Confident | 70.9 | Confident | 129 Ų | 129 | 125.7 Ų | 125.7 | 57% | 0.566 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -18.1 | 176.8 | -71.5 | -77.3 | 0 | 0 | 0 | 114.5 | Q295 K301 | Q295-F297 PolarHBondContact O-N 2.83Å; F297-K301 WeakPolarHBondContact O-CD 3.42Å; F297-K301 WeakPolarHBondContact O-CE 3.4Å; F297-K301 WeakPolarHBondContact O-CG 3.35Å |
| 298 | N | 86.9 | Confident | 72.7 | Confident | 79 Ų | 79 | 120 Ų | 120 | 42% | 0.422 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -30.7 | 172.7 | -62 | -63.5 | 0 | 0 | 0 | 112.3 | C296 K301 G302 K303 C304 | C296-N298 PolarHBondContact O-N 3.14Å; N298-K301 CarbonylContact O-C 3.5Å; N298-K301 PolarHBondContact O-N 2.93Å; N298-G302 PolarHBondContact O-N 3.06Å; N298-K303 CarbonylContact O-C 3.57Å; N298-K303 WeakPolarHBondContact O-CA 3.47Å; N298-K303 PolarHBondContact O-N 3.15Å; N298-C304 HydrophobicContact CB-CB 4Å; N298-C304 PolarHBondContact O-N 3.36Å; N298-C304 VanDerWaalsContact O-N 3.16Å |
| 299 | F | 88.8 | Confident | 74.7 | Confident | 75 Ų | 75 | 114.2 Ų | 114.2 | 33% | 0.329 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.8 | -48.4 | 174.2 | -176.1 | -99.7 | 0 | 0 | 0 | 110.3 | C296 K301 G302 C304 H314 S315 | C296-F299 HydrophobicContact CB-CB 3.69Å; C296-F299 WeakPolarHBondContact O-CA 3.22Å; C296-F299 WeakPolarHBondContact O-CB 3.39Å; C296-F299 PolarHBondContact O-N 2.97Å; F299-K301 PolarHBondContact O-N 2.96Å; F299-G302 PolarHBondContact O-N 3.05Å; F299-C304 HydrophobicContact CB-CB 4.08Å; F299-H314 HydrophobicContact CD1-CB 4.15Å; F299-H314 HydrophobicContact CD2-CB 3.88Å; F299-H314 AromaticContact CD2-CD2 3.73Å; F299-H314 AromaticContact CD2-CE1 3.72Å; F299-H314 AromaticContact CD2-CG 3.41Å; F299-H314 VanDerWaalsContact CD2-CG 3.41Å; F299-H314 AromaticContact CD2-ND1 3.42Å; F299-H314 WeakPolarHBondContact CD2-ND1 3.23Å; F299-H314 AromaticContact CD2-NE2 3.9Å; F299-H314 HydrophobicContact CE1-CB 4.09Å; F299-H314 HydrophobicContact CE2-CB 3.82Å; F299-H314 AromaticContact CE2-CG 3.79Å; F299-H314 AromaticContact CE2-ND1 3.75Å; F299-H314 HydrophobicContact CG-CB 4.05Å; F299-H314 AromaticContact CG-CD2 3.64Å; F299-H314 AromaticContact CG-CG 3.69Å; F299-H314 HydrophobicContact CZ-CB 3.92Å; F299-S315 WeakPolarHBondContact CE1-O 3.29Å |
| 300 | A | 86.2 | Confident | 77 | Confident | 70 Ų | 70 | 108.6 Ų | 108.6 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -9.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C296 | C296-A300 PolarHBondContact O-N 3.02Š|
| 301 | K | 81.4 | Confident | 79.1 | Confident | 134 Ų | 134 | 106 Ų | 106 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 12.5 | 175.6 | -65.8 | 174.5 | -166.4 | 159.7 | 0 | 113.2 | F297 N298 F299 K303 | F297-K301 WeakPolarHBondContact O-CD 3.42Å; F297-K301 WeakPolarHBondContact O-CE 3.4Å; F297-K301 WeakPolarHBondContact O-CG 3.35Å; N298-K301 CarbonylContact O-C 3.5Å; N298-K301 PolarHBondContact O-N 2.93Å; F299-K301 PolarHBondContact O-N 2.96Å; K301-K303 VanDerWaalsContact C-N 3.29Å; K301-K303 HydrophobicContact CB-CD 4.48Å; K301-K303 WeakPolarHBondContact O-CD 3.37Å; K301-K303 VanDerWaalsContact O-CG 3.3Å; K301-K303 WeakPolarHBondContact O-CG 3.44Å; K301-K303 PolarHBondContact O-N 3.41Å |
| 302 | G | 84.8 | Confident | 81 | Confident | 75 Ų | 75 | 100 Ų | 100 | 77% | 0.773 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 23.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | N298 F299 | N298-G302 PolarHBondContact O-N 3.06Å; F299-G302 PolarHBondContact O-N 3.05Å |
| 303 | K | 87.3 | Confident | 82.6 | Confident | 158 Ų | 158 | 91.6 Ų | 91.6 | 69% | 0.687 | 52% | 0.515 | S | S | * | . | | | trans | -130.9 | 12.6 | -165.3 | -73.4 | 163.7 | -170.2 | 175.1 | 0 | 114.2 | N298 K301 M305 | N298-K303 CarbonylContact O-C 3.57Å; N298-K303 WeakPolarHBondContact O-CA 3.47Å; N298-K303 PolarHBondContact O-N 3.15Å; K301-K303 VanDerWaalsContact C-N 3.29Å; K301-K303 HydrophobicContact CB-CD 4.48Å; K301-K303 WeakPolarHBondContact O-CD 3.37Å; K301-K303 VanDerWaalsContact O-CG 3.3Å; K301-K303 WeakPolarHBondContact O-CG 3.44Å; K301-K303 PolarHBondContact O-N 3.41Å; K303-M305 PolarHBondContact O-N 2.62Å; K303-M305 VanDerWaalsContact O-N 3.17Å |
| 304 | C | 90.4 | Very high | 83.7 | Confident | 26 Ų | 26 | 89.3 Ų | 89.3 | 18% | 0.176 | 50% | 0.496 | C | S | . | . | | | trans | -80.2 | 99 | -178.3 | -164.1 | 0 | 0 | 0 | 0 | 112.7 | C296 N298 F299 R306 H314 | C296-C304 VanDerWaalsContact SG-SG 3.66Å; N298-C304 HydrophobicContact CB-CB 4Å; N298-C304 PolarHBondContact O-N 3.36Å; N298-C304 VanDerWaalsContact O-N 3.16Å; F299-C304 HydrophobicContact CB-CB 4.08Å; C304-R306 PolarHBondContact O-N 2.61Å; C304-H314 VanDerWaalsContact SG-CE1 3.54Å; C304-H314 PolarHBondContact SG-NE2 3.4Å |
| 305 | M | 84.1 | Confident | 83.4 | Confident | 191 Ų | 191 | 86.3 Ų | 86.3 | 94% | 0.941 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 1.8 | 173.5 | -53.7 | -169.5 | -54 | 0 | 0 | 114.3 | K303 | K303-M305 PolarHBondContact O-N 2.62Å; K303-M305 VanDerWaalsContact O-N 3.17Å |
| 306 | R | 81.4 | Confident | 81.9 | Confident | 118 Ų | 118 | 86.8 Ų | 86.8 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -13.7 | -178.5 | -59.1 | 178.6 | -177.9 | 162.9 | -2.1 | 113.6 | C304 A308 S309 C310 | C304-R306 PolarHBondContact O-N 2.61Å; R306-A308 PolarHBondContact O-N 2.94Å; R306-S309 PolarHBondContact O-N 3.28Å; R306-S309 PolarHBondContact O-OG 3.23Å; R306-C310 HydrophobicContact CB-CB 3.84Å |
| 307 | G | 73.5 | Confident | 79.8 | Confident | 40 Ų | 40 | 92.4 Ų | 92.4 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | 51.2 | -133.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S309 H314 | G307-S309 VanDerWaalsContact C-N 3.3Å; G307-S309 PolarHBondContact O-N 3.47Å; G307-H314 PolarHBondContact O-CE1 3.08Å; G307-H314 PolarHBondContact O-ND1 3.38Å |
| 308 | A | 75.3 | Confident | 77.5 | Confident | 114 Ų | 114 | 90.7 Ų | 90.7 | 94% | 0.942 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -72.1 | -13.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R306 C310 | R306-A308 PolarHBondContact O-N 2.94Å; A308-C310 VanDerWaalsContact C-N 3.26Å; A308-C310 PolarHBondContact O-N 3.1Å |
| 309 | S | 80.8 | Confident | 75.4 | Confident | 103 Ų | 103 | 92 Ų | 92 | 72% | 0.72 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -91.2 | 23.1 | 176.7 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | R306 G307 | R306-S309 PolarHBondContact O-N 3.28Å; R306-S309 PolarHBondContact O-OG 3.23Å; G307-S309 VanDerWaalsContact C-N 3.3Å; G307-S309 PolarHBondContact O-N 3.47Å |
| 310 | C | 87.3 | Confident | 72.8 | Confident | 21 Ų | 21 | 97.9 Ų | 97.9 | 14% | 0.142 | 59% | 0.587 | C | S | . | * | | | trans | -82 | 125 | 174.9 | -162.9 | 0 | 0 | 0 | 0 | 111.5 | R306 A308 F312 H314 | R306-C310 HydrophobicContact CB-CB 3.84Å; A308-C310 VanDerWaalsContact C-N 3.26Å; A308-C310 PolarHBondContact O-N 3.1Å; C310-F312 PolarHBondContact O-N 3.42Å; C310-F312 VanDerWaalsContact O-N 3.17Å; C310-H314 WeakPolarHBondContact CB-NE2 3.21Å; C310-H314 PolarHBondContact SG-NE2 2.97Å |
| 311 | I | 85.3 | Confident | 70.4 | Confident | 145 Ų | 145 | 97.7 Ų | 97.7 | 74% | 0.744 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -69.6 | -3.8 | 175.5 | 67.5 | 177.5 | 0 | 0 | 0 | 114.7 | | |
| 312 | F | 84.5 | Confident | 68.1 | Low | 76 Ų | 76 | 102.1 Ų | 102.1 | 33% | 0.333 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -116.7 | 145.7 | -177.9 | -68.5 | -79.1 | 0 | 0 | 0 | 109.4 | E294 C296 C310 H314 | E294-F312 HydrophobicContact CB-CD1 4.13Å; E294-F312 HydrophobicContact CB-CE1 4.48Å; E294-F312 WeakPolarHBondContact O-CB 3.41Å; C296-F312 HydrophobicContact CB-CB 3.6Å; C310-F312 PolarHBondContact O-N 3.42Å; C310-F312 VanDerWaalsContact O-N 3.17Å; F312-H314 PolarHBondContact O-CD2 3.45Å; F312-H314 PolarHBondContact O-N 3.28Å; F312-H314 VanDerWaalsContact O-N 3.17Å |
| 313 | A | 81.9 | Confident | 65.9 | Low | 33 Ų | 33 | 111 Ų | 111 | 27% | 0.273 | 62% | 0.615 | S | S | . | * | B | Isolated β-bridge | trans | -58.4 | 121.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P293 E294 C296 | P293-A313 HydrophobicContact CB-CB 4.22Å; E294-A313 PolarHBondContact O-N 2.74Å; C296-A313 PolarHBondContact N-O 2.84Å |
| 314 | H | 85.2 | Confident | 63.5 | Low | 45 Ų | 45 | 113.2 Ų | 113.2 | 21% | 0.208 | 62% | 0.62 | C | S | . | * | | | trans | -91.1 | 96.2 | 161.7 | -72.7 | -170 | 0 | 0 | 0 | 106.6 | C296 F299 C304 G307 C310 F312 N316 | C296-H314 VanDerWaalsContact CB-CD2 3.47Å; C296-H314 WeakPolarHBondContact CB-CD2 3.2Å; F299-H314 HydrophobicContact CD1-CB 4.15Å; F299-H314 HydrophobicContact CD2-CB 3.88Å; F299-H314 AromaticContact CD2-CD2 3.73Å; F299-H314 AromaticContact CD2-CE1 3.72Å; F299-H314 AromaticContact CD2-CG 3.41Å; F299-H314 VanDerWaalsContact CD2-CG 3.41Å; F299-H314 AromaticContact CD2-ND1 3.42Å; F299-H314 WeakPolarHBondContact CD2-ND1 3.23Å; F299-H314 AromaticContact CD2-NE2 3.9Å; F299-H314 HydrophobicContact CE1-CB 4.09Å; F299-H314 HydrophobicContact CE2-CB 3.82Å; F299-H314 AromaticContact CE2-CG 3.79Å; F299-H314 AromaticContact CE2-ND1 3.75Å; F299-H314 HydrophobicContact CG-CB 4.05Å; F299-H314 AromaticContact CG-CD2 3.64Å; F299-H314 AromaticContact CG-CG 3.69Å; F299-H314 HydrophobicContact CZ-CB 3.92Å; C304-H314 VanDerWaalsContact SG-CE1 3.54Å; C304-H314 PolarHBondContact SG-NE2 3.4Å; G307-H314 PolarHBondContact O-CE1 3.08Å; G307-H314 PolarHBondContact O-ND1 3.38Å; C310-H314 WeakPolarHBondContact CB-NE2 3.21Å; C310-H314 PolarHBondContact SG-NE2 2.97Å; F312-H314 PolarHBondContact O-CD2 3.45Å; F312-H314 PolarHBondContact O-N 3.28Å; F312-H314 VanDerWaalsContact O-N 3.17Å; H314-N316 PolarHBondContact O-N 2.8Å |
| 315 | S | 68.4 | Low | 61 | Low | 56 Ų | 56 | 118.5 Ų | 118.5 | 39% | 0.392 | 65% | 0.646 | S | S | . | * | | | trans | -69.6 | 96.1 | 178.7 | 52.5 | 0 | 0 | 0 | 0 | 109.6 | F299 S317 | F299-S315 WeakPolarHBondContact CE1-O 3.29Å; S315-S317 PolarHBondContact O-N 3.23Å |
| 316 | N | 52.1 | Low | 58.8 | Low | 133 Ų | 133 | 117.6 Ų | 117.6 | 71% | 0.711 | 64% | 0.64 | S | S | * | * | | | trans | -67.8 | 80.2 | 175.8 | -74.7 | -7.9 | 0 | 0 | 0 | 110.5 | H314 A318 | H314-N316 PolarHBondContact O-N 2.8Å; N316-A318 PolarHBondContact O-N 3.01Å |
| 317 | S | 45.9 | Very low | 57.2 | Low | 120 Ų | 120 | 118.1 Ų | 118.1 | 84% | 0.839 | 66% | 0.656 | S | S | * | * | | | trans | -74.3 | 54.5 | 173.5 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | S315 | S315-S317 PolarHBondContact O-N 3.23Š|
| 318 | A | 36.3 | Very low | 55.7 | Low | 92 Ų | 92 | 126 Ų | 126 | 76% | 0.76 | 67% | 0.673 | S | S | * | * | | | trans | -158.5 | 47.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | N316 | N316-A318 PolarHBondContact O-N 3.01Š|
| 319 | S | 43.3 | Very low | 53.5 | Low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | | | trans | -157.9 | 115.2 | 158.3 | 62.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 320 | H | 33.8 | Very low | 51.7 | Low | 198 Ų | 198 | 128.9 Ų | 128.9 | 92% | 0.917 | 67% | 0.666 | S | S | * | * | | | trans | 64.6 | 121.4 | 139.3 | -156.4 | -92.6 | 0 | 0 | 0 | 120.1 | | |
| 321 | G | 34.4 | Very low | 49.3 | Very low | 67 Ų | 67 | 131.2 Ų | 131.2 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | | | trans | 146.2 | 40.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 322 | R | 34.9 | Very low | 47 | Very low | 227 Ų | 227 | 133 Ų | 133 | 86% | 0.857 | 69% | 0.691 | S | S | * | * | | | trans | 49.9 | 91.4 | 150.9 | -168.2 | -174.9 | -171.9 | -108.5 | 8.5 | 118.9 | | |
| 323 | W | 37.5 | Very low | 44.8 | Very low | 260 Ų | 260 | 135.1 Ų | 135.1 | 99% | 0.985 | 71% | 0.706 | S | S | * | * | | | trans | -121.5 | 161.3 | 137 | -129.8 | 45.4 | 0 | 0 | 0 | 108.9 | | |
| 324 | R | 37.1 | Very low | 42.9 | Very low | 206 Ų | 206 | 143 Ų | 143 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | | | trans | -65.4 | 142.7 | -168.4 | -70.3 | -177 | -169.4 | -96 | 9.7 | 111.7 | | |
| 325 | D | 37.3 | Very low | 40.5 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | | 56.1 | 121.5 | 72.8 | -133.8 | -0.4 | 0 | 0 | 0 | 109.7 | | |
| 326 | E | 38.5 | Very low | 38.8 | Very low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | cis | -131.6 | 174.8 | 30.3 | -64.8 | 156.6 | 88.6 | 0 | 0 | 114.7 | | |
| 327 | T | 48.5 | Very low | 38.4 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 87.9 | 70.5 | 168 | -39.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 328 | R | 40.9 | Very low | 37.8 | Very low | 207 Ų | 207 | 153.8 Ų | 153.8 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | | | | 52.1 | 103.5 | 114.3 | -167.3 | -176.8 | -169.6 | 142.1 | 2.6 | 115.8 | | |
| 329 | E | 30.3 | Very low | 38.2 | Very low | 186 Ų | 186 | 155.2 Ų | 155.2 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | cis | 48.4 | 83 | 38.6 | -165.5 | 155.8 | -128.1 | 0 | 0 | 114 | A331 | E329-A331 HydrophobicContact CG-CB 4.23Š|
| 330 | S | 42.1 | Very low | 37.8 | Very low | 91 Ų | 91 | 153.8 Ų | 153.8 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | | | trans | -158.1 | 53.2 | 168.2 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 331 | A | 36.2 | Very low | 37.8 | Very low | 69 Ų | 69 | 155.4 Ų | 155.4 | 57% | 0.57 | 78% | 0.782 | S | S | * | * | | | | 65 | 107.6 | 74.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E329 | E329-A331 HydrophobicContact CG-CB 4.23Š|
| 332 | H | 38.4 | Very low | 37.8 | Very low | 184 Ų | 184 | 155.5 Ų | 155.5 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | | | trans | 40.3 | 106.1 | 156.5 | -57.8 | -81.9 | 0 | 0 | 0 | 119.4 | | |
| 333 | D | 37.3 | Very low | 38 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 64% | 0.642 | 78% | 0.782 | S | S | * | * | | | | -158.5 | 159.4 | 117.5 | -130.2 | -28.2 | 0 | 0 | 0 | 116.6 | | |
| 334 | R | 42.1 | Very low | 37.8 | Very low | 198 Ų | 198 | 152.2 Ų | 152.2 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | trans | 54.6 | 101.5 | 154.7 | -70.6 | 154.3 | -134.1 | -170.8 | 10.2 | 121.1 | | |
| 335 | F | 34.4 | Very low | 38.2 | Very low | 220 Ų | 220 | 146.2 Ų | 146.2 | 97% | 0.965 | 77% | 0.769 | S | S | * | * | | | | 11.1 | 120.2 | 120.8 | -71 | -103.1 | 0 | 0 | 0 | 118.4 | | |
| 336 | G | 32.7 | Very low | 38.5 | Very low | 71 Ų | 71 | 145.5 Ų | 145.5 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | | | trans | 179.3 | 131.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 337 | P | 43.5 | Very low | 38.7 | Very low | 129 Ų | 129 | 146 Ų | 146 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | -113.5 | 92.3 | -172.3 | 38.2 | -28.3 | 0 | 0 | 0 | 114.8 | | |
| 338 | D | 33.9 | Very low | 38.8 | Very low | 161 Ų | 161 | 147.5 Ų | 147.5 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | | | trans | -167.7 | 123.4 | 149.3 | -119.1 | -25.9 | 0 | 0 | 0 | 111.9 | | |
| 339 | S | 44.2 | Very low | 39.5 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | | | trans | -179.7 | 156.6 | 150.7 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 340 | S | 36.2 | Very low | 40.8 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 53% | 0.531 | 74% | 0.742 | S | S | . | * | | | trans | -138.1 | 153.4 | -176.7 | 61 | 0 | 0 | 0 | 0 | 112.6 | | |
| 341 | Y | 34 | Very low | 41.5 | Very low | 232 Ų | 232 | 142.5 Ų | 142.5 | 91% | 0.91 | 73% | 0.73 | S | S | * | * | | | trans | 68.6 | 158.4 | -179.5 | -49.3 | -81.4 | 0 | 0 | 0 | 115.6 | | |
| 342 | G | 33.6 | Very low | 43 | Very low | 70 Ų | 70 | 147.8 Ų | 147.8 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | | | trans | 115.2 | 48.3 | 172 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 343 | N | 39.3 | Very low | 45 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | | | trans | 176 | 74.3 | 141.6 | -92.7 | -24.7 | 0 | 0 | 0 | 111.3 | T345 | N343-T345 PolarHBondContact OD1-O 3.48Š|
| 344 | R | 34 | Very low | 47.3 | Very low | 261 Ų | 261 | 141.7 Ų | 141.7 | 99% | 0.985 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -105.6 | 9 | 164.9 | -133.1 | 178.8 | -167.2 | -175.9 | 4.3 | 112.9 | | |
| 345 | T | 44.7 | Very low | 49.6 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 49% | 0.491 | 68% | 0.683 | S | S | . | * | | | trans | -131.4 | 144 | 174.5 | -3 | 0 | 0 | 0 | 0 | 103.8 | N343 | N343-T345 PolarHBondContact OD1-O 3.48Š|
| 346 | E | 42.9 | Very low | 52.1 | Low | 122 Ų | 122 | 128.8 Ų | 128.8 | 57% | 0.57 | 67% | 0.668 | S | S | * | * | | | cis | -120.8 | 132.6 | 11.3 | -56.5 | -159.6 | 138.5 | 0 | 0 | 113.4 | R348 | E346-R348 VanDerWaalsContact C-N 3.28Å; E346-R348 HydrophobicContact CB-CB 4Å; E346-R348 HydrophobicContact CB-CG 4.12Å; E346-R348 HydrophobicContact CG-CG 4.31Å; E346-R348 WeakPolarHBondContact OE1-CD 3.3Å; E346-R348 IonicContact OE1-CZ 3.49Å; E346-R348 IonicContact OE1-NE 2.82Å; E346-R348 PolarHBondContact OE1-NE 3.03Å; E346-R348 IonicContact OE1-NH1 2.71Å; E346-R348 PolarHBondContact OE1-NH1 3.34Å |
| 347 | H | 44.2 | Very low | 54.8 | Low | 184 Ų | 184 | 130.4 Ų | 130.4 | 85% | 0.852 | 66% | 0.655 | S | S | * | * | | | trans | -98.5 | 26.5 | 153.4 | -120.5 | -85.7 | 0 | 0 | 0 | 110.5 | R349 | H347-R349 PolarHBondContact O-N 3.38Š|
| 348 | R | 50.3 | Low | 56.9 | Low | 159 Ų | 159 | 127 Ų | 127 | 60% | 0.6 | 63% | 0.626 | S | S | * | * | | | trans | -68.7 | 74.2 | 177.5 | -72.8 | -161.1 | 177.8 | 146 | -15.7 | 111 | E346 V350 | E346-R348 VanDerWaalsContact C-N 3.28Å; E346-R348 HydrophobicContact CB-CB 4Å; E346-R348 HydrophobicContact CB-CG 4.12Å; E346-R348 HydrophobicContact CG-CG 4.31Å; E346-R348 WeakPolarHBondContact OE1-CD 3.3Å; E346-R348 IonicContact OE1-CZ 3.49Å; E346-R348 IonicContact OE1-NE 2.82Å; E346-R348 PolarHBondContact OE1-NE 3.03Å; E346-R348 IonicContact OE1-NH1 2.71Å; E346-R348 PolarHBondContact OE1-NH1 3.34Å; R348-V350 PolarHBondContact O-N 2.89Å |
| 349 | R | 55.1 | Low | 59.4 | Low | 201 Ų | 201 | 123.6 Ų | 123.6 | 76% | 0.758 | 62% | 0.621 | S | S | * | * | | | trans | -67.4 | 114.4 | 149 | -65.9 | -174.5 | 177.4 | -150.6 | -6 | 105.9 | H347 N351 | H347-R349 PolarHBondContact O-N 3.38Å; R349-N351 PolarHBondContact O-N 3.24Å |
| 350 | V | 57.1 | Low | 61.2 | Low | 106 Ų | 106 | 122.4 Ų | 122.4 | 64% | 0.642 | 60% | 0.602 | S | S | * | * | | | trans | -70 | 84.2 | -175.3 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | R348 K352 | R348-V350 PolarHBondContact O-N 2.89Å; V350-K352 HydrophobicContact CG1-CG 4.46Å; V350-K352 PolarHBondContact O-N 2.98Å; V350-K352 VanDerWaalsContact O-N 3.11Å |
| 351 | N | 56.6 | Low | 63.6 | Low | 71 Ų | 71 | 122.2 Ų | 122.2 | 38% | 0.38 | 61% | 0.612 | S | S | . | * | | | trans | -66.1 | 105.1 | 166.8 | -67.1 | -27.6 | 0 | 0 | 0 | 106.9 | R349 N353 S370 | R349-N351 PolarHBondContact O-N 3.24Å; N351-N353 PolarHBondContact O-N 3.1Å; N351-S370 PolarHBondContact ND2-O 3.19Å |
| 352 | K | 69.1 | Low | 66.1 | Low | 181 Ų | 181 | 115.3 Ų | 115.3 | 79% | 0.787 | 60% | 0.597 | S | S | * | * | | | trans | -71.3 | 30.5 | -179 | -56.5 | -174.8 | -179.8 | -174.5 | 0 | 113.2 | V350 | V350-K352 HydrophobicContact CG1-CG 4.46Å; V350-K352 PolarHBondContact O-N 2.98Å; V350-K352 VanDerWaalsContact O-N 3.11Å |
| 353 | N | 80.7 | Confident | 68.8 | Low | 100 Ų | 100 | 113 Ų | 113 | 54% | 0.535 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -117.2 | 124.4 | -174.8 | -63.6 | 80.3 | 0 | 0 | 0 | 107.6 | N351 Y371 L372 | N351-N353 PolarHBondContact O-N 3.1Å; N353-Y371 HydrophobicContact CB-CD1 4.31Å; N353-L372 PolarHBondContact O-N 2.89Å; N353-L372 VanDerWaalsContact O-N 3.08Å |
| 354 | P | 85.5 | Confident | 71 | Confident | 76 Ų | 76 | 117.7 Ų | 117.7 | 49% | 0.494 | 58% | 0.575 | S | S | . | * | B | Isolated β-bridge | trans | -63.5 | 147.8 | 177.3 | 26 | -33.7 | 0 | 0 | 0 | 110.8 | K356 L372 | P354-K356 PolarHBondContact O-N 2.98Å; P354-L372 CarbonylContact C-O 3.54Å; P354-L372 WeakPolarHBondContact CA-O 3.36Å |
| 355 | C | 88.9 | Confident | 73.1 | Confident | 2 Ų | 2 | 110.7 Ų | 110.7 | 1% | 0.014 | 55% | 0.549 | C | S | . | . | | | trans | -72.2 | 108.4 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | F357 F358 A359 C369 L372 | C355-F357 PolarHBondContact O-N 3.37Å; C355-F358 HydrophobicContact CB-CB 3.67Å; C355-F358 WeakPolarHBondContact O-CA 3.45Å; C355-F358 WeakPolarHBondContact O-CB 3.34Å; C355-F358 PolarHBondContact O-N 3.19Å; C355-A359 PolarHBondContact O-N 3.34Å; C355-A359 VanDerWaalsContact O-N 3.12Å; C355-C369 PolarHBondContact SG-SG 3.44Å; C355-L372 WeakPolarHBondContact CB-O 3.11Å; C355-L372 PolarHBondContact N-O 3.34Å |
| 356 | K | 88.4 | Confident | 74.7 | Confident | 145 Ų | 145 | 108.6 Ų | 108.6 | 63% | 0.63 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -49.3 | -44.2 | 174.7 | 176.7 | 166.8 | 175.5 | 169.4 | 0 | 112 | P354 F358 A359 E360 | P354-K356 PolarHBondContact O-N 2.98Å; K356-F358 PolarHBondContact O-N 2.84Å; K356-A359 PolarHBondContact O-N 3.16Å; K356-E360 WeakPolarHBondContact CE-OE1 3.3Å; K356-E360 HydrophobicContact CG-CG 4.45Å; K356-E360 IonicContact NZ-OE1 3.43Å; K356-E360 WeakPolarHBondContact O-CB 3.25Å; K356-E360 VanDerWaalsContact O-CG 3.28Å; K356-E360 WeakPolarHBondContact O-CG 3.47Å; K356-E360 PolarHBondContact O-N 3.29Å |
| 357 | F | 89.1 | Confident | 76.3 | Confident | 105 Ų | 105 | 111.2 Ų | 111.2 | 46% | 0.461 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.3 | -17.1 | 177.2 | -57.8 | -79.5 | 0 | 0 | 0 | 114.5 | C355 G361 C362 C363 | C355-F357 PolarHBondContact O-N 3.37Å; F357-G361 CarbonylContact O-C 3.1Å; F357-G361 PolarHBondContact O-N 3.4Å; F357-C362 CarbonylContact O-C 3.53Å; F357-C362 WeakPolarHBondContact O-CA 3.22Å; F357-C362 PolarHBondContact O-N 3.22Å; F357-C363 HydrophobicContact CB-CB 4.12Å; F357-C363 WeakPolarHBondContact O-CB 3.33Å; F357-C363 PolarHBondContact O-N 3.02Å |
| 358 | F | 88.1 | Confident | 78 | Confident | 56 Ų | 56 | 108.6 Ų | 108.6 | 25% | 0.246 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -83.5 | -43.7 | 174 | -179.9 | -103.5 | 0 | 0 | 0 | 110.4 | C355 K356 E360 G361 C363 H373 E375 | C355-F358 HydrophobicContact CB-CB 3.67Å; C355-F358 WeakPolarHBondContact O-CA 3.45Å; C355-F358 WeakPolarHBondContact O-CB 3.34Å; C355-F358 PolarHBondContact O-N 3.19Å; K356-F358 PolarHBondContact O-N 2.84Å; F358-E360 PolarHBondContact O-N 3.29Å; F358-G361 PolarHBondContact O-N 2.99Å; F358-C363 HydrophobicContact CB-CB 4.13Å; F358-H373 HydrophobicContact CD1-CB 3.89Å; F358-H373 HydrophobicContact CD2-CB 3.94Å; F358-H373 AromaticContact CD2-CD2 3.89Å; F358-H373 AromaticContact CD2-CE1 3.63Å; F358-H373 AromaticContact CD2-CG 3.46Å; F358-H373 VanDerWaalsContact CD2-CG 3.46Å; F358-H373 AromaticContact CD2-ND1 3.29Å; F358-H373 VanDerWaalsContact CD2-ND1 3.29Å; F358-H373 WeakPolarHBondContact CD2-ND1 3.34Å; F358-H373 AromaticContact CD2-NE2 4Å; F358-H373 HydrophobicContact CE1-CB 3.83Å; F358-H373 HydrophobicContact CE2-CB 3.88Å; F358-H373 AromaticContact CE2-CG 3.82Å; F358-H373 AromaticContact CE2-ND1 3.57Å; F358-H373 HydrophobicContact CG-CB 3.94Å; F358-H373 AromaticContact CG-CD2 3.73Å; F358-H373 AromaticContact CG-CG 3.61Å; F358-H373 AromaticContact CG-ND1 3.92Å; F358-H373 HydrophobicContact CZ-CB 3.83Å; F358-E375 HydrophobicContact CE1-CB 4.49Å; F358-E375 HydrophobicContact CZ-CB 4.21Å; F358-E375 HydrophobicContact CZ-CG 4Å; F358-E375 WeakPolarHBondContact CZ-OE1 3.5Å |
| 359 | A | 85.4 | Confident | 79.7 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 75% | 0.752 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.2 | -29.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C355 K356 | C355-A359 PolarHBondContact O-N 3.34Å; C355-A359 VanDerWaalsContact O-N 3.12Å; K356-A359 PolarHBondContact O-N 3.16Å |
| 360 | E | 82.2 | Confident | 81.2 | Confident | 97 Ų | 97 | 96 Ų | 96 | 45% | 0.453 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 8.2 | 173.3 | -65.1 | 169.2 | 156.3 | 0 | 0 | 113.9 | K356 F358 C362 | K356-E360 WeakPolarHBondContact CE-OE1 3.3Å; K356-E360 HydrophobicContact CG-CG 4.45Å; K356-E360 IonicContact NZ-OE1 3.43Å; K356-E360 WeakPolarHBondContact O-CB 3.25Å; K356-E360 VanDerWaalsContact O-CG 3.28Å; K356-E360 WeakPolarHBondContact O-CG 3.47Å; K356-E360 PolarHBondContact O-N 3.29Å; F358-E360 PolarHBondContact O-N 3.29Å; E360-C362 PolarHBondContact O-N 3.17Å; E360-C362 PolarHBondContact O-SG 3.48Å |
| 361 | G | 85.6 | Confident | 82.5 | Confident | 72 Ų | 72 | 96.2 Ų | 96.2 | 74% | 0.742 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | -6.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | F357 F358 C363 | F357-G361 CarbonylContact O-C 3.1Å; F357-G361 PolarHBondContact O-N 3.4Å; F358-G361 PolarHBondContact O-N 2.99Å; G361-C363 PolarHBondContact O-N 3.35Å |
| 362 | C | 86.9 | Confident | 83.8 | Confident | 86 Ų | 86 | 96.5 Ų | 96.5 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | | | trans | -89.2 | 11.8 | -171.3 | -69.6 | 0 | 0 | 0 | 0 | 115.4 | F357 E360 R364 | F357-C362 CarbonylContact O-C 3.53Å; F357-C362 WeakPolarHBondContact O-CA 3.22Å; F357-C362 PolarHBondContact O-N 3.22Å; E360-C362 PolarHBondContact O-N 3.17Å; E360-C362 PolarHBondContact O-SG 3.48Å; C362-R364 PolarHBondContact O-N 2.86Å |
| 363 | C | 90.5 | Very high | 84.7 | Confident | 22 Ų | 22 | 90.5 Ų | 90.5 | 15% | 0.149 | 48% | 0.481 | C | S | . | . | | | trans | -77.7 | 82 | -168.8 | -164 | 0 | 0 | 0 | 0 | 114.4 | F357 F358 G361 R365 G366 H373 | F357-C363 HydrophobicContact CB-CB 4.12Å; F357-C363 WeakPolarHBondContact O-CB 3.33Å; F357-C363 PolarHBondContact O-N 3.02Å; F358-C363 HydrophobicContact CB-CB 4.13Å; G361-C363 PolarHBondContact O-N 3.35Å; C363-R365 PolarHBondContact O-N 3.32Å; C363-G366 PolarHBondContact O-N 2.99Å; C363-H373 PolarHBondContact SG-NE2 3.35Å |
| 364 | R | 85.8 | Confident | 84.2 | Confident | 254 Ų | 254 | 92.7 Ų | 92.7 | 96% | 0.958 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 11.1 | 172.8 | -60.2 | -178.3 | -177.9 | -106.6 | -1.1 | 116 | C362 | C362-R364 PolarHBondContact O-N 2.86Š|
| 365 | R | 78.2 | Confident | 83.1 | Confident | 114 Ų | 114 | 96.3 Ų | 96.3 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -18.1 | 178.5 | -74.2 | 179.6 | -75.5 | -147 | -7.6 | 114 | C363 N368 C369 | C363-R365 PolarHBondContact O-N 3.32Å; R365-N368 WeakPolarHBondContact O-CB 3.23Å; R365-N368 PolarHBondContact O-N 2.91Å; R365-N368 VanDerWaalsContact O-N 3.11Å; R365-C369 HydrophobicContact CB-CB 3.94Å |
| 366 | G | 79.1 | Confident | 81.1 | Confident | 36 Ų | 36 | 99.6 Ų | 99.6 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | 50.3 | -140.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C363 N368 C369 H373 | C363-G366 PolarHBondContact O-N 2.99Å; G366-N368 PolarHBondContact O-N 3.15Å; G366-N368 VanDerWaalsContact O-N 3.09Å; G366-C369 VanDerWaalsContact O-CB 3.29Å; G366-C369 WeakPolarHBondContact O-CB 3.47Å; G366-C369 PolarHBondContact O-N 2.88Å; G366-H373 PolarHBondContact O-CE1 3.48Å |
| 367 | E | 75.6 | Confident | 79.1 | Confident | 177 Ų | 177 | 98.8 Ų | 98.8 | 83% | 0.827 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -56.4 | -23.1 | 176.9 | -57.7 | 177.2 | 165.6 | 0 | 0 | 114.4 | C369 | E367-C369 PolarHBondContact O-N 2.79Š|
| 368 | N | 80.5 | Confident | 76.8 | Confident | 129 Ų | 129 | 102.4 Ų | 102.4 | 69% | 0.69 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -84.1 | 11.6 | 177.5 | -68.5 | -51.9 | 0 | 0 | 0 | 113 | R365 G366 | R365-N368 WeakPolarHBondContact O-CB 3.23Å; R365-N368 PolarHBondContact O-N 2.91Å; R365-N368 VanDerWaalsContact O-N 3.11Å; G366-N368 PolarHBondContact O-N 3.15Å; G366-N368 VanDerWaalsContact O-N 3.09Å |
| 369 | C | 86.1 | Confident | 74.6 | Confident | 19 Ų | 19 | 103.9 Ų | 103.9 | 13% | 0.128 | 57% | 0.57 | C | S | . | * | | | trans | -70.4 | 138.5 | 174.4 | -161 | 0 | 0 | 0 | 0 | 111.8 | C355 R365 G366 E367 Y371 H373 | C355-C369 PolarHBondContact SG-SG 3.44Å; R365-C369 HydrophobicContact CB-CB 3.94Å; G366-C369 VanDerWaalsContact O-CB 3.29Å; G366-C369 WeakPolarHBondContact O-CB 3.47Å; G366-C369 PolarHBondContact O-N 2.88Å; E367-C369 PolarHBondContact O-N 2.79Å; C369-Y371 PolarHBondContact O-N 3.21Å; C369-H373 WeakPolarHBondContact CB-NE2 3.18Å |
| 370 | S | 86.2 | Confident | 72.3 | Confident | 78 Ų | 78 | 109.3 Ų | 109.3 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -87.3 | 19.4 | 177.9 | -41.7 | 0 | 0 | 0 | 0 | 113.4 | N351 | N351-S370 PolarHBondContact ND2-O 3.19Š|
| 371 | Y | 83.6 | Confident | 70.3 | Confident | 110 Ų | 110 | 111.3 Ų | 111.3 | 43% | 0.431 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -140.9 | 148.6 | -178.4 | -65.7 | -87.9 | 0 | 0 | 0 | 107.6 | N353 C369 H373 | N353-Y371 HydrophobicContact CB-CD1 4.31Å; C369-Y371 PolarHBondContact O-N 3.21Å; Y371-H373 PolarHBondContact O-N 3.02Å |
| 372 | L | 83.8 | Confident | 67.9 | Low | 76 Ų | 76 | 111.5 Ų | 111.5 | 40% | 0.398 | 59% | 0.594 | S | S | . | * | B | Isolated β-bridge | trans | -63.9 | 136.1 | -175.4 | -71.5 | 171.3 | 0 | 0 | 0 | 111.6 | N353 P354 C355 | N353-L372 PolarHBondContact O-N 2.89Å; N353-L372 VanDerWaalsContact O-N 3.08Å; P354-L372 CarbonylContact C-O 3.54Å; P354-L372 WeakPolarHBondContact CA-O 3.36Å; C355-L372 WeakPolarHBondContact CB-O 3.11Å; C355-L372 PolarHBondContact N-O 3.34Å |
| 373 | H | 87.3 | Confident | 65.6 | Low | 56 Ų | 56 | 114.2 Ų | 114.2 | 26% | 0.259 | 61% | 0.608 | S | S | . | * | | | trans | -95.9 | 99.3 | 163.5 | -72.3 | -166 | 0 | 0 | 0 | 105.7 | F358 C363 G366 C369 Y371 E375 | F358-H373 HydrophobicContact CD1-CB 3.89Å; F358-H373 HydrophobicContact CD2-CB 3.94Å; F358-H373 AromaticContact CD2-CD2 3.89Å; F358-H373 AromaticContact CD2-CE1 3.63Å; F358-H373 AromaticContact CD2-CG 3.46Å; F358-H373 VanDerWaalsContact CD2-CG 3.46Å; F358-H373 AromaticContact CD2-ND1 3.29Å; F358-H373 VanDerWaalsContact CD2-ND1 3.29Å; F358-H373 WeakPolarHBondContact CD2-ND1 3.34Å; F358-H373 AromaticContact CD2-NE2 4Å; F358-H373 HydrophobicContact CE1-CB 3.83Å; F358-H373 HydrophobicContact CE2-CB 3.88Å; F358-H373 AromaticContact CE2-CG 3.82Å; F358-H373 AromaticContact CE2-ND1 3.57Å; F358-H373 HydrophobicContact CG-CB 3.94Å; F358-H373 AromaticContact CG-CD2 3.73Å; F358-H373 AromaticContact CG-CG 3.61Å; F358-H373 AromaticContact CG-ND1 3.92Å; F358-H373 HydrophobicContact CZ-CB 3.83Å; C363-H373 PolarHBondContact SG-NE2 3.35Å; G366-H373 PolarHBondContact O-CE1 3.48Å; C369-H373 WeakPolarHBondContact CB-NE2 3.18Å; Y371-H373 PolarHBondContact O-N 3.02Å; H373-E375 VanDerWaalsContact C-N 3.34Å; H373-E375 PolarHBondContact O-N 2.98Å |
| 374 | E | 72 | Confident | 63.1 | Low | 146 Ų | 146 | 118.8 Ų | 118.8 | 68% | 0.682 | 64% | 0.64 | S | S | * | * | | | trans | -89.7 | 81.7 | -178.6 | -165.7 | 155.5 | -146.2 | 0 | 0 | 107.8 | A376 | E374-A376 PolarHBondContact O-N 3.06Š|
| 375 | E | 61.5 | Low | 60.8 | Low | 151 Ų | 151 | 110.8 Ų | 110.8 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | | | trans | -76.3 | 107.3 | -176.5 | -147.5 | 142.8 | -130.7 | 0 | 0 | 108 | F358 H373 | F358-E375 HydrophobicContact CE1-CB 4.49Å; F358-E375 HydrophobicContact CZ-CB 4.21Å; F358-E375 HydrophobicContact CZ-CG 4Å; F358-E375 WeakPolarHBondContact CZ-OE1 3.5Å; H373-E375 VanDerWaalsContact C-N 3.34Å; H373-E375 PolarHBondContact O-N 2.98Å |
| 376 | A | 46.6 | Very low | 59.2 | Low | 71 Ų | 71 | 111.1 Ų | 111.1 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | | | trans | -58.2 | 124.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | E374 H378 | E374-A376 PolarHBondContact O-N 3.06Å; A376-H378 PolarHBondContact O-N 3.29Å; A376-H378 PolarHBondContact O-ND1 3.44Å; A376-H378 VanDerWaalsContact O-ND1 3.11Å |
| 377 | P | 47.6 | Very low | 57.2 | Low | 129 Ų | 129 | 116.7 Ų | 116.7 | 84% | 0.838 | 67% | 0.666 | S | S | * | * | | | trans | -64.9 | 106 | -171 | 25.2 | -34 | 0 | 0 | 0 | 109.6 | S379 | P377-S379 PolarHBondContact O-N 2.89Å; P377-S379 VanDerWaalsContact O-N 3.14Å |
| 378 | H | 40.7 | Very low | 55.5 | Low | 180 Ų | 180 | 117 Ų | 117 | 83% | 0.833 | 67% | 0.668 | S | S | * | * | | | trans | -62.5 | 118.8 | 175.1 | -83.6 | 51.8 | 0 | 0 | 0 | 108.4 | A376 Q380 | A376-H378 PolarHBondContact O-N 3.29Å; A376-H378 PolarHBondContact O-ND1 3.44Å; A376-H378 VanDerWaalsContact O-ND1 3.11Å; H378-Q380 PolarHBondContact O-N 2.96Å |
| 379 | S | 41.7 | Very low | 53.3 | Low | 88 Ų | 88 | 114.3 Ų | 114.3 | 62% | 0.615 | 66% | 0.663 | S | S | * | * | | | trans | -56.2 | 128.3 | -175.1 | 50.2 | 0 | 0 | 0 | 0 | 111 | P377 I381 | P377-S379 PolarHBondContact O-N 2.89Å; P377-S379 VanDerWaalsContact O-N 3.14Å; S379-I381 VanDerWaalsContact C-N 3.31Å; S379-I381 PolarHBondContact O-N 3.07Å |
| 380 | Q | 37.2 | Very low | 51.2 | Low | 204 Ų | 204 | 122 Ų | 122 | 95% | 0.953 | 70% | 0.702 | S | S | * | * | | | trans | -67.1 | 91.6 | 169.8 | -66 | -178.6 | 4.4 | 0 | 0 | 109.2 | H378 | H378-Q380 PolarHBondContact O-N 2.96Š|
| 381 | I | 39.9 | Very low | 48.9 | Very low | 140 Ų | 140 | 124.9 Ų | 124.9 | 72% | 0.718 | 71% | 0.712 | S | S | * | * | | | trans | -113.7 | 125.1 | 170.6 | -67.9 | 175.9 | 0 | 0 | 0 | 106 | S379 V383 | S379-I381 VanDerWaalsContact C-N 3.31Å; S379-I381 PolarHBondContact O-N 3.07Å; I381-V383 PolarHBondContact O-N 2.94Å |
| 382 | G | 35.9 | Very low | 46.7 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | trans | -67.1 | 129 | -160.7 | 0 | 0 | 0 | 0 | 0 | 114 | S384 | G382-S384 PolarHBondContact O-N 2.79Š|
| 383 | V | 36.9 | Very low | 44.6 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | | | trans | -83.5 | 101.4 | 165.5 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | I381 | I381-V383 PolarHBondContact O-N 2.94Š|
| 384 | S | 37.6 | Very low | 42.4 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -92.2 | 130.2 | 155.2 | -66.5 | 0 | 0 | 0 | 0 | 108 | G382 | G382-S384 PolarHBondContact O-N 2.79Š|
| 385 | A | 38.7 | Very low | 40.8 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | -70.2 | 165.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 386 | P | 43.7 | Very low | 39.7 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | | -132.5 | 173.4 | 79 | 39.6 | -29.9 | 0 | 0 | 0 | 115.4 | | |
| 387 | D | 37.9 | Very low | 39.3 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | -49.1 | 144.9 | 168.1 | -76.6 | -72.3 | 0 | 0 | 0 | 114.7 | | |
| 388 | E | 39.1 | Very low | 39 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | | -164.2 | 147.6 | 116.3 | -109.1 | -72.8 | 70.2 | 0 | 0 | 110.3 | | |
| 389 | A | 35.8 | Very low | 38.7 | Very low | 71 Ų | 71 | 139.6 Ų | 139.6 | 59% | 0.587 | 81% | 0.808 | S | S | * | * | | | trans | -115.3 | 123.9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 390 | L | 40.9 | Very low | 38.4 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | | | trans | -129.8 | 111.7 | 165.8 | -72.2 | 178 | 0 | 0 | 0 | 111.8 | | |
| 391 | N | 38.5 | Very low | 38.5 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | | | trans | -75.7 | 146 | 171.5 | -65.3 | -82.7 | 0 | 0 | 0 | 111 | | |
| 392 | Y | 37.5 | Very low | 38 | Very low | 242 Ų | 242 | 138.4 Ų | 138.4 | 95% | 0.949 | 81% | 0.806 | S | S | * | * | | | trans | -152.7 | 147.5 | 137.7 | -114.4 | -78 | 0 | 0 | 0 | 110.1 | | |
| 393 | S | 39.8 | Very low | 38.3 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | | | trans | -114.4 | 160.1 | -148.2 | -47.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 394 | D | 41 | Very low | 38.3 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | | | trans | 36.6 | 139.8 | 147.6 | -91.4 | -51.5 | 0 | 0 | 0 | 122.7 | | |
| 395 | G | 38.4 | Very low | 38 | Very low | 75 Ų | 75 | 146.3 Ų | 146.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -176.3 | 26.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 120 | A397 | G395-A397 PolarHBondContact O-N 2.91Å; G395-A397 VanDerWaalsContact O-N 3.16Å |
| 396 | H | 38.2 | Very low | 38.1 | Very low | 204 Ų | 204 | 144.8 Ų | 144.8 | 94% | 0.944 | 80% | 0.799 | S | S | * | * | | | trans | -78.2 | 94 | -178 | -100.1 | -50 | 0 | 0 | 0 | 114.4 | | |
| 397 | A | 38.7 | Very low | 38.1 | Very low | 92 Ų | 92 | 147 Ų | 147 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | trans | -156.1 | 108.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | G395 | G395-A397 PolarHBondContact O-N 2.91Å; G395-A397 VanDerWaalsContact O-N 3.16Å |
| 398 | A | 42 | Very low | 38.2 | Very low | 96 Ų | 96 | 148.6 Ų | 148.6 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | | | trans | 46.9 | 133.3 | 139 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 399 | R | 34.3 | Very low | 38.3 | Very low | 253 Ų | 253 | 146.9 Ų | 146.9 | 96% | 0.955 | 80% | 0.798 | S | S | * | * | | | trans | 71.2 | 93.1 | 157 | -66.5 | 175.8 | 169 | -112.7 | 2.1 | 118.2 | | |
| 400 | G | 34 | Very low | 38.4 | Very low | 72 Ų | 72 | 151.8 Ų | 151.8 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | | | trans | -156.5 | 138.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 401 | N | 39.4 | Very low | 38.5 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | | | trans | 17.9 | 115.8 | 157.7 | -70.7 | 0.9 | 0 | 0 | 0 | 120.6 | | |
| 402 | Y | 30.7 | Very low | 38.7 | Very low | 199 Ų | 199 | 147.9 Ų | 147.9 | 78% | 0.78 | 81% | 0.812 | S | S | * | * | | | trans | -43.5 | 156.6 | 132.5 | 32.6 | -96.8 | 0 | 0 | 0 | 112.3 | | |
| 403 | S | 41.3 | Very low | 38.7 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | 85.5 | 82.5 | -177 | -51.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 404 | N | 36.1 | Very low | 38.5 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 63% | 0.631 | 81% | 0.807 | S | S | * | * | | | | -130.5 | 101.7 | 123.5 | -166.8 | -36.1 | 0 | 0 | 0 | 108.8 | E407 | N404-E407 PolarHBondContact ND2-OE2 2.61Š|
| 405 | W | 31.8 | Very low | 38.4 | Very low | 265 Ų | 265 | 143.2 Ų | 143.2 | 100% | 1.004 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -159.3 | 78.4 | 164.4 | -108.3 | 89.7 | 0 | 0 | 0 | 105.3 | | |
| 406 | G | 42.4 | Very low | 38.3 | Very low | 54 Ų | 54 | 144.5 Ų | 144.5 | 56% | 0.557 | 80% | 0.804 | S | S | * | * | | | trans | 140.2 | 84.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 407 | E | 42 | Very low | 38.3 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | -116.1 | 56.7 | 162.8 | -74 | -180 | 113.6 | 0 | 0 | 110.3 | N404 | N404-E407 PolarHBondContact ND2-OE2 2.61Š|
| 408 | Q | 41.6 | Very low | 38.1 | Very low | 185 Ų | 185 | 144.9 Ų | 144.9 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -148.1 | 62.7 | 163.1 | -70.4 | -163.5 | 31.3 | 0 | 0 | 109.8 | | |
| 409 | N | 39.8 | Very low | 37.8 | Very low | 149 Ų | 149 | 148 Ų | 148 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -149.1 | 99.7 | 171 | -83.1 | -65.3 | 0 | 0 | 0 | 109.6 | | |
| 410 | N | 38.9 | Very low | 37.8 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | | | trans | -78.3 | 139.2 | 165.6 | -83.4 | -21.6 | 0 | 0 | 0 | 109.6 | | |
| 411 | A | 41.5 | Very low | 38 | Very low | 86 Ų | 86 | 146.8 Ų | 146.8 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | -93.7 | 150.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 412 | V | 43.1 | Very low | 38 | Very low | 152 Ų | 152 | 146 Ų | 146 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | | | trans | -121.5 | 113.7 | 151.2 | -177.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 413 | H | 38.5 | Very low | 38.4 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | | | trans | -112.4 | 115.6 | -177.7 | -131.7 | -79.8 | 0 | 0 | 0 | 110.4 | | |
| 414 | A | 35.2 | Very low | 38.3 | Very low | 86 Ų | 86 | 145.2 Ų | 145.2 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | trans | 13.1 | 104.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 415 | T | 39.6 | Very low | 38.3 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | | | trans | -108.7 | 157.2 | 133 | 46.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 416 | S | 34.9 | Very low | 38.5 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | trans | -104.2 | 166.6 | -167.5 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 417 | Q | 38.5 | Very low | 38.4 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | 88.7 | 144.5 | 159.8 | -48.2 | -177.4 | 35.2 | 0 | 0 | 118.3 | | |
| 418 | I | 35.4 | Very low | 38.1 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | trans | 70.7 | 103.1 | 150.4 | -67.8 | 155.3 | 0 | 0 | 0 | 117.8 | | |
| 419 | L | 34.7 | Very low | 37.8 | Very low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | | | trans | 55.5 | 159.7 | 136 | -54.7 | 179.8 | 0 | 0 | 0 | 119.7 | | |
| 420 | S | 34.5 | Very low | 37.8 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | | | cis | 175.9 | 162.1 | -26.7 | -175.1 | 0 | 0 | 0 | 0 | 105.6 | | |
| 421 | R | 37.9 | Very low | 37.6 | Very low | 205 Ų | 205 | 134.6 Ų | 134.6 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | | | trans | 76.8 | 129.6 | 169.9 | -42.4 | -154.2 | 74 | 134.8 | 8.9 | 113.9 | | |
| 422 | D | 39.8 | Very low | 37.5 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | | | | 71.8 | 134.9 | 82 | -45.1 | -18.7 | 0 | 0 | 0 | 109.8 | | |
| 423 | D | 39.5 | Very low | 37 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 65% | 0.647 | 74% | 0.738 | S | S | * | * | | | cis | -169.4 | 175.2 | 3.9 | -157.8 | -10.9 | 0 | 0 | 0 | 109.7 | | |
| 424 | R | 38.2 | Very low | 37.1 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | | | trans | 65.2 | 160 | 157.7 | -51 | -72.3 | 153.4 | 155.9 | -1.3 | 118.2 | | |
| 425 | E | 36.5 | Very low | 37 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 71% | 0.71 | 75% | 0.748 | S | S | * | * | | | cis | -157.6 | 157.1 | -22.6 | -116 | 157.5 | -178 | 0 | 0 | 109.9 | | |
| 426 | S | 36.7 | Very low | 36.9 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | trans | -110.9 | 162.3 | 164.2 | -55.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 427 | P | 39.9 | Very low | 37 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | | -166.4 | 173.1 | 90.7 | 44.9 | -23.9 | 0 | 0 | 0 | 120.1 | | |
| 428 | I | 35.8 | Very low | 36.9 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | | | trans | 73.5 | 113.3 | 133.2 | -78.7 | 167.5 | 0 | 0 | 0 | 124.1 | | |
| 429 | S | 35.9 | Very low | 36.9 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | | | | 53.5 | 129.1 | 126.9 | -47.2 | 0 | 0 | 0 | 0 | 125.4 | | |
| 430 | Q | 38.4 | Very low | 36.9 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | | | | -178.8 | 123.1 | 118.3 | -96.8 | 155.3 | 101.6 | 0 | 0 | 109 | | |
| 431 | S | 34.2 | Very low | 36.9 | Very low | 92 Ų | 92 | 149.3 Ų | 149.3 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | | | | 97.3 | 158.3 | 68 | 84.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 432 | I | 40.3 | Very low | 36.9 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | | | trans | 69 | 132.5 | -173.3 | -44.5 | 163.5 | 0 | 0 | 0 | 113.4 | | |
| 433 | G | 31.7 | Very low | 36.6 | Very low | 62 Ų | 62 | 147.1 Ų | 147.1 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | | | cis | 129.8 | 94.7 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 434 | R | 41.6 | Very low | 36.6 | Very low | 248 Ų | 248 | 148.6 Ų | 148.6 | 94% | 0.936 | 76% | 0.759 | S | S | * | * | | | trans | -165 | 135.5 | 161.5 | -107.3 | 155.1 | -159 | -171.7 | 4.1 | 111.5 | | |
| 435 | N | 32.4 | Very low | 36.6 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | trans | -81.7 | 154.1 | 156.7 | -53.5 | -46.9 | 0 | 0 | 0 | 107.8 | | |
| 436 | D | 38 | Very low | 36.8 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | | | | -165.9 | 168.2 | 121.1 | -107.9 | -39.5 | 0 | 0 | 0 | 111.7 | | |
| 437 | S | 37.5 | Very low | 37.1 | Very low | 110 Ų | 110 | 150 Ų | 150 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -111.2 | 177.4 | -173.7 | -62.1 | 0 | 0 | 0 | 0 | 113 | | |
| 438 | R | 36.1 | Very low | 37 | Very low | 220 Ų | 220 | 151.4 Ų | 151.4 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | trans | 98.8 | 156.7 | 139.1 | -150.5 | -162.2 | 164.7 | 138.9 | 2.3 | 117.8 | | |
| 439 | N | 35.6 | Very low | 37.2 | Very low | 114 Ų | 114 | 149 Ų | 149 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | | | trans | 79.4 | 84.8 | 167.5 | -56.7 | -26.4 | 0 | 0 | 0 | 116.6 | | |
| 440 | D | 33.4 | Very low | 37.4 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | | 20.6 | 140.6 | 113.7 | -52.6 | -99.5 | 0 | 0 | 0 | 119.5 | | |
| 441 | Y | 36 | Very low | 37.6 | Very low | 232 Ų | 232 | 148.6 Ų | 148.6 | 91% | 0.91 | 78% | 0.775 | S | S | * | * | | | trans | -131.5 | 129.6 | 158.7 | -110.6 | -94.4 | 0 | 0 | 0 | 110.6 | | |
| 442 | E | 37.2 | Very low | 37.9 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -70.5 | 140.3 | 177.8 | -74.9 | -169.3 | 68.7 | 0 | 0 | 111.7 | | |
| 443 | N | 33.3 | Very low | 37.8 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 65% | 0.647 | 77% | 0.771 | S | S | * | * | | | | 68.6 | 105 | 59 | 167.3 | 50.6 | 0 | 0 | 0 | 113.7 | | |
| 444 | Q | 39.2 | Very low | 38 | Very low | 152 Ų | 152 | 156.1 Ų | 156.1 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | | | trans | -165.1 | 168.3 | 146.4 | -134.2 | 95.1 | 106 | 0 | 0 | 113.3 | | |
| 445 | H | 39.1 | Very low | 38 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | 78.8 | 84.2 | 171.3 | -69.4 | -69.5 | 0 | 0 | 0 | 120.1 | | |
| 446 | S | 40.3 | Very low | 38 | Very low | 112 Ų | 112 | 152.6 Ų | 152.6 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -70.4 | 162.4 | 165.3 | -17.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 447 | K | 42.2 | Very low | 38 | Very low | 180 Ų | 180 | 152.8 Ų | 152.8 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | | -176.7 | 141.5 | 109.5 | -98.8 | 174.5 | -176.4 | -178 | 0 | 114.3 | | |
| 448 | D | 39 | Very low | 37.8 | Very low | 143 Ų | 143 | 154.5 Ų | 154.5 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | | | trans | 52.1 | 138.3 | 143 | -50.2 | -30.7 | 0 | 0 | 0 | 121.8 | | |
| 449 | A | 40.3 | Very low | 37.9 | Very low | 98 Ų | 98 | 150.3 Ų | 150.3 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | cis | -168 | 153.5 | -14.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 450 | G | 38.8 | Very low | 37.8 | Very low | 61 Ų | 61 | 152 Ų | 152 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | | | trans | 111.2 | 114 | 133.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 451 | K | 43.4 | Very low | 38.2 | Very low | 205 Ų | 205 | 151.8 Ų | 151.8 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | | | trans | 75.5 | 141.9 | 146.4 | -52.1 | 137.5 | -176.9 | 175.4 | 0 | 117.8 | | |
| 452 | S | 40.1 | Very low | 38.1 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | cis | -160.1 | 141.2 | -17.2 | 45.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 453 | Q | 37.9 | Very low | 38 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | | | trans | -68.3 | 144.6 | 172.7 | 158.9 | -167.4 | -9.7 | 0 | 0 | 112.8 | | |
| 454 | Y | 37.6 | Very low | 38.1 | Very low | 228 Ų | 228 | 146.6 Ų | 146.6 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | | | trans | -147.5 | 161.3 | 143.3 | -84.9 | -61.6 | 0 | 0 | 0 | 111.5 | | |
| 455 | Q | 40.3 | Very low | 38.2 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -110.7 | 168.8 | -167.8 | -75.3 | 167.9 | -37.6 | 0 | 0 | 113.1 | | |
| 456 | I | 33.3 | Very low | 38.1 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | trans | -80.2 | 144.6 | 179.7 | -60.7 | 155 | 0 | 0 | 0 | 110.4 | | |
| 457 | I | 38.3 | Very low | 38.1 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | -168.9 | 169.8 | 139 | -99.8 | 154.1 | 0 | 0 | 0 | 111.2 | | |
| 458 | H | 33.1 | Very low | 37.7 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 68% | 0.676 | 79% | 0.79 | S | S | * | * | | | trans | -77.2 | 157.9 | -151.9 | -98 | -142 | 0 | 0 | 0 | 120.5 | | |
| 459 | Q | 36.7 | Very low | 37.6 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 62% | 0.617 | 79% | 0.792 | S | S | * | * | | | trans | 69.7 | 142.3 | 137.4 | -70.8 | 178.1 | -90.6 | 0 | 0 | 123.5 | | |
| 460 | E | 33.4 | Very low | 37.6 | Very low | 149 Ų | 149 | 150 Ų | 150 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | | | trans | 34 | 139.6 | 139.9 | -66.7 | 129 | -132.1 | 0 | 0 | 120.4 | | |
| 461 | D | 42.9 | Very low | 37.5 | Very low | 145 Ų | 145 | 154.3 Ų | 154.3 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | | | cis | -152.6 | 179.3 | 24.4 | -141.4 | -30.9 | 0 | 0 | 0 | 113.9 | | |
| 462 | F | 33 | Very low | 37.3 | Very low | 204 Ų | 204 | 151.4 Ų | 151.4 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | | | trans | -80.2 | 126.8 | 178.8 | -74.7 | -102.4 | 0 | 0 | 0 | 113.2 | | |
| 463 | G | 35.1 | Very low | 37.3 | Very low | 76 Ų | 76 | 149.5 Ų | 149.5 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | | | trans | 177.5 | 122.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 464 | S | 35.4 | Very low | 37.2 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -132.8 | 166.8 | 164.1 | -71.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 465 | P | 41.5 | Very low | 37.2 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | cis | -129.7 | -164.3 | 4.2 | 42.7 | -26.6 | 0 | 0 | 0 | 112.9 | | |
| 466 | G | 37.8 | Very low | 37.2 | Very low | 67 Ų | 67 | 144.6 Ų | 144.6 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | 120.1 | 93.1 | 145 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 467 | Q | 39.5 | Very low | 37.3 | Very low | 201 Ų | 201 | 145.7 Ų | 145.7 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | | | trans | 25.2 | 118.8 | 145.2 | -57.6 | 178.3 | -83.3 | 0 | 0 | 119.8 | | |
| 468 | K | 33.7 | Very low | 37.3 | Very low | 216 Ų | 216 | 141.7 Ų | 141.7 | 94% | 0.939 | 76% | 0.757 | S | S | * | * | | | trans | -123.1 | 148.2 | 145.3 | -76.4 | -168.5 | 174.9 | -173.7 | 0 | 109.9 | | |
| 469 | K | 37.8 | Very low | 37.5 | Very low | 187 Ų | 187 | 142 Ų | 142 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | -132.7 | 126.9 | 174.7 | -169.9 | -159.3 | 175.6 | -166.7 | 0 | 109.4 | | |
| 470 | H | 39.2 | Very low | 37.1 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | | | trans | 66.5 | 145.6 | 160.8 | -97.5 | -134.5 | 0 | 0 | 0 | 120.4 | | |
| 471 | E | 37.7 | Very low | 37.2 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | | | trans | 52.8 | 141.1 | 141.1 | -69.8 | 159.6 | 159.7 | 0 | 0 | 121.2 | | |
| 472 | D | 39.9 | Very low | 36.9 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | cis | -160.5 | 171 | -30.4 | -140.2 | -41.3 | 0 | 0 | 0 | 109.9 | | |
| 473 | A | 38.3 | Very low | 37.3 | Very low | 66 Ų | 66 | 138.1 Ų | 138.1 | 55% | 0.545 | 77% | 0.765 | S | S | . | * | | | trans | 45.1 | 125.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 474 | I | 36.9 | Very low | 37.2 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 86% | 0.862 | 76% | 0.762 | S | S | * | * | | | trans | 72.5 | 141.7 | 139.5 | -64.7 | 168.5 | 0 | 0 | 0 | 116.6 | | |
| 475 | S | 37 | Very low | 37.2 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | | | cis | -169.3 | 162.6 | -20.9 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 476 | Q | 40.5 | Very low | 36.7 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | | | trans | 63.7 | 116.2 | 159 | -77.9 | 159.7 | 27.5 | 0 | 0 | 121.2 | | |
| 477 | Q | 34.7 | Very low | 36.5 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | | | trans | -53.6 | 178 | 146.4 | -105.9 | -166 | 2.9 | 0 | 0 | 113.5 | | |
| 478 | P | 39.4 | Very low | 36.3 | Very low | 87 Ų | 87 | 138 Ų | 138 | 57% | 0.565 | 74% | 0.738 | S | S | * | * | | | cis | -137.5 | -167.7 | -16.9 | 25.9 | -1.1 | 0 | 0 | 0 | 113.8 | | |
| 479 | Q | 36.8 | Very low | 36.6 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | 101 | 117.7 | 149.2 | -55 | -56 | -2.4 | 0 | 0 | 121.6 | | |
| 480 | L | 28.5 | Very low | 36.6 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | | | trans | 73.9 | 162.5 | 134.6 | -66 | 171.2 | 0 | 0 | 0 | 121.2 | | |
| 481 | L | 35.6 | Very low | 36.9 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 88% | 0.88 | 74% | 0.735 | S | S | * | * | | | trans | 79.8 | 108 | 169.5 | -64.8 | 158.3 | 0 | 0 | 0 | 117.9 | | |
| 482 | T | 36.5 | Very low | 37 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | trans | -77.1 | -173 | 152.5 | 63.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 483 | P | 42.3 | Very low | 37 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | | | cis | -140.7 | -173.5 | -0.7 | 41.1 | -21.3 | 0 | 0 | 0 | 115.9 | | |
| 484 | V | 31.8 | Very low | 37.5 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 71% | 0.709 | 73% | 0.732 | S | S | * | * | | | trans | 80.1 | 149.3 | 137.3 | 98.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 485 | Q | 35.3 | Very low | 37.9 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | trans | 72.1 | 153.7 | 161.8 | -70.6 | -177.2 | 94.3 | 0 | 0 | 119.1 | | |
| 486 | T | 31.3 | Very low | 38.1 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 61% | 0.613 | 73% | 0.726 | S | S | * | * | | | cis | -172.7 | 156.7 | -27.3 | -95.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 487 | T | 34.3 | Very low | 38.5 | Very low | 135 Ų | 135 | 130 Ų | 130 | 83% | 0.828 | 71% | 0.713 | S | S | * | * | | | trans | 62.5 | 166.5 | 167.4 | 45.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 488 | A | 35.8 | Very low | 38.9 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 63% | 0.628 | 71% | 0.708 | S | S | * | * | | | cis | -177.9 | -167.8 | -38.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 489 | L | 39.9 | Very low | 39.6 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | | | trans | 82.3 | 118.1 | 170.1 | -46.8 | 179.8 | 0 | 0 | 0 | 114.4 | | |
| 490 | S | 36.2 | Very low | 39.8 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | | | | 91.6 | 142.3 | 66.3 | -152.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 491 | M | 46 | Very low | 40.5 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 78% | 0.778 | 71% | 0.712 | S | S | * | * | | | cis | -153.5 | 155.3 | 39.8 | -66.7 | 167.6 | 64.9 | 0 | 0 | 114 | | |
| 492 | H | 40.7 | Very low | 40.8 | Very low | 156 Ų | 156 | 128 Ų | 128 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | | | trans | 33.4 | 148.6 | 142.8 | -68.4 | -84.3 | 0 | 0 | 0 | 122 | | |
| 493 | N | 38.8 | Very low | 40.8 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | | | cis | -161 | 173.2 | 14.3 | -130.6 | 17.4 | 0 | 0 | 0 | 108.8 | | |
| 494 | E | 48.5 | Very low | 40.4 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 60% | 0.598 | 71% | 0.711 | S | S | * | * | | | cis | -156.7 | -150 | -7.5 | -143.3 | -176.7 | 147.1 | 0 | 0 | 105.9 | | |
| 495 | K | 46.8 | Very low | 41.4 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | | | cis | -163.7 | 152.8 | 3.1 | -144.9 | 153.8 | 176.5 | 74.8 | 0 | 110.8 | | |
| 496 | V | 40.4 | Very low | 41.6 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | | | trans | 36 | 128.6 | 141.6 | 163.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 497 | S | 48.8 | Very low | 42.1 | Very low | 84 Ų | 84 | 125.7 Ų | 125.7 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | | | cis | -177.3 | 167.9 | 5.5 | -95.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 498 | E | 43.1 | Very low | 42.5 | Very low | 155 Ų | 155 | 127 Ų | 127 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | | | cis | -166 | 179 | -24.7 | -135.3 | 68.2 | 81.9 | 0 | 0 | 110.1 | | |
| 499 | M | 53.8 | Low | 42.7 | Very low | 165 Ų | 165 | 127 Ų | 127 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | | | trans | 76.4 | 117.6 | 167.2 | 100.1 | 104.9 | -179.4 | 0 | 0 | 117.1 | | |
| 500 | D | 40.9 | Very low | 42.6 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | | | | 93.2 | 141.1 | 58 | -105.1 | -62.2 | 0 | 0 | 0 | 113.2 | | |
| 501 | S | 42.9 | Very low | 42.7 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | cis | -148.9 | 141.8 | 7.9 | -66.5 | 0 | 0 | 0 | 0 | 115 | | |
| 502 | Q | 42.3 | Very low | 42.6 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 73% | 0.729 | 72% | 0.722 | S | S | * | * | | | trans | 52.8 | 146.1 | 134.3 | -54.9 | 178.1 | 14.5 | 0 | 0 | 126.4 | | |
| 503 | N | 38.1 | Very low | 42.4 | Very low | 154 Ų | 154 | 124 Ų | 124 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | | | trans | 107.5 | 149.7 | 147.8 | -62.5 | -50.5 | 0 | 0 | 0 | 121.9 | | |
| 504 | A | 33.8 | Very low | 42.4 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | | | trans | -148.5 | -158.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 505 | P | 51.9 | Low | 41.7 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | cis | -140.3 | -162.9 | -7.4 | 40 | -17.9 | 0 | 0 | 0 | 115.7 | | |
| 506 | S | 38.9 | Very low | 41.3 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | 82.1 | 154.6 | 160.6 | -51.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 507 | S | 42.4 | Very low | 41.2 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | | | cis | -160.8 | 151.1 | 3.9 | -134.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 508 | I | 42.3 | Very low | 40.6 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | trans | 57.3 | 136.6 | 151.3 | -57.9 | 155.8 | 0 | 0 | 0 | 118.4 | | |
| 509 | G | 40.3 | Very low | 40.2 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | cis | 117.7 | 133.9 | 6.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 510 | G | 38.2 | Very low | 39.5 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | cis | 174.6 | -161.3 | -1.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 511 | L | 37.9 | Very low | 39.4 | Very low | 180 Ų | 180 | 128.3 Ų | 128.3 | 94% | 0.942 | 79% | 0.789 | S | S | * | * | | | trans | 74 | 152 | 166.1 | -55.3 | -176.7 | 0 | 0 | 0 | 118.5 | | |
| 512 | S | 43 | Very low | 39.2 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | | | cis | -161.1 | 165.7 | -19 | -177.8 | 0 | 0 | 0 | 0 | 111 | | |
| 513 | M | 37.7 | Very low | 39.3 | Very low | 166 Ų | 166 | 131 Ų | 131 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -127.5 | 135.9 | 173.7 | -77.6 | -84.9 | 103.1 | 0 | 0 | 110.9 | | |
| 514 | Q | 39 | Very low | 39.3 | Very low | 196 Ų | 196 | 127 Ų | 127 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | trans | -168.9 | 161.1 | 148.7 | -115.7 | 152.7 | 106.8 | 0 | 0 | 115 | | |
| 515 | S | 34.3 | Very low | 39.5 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -97.6 | 150.6 | -177.2 | 54 | 0 | 0 | 0 | 0 | 113.3 | | |
| 516 | G | 37.1 | Very low | 39.1 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | -149.6 | 144.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 517 | V | 38.3 | Very low | 39 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | -121.8 | 143.8 | -176.7 | -71.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 518 | R | 36 | Very low | 38.5 | Very low | 246 Ų | 246 | 134.5 Ų | 134.5 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | | | | 176.9 | 159.4 | 127 | -98 | 162.4 | 179.9 | 177.7 | -0.2 | 114.8 | | |
| 519 | S | 35.5 | Very low | 38.4 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -90.2 | 165.7 | -167.6 | -22.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 520 | A | 39.3 | Very low | 38.2 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -150.4 | 147.9 | 145.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 521 | N | 37.2 | Very low | 38.1 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -107.3 | 165.4 | 177.4 | -70.6 | -22.5 | 0 | 0 | 0 | 111.1 | | |
| 522 | I | 40.6 | Very low | 37.9 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | | | trans | -173.7 | 113.3 | 144.8 | -97 | 146.5 | 0 | 0 | 0 | 105.5 | | |
| 523 | I | 43.6 | Very low | 37.6 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | | | | 67.3 | 129.2 | 82.8 | -64.2 | 162.8 | 0 | 0 | 0 | 110.4 | | |
| 524 | A | 37.6 | Very low | 37.6 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 58% | 0.579 | 76% | 0.755 | S | S | * | * | | | cis | -142.8 | 162 | 18.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 525 | E | 39.2 | Very low | 37.7 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | | | | 61.9 | 145.2 | 94.3 | -61.2 | -169.5 | 100 | 0 | 0 | 116.5 | | |
| 526 | Q | 43.2 | Very low | 37.8 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | cis | -148 | 154.9 | 2.5 | -112.6 | 158.5 | 42.4 | 0 | 0 | 107.7 | | |
| 527 | S | 36.6 | Very low | 38 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | | | | 52.7 | 143.5 | 90.8 | 120.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 528 | L | 31.8 | Very low | 38.1 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | | | cis | -165.7 | 171.9 | -5.9 | -156.3 | 79.7 | 0 | 0 | 0 | 108.6 | | |
| 529 | G | 40.2 | Very low | 38.3 | Very low | 57 Ų | 57 | 131.5 Ų | 131.5 | 59% | 0.588 | 72% | 0.721 | S | S | * | * | | | trans | 97.2 | 130.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 530 | Q | 36.5 | Very low | 38.4 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | | | cis | 62.9 | 139.6 | 22.7 | -32.7 | -173.4 | 8.6 | 0 | 0 | 112.7 | | |
| 531 | I | 35.5 | Very low | 38.4 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 67% | 0.667 | 72% | 0.722 | S | S | * | * | | | cis | -164 | 164 | 9.3 | -142.2 | 172 | 0 | 0 | 0 | 111.5 | | |
| 532 | L | 32.9 | Very low | 38.7 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 67% | 0.665 | 72% | 0.723 | S | S | * | * | | | trans | 63.5 | 163.9 | 164 | -90 | 47.1 | 0 | 0 | 0 | 117.3 | | |
| 533 | Q | 38.5 | Very low | 38.5 | Very low | 126 Ų | 126 | 132 Ų | 132 | 59% | 0.589 | 72% | 0.716 | S | S | * | * | | | cis | -168.1 | 147.6 | -38.6 | -119.6 | -177.5 | 41.9 | 0 | 0 | 109.3 | | |
| 534 | R | 36.8 | Very low | 38.6 | Very low | 196 Ų | 196 | 131 Ų | 131 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | | | trans | 67.5 | 160.1 | 154.6 | -62.8 | 176.7 | -173.1 | -122.4 | -2.3 | 115.6 | | |
| 535 | H | 41.8 | Very low | 38.8 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | | | cis | -147 | 156 | 1.8 | -135.1 | -157.7 | 0 | 0 | 0 | 109.6 | | |
| 536 | D | 34.7 | Very low | 38.7 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | | | trans | -53.5 | 160.5 | 157.8 | -66.7 | -88.7 | 0 | 0 | 0 | 112.1 | | |
| 537 | P | 42.3 | Very low | 38.5 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | | | cis | -150.4 | 171.9 | 34.7 | 43.6 | -22.9 | 0 | 0 | 0 | 119.9 | | |
| 538 | I | 40.6 | Very low | 38.8 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | | | | 12.6 | 125.1 | 127.2 | -46.1 | 173.5 | 0 | 0 | 0 | 113.9 | | |
| 539 | P | 39.9 | Very low | 39.1 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | | | | -161.3 | 171.8 | 73.1 | 45.7 | -25.4 | 0 | 0 | 0 | 122.3 | | |
| 540 | H | 37.7 | Very low | 39 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | | | trans | 72.7 | 136.3 | 147 | -75.7 | -54.7 | 0 | 0 | 0 | 123.4 | | |
| 541 | I | 39 | Very low | 39.2 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 82% | 0.821 | 73% | 0.73 | S | S | * | * | | | trans | -86 | 138.2 | 170.4 | -58.9 | 157.7 | 0 | 0 | 0 | 109.8 | | |
| 542 | P | 44.8 | Very low | 39.3 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | | | trans | -121.3 | 164.8 | 130.1 | 3.3 | 18.2 | 0 | 0 | 0 | 110 | | |
| 543 | G | 35.1 | Very low | 39.7 | Very low | 60 Ų | 60 | 134.4 Ų | 134.4 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | | | cis | 142.9 | 124.1 | 10.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 544 | P | 46.1 | Very low | 39.8 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | | | trans | -87.4 | 154 | -158.8 | 33.6 | -37.5 | 0 | 0 | 0 | 116 | | |
| 545 | Q | 41.2 | Very low | 39.8 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | | | trans | -154.6 | 146.2 | 173.6 | -74.3 | -168.2 | 75.6 | 0 | 0 | 108.9 | | |
| 546 | T | 38.5 | Very low | 39.6 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | | | cis | -156.6 | 151.3 | -12.2 | -79 | 0 | 0 | 0 | 0 | 110.3 | | |
| 547 | L | 37.7 | Very low | 39.7 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | | | trans | -35 | 179 | 163.2 | -66.6 | 173.5 | 0 | 0 | 0 | 118.8 | | |
| 548 | P | 42.7 | Very low | 39.2 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | | | cis | -138.8 | -154.3 | -15.3 | 26.5 | 0.2 | 0 | 0 | 0 | 114 | | |
| 549 | I | 38.6 | Very low | 39.1 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | | | trans | 80.9 | 139.5 | 152.7 | -72.4 | 162.4 | 0 | 0 | 0 | 116.7 | | |
| 550 | T | 38.5 | Very low | 38.7 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | cis | -175 | 154.2 | -21.2 | -140.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 551 | T | 39.5 | Very low | 38.8 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | | | cis | -168.5 | 140.3 | -21.5 | 18 | 0 | 0 | 0 | 0 | 111 | | |
| 552 | Q | 38.3 | Very low | 38.3 | Very low | 182 Ų | 182 | 129 Ų | 129 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | | | trans | 72.8 | 168.1 | 148.2 | -105.2 | -152.4 | 87.7 | 0 | 0 | 119.9 | | |
| 553 | P | 40.9 | Very low | 37.6 | Very low | 86 Ų | 86 | 130 Ų | 130 | 56% | 0.558 | 75% | 0.751 | S | S | * | * | | | | -140.1 | -173.2 | -118 | 45 | -25 | 0 | 0 | 0 | 115.5 | | |
| 554 | Q | 41.5 | Very low | 37.4 | Very low | 174 Ų | 174 | 131.6 Ų | 131.6 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | trans | 175.6 | 133.3 | 132.7 | -95.2 | 154.8 | 78.5 | 0 | 0 | 109.3 | | |
| 555 | N | 35.8 | Very low | 36.9 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | | 67.2 | 129.7 | 98.7 | -142.1 | 19.8 | 0 | 0 | 0 | 112.3 | | |
| 556 | V | 38.9 | Very low | 36.7 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 70% | 0.703 | 74% | 0.736 | S | S | * | * | | | cis | -150.7 | 151.2 | 32 | -148.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 557 | T | 36.1 | Very low | 36.7 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | | | trans | 30 | 124.4 | 150.9 | -60.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 558 | S | 32.8 | Very low | 36.6 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | | | trans | -88.3 | 153 | 157.2 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 559 | S | 37.3 | Very low | 36.3 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | | | trans | -156.9 | 137.7 | 166.1 | -77.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 560 | F | 31.9 | Very low | 36.3 | Very low | 203 Ų | 203 | 134.1 Ų | 134.1 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | | | trans | -76.4 | 177.2 | 162.5 | -58.3 | -88.5 | 0 | 0 | 0 | 109.4 | | |
| 561 | P | 38.5 | Very low | 35.9 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | | | cis | -138.4 | -163.1 | 8.2 | 43.5 | -24 | 0 | 0 | 0 | 114.8 | | |
| 562 | S | 29.7 | Very low | 35.9 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | -52.5 | 146 | 167.5 | -38.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 563 | N | 29.9 | Very low | 35.6 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | | | | 178.7 | 158.7 | 89.2 | -155.2 | -3.7 | 0 | 0 | 0 | 112.6 | | |
| 564 | S | 30.9 | Very low | 35.6 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | | | trans | 38.8 | 125.9 | 152.6 | 62.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 565 | H | 35.6 | Very low | 35.6 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | | | | 150.9 | 107.4 | 102.2 | -168.8 | -99.8 | 0 | 0 | 0 | 115.7 | | |
| 566 | V | 37 | Very low | 35.7 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 59% | 0.594 | 75% | 0.747 | S | S | * | * | | | trans | 37.8 | 113.7 | 141.4 | -172.5 | 0 | 0 | 0 | 0 | 121 | | |
| 567 | Q | 39.4 | Very low | 35.7 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | | -168.9 | 119.2 | 123.3 | -99 | 153 | 16 | 0 | 0 | 108.2 | | |
| 568 | Q | 34.9 | Very low | 35.9 | Very low | 161 Ų | 161 | 141 Ų | 141 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | | 50.3 | 106.6 | 91.1 | -68.6 | -171.6 | -4.8 | 0 | 0 | 114.9 | | |
| 569 | N | 37.1 | Very low | 36.3 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | | | | 175.4 | 138.2 | 117.1 | -87.3 | -37.2 | 0 | 0 | 0 | 115.3 | | |
| 570 | N | 38.6 | Very low | 36.4 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | | | trans | 48.2 | 123.9 | 148.3 | -62 | -29.8 | 0 | 0 | 0 | 125.5 | | |
| 571 | F | 28.6 | Very low | 36.8 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | | | trans | -34.8 | 161.2 | 142.5 | -66 | -75.1 | 0 | 0 | 0 | 115.8 | | |
| 572 | P | 39.7 | Very low | 36.8 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 72% | 0.723 | S | S | * | * | | | | -156.9 | 154.9 | 56.6 | 42.4 | -19.9 | 0 | 0 | 0 | 122.9 | | |
| 573 | I | 32.5 | Very low | 37.6 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | | | trans | 37.2 | 118.8 | 131.4 | -49.6 | 169.2 | 0 | 0 | 0 | 121.1 | | |
| 574 | H | 40.2 | Very low | 38.1 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 73% | 0.731 | 72% | 0.724 | S | S | * | * | | | | -161.3 | 119.5 | 129.7 | -123.7 | -130.6 | 0 | 0 | 0 | 110.9 | | |
| 575 | Q | 41.9 | Very low | 38.3 | Very low | 133 Ų | 133 | 147.5 Ų | 147.5 | 62% | 0.621 | 74% | 0.735 | S | S | * | * | | | | 76.2 | 117 | 105.8 | -74.1 | -149.3 | 40.4 | 0 | 0 | 116.7 | | |
| 576 | N | 37.9 | Very low | 38.4 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | | | | 93.5 | 144.7 | 82.3 | -144.6 | 5.1 | 0 | 0 | 0 | 109.6 | | |
| 577 | R | 39.5 | Very low | 38.3 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | | | cis | -172.1 | 143.6 | 30.1 | -173.5 | 165 | 161.5 | 165.3 | -1.8 | 114.2 | | |
| 578 | Q | 39.8 | Very low | 38.2 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 58% | 0.584 | 75% | 0.754 | S | S | * | * | | | trans | 60.5 | 163.8 | 155.5 | -75.7 | -179.1 | -66.6 | 0 | 0 | 120.9 | | |
| 579 | E | 41.1 | Very low | 38.2 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 56% | 0.561 | 76% | 0.758 | S | S | * | * | | | cis | -134.1 | 155.1 | 1.9 | -78.8 | -65 | 23.1 | 0 | 0 | 112.8 | | |
| 580 | Q | 40.4 | Very low | 38.2 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | trans | 33.1 | 135.3 | 138.7 | -57.7 | 164.4 | 44.8 | 0 | 0 | 120.9 | | |
| 581 | F | 38.9 | Very low | 38.2 | Very low | 199 Ų | 199 | 140.3 Ų | 140.3 | 87% | 0.873 | 76% | 0.76 | S | S | * | * | | | | -140.7 | 169.2 | 55.5 | -109.2 | -102.3 | 0 | 0 | 0 | 115 | | |
| 582 | V | 39.6 | Very low | 38.7 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | trans | -138 | 149.5 | -173.3 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 583 | V | 45.5 | Very low | 39.1 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | 174 | 148.7 | 140.1 | 145.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 584 | P | 41.5 | Very low | 39.3 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | trans | -118.4 | -173.9 | -153.7 | 42.7 | -31.3 | 0 | 0 | 0 | 116.5 | | |
| 585 | H | 34.2 | Very low | 39.6 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 91% | 0.907 | 76% | 0.755 | S | S | * | * | | | trans | -55.4 | 142.1 | 172.6 | -77 | -114.1 | 0 | 0 | 0 | 114.1 | | |
| 586 | A | 38.4 | Very low | 39.5 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 88% | 0.876 | 76% | 0.76 | S | S | * | * | | | trans | -149.3 | 156.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 587 | A | 33.9 | Very low | 39.6 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 88% | 0.884 | 76% | 0.761 | S | S | * | * | | | trans | -131.3 | 140.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 588 | A | 38.6 | Very low | 39.5 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -151.9 | 151.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 589 | N | 34.7 | Very low | 39.7 | Very low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | | | trans | -92.3 | -160.7 | 174.1 | -70.3 | -62.1 | 0 | 0 | 0 | 110.8 | | |
| 590 | I | 37.6 | Very low | 39.4 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | | | trans | 99.8 | 130.5 | 172.3 | -55.9 | 157.7 | 0 | 0 | 0 | 112.9 | | |
| 591 | S | 38.5 | Very low | 39.1 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | cis | -163.5 | 157.7 | -24 | -95.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 592 | T | 38.7 | Very low | 38.9 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | -84.3 | 157.2 | 170.3 | 53.7 | 0 | 0 | 0 | 0 | 112 | | |
| 593 | P | 48.7 | Very low | 38.6 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | | -135.6 | -176.7 | 97.9 | 15.2 | 7.3 | 0 | 0 | 0 | 112 | | |
| 594 | S | 36.6 | Very low | 37.9 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | | | cis | 169.1 | 175.3 | -29.2 | -170.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 595 | M | 45.5 | Very low | 37.5 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | trans | 82.4 | 131.3 | 179.7 | -54.3 | -63.5 | 99.1 | 0 | 0 | 116.1 | | |
| 596 | Q | 40.2 | Very low | 37.5 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 73% | 0.729 | 78% | 0.782 | S | S | * | * | | | cis | -159.7 | 154.6 | -18.2 | -149.2 | 171.4 | -6.4 | 0 | 0 | 110.3 | | |
| 597 | S | 39.4 | Very low | 37 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | | | trans | 32.5 | 145.1 | 151.3 | 55.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 598 | Q | 36.9 | Very low | 37.3 | Very low | 180 Ų | 180 | 131.7 Ų | 131.7 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | cis | 176.8 | 168.9 | -21 | -104 | -100.1 | -38.2 | 0 | 0 | 105.6 | | |
| 599 | P | 45.3 | Very low | 37.1 | Very low | 96 Ų | 96 | 136 Ų | 136 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | | | trans | -97.5 | 179.6 | -169 | 39.9 | -34.9 | 0 | 0 | 0 | 113.4 | | |
| 600 | I | 35.4 | Very low | 37.2 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 88% | 0.882 | 75% | 0.745 | S | S | * | * | | | trans | -177.2 | 153.2 | 133.7 | -95.1 | 152.5 | 0 | 0 | 0 | 109.3 | | |
| 601 | A | 33.5 | Very low | 37.4 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | | | trans | -112.6 | 147.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 602 | S | 33.7 | Very low | 37.1 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | | | trans | -179.9 | 146.2 | 151.6 | -90.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 603 | H | 33 | Very low | 37.2 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 78% | 0.778 | 72% | 0.724 | S | S | * | * | | | trans | 72.3 | 158.5 | 135.8 | -171.3 | -87.5 | 0 | 0 | 0 | 121.7 | | |
| 604 | M | 31.2 | Very low | 36.8 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | | | trans | -67.7 | 163.7 | -172.1 | -43.9 | 179.9 | -170.4 | 0 | 0 | 116.6 | | |
| 605 | G | 34.2 | Very low | 36.8 | Very low | 70 Ų | 70 | 132.8 Ų | 132.8 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | trans | 134.1 | 109.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 606 | H | 32.9 | Very low | 36.5 | Very low | 174 Ų | 174 | 130.4 Ų | 130.4 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | | | cis | 69.9 | 134.2 | 41.8 | -162.7 | 51 | 0 | 0 | 0 | 113.7 | | |
| 607 | I | 29.3 | Very low | 36.1 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | trans | 69.4 | 145 | 172.8 | -73.6 | 173 | 0 | 0 | 0 | 114.2 | | |
| 608 | Q | 40.1 | Very low | 36.1 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | cis | -158.2 | -178 | -18.6 | -106 | 175.5 | 61.3 | 0 | 0 | 105.8 | | |
| 609 | R | 33.7 | Very low | 36 | Very low | 190 Ų | 190 | 131.3 Ų | 131.3 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | | | cis | -162.1 | 169.3 | 9.7 | -138.8 | 179.3 | -156.4 | -125.6 | 2 | 111 | Y612 | R609-Y612 HydrophobicContact CG-CE1 3.93Š|
| 610 | G | 36 | Very low | 35.7 | Very low | 64 Ų | 64 | 132.1 Ų | 132.1 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | | | trans | 107.9 | 125.2 | 147 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 611 | G | 42.4 | Very low | 35.4 | Very low | 58 Ų | 58 | 130.7 Ų | 130.7 | 60% | 0.598 | 74% | 0.744 | S | S | * | * | | | cis | -155.6 | 132.6 | -8.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 612 | Y | 33 | Very low | 35.2 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | | | | 66.9 | 132.6 | 84.5 | 26.1 | -105 | 0 | 0 | 0 | 118.4 | R609 | R609-Y612 HydrophobicContact CG-CE1 3.93Š|
| 613 | G | 40.8 | Very low | 34.9 | Very low | 61 Ų | 61 | 132.1 Ų | 132.1 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | | | trans | 141 | 74.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 614 | I | 38.8 | Very low | 34.7 | Very low | 159 Ų | 159 | 129 Ų | 129 | 82% | 0.815 | 73% | 0.728 | S | S | * | * | | | | 67.5 | 120.8 | 93.5 | -58.1 | 164.1 | 0 | 0 | 0 | 109.6 | | |
| 615 | E | 37.9 | Very low | 34.7 | Very low | 179 Ų | 179 | 127.9 Ų | 127.9 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | | | | -149.3 | 160.6 | 50.9 | -162.8 | 164.4 | 90.4 | 0 | 0 | 114.6 | | |
| 616 | P | 39.7 | Very low | 34.5 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 62% | 0.623 | 72% | 0.72 | S | S | * | * | | | trans | -132.3 | 178.7 | -174.9 | 40.7 | -22.6 | 0 | 0 | 0 | 117 | | |
| 617 | Q | 31.9 | Very low | 34.4 | Very low | 187 Ų | 187 | 125.9 Ų | 125.9 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | | | trans | 76.3 | 120 | 161.2 | -50.3 | -176.8 | 30.5 | 0 | 0 | 120 | | |
| 618 | A | 38.1 | Very low | 34.7 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | | | | -168.8 | 136.6 | 122.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 619 | L | 35.6 | Very low | 34.4 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | | | trans | -100.4 | 149.8 | 159.7 | -64.6 | 168.8 | 0 | 0 | 0 | 107.1 | | |
| 620 | P | 39.1 | Very low | 34.5 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | | | | -123.5 | 162.8 | 72.6 | 5.9 | 18.3 | 0 | 0 | 0 | 112.3 | | |
| 621 | N | 28.5 | Very low | 34.4 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | cis | 74.5 | 149.1 | 44.2 | -159.3 | 10.7 | 0 | 0 | 0 | 113.6 | | |
| 622 | I | 28.7 | Very low | 33.9 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | trans | 71.7 | 143.1 | 175.4 | -50.1 | 168.6 | 0 | 0 | 0 | 114.3 | | |
| 623 | S | 27.5 | Very low | 33.9 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | | | cis | 179 | 161.3 | -30.7 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 624 | T | 29.2 | Very low | 33.4 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 63% | 0.632 | 74% | 0.744 | S | S | * | * | | | trans | 61.6 | 132.9 | 147.1 | 33.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 625 | H | 31.6 | Very low | 33.3 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | | | | 66.1 | 153.4 | 128.3 | 82.9 | -5.1 | 0 | 0 | 0 | 123 | | |
| 626 | N | 29.6 | Very low | 33.4 | Very low | 133 Ų | 133 | 130 Ų | 130 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | trans | 57.1 | 115.3 | 157.4 | -53.3 | -17.2 | 0 | 0 | 0 | 117 | | |
| 627 | G | 31.8 | Very low | 33.4 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | cis | 90.4 | 106.4 | 7.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 628 | H | 35.4 | Very low | 34.2 | Very low | 171 Ų | 171 | 127.4 Ų | 127.4 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | | | trans | -144.7 | 135.6 | 169.3 | -89.1 | -66.7 | 0 | 0 | 0 | 112.2 | F630 | H628-F630 HydrophobicContact CB-CE2 4.16Š|
| 629 | N | 32.9 | Very low | 34 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | | | trans | -93.8 | 134 | 172.4 | -63.2 | -62.4 | 0 | 0 | 0 | 110.9 | | |
| 630 | F | 35.9 | Very low | 34.1 | Very low | 183 Ų | 183 | 128 Ų | 128 | 80% | 0.803 | 73% | 0.729 | S | S | * | * | | | trans | -146.8 | 113.4 | 152.4 | -54.2 | -77.5 | 0 | 0 | 0 | 105 | H628 | H628-F630 HydrophobicContact CB-CE2 4.16Š|
| 631 | N | 33.4 | Very low | 34.3 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | | | cis | 67 | 152.7 | 25.7 | -155.4 | 19.5 | 0 | 0 | 0 | 114.8 | | |
| 632 | V | 33.4 | Very low | 34.6 | Very low | 132 Ų | 132 | 127 Ų | 127 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | | | trans | 72.4 | 97.2 | -160.7 | -169.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 633 | A | 31.5 | Very low | 35.1 | Very low | 76 Ų | 76 | 124 Ų | 124 | 63% | 0.628 | 73% | 0.726 | S | S | * | * | | | cis | 76.7 | 110.5 | 23 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 634 | S | 31.6 | Very low | 35.7 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | | | trans | -178.2 | 132.6 | 146.7 | -89.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 635 | Q | 36.1 | Very low | 36.3 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | | | trans | 60.7 | 122.1 | 131.5 | -59 | 171.2 | 79.3 | 0 | 0 | 118.5 | | |
| 636 | V | 39.5 | Very low | 36.7 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | | | cis | 65.1 | 130.9 | 29.3 | -168.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 637 | P | 39.9 | Very low | 37.4 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | | | cis | -133.6 | -176.6 | 30.9 | 20.1 | 7.4 | 0 | 0 | 0 | 117.5 | | |
| 638 | P | 48.9 | Very low | 37.6 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | trans | -108.9 | -179.9 | 177.5 | 42.1 | -35.2 | 0 | 0 | 0 | 114.7 | | |
| 639 | N | 34.4 | Very low | 37.8 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | | | trans | 172.4 | 139.4 | 143.6 | -98.7 | -91.3 | 0 | 0 | 0 | 108.8 | | |
| 640 | I | 36.6 | Very low | 38 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | | 82.8 | 139.1 | 58.1 | -87.6 | 170.7 | 0 | 0 | 0 | 113.6 | | |
| 641 | P | 43.5 | Very low | 38 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | | | cis | -148.6 | -172.1 | -20.9 | 45.5 | -26.2 | 0 | 0 | 0 | 117.3 | | |
| 642 | T | 35.6 | Very low | 38.2 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | | | trans | 34.1 | 133.7 | 137.3 | -58.3 | 0 | 0 | 0 | 0 | 124.3 | | |
| 643 | A | 39.1 | Very low | 38.4 | Very low | 85 Ų | 85 | 127.6 Ų | 127.6 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | | | trans | -168.1 | 143.9 | 132.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 644 | V | 39.3 | Very low | 38.7 | Very low | 119 Ų | 119 | 131 Ų | 131 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | | | trans | 41.8 | 136.6 | 134.1 | 178.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 645 | H | 42.7 | Very low | 39 | Very low | 173 Ų | 173 | 133.9 Ų | 133.9 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | | | cis | -179.6 | -169.9 | -15.1 | -93.1 | 165.7 | 0 | 0 | 0 | 107 | | |
| 646 | A | 39.5 | Very low | 39.5 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | | | | -173.7 | 153.1 | -57.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 647 | G | 44.5 | Very low | 39.4 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 177.6 | 138.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 648 | Q | 36.8 | Very low | 39.2 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | -142 | 159.6 | 178.9 | -64.4 | 178.8 | -52.1 | 0 | 0 | 110.6 | | |
| 649 | T | 38.7 | Very low | 39.1 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 93% | 0.933 | 78% | 0.775 | S | S | * | * | | | | -179.7 | 169.6 | 129.3 | 24.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 650 | Q | 36.3 | Very low | 39.3 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -157.8 | 147.9 | -162.1 | -177.3 | 174.5 | 9.1 | 0 | 0 | 111.8 | | |
| 651 | V | 37.7 | Very low | 39.4 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | | | trans | -148.9 | 176.4 | 172.3 | 103.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 652 | T | 36.1 | Very low | 39 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 60% | 0.595 | 78% | 0.781 | S | S | * | * | | | | -158.8 | 119.5 | -123.1 | -67.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 653 | I | 38.2 | Very low | 39.1 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | | | trans | 70.6 | 147.3 | 146.9 | -57.3 | 173.8 | 0 | 0 | 0 | 116 | | |
| 654 | D | 37.3 | Very low | 39.7 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | cis | -162.2 | 178 | 47.8 | -143.6 | -45.1 | 0 | 0 | 0 | 114.9 | | |
| 655 | M | 38.2 | Very low | 39.6 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 77% | 0.768 | 80% | 0.796 | S | S | * | * | | | trans | -163.9 | 119.5 | 177.2 | 169.8 | 57.6 | 77.3 | 0 | 0 | 117.5 | | |
| 656 | P | 47.5 | Very low | 39.2 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | | | trans | -141.7 | 170.3 | 163.6 | 38.1 | -21.3 | 0 | 0 | 0 | 116.6 | | |
| 657 | R | 37.4 | Very low | 39.1 | Very low | 218 Ų | 218 | 139 Ų | 139 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | | | cis | -176.5 | 159.9 | -39.2 | -114.3 | 176 | -176.2 | -74.2 | -8.1 | 113.8 | | |
| 658 | L | 36.2 | Very low | 39.1 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | 79.8 | 145.2 | 155.7 | -76.6 | 157.9 | 0 | 0 | 0 | 122.7 | | |
| 659 | G | 45.6 | Very low | 39.1 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | 161.1 | 147.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 660 | Q | 38.5 | Very low | 39.2 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -151.8 | 167.1 | -167.5 | -72.3 | -179.5 | -142.9 | 0 | 0 | 116.9 | | |
| 661 | D | 38.4 | Very low | 39.2 | Very low | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | | | trans | 101.2 | 113.4 | 141.3 | -91.1 | -72 | 0 | 0 | 0 | 125 | | |
| 662 | S | 36.8 | Very low | 39.2 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | | 64.1 | 127.1 | 126 | -66.7 | 0 | 0 | 0 | 0 | 127.3 | | |
| 663 | G | 37.3 | Very low | 39.3 | Very low | 79 Ų | 79 | 143 Ų | 143 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | | | trans | 122.8 | 122.9 | 134.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 664 | P | 50.2 | Low | 39.6 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | | | trans | -135 | 160.8 | 176 | 41.8 | -28.5 | 0 | 0 | 0 | 117.7 | | |
| 665 | Q | 37.3 | Very low | 39.9 | Very low | 201 Ų | 201 | 143 Ų | 143 | 94% | 0.939 | 78% | 0.776 | S | S | * | * | | | trans | 176.1 | 173.7 | 147.2 | -108.5 | -179.4 | 23.8 | 0 | 0 | 117.3 | | |
| 666 | S | 35.5 | Very low | 39.6 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | 101.4 | 153.3 | 161.7 | -150.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 667 | I | 38.1 | Very low | 39.6 | Very low | 146 Ų | 146 | 142 Ų | 142 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | -155 | 141.9 | -155.9 | -75.9 | 135.4 | 0 | 0 | 0 | 113.5 | | |
| 668 | H | 43.2 | Very low | 39.7 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | -158.8 | 135.3 | 153 | -108.2 | 52.7 | 0 | 0 | 0 | 109.1 | | |
| 669 | N | 37.6 | Very low | 39.6 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 78% | 0.778 | S | S | * | * | | | | 67.9 | 145.4 | 68.3 | -58.5 | -9 | 0 | 0 | 0 | 112.5 | | |
| 670 | M | 40.9 | Very low | 39.5 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | cis | -170.1 | 170 | 18.1 | 40.3 | -178.9 | 177.8 | 0 | 0 | 108.7 | | |
| 671 | E | 35.6 | Very low | 39.2 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | cis | -175 | -171.9 | -24.4 | -172.4 | 157 | 105.9 | 0 | 0 | 108.8 | | |
| 672 | M | 36.9 | Very low | 39.6 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | 81.9 | 163.4 | 166 | -55.3 | -63.2 | -179.8 | 0 | 0 | 120.7 | | |
| 673 | Q | 39.3 | Very low | 39.6 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | | -164.2 | 172.7 | -70.5 | -107.1 | -149.9 | 20 | 0 | 0 | 112 | | |
| 674 | P | 44.9 | Very low | 39.6 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | | | trans | -112.3 | -179.2 | -164.1 | 43.3 | -37.1 | 0 | 0 | 0 | 116.6 | | |
| 675 | M | 42 | Very low | 39 | Very low | 191 Ų | 191 | 148.1 Ų | 148.1 | 94% | 0.941 | 79% | 0.79 | S | S | * | * | | | trans | -161.6 | 176.5 | 158.2 | -109.9 | 164.9 | -158.5 | 0 | 0 | 114 | | |
| 676 | S | 31.7 | Very low | 39 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -134.2 | -134.1 | -164.9 | -59.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 677 | P | 48.6 | Very low | 39.1 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | | -122.4 | 179.1 | -116.5 | 39.4 | -21.9 | 0 | 0 | 0 | 116.5 | | |
| 678 | N | 39.6 | Very low | 39.2 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -152.9 | 169.2 | 162.8 | -154 | -0.4 | 0 | 0 | 0 | 113.7 | | |
| 679 | V | 34.7 | Very low | 38.8 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | | | trans | -136.8 | 152.3 | -164.1 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 680 | Q | 41.8 | Very low | 39.1 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -157.4 | 158.9 | 157.1 | -114.3 | 164.8 | 26.1 | 0 | 0 | 113.3 | | |
| 681 | S | 32.6 | Very low | 39 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | -159.9 | 142.1 | -169.4 | -47.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 682 | Q | 46.9 | Very low | 38.6 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | trans | -149.1 | 131.5 | 161.8 | -58.9 | -170.7 | 12.1 | 0 | 0 | 107.9 | | |
| 683 | S | 36.6 | Very low | 38.7 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | | 74.3 | 134.7 | 69 | -122.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 684 | L | 37.3 | Very low | 38.4 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | | | cis | -153.8 | 159.8 | 25.4 | -86.2 | 170.6 | 0 | 0 | 0 | 114.8 | | |
| 685 | Q | 37.6 | Very low | 37.8 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | 65.1 | 126.8 | 142.7 | -69.4 | 161.6 | 6.6 | 0 | 0 | 123.9 | | |
| 686 | G | 36.8 | Very low | 37.7 | Very low | 75 Ų | 75 | 129.9 Ų | 129.9 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | 163.6 | 136.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 687 | L | 39.3 | Very low | 37.9 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | | | trans | -139.7 | 172.1 | -168.5 | -72.5 | 176.7 | 0 | 0 | 0 | 111.8 | | |
| 688 | P | 39.4 | Very low | 37.2 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | cis | -141.4 | -171.1 | -41.1 | 41.1 | -24.2 | 0 | 0 | 0 | 114.4 | | |
| 689 | L | 35.4 | Very low | 37.2 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | 69.6 | 146.4 | 160.9 | -99.5 | 62.2 | 0 | 0 | 0 | 117.1 | | |
| 690 | V | 42.5 | Very low | 37.2 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | cis | -134.6 | 146.7 | 12.4 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 691 | P | 38.6 | Very low | 37.2 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | | | trans | -86.3 | 167.1 | -177.8 | 35.5 | -37.5 | 0 | 0 | 0 | 115.4 | | |
| 692 | A | 28.4 | Very low | 37.5 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -85.2 | 162.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 693 | S | 38.7 | Very low | 37 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | | | trans | -146.2 | 154.2 | 172.4 | -74.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 694 | S | 33.7 | Very low | 37.2 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -96.6 | 177.8 | -171 | 55.9 | 0 | 0 | 0 | 0 | 115 | | |
| 695 | S | 31.4 | Very low | 37.1 | Very low | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -61 | 148.1 | 178.7 | 53.1 | 0 | 0 | 0 | 0 | 116 | | |
| 696 | A | 39.7 | Very low | 37 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -153.7 | 170.6 | 160 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 697 | D | 36.6 | Very low | 36.9 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | trans | -82.3 | 149.1 | -153.4 | -63.8 | -92.2 | 0 | 0 | 0 | 120.9 | | |
| 698 | M | 33.9 | Very low | 36.9 | Very low | 178 Ų | 178 | 124.4 Ų | 124.4 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | 35.4 | 107.4 | 136.8 | -65.3 | -67 | -177.5 | 0 | 0 | 122.8 | | |
| 699 | A | 38.8 | Very low | 36.9 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | trans | -160.8 | 156.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 700 | G | 35 | Very low | 36.7 | Very low | 66 Ų | 66 | 126.5 Ų | 126.5 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | | | cis | 154.1 | 112.3 | -16.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 701 | V | 41.7 | Very low | 36.6 | Very low | 145 Ų | 145 | 126.9 Ų | 126.9 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | trans | 69 | 138 | 159.8 | -171.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 702 | P | 38.9 | Very low | 36.6 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | cis | -130.9 | -171.9 | -30.7 | 39.8 | -21.3 | 0 | 0 | 0 | 113.8 | | |
| 703 | V | 37.4 | Very low | 37.2 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -91.8 | 165.2 | 176 | -146.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 704 | P | 40.8 | Very low | 37.3 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | | -137.2 | 160 | 109.2 | 39.2 | -30 | 0 | 0 | 0 | 115.2 | | |
| 705 | H | 33.7 | Very low | 37.7 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | | | trans | -72.2 | 149.6 | 177.8 | -70.6 | -120 | 0 | 0 | 0 | 112.7 | | |
| 706 | N | 36.8 | Very low | 38 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | | | | -160.4 | 167.5 | 125.4 | -110.5 | -38.2 | 0 | 0 | 0 | 114.1 | | |
| 707 | A | 34.4 | Very low | 38.1 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 62% | 0.62 | 78% | 0.776 | S | S | * | * | | | trans | -74.3 | 144.9 | -160.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 708 | V | 38.3 | Very low | 38.1 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | | | trans | -121.3 | 131.7 | 145.7 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 709 | K | 40 | Very low | 38.3 | Very low | 182 Ų | 182 | 128.7 Ų | 128.7 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | -107.6 | 129.4 | -175.9 | -62.5 | 173.9 | -177.4 | 172.6 | 0 | 110.4 | E711 | K709-E711 PolarHBondContact O-N 3.47Š|
| 710 | S | 32.4 | Very low | 38.1 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 38.2 | 77.8 | 142.3 | -177.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 711 | E | 40 | Very low | 38.4 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | | | trans | -149.3 | 9.7 | 165.2 | -133.8 | -170.2 | 98.1 | 0 | 0 | 119 | K709 R715 | K709-E711 PolarHBondContact O-N 3.47Å; E711-R715 PolarHBondContact O-NE 2.9Å; E711-R715 VanDerWaalsContact O-NE 3.11Å; E711-R715 PolarHBondContact O-NH2 2.86Å; E711-R715 IonicContact OE1-CZ 3.5Å; E711-R715 IonicContact OE1-NH2 3.34Å; E711-R715 PolarHBondContact OE1-NH2 3.31Å |
| 712 | E | 38.9 | Very low | 38.3 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -113.5 | -11.3 | -175.6 | -63.9 | -166.2 | 116.9 | 0 | 0 | 115.7 | S714 | E712-S714 VanDerWaalsContact C-N 3.32Å; E712-S714 PolarHBondContact O-N 2.97Å |
| 713 | V | 39.4 | Very low | 38.3 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -11.1 | 179.3 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 714 | S | 41.5 | Very low | 38.3 | Very low | 90 Ų | 90 | 143.1 Ų | 143.1 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -11.9 | -175 | -53.9 | 0 | 0 | 0 | 0 | 115.3 | E712 V716 | E712-S714 VanDerWaalsContact C-N 3.32Å; E712-S714 PolarHBondContact O-N 2.97Å; S714-V716 PolarHBondContact O-N 3.04Å |
| 715 | R | 42.1 | Very low | 38.1 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -2.9 | -166.6 | -56.4 | -175.7 | -156.8 | -117.1 | -9 | 115.2 | E711 | E711-R715 PolarHBondContact O-NE 2.9Å; E711-R715 VanDerWaalsContact O-NE 3.11Å; E711-R715 PolarHBondContact O-NH2 2.86Å; E711-R715 IonicContact OE1-CZ 3.5Å; E711-R715 IonicContact OE1-NH2 3.34Å; E711-R715 PolarHBondContact OE1-NH2 3.31Å |
| 716 | V | 37.9 | Very low | 38.3 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | -6.3 | 177.7 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | S714 | S714-V716 PolarHBondContact O-N 3.04Š|
| 717 | T | 41.5 | Very low | 38.3 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -9.9 | -175.9 | -37.1 | 0 | 0 | 0 | 0 | 113.6 | S719 | T717-S719 PolarHBondContact O-N 3.31Š|
| 718 | A | 35.9 | Very low | 38.6 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -78.9 | -8.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L720 | A718-L720 PolarHBondContact O-N 2.9Š|
| 719 | S | 38.6 | Very low | 38.2 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 24.4 | -164.9 | -166 | 0 | 0 | 0 | 0 | 115.9 | T717 | T717-S719 PolarHBondContact O-N 3.31Š|
| 720 | L | 35.9 | Very low | 38.2 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | 3.6 | -178.1 | -164.8 | 53.9 | 0 | 0 | 0 | 114.8 | A718 Q722 | A718-L720 PolarHBondContact O-N 2.9Å; L720-Q722 VanDerWaalsContact C-N 3.34Å; L720-Q722 PolarHBondContact O-N 3.33Å |
| 721 | A | 39.3 | Very low | 38.3 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | trans | -89.9 | 20.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 722 | Q | 39.6 | Very low | 38.3 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | trans | -103.5 | 15.3 | -173.2 | -73.4 | -172 | -24.8 | 0 | 0 | 115.1 | L720 | L720-Q722 VanDerWaalsContact C-N 3.34Å; L720-Q722 PolarHBondContact O-N 3.33Å |
| 723 | Y | 39.5 | Very low | 38.1 | Very low | 201 Ų | 201 | 132.5 Ų | 132.5 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -120.5 | 149.6 | 165.1 | -82.1 | -100 | 0 | 0 | 0 | 109.3 | | |
| 724 | F | 38.3 | Very low | 38 | Very low | 215 Ų | 215 | 132.8 Ų | 132.8 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | | | trans | 74.3 | 79.5 | -172.5 | -45.3 | -67.9 | 0 | 0 | 0 | 115.4 | | |
| 725 | G | 37.1 | Very low | 37.6 | Very low | 65 Ų | 65 | 131.6 Ų | 131.6 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | | | trans | -123.8 | 160.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 726 | N | 37.9 | Very low | 37.3 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | | | trans | 70.9 | 132.5 | 177.2 | -53.7 | -9.8 | 0 | 0 | 0 | 114.3 | | |
| 727 | T | 36.4 | Very low | 37.1 | Very low | 136 Ų | 136 | 134 Ų | 134 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | | | cis | -149.8 | 173.5 | -1.3 | 41.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 728 | A | 39.7 | Very low | 36.7 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | | | cis | -163.2 | 151.5 | -35.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 729 | F | 31.2 | Very low | 37 | Very low | 223 Ų | 223 | 135.7 Ų | 135.7 | 98% | 0.978 | 83% | 0.825 | S | S | * | * | | | trans | -104.2 | 150.3 | 178.2 | -90.2 | -93.6 | 0 | 0 | 0 | 112.1 | | |
| 730 | G | 39.3 | Very low | 36.9 | Very low | 77 Ų | 77 | 138.5 Ų | 138.5 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | | | trans | -136.9 | 137.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 731 | A | 34.6 | Very low | 37.2 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | | | trans | -121.2 | 153.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 732 | G | 39.2 | Very low | 37.3 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | trans | -161.2 | 147.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 733 | T | 34.5 | Very low | 37.1 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | | | trans | -134.3 | 170.8 | -157.9 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 734 | V | 38.3 | Very low | 37.1 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | | | trans | 76.5 | 143.7 | 170.1 | -166.6 | 0 | 0 | 0 | 0 | 115 | | |
| 735 | G | 34 | Very low | 36.9 | Very low | 65 Ų | 65 | 127.5 Ų | 127.5 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | | | trans | 179.9 | -25.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 736 | L | 35 | Very low | 37 | Very low | 175 Ų | 175 | 130.4 Ų | 130.4 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | 57.7 | 150.9 | 172.6 | -69.3 | 172.8 | 0 | 0 | 0 | 121.7 | | |
| 737 | Q | 32.6 | Very low | 36.8 | Very low | 179 Ų | 179 | 130 Ų | 130 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | | | trans | 75.7 | 129 | 156.8 | -136 | -154 | 67.1 | 0 | 0 | 120.7 | | |
| 738 | P | 34.7 | Very low | 37 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | -110.2 | 148.8 | 173.5 | 38.6 | -30.9 | 0 | 0 | 0 | 114.3 | | |
| 739 | S | 40.5 | Very low | 36.7 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | -141.8 | 127.7 | 163.3 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 740 | Q | 36.6 | Very low | 37.1 | Very low | 179 Ų | 179 | 128.1 Ų | 128.1 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | -106.4 | 177.6 | 162.2 | -75.3 | -80.2 | -24.7 | 0 | 0 | 106.7 | | |
| 741 | P | 44.1 | Very low | 37.2 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 63% | 0.63 | 80% | 0.801 | S | S | * | * | | | cis | -130.1 | 178.3 | -0.8 | 41.8 | -27.5 | 0 | 0 | 0 | 113.9 | M743 | P741-M743 HydrophobicContact CB-SD 4.47Å; P741-M743 HydrophobicContact CG-SD 4.44Å |
| 742 | N | 40.4 | Very low | 37.5 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | | | | -151.9 | 154.5 | 126 | -154.7 | -1.8 | 0 | 0 | 0 | 111.1 | | |
| 743 | M | 35.6 | Very low | 37.6 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 64% | 0.64 | 80% | 0.798 | S | S | * | * | | | trans | -111.8 | 148.6 | -175 | 33.6 | -84.1 | 162.6 | 0 | 0 | 110.6 | P741 | P741-M743 HydrophobicContact CB-SD 4.47Å; P741-M743 HydrophobicContact CG-SD 4.44Å |
| 744 | N | 40 | Very low | 38 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | | | trans | -172.9 | 157 | 131.8 | -92.5 | -33.7 | 0 | 0 | 0 | 110.3 | | |
| 745 | A | 34 | Very low | 38.6 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -119.1 | 149.8 | -167 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 746 | S | 37.9 | Very low | 39.3 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | | -166.5 | 152.2 | 129.5 | -88.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 747 | L | 33.9 | Very low | 39.2 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | trans | -55.3 | 142.1 | 174.3 | -58.1 | 154.2 | 0 | 0 | 0 | 112.5 | | |
| 748 | M | 41.5 | Very low | 39.6 | Very low | 180 Ų | 180 | 128 Ų | 128 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | | -162.4 | 161.4 | 122.7 | -88.4 | -38.5 | 146.6 | 0 | 0 | 110.8 | | |
| 749 | A | 33.5 | Very low | 39.8 | Very low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | trans | -82 | 155.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 750 | T | 39.8 | Very low | 39.5 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | | | trans | -131.5 | 148.3 | 171.3 | 45.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 751 | P | 41.5 | Very low | 39.7 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | | | trans | -81.6 | 169.6 | -172 | 33.4 | -36.9 | 0 | 0 | 0 | 113.7 | V753 | P751-V753 PolarHBondContact O-N 3.41Š|
| 752 | P | 38.9 | Very low | 39.3 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | -66.2 | 125.9 | -173.2 | 25.5 | -35.7 | 0 | 0 | 0 | 113.7 | V754 | P752-V754 PolarHBondContact O-N 3.14Š|
| 753 | V | 41.7 | Very low | 39.1 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | | | trans | -70.8 | 114.5 | 177 | 175.6 | 0 | 0 | 0 | 0 | 111 | P751 | P751-V753 PolarHBondContact O-N 3.41Š|
| 754 | V | 43.3 | Very low | 39.2 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 124.6 | 169.1 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | P752 | P752-V754 PolarHBondContact O-N 3.14Š|
| 755 | P | 52.1 | Low | 39.3 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 53% | 0.526 | 76% | 0.756 | S | S | . | * | P | Polyproline II helix | trans | -72.3 | 144.8 | 175.4 | 29.9 | -34.2 | 0 | 0 | 0 | 111.2 | | |
| 756 | P | 46.8 | Very low | 39.5 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 155.3 | -170.5 | 27.5 | -35.9 | 0 | 0 | 0 | 113.8 | V758 | P756-V758 PolarHBondContact O-N 2.91Š|
| 757 | P | 34.6 | Very low | 39.6 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -72.1 | 111.2 | 177.3 | 29.7 | -33.8 | 0 | 0 | 0 | 111.1 | Q759 | P757-Q759 PolarHBondContact O-N 3.44Š|
| 758 | V | 41 | Very low | 39.9 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | | | trans | -76.3 | 110.6 | 172.4 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | P756 | P756-V758 PolarHBondContact O-N 2.91Š|
| 759 | Q | 37.3 | Very low | 39.8 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | | | trans | -54.8 | 136.6 | 174 | -75 | -77.9 | 9.9 | 0 | 0 | 111.6 | P757 N761 | P757-Q759 PolarHBondContact O-N 3.44Å; Q759-N761 PolarHBondContact O-N 3.35Å |
| 760 | P | 35.3 | Very low | 39.9 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | | | trans | -85.5 | 103.6 | 178.5 | 32.8 | -31.8 | 0 | 0 | 0 | 111.6 | P762 | P760-P762 WeakPolarHBondContact O-CD 3.24Š|
| 761 | N | 39.8 | Very low | 39.6 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | | | trans | -64.6 | 123.5 | 166.5 | -81.3 | 12.4 | 0 | 0 | 0 | 110 | Q759 W763 | Q759-N761 PolarHBondContact O-N 3.35Å; N761-W763 VanDerWaalsContact O-CD1 3.25Å |
| 762 | P | 35.6 | Very low | 39.3 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | | | trans | -72.3 | 131.9 | 174.4 | 29.5 | -33.4 | 0 | 0 | 0 | 110.5 | P760 | P760-P762 WeakPolarHBondContact O-CD 3.24Š|
| 763 | W | 37.2 | Very low | 39.3 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | | | trans | -104.5 | 124.3 | 177.1 | -73.7 | 79 | 0 | 0 | 0 | 110.4 | N761 W765 | N761-W763 VanDerWaalsContact O-CD1 3.25Å; W763-W765 VanDerWaalsContact C-N 3.32Å; W763-W765 PolarHBondContact O-N 3.18Å |
| 764 | P | 37.1 | Very low | 39.3 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | | | trans | -79.8 | 71.6 | -171.7 | 32.6 | -36.8 | 0 | 0 | 0 | 113 | A766 | P764-A766 PolarHBondContact O-N 2.61Š|
| 765 | W | 42 | Very low | 39 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 53% | 0.534 | 75% | 0.753 | S | S | . | * | G | 310 helix | trans | -66.2 | -22.6 | 173.5 | 156.6 | -93.3 | 0 | 0 | 0 | 113.7 | W763 Q767 N929 K936 | W763-W765 VanDerWaalsContact C-N 3.32Å; W763-W765 PolarHBondContact O-N 3.18Å; W765-Q767 PolarHBondContact O-N 3.31Å; W765-N929 HydrophobicContact CG-CB 4.48Å; W765-N929 VanDerWaalsContact NE1-CB 3.31Å; W765-K936 HydrophobicContact CH2-CD 4.44Å |
| 766 | A | 39.2 | Very low | 38.4 | Very low | 84 Ų | 84 | 134 Ų | 134 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -76.9 | -7.4 | -162.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | P764 | P764-A766 PolarHBondContact O-N 2.61Š|
| 767 | Q | 39.1 | Very low | 38.1 | Very low | 157 Ų | 157 | 137 Ų | 137 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -109.6 | 2.4 | -156.9 | -139.5 | 168.3 | 14.5 | 0 | 0 | 116.6 | W765 Q769 | W765-Q767 PolarHBondContact O-N 3.31Å; Q767-Q769 PolarHBondContact O-N 3.17Å |
| 768 | Q | 41.1 | Very low | 38.3 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 45.5 | -176.2 | -66.1 | -173.8 | -9.9 | 0 | 0 | 114.3 | | |
| 769 | Q | 39.2 | Very low | 38.3 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | 7.8 | 178.3 | -77.7 | -179.4 | 103.9 | 0 | 0 | 114.9 | Q767 | Q767-Q769 PolarHBondContact O-N 3.17Š|
| 770 | T | 35.2 | Very low | 38.7 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -147.5 | 132.7 | -176.9 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 771 | G | 33.6 | Very low | 39 | Very low | 81 Ų | 81 | 134.3 Ų | 134.3 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | 81.9 | 113 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 772 | I | 34.6 | Very low | 38.9 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -85.2 | 161.7 | 152.2 | -60.4 | 172.4 | 0 | 0 | 0 | 107.4 | | |
| 773 | V | 39.3 | Very low | 39.2 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | 100.1 | 89.9 | 170.6 | -169.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 774 | Q | 43.2 | Very low | 39.1 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | | | trans | 48.7 | 147.3 | 134.6 | -54.9 | -139 | 86.5 | 0 | 0 | 124.3 | | |
| 775 | P | 36.8 | Very low | 39.3 | Very low | 126 Ų | 126 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -118.1 | 168.8 | -175.6 | 43.5 | -33.4 | 0 | 0 | 0 | 117.1 | | |
| 776 | G | 38.1 | Very low | 39.1 | Very low | 72 Ų | 72 | 143.4 Ų | 143.4 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | 117.3 | 146.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 777 | L | 41.8 | Very low | 39.1 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | cis | -147.6 | -178.2 | 3.3 | -95.5 | 173.3 | 0 | 0 | 0 | 109.5 | | |
| 778 | P | 37 | Very low | 39.1 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | trans | -95.9 | 176.4 | -147.6 | 38.9 | -39.8 | 0 | 0 | 0 | 118.9 | | |
| 779 | V | 42.8 | Very low | 39 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | | | trans | -104.9 | 149 | -174 | 175.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 780 | P | 44.5 | Very low | 39.1 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | | | trans | -119.2 | 161.2 | 145.8 | 3.9 | 18.5 | 0 | 0 | 0 | 114 | | |
| 781 | P | 42.2 | Very low | 39.7 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | | | trans | -111.2 | -162.8 | -166.9 | 43.3 | -35.8 | 0 | 0 | 0 | 115.5 | | |
| 782 | Q | 38.1 | Very low | 39.8 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | 90.4 | 150.8 | -174.7 | -54.3 | -176.6 | -89.5 | 0 | 0 | 114 | | |
| 783 | Q | 41.3 | Very low | 40 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | cis | -141 | -169.7 | 7.4 | -146.2 | 170.5 | 8.3 | 0 | 0 | 112.8 | | |
| 784 | Q | 36.1 | Very low | 40 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -133.3 | 129.2 | -159.7 | 170.1 | -164.8 | 18.8 | 0 | 0 | 112.4 | | |
| 785 | Q | 40.9 | Very low | 40 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | | | trans | 178.1 | 160 | 162 | -100.3 | 168.6 | 18 | 0 | 0 | 109.1 | | |
| 786 | Q | 37.4 | Very low | 40.2 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | cis | -166.2 | -178.7 | -38.3 | -139 | -171.9 | 28.6 | 0 | 0 | 110.5 | | |
| 787 | Q | 39.9 | Very low | 40.4 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | | | trans | 70.8 | 86.3 | 154.7 | -70.2 | 171.2 | 40.3 | 0 | 0 | 121.3 | | |
| 788 | Q | 37.5 | Very low | 40.2 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | | 1.4 | 137 | 123.1 | -50.8 | 168.3 | 37.3 | 0 | 0 | 119.3 | | |
| 789 | Q | 40.7 | Very low | 40.1 | Very low | 191 Ų | 191 | 147.2 Ų | 147.2 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | | | | -173 | 153.7 | 127.8 | -106.5 | 156.3 | 99.4 | 0 | 0 | 114.6 | | |
| 790 | A | 39.6 | Very low | 40.1 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | | | trans | -155 | 154.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 791 | P | 47.6 | Very low | 39.9 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | | | | -159.6 | 169.8 | 105.7 | 39.8 | -20.2 | 0 | 0 | 0 | 118.8 | | |
| 792 | Q | 37.5 | Very low | 39.5 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | trans | 18.7 | 143.8 | 148.2 | -60.3 | -174.1 | 13.7 | 0 | 0 | 124.6 | | |
| 793 | R | 37.8 | Very low | 39.2 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | | | | -165 | 132 | 114.9 | -88.9 | -68 | 84.1 | 162.5 | 6.7 | 107.8 | | |
| 794 | Q | 40.1 | Very low | 39.1 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 58% | 0.584 | 74% | 0.743 | S | S | * | * | | | | 53.2 | 136.8 | 95.3 | -84.3 | -170 | -35.6 | 0 | 0 | 115.7 | | |
| 795 | Q | 41.5 | Very low | 38.9 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 65% | 0.645 | 74% | 0.735 | S | S | * | * | | | cis | -158.8 | -162.5 | -4.5 | -153.9 | 151.6 | -104.4 | 0 | 0 | 106.6 | | |
| 796 | Q | 42.4 | Very low | 38.7 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 60% | 0.598 | 74% | 0.739 | S | S | * | * | | | cis | -167.1 | 123.3 | 9.8 | -173 | 157.7 | -65 | 0 | 0 | 114.5 | | |
| 797 | Q | 41.3 | Very low | 38.4 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 66% | 0.659 | 74% | 0.742 | S | S | * | * | | | trans | 62.3 | 164.2 | 150.3 | -63.9 | 164.4 | 24.7 | 0 | 0 | 118.5 | | |
| 798 | Q | 39.1 | Very low | 38.2 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | cis | -147.9 | -179.8 | 1.9 | -134.7 | 156.4 | 21.6 | 0 | 0 | 111.6 | | |
| 799 | A | 34.7 | Very low | 37.9 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | | | trans | -109.5 | -143.3 | -175 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 800 | P | 42.4 | Very low | 37.5 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | | | cis | -145.1 | 162.6 | -3 | 35.5 | -12.1 | 0 | 0 | 0 | 119.7 | | |
| 801 | Q | 40.4 | Very low | 37 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | 56.6 | 177 | 138.1 | -56.8 | -89 | -3.3 | 0 | 0 | 121.5 | | |
| 802 | S | 32.9 | Very low | 36.4 | Very low | 81 Ų | 81 | 134 Ų | 134 | 57% | 0.566 | 74% | 0.744 | S | S | * | * | | | | -163.3 | 171.8 | -64.9 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 803 | F | 32.3 | Very low | 36.1 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | | | trans | 26.3 | 129.2 | 164.3 | -68.8 | -77.9 | 0 | 0 | 0 | 123.5 | | |
| 804 | Q | 39.8 | Very low | 36.1 | Very low | 197 Ų | 197 | 128.7 Ų | 128.7 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | | | | -167.5 | 167.4 | 113.1 | -107.1 | 160.9 | 107 | 0 | 0 | 114.4 | | |
| 805 | T | 30.8 | Very low | 35.6 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | trans | -136 | 140.3 | -168.8 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 806 | L | 37.1 | Very low | 35.4 | Very low | 178 Ų | 178 | 130 Ų | 130 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | | | trans | -143.5 | 155 | 161.2 | -83.7 | -177.6 | 0 | 0 | 0 | 112.2 | | |
| 807 | I | 30.9 | Very low | 34.9 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -140 | 128.5 | -174.4 | -57.7 | 174.2 | 0 | 0 | 0 | 110.3 | V809 | I807-V809 HydrophobicContact CG2-CG2 4.36Š|
| 808 | A | 35.1 | Very low | 34.7 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -158.8 | 128.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 809 | V | 31.9 | Very low | 34.7 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | cis | 91.4 | 110.7 | 34.3 | 179.4 | 0 | 0 | 0 | 0 | 113.3 | I807 | I807-V809 HydrophobicContact CG2-CG2 4.36Š|
| 810 | G | 32.2 | Very low | 34.9 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | trans | 106.2 | 137.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 811 | G | 30.1 | Very low | 34.6 | Very low | 68 Ų | 68 | 134.6 Ų | 134.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | cis | 162.1 | 91.5 | -13.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 812 | S | 35 | Very low | 34.3 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | 67.7 | 169.8 | 168.5 | 90.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 813 | N | 31.2 | Very low | 34.5 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | | | cis | -156 | 173.1 | -3.9 | 44 | 58.7 | 0 | 0 | 0 | 109.9 | | |
| 814 | G | 36.6 | Very low | 34.6 | Very low | 74 Ų | 74 | 127.1 Ų | 127.1 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | trans | 130.8 | 85.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 815 | N | 30.9 | Very low | 34.6 | Very low | 176 Ų | 176 | 122.2 Ų | 122.2 | 94% | 0.941 | 80% | 0.798 | S | S | * | * | | | trans | -94.9 | 144.3 | 165.4 | -99.3 | 0.6 | 0 | 0 | 0 | 111 | | |
| 816 | S | 36 | Very low | 35.1 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -155.9 | 135.9 | 154.6 | -167.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 817 | M | 32 | Very low | 35.1 | Very low | 188 Ų | 188 | 115.5 Ų | 115.5 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | | | trans | -148.7 | 140.6 | 176.9 | -137 | -169 | -167.9 | 0 | 0 | 109.1 | | |
| 818 | L | 36.4 | Very low | 35.6 | Very low | 142 Ų | 142 | 113.6 Ų | 113.6 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | -139.2 | 122.7 | -174.8 | -73 | 174 | 0 | 0 | 0 | 114 | | |
| 819 | I | 40.3 | Very low | 35.6 | Very low | 133 Ų | 133 | 113.6 Ų | 113.6 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | trans | 58.7 | 114.3 | 139.5 | -50.3 | 166.1 | 0 | 0 | 0 | 119.3 | | |
| 820 | P | 37.9 | Very low | 35.8 | Very low | 117 Ų | 117 | 109.2 Ų | 109.2 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | trans | -96 | 151.4 | 146.3 | 36 | -29.2 | 0 | 0 | 0 | 111.8 | | |
| 821 | N | 37.6 | Very low | 36.2 | Very low | 162 Ų | 162 | 109.7 Ų | 109.7 | 87% | 0.866 | 74% | 0.735 | S | S | * | * | | | trans | -125.9 | 156 | -176.6 | -160.9 | -9.8 | 0 | 0 | 0 | 112.3 | | |
| 822 | A | 34.1 | Very low | 36.6 | Very low | 99 Ų | 99 | 108.6 Ų | 108.6 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | | | trans | -116.2 | 164.7 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 823 | G | 36.3 | Very low | 36.7 | Very low | 78 Ų | 78 | 107.7 Ų | 107.7 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | | | trans | -157.1 | 145.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 824 | A | 35.3 | Very low | 37.1 | Very low | 101 Ų | 101 | 108.6 Ų | 108.6 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | | | trans | -148.6 | 158.3 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 825 | S | 39.2 | Very low | 37 | Very low | 93 Ų | 93 | 112.3 Ų | 112.3 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | | | trans | -162.7 | 109.6 | 167.6 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 826 | V | 40.5 | Very low | 37.3 | Very low | 81 Ų | 81 | 109.8 Ų | 109.8 | 49% | 0.491 | 70% | 0.704 | S | S | . | * | | | | 70.3 | 132.3 | 81.7 | 176.7 | 0 | 0 | 0 | 0 | 113.9 | R156 | R156-V826 HydrophobicContact CB-CG2 3.4Å; R156-V826 VanDerWaalsContact CB-CG2 3.4Å; R156-V826 HydrophobicContact CG-CG2 4.25Å |
| 827 | G | 36.9 | Very low | 37.3 | Very low | 67 Ų | 67 | 108.6 Ų | 108.6 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | | | cis | 179.9 | 176.4 | -0.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 828 | P | 42 | Very low | 38 | Very low | 108 Ų | 108 | 105 Ų | 105 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | | | trans | -118 | 169.3 | -156.4 | 41.2 | -32.2 | 0 | 0 | 0 | 118.2 | | |
| 829 | A | 35.2 | Very low | 38.3 | Very low | 95 Ų | 95 | 103.7 Ų | 103.7 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | | | trans | -128.4 | 169.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 830 | T | 35.5 | Very low | 38.1 | Very low | 49 Ų | 49 | 105.5 Ų | 105.5 | 30% | 0.301 | 70% | 0.697 | S | S | . | * | | | trans | -155.9 | 163.4 | -139.8 | 33.1 | 0 | 0 | 0 | 0 | 113.6 | S161 S163 R164 S165 | S161-T830 WeakPolarHBondContact O-CG2 3.27Å; S163-T830 CarbonylContact C-O 3.51Å; S163-T830 WeakPolarHBondContact O-CB 3.33Å; S163-T830 PolarHBondContact O-OG1 3.08Å; R164-T830 CarbonylContact C-O 3.55Å; R164-T830 WeakPolarHBondContact CA-O 3.21Å; R164-T830 PolarHBondContact N-O 3.44Å; S165-T830 PolarHBondContact N-O 2.95Å; S165-T830 VanDerWaalsContact N-O 3.14Å |
| 831 | V | 40.9 | Very low | 38.3 | Very low | 93 Ų | 93 | 103.9 Ų | 103.9 | 56% | 0.564 | 69% | 0.688 | S | S | * | * | | | trans | -147.1 | 176.3 | 173.7 | 79.8 | 0 | 0 | 0 | 0 | 112.8 | R162 S163 | R162-V831 WeakPolarHBondContact CA-O 3.3Å; R162-V831 WeakPolarHBondContact CB-O 3.46Å; R162-V831 WeakPolarHBondContact CG-O 3.47Å; S163-V831 PolarHBondContact N-O 2.71Å; S163-V831 VanDerWaalsContact N-O 3.16Å |
| 832 | A | 38.4 | Very low | 38.6 | Very low | 44 Ų | 44 | 105.9 Ų | 105.9 | 36% | 0.364 | 69% | 0.689 | S | S | . | * | | | trans | -157.1 | 178.4 | -153.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | R162 S163 | R162-A832 HydrophobicContact CB-CB 4.14Å; S163-A832 WeakPolarHBondContact OG-CB 3.42Å |
| 833 | A | 37.6 | Very low | 38.8 | Very low | 97 Ų | 97 | 110 Ų | 110 | 80% | 0.802 | 69% | 0.689 | S | S | * | * | | | trans | 69.1 | 148.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 834 | K | 40.5 | Very low | 38.8 | Very low | 171 Ų | 171 | 109.9 Ų | 109.9 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | | | cis | -168.9 | 132.6 | -26.7 | -164.2 | -171 | 165 | -177.9 | 0 | 109.6 | | |
| 835 | E | 33.7 | Very low | 38.9 | Very low | 152 Ų | 152 | 112.1 Ų | 112.1 | 71% | 0.71 | 68% | 0.68 | S | S | * | * | | | trans | 52.2 | 167.5 | 150.1 | -76.8 | -174 | 56.4 | 0 | 0 | 122.7 | | |
| 836 | T | 37.2 | Very low | 39.3 | Very low | 123 Ų | 123 | 117.9 Ų | 117.9 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | | | cis | -150.6 | -172.1 | -9.6 | -108.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 837 | A | 36.2 | Very low | 39.3 | Very low | 87 Ų | 87 | 122.1 Ų | 122.1 | 72% | 0.719 | 71% | 0.705 | S | S | * | * | | | trans | -99.5 | 179.3 | -154.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 838 | P | 46.1 | Very low | 39.2 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 74% | 0.74 | 71% | 0.712 | S | S | * | * | | | trans | -101.9 | -168.6 | -176.6 | 43.7 | -35.3 | 0 | 0 | 0 | 113.2 | | |
| 839 | P | 43 | Very low | 39.2 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | | | | -156.9 | -155.5 | 85 | 36.1 | -10.4 | 0 | 0 | 0 | 116.4 | | |
| 840 | E | 36.3 | Very low | 39.5 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | | | trans | 78.2 | 152.6 | 157 | -60.2 | -110.1 | 72.7 | 0 | 0 | 119.9 | | |
| 841 | S | 41 | Very low | 39.7 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 57% | 0.573 | 73% | 0.725 | S | S | * | * | | | cis | -167.4 | 160.8 | -26.8 | -116.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 842 | K | 45.4 | Very low | 39.8 | Very low | 205 Ų | 205 | 132.6 Ų | 132.6 | 89% | 0.891 | 74% | 0.74 | S | S | * | * | | | trans | 63.5 | 172.6 | 167.3 | -60.3 | 161.9 | -174.2 | 170.6 | 0 | 117.9 | | |
| 843 | K | 36.9 | Very low | 40.4 | Very low | 186 Ų | 186 | 140 Ų | 140 | 81% | 0.809 | 76% | 0.764 | S | S | * | * | | | | -165.2 | 140.3 | -52.5 | 177.7 | -175.3 | 175.4 | -172.6 | 0 | 107.3 | | |
| 844 | G | 36.6 | Very low | 40.9 | Very low | 74 Ų | 74 | 144.4 Ų | 144.4 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | | | trans | 177.2 | 138.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 845 | E | 38.3 | Very low | 40.6 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | | | trans | -119 | 148.8 | -175.6 | -67 | 160 | 57.9 | 0 | 0 | 112.3 | | |
| 846 | K | 46.4 | Very low | 40.9 | Very low | 213 Ų | 213 | 140.5 Ų | 140.5 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | | | trans | -166.3 | 166.2 | 135 | -104.8 | 158.2 | -173.8 | 179.9 | 0 | 111 | | |
| 847 | K | 41.9 | Very low | 41.4 | Very low | 171 Ų | 171 | 141 Ų | 141 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | trans | -124.6 | 171.2 | -155.2 | -52.8 | 176.9 | 178.1 | 176 | 0 | 113.6 | | |
| 848 | N | 34.4 | Very low | 41.8 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | 69.9 | 157.3 | 161 | -50.6 | -20 | 0 | 0 | 0 | 115.1 | | |
| 849 | A | 40.9 | Very low | 41.8 | Very low | 89 Ų | 89 | 143.6 Ų | 143.6 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | cis | -156.9 | 176.3 | -33.7 | 0 | 0 | 0 | 0 | 0 | 104.5 | | |
| 850 | D | 42.9 | Very low | 42.2 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 61% | 0.61 | 78% | 0.776 | S | S | * | * | | | cis | -173.9 | -150.7 | 23.7 | -154.2 | -52.6 | 0 | 0 | 0 | 107.1 | R270 | R270-D850 IonicContact CZ-OD1 3.78Å; R270-D850 IonicContact CZ-OD2 2.61Å; R270-D850 IonicContact NH1-OD1 3.44Å; R270-D850 PolarHBondContact NH1-OD1 3.26Å; R270-D850 IonicContact NH1-OD2 3.4Å; R270-D850 PolarHBondContact NH1-OD2 3.17Å; R270-D850 VanDerWaalsContact NH2-CG 3.31Å; R270-D850 IonicContact NH2-OD1 3.35Å; R270-D850 PolarHBondContact NH2-OD1 3.46Å; R270-D850 IonicContact NH2-OD2 2.61Å |
| 851 | A | 39.5 | Very low | 42.8 | Very low | 86 Ų | 86 | 150.1 Ų | 150.1 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | 83.6 | 70.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 852 | E | 43.4 | Very low | 43 | Very low | 187 Ų | 187 | 152.3 Ų | 152.3 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -71.3 | 128.5 | 156 | 176 | -154.6 | 136.1 | 0 | 0 | 112.5 | | |
| 853 | K | 50.2 | Low | 43.1 | Very low | 200 Ų | 200 | 146.9 Ų | 146.9 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | | | trans | -168.6 | 150.6 | 144.6 | -138.2 | 166 | -175.9 | 171.4 | 0 | 114 | | |
| 854 | K | 47.3 | Very low | 43.7 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | | | trans | 102.6 | 78 | 173.4 | -64.5 | -169.5 | 175.1 | -174.4 | 0 | 116.9 | | |
| 855 | N | 34.9 | Very low | 44.1 | Very low | 177 Ų | 177 | 147 Ų | 147 | 95% | 0.947 | 77% | 0.77 | S | S | * | * | | | trans | -116.5 | 133.7 | 146.2 | -69.4 | -51.4 | 0 | 0 | 0 | 107.2 | | |
| 856 | G | 40.2 | Very low | 44.2 | Very low | 65 Ų | 65 | 146.9 Ų | 146.9 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | | | trans | 173.7 | -31.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | A858 | G856-A858 PolarHBondContact O-N 2.88Š|
| 857 | D | 46.8 | Very low | 44 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 7.9 | -170 | -55.6 | -84.9 | 0 | 0 | 0 | 115.6 | | |
| 858 | A | 44.9 | Very low | 44.1 | Very low | 80 Ų | 80 | 141.9 Ų | 141.9 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -32.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G856 | G856-A858 PolarHBondContact O-N 2.88Š|
| 859 | E | 47.6 | Very low | 44.6 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -78.6 | -26.5 | -165 | -153.8 | 162.5 | 108 | 0 | 0 | 113.6 | R861 | E859-R861 PolarHBondContact O-N 3.46Å; E859-R861 VanDerWaalsContact O-N 3.13Å |
| 860 | R | 50.3 | Low | 44.7 | Very low | 220 Ų | 220 | 147 Ų | 147 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -77.3 | 5.7 | -173.3 | -153.7 | 177.2 | -178 | -85.6 | 4.5 | 114.8 | | |
| 861 | R | 50 | Low | 44.5 | Very low | 201 Ų | 201 | 144.8 Ų | 144.8 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -109.7 | -6.8 | -176.7 | -69.1 | -176.5 | -179.7 | 149 | 3.8 | 115.1 | E859 | E859-R861 PolarHBondContact O-N 3.46Å; E859-R861 VanDerWaalsContact O-N 3.13Å |
| 862 | N | 44.1 | Very low | 44.6 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 10.5 | -177.3 | -66.8 | -22.1 | 0 | 0 | 0 | 114 | | |
| 863 | A | 47.7 | Very low | 44.5 | Very low | 90 Ų | 90 | 146.8 Ų | 146.8 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -6.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 864 | E | 49.3 | Very low | 43.8 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -117.6 | 11.2 | -174.2 | -80.9 | 172.2 | 83 | 0 | 0 | 113.7 | | |
| 865 | A | 45.3 | Very low | 43.9 | Very low | 82 Ų | 82 | 142.6 Ų | 142.6 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -114.1 | -19.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A867 | A865-A867 PolarHBondContact O-N 2.98Š|
| 866 | E | 40.5 | Very low | 44.4 | Very low | 146 Ų | 146 | 141 Ų | 141 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | trans | -96.2 | 69.2 | -175 | -54.4 | -154.4 | 137.4 | 0 | 0 | 111.3 | R291 | R291-E866 IonicContact CZ-OE2 3.05Å; R291-E866 IonicContact NH1-OE1 3.81Å; R291-E866 PolarHBondContact NH1-OE1 2.67Å; R291-E866 IonicContact NH1-OE2 2.74Å; R291-E866 PolarHBondContact NH1-OE2 2.84Å; R291-E866 IonicContact NH2-OE2 3.36Å; R291-E866 PolarHBondContact NH2-OE2 3.11Å |
| 867 | A | 41.7 | Very low | 44.8 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -154.3 | 31 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A865 | A865-A867 PolarHBondContact O-N 2.98Š|
| 868 | Q | 44.4 | Very low | 45.3 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | -157.5 | 90.9 | 174.3 | -167.8 | -179.4 | -55.4 | 0 | 0 | 114.1 | | |
| 869 | E | 44.5 | Very low | 46.1 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | | | | -162.5 | 170.6 | 128.6 | -109 | 166.6 | -161.5 | 0 | 0 | 108.5 | | |
| 870 | D | 44.3 | Very low | 47.3 | Very low | 173 Ų | 173 | 137 Ų | 137 | 93% | 0.925 | 74% | 0.738 | S | S | * | * | | | trans | 63.6 | 130.1 | -152.1 | -57.4 | -31.7 | 0 | 0 | 0 | 113.9 | | |
| 871 | G | 37.2 | Very low | 48.9 | Very low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | | | cis | 161.4 | 133.1 | -2.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 872 | D | 41.2 | Very low | 50.3 | Low | 148 Ų | 148 | 125.2 Ų | 125.2 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | | | trans | 65.5 | 169.2 | -180 | -171 | 37 | 0 | 0 | 0 | 116.8 | | |
| 873 | K | 42.1 | Very low | 52.2 | Low | 168 Ų | 168 | 122 Ų | 122 | 73% | 0.73 | 68% | 0.682 | S | S | * | * | | | trans | 75 | 80.8 | 169.6 | -50.6 | -169.2 | -178.5 | 174.1 | 0 | 116.1 | | |
| 874 | G | 36.4 | Very low | 54.1 | Low | 73 Ų | 73 | 124.2 Ų | 124.2 | 75% | 0.753 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 177.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K876 | G874-K876 VanDerWaalsContact C-N 3.3Å; G874-K876 PolarHBondContact O-N 3.47Å |
| 875 | K | 49.6 | Very low | 55.8 | Low | 226 Ų | 226 | 119.1 Ų | 119.1 | 98% | 0.983 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.8 | -5.7 | -179.5 | -130.4 | 173.4 | -173 | 177.4 | 0 | 117.2 | | |
| 876 | K | 44.5 | Very low | 57.9 | Low | 145 Ų | 145 | 115.2 Ų | 115.2 | 63% | 0.63 | 62% | 0.62 | S | S | * | * | | | trans | -101.5 | 26.3 | 179.7 | -146.7 | 170.3 | -173.9 | 171.1 | 0 | 116.5 | G874 K878 D879 | G874-K876 VanDerWaalsContact C-N 3.3Å; G874-K876 PolarHBondContact O-N 3.47Å; K876-K878 PolarHBondContact O-N 3.29Å; K876-D879 WeakPolarHBondContact CE-OD2 3.44Å; K876-D879 HydrophobicContact CG-CB 4.38Å; K876-D879 WeakPolarHBondContact CG-OD2 3.47Å |
| 877 | G | 48.8 | Very low | 60.2 | Low | 75 Ų | 75 | 111.7 Ų | 111.7 | 77% | 0.773 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -18.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 878 | K | 56 | Low | 62.6 | Low | 156 Ų | 156 | 111.1 Ų | 111.1 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -57.4 | -177.5 | -158.8 | 168.1 | -174.8 | 175.8 | 0 | 110.7 | K876 S880 K881 Q882 | K876-K878 PolarHBondContact O-N 3.29Å; K878-S880 PolarHBondContact O-N 3.25Å; K878-K881 PolarHBondContact O-N 2.74Å; K878-Q882 PolarHBondContact O-OE1 2.89Å |
| 879 | D | 61.8 | Low | 64.7 | Low | 80 Ų | 80 | 104 Ų | 104 | 43% | 0.428 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -50.3 | -32.7 | -170.5 | -47.6 | -9.5 | 0 | 0 | 0 | 114.5 | K876 K881 Q882 L883 | K876-D879 WeakPolarHBondContact CE-OD2 3.44Å; K876-D879 HydrophobicContact CG-CB 4.38Å; K876-D879 WeakPolarHBondContact CG-OD2 3.47Å; D879-K881 VanDerWaalsContact C-N 3.26Å; D879-K881 PolarHBondContact O-N 3.46Å; D879-Q882 PolarHBondContact O-N 2.89Å; D879-L883 VanDerWaalsContact O-CB 3.25Å; D879-L883 WeakPolarHBondContact O-CB 3.41Å; D879-L883 PolarHBondContact O-N 3.13Å |
| 880 | S | 73.4 | Confident | 66.9 | Low | 57 Ų | 57 | 95.4 Ų | 95.4 | 40% | 0.399 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.5 | -37.4 | 176.7 | -166.3 | 0 | 0 | 0 | 0 | 112.5 | K878 K884 | K878-S880 PolarHBondContact O-N 3.25Å; S880-K884 WeakPolarHBondContact O-CB 3.33Å; S880-K884 VanDerWaalsContact O-CD 3.24Å; S880-K884 WeakPolarHBondContact O-CD 3.41Å; S880-K884 WeakPolarHBondContact O-CG 3.49Å; S880-K884 PolarHBondContact O-N 3.08Å; S880-K884 VanDerWaalsContact O-N 3.16Å; S880-K884 PolarHBondContact OG-NZ 3.06Å |
| 881 | K | 83.5 | Confident | 69.2 | Low | 145 Ų | 145 | 87.9 Ų | 87.9 | 63% | 0.63 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -74.6 | -45.8 | 178 | -171.2 | 176 | -179.5 | -179.3 | 0 | 111.1 | K878 D879 K884 M885 | K878-K881 PolarHBondContact O-N 2.74Å; D879-K881 VanDerWaalsContact C-N 3.26Å; D879-K881 PolarHBondContact O-N 3.46Å; K881-K884 PolarHBondContact O-N 3.25Å; K881-M885 WeakPolarHBondContact O-CG 3.2Å; K881-M885 PolarHBondContact O-N 3.47Å |
| 882 | Q | 80.6 | Confident | 71.8 | Confident | 30 Ų | 30 | 88.1 Ų | 88.1 | 14% | 0.14 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -56.2 | -51.5 | 175.2 | -88.1 | 63.9 | 16.8 | 0 | 0 | 111.9 | K878 D879 K884 M885 F886 T930 P932 | K878-Q882 PolarHBondContact O-OE1 2.89Å; D879-Q882 PolarHBondContact O-N 2.89Å; Q882-K884 VanDerWaalsContact C-N 3.33Å; Q882-K884 PolarHBondContact O-N 3.48Å; Q882-M885 HydrophobicContact CG-CE 4.5Å; Q882-M885 PolarHBondContact O-N 2.97Å; Q882-F886 PolarHBondContact O-N 3.07Å; Q882-T930 HydrophobicContact CB-CG2 4.44Å; Q882-P932 HydrophobicContact CG-CB 4.01Å; Q882-P932 VanDerWaalsContact CG-O 3.25Å; Q882-P932 WeakPolarHBondContact CG-O 3.39Å; Q882-P932 PolarHBondContact NE2-O 3.28Å |
| 883 | L | 83.3 | Confident | 74.1 | Confident | 62 Ų | 62 | 82.9 Ų | 82.9 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65 | -34 | 179.4 | -176.7 | 60.5 | 0 | 0 | 0 | 112.4 | D879 F886 K887 T924 T930 | D879-L883 VanDerWaalsContact O-CB 3.25Å; D879-L883 WeakPolarHBondContact O-CB 3.41Å; D879-L883 PolarHBondContact O-N 3.13Å; L883-F886 HydrophobicContact CD1-CD1 4.45Å; L883-K887 HydrophobicContact CD1-CG 4.35Å; L883-K887 WeakPolarHBondContact O-CB 3.43Å; L883-K887 WeakPolarHBondContact O-CG 3.29Å; L883-K887 PolarHBondContact O-N 2.82Å; L883-T924 HydrophobicContact CD1-CG2 4.26Å; L883-T930 HydrophobicContact CB-CG2 4.38Å; L883-T930 HydrophobicContact CD1-CG2 4.28Å |
| 884 | K | 87.1 | Confident | 76.4 | Confident | 135 Ų | 135 | 74.9 Ų | 74.9 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.2 | -45.5 | 171.7 | -77.3 | 165.7 | -176.4 | 158.3 | 0 | 111.6 | S880 K881 Q882 K887 V888 | S880-K884 WeakPolarHBondContact O-CB 3.33Å; S880-K884 VanDerWaalsContact O-CD 3.24Å; S880-K884 WeakPolarHBondContact O-CD 3.41Å; S880-K884 WeakPolarHBondContact O-CG 3.49Å; S880-K884 PolarHBondContact O-N 3.08Å; S880-K884 VanDerWaalsContact O-N 3.16Å; S880-K884 PolarHBondContact OG-NZ 3.06Å; K881-K884 PolarHBondContact O-N 3.25Å; Q882-K884 VanDerWaalsContact C-N 3.33Å; Q882-K884 PolarHBondContact O-N 3.48Å; K884-K887 PolarHBondContact O-N 3.16Å; K884-V888 WeakPolarHBondContact O-CG2 3.34Å; K884-V888 PolarHBondContact O-N 2.74Å |
| 885 | M | 86.2 | Confident | 79 | Confident | 75 Ų | 75 | 75.1 Ų | 75.1 | 37% | 0.369 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.6 | -66.4 | -175.6 | -55.1 | 0 | 0 | 111.8 | K881 Q882 V888 A889 I937 | K881-M885 WeakPolarHBondContact O-CG 3.2Å; K881-M885 PolarHBondContact O-N 3.47Å; Q882-M885 HydrophobicContact CG-CE 4.5Å; Q882-M885 PolarHBondContact O-N 2.97Å; M885-V888 PolarHBondContact O-N 3.18Å; M885-A889 WeakPolarHBondContact O-CB 3.45Å; M885-A889 PolarHBondContact O-N 2.89Å; M885-I937 HydrophobicContact CB-CD1 3.93Å |
| 886 | F | 88.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 176.5 | -176.6 | -123.1 | 0 | 0 | 0 | 112.1 | Q882 L883 V888 L890 V923 T924 V927 T930 P931 I937 Y940 M941 | Q882-F886 PolarHBondContact O-N 3.07Å; L883-F886 HydrophobicContact CD1-CD1 4.45Å; F886-V888 PolarHBondContact O-N 3.31Å; F886-L890 WeakPolarHBondContact O-CB 3.16Å; F886-L890 PolarHBondContact O-N 2.62Å; F886-V923 HydrophobicContact CZ-CG1 4.26Å; F886-T924 HydrophobicContact CD1-CG2 3.83Å; F886-T924 HydrophobicContact CE1-CG2 3.8Å; F886-V927 HydrophobicContact CE1-CB 4.25Å; F886-V927 HydrophobicContact CE1-CG1 4.2Å; F886-V927 HydrophobicContact CZ-CB 4.4Å; F886-V927 HydrophobicContact CZ-CG1 4.2Å; F886-V927 HydrophobicContact CZ-CG2 4.28Å; F886-T930 HydrophobicContact CB-CG2 4Å; F886-T930 HydrophobicContact CD1-CG2 4.13Å; F886-T930 HydrophobicContact CG-CG2 4.22Å; F886-P931 HydrophobicContact CD2-CG 3.72Å; F886-P931 HydrophobicContact CE2-CG 3.77Å; F886-P931 HydrophobicContact CG-CG 4.38Å; F886-P931 HydrophobicContact CZ-CG 4.47Å; F886-I937 HydrophobicContact CB-CD1 4.27Å; F886-I937 HydrophobicContact CB-CG1 4.36Å; F886-I937 HydrophobicContact CD2-CG1 4.13Å; F886-I937 HydrophobicContact CD2-CG2 4.15Å; F886-Y940 AromaticContact CE2-CD1 3.75Å; F886-Y940 HydrophobicContact CE2-CD1 3.75Å; F886-Y940 HydrophobicContact CE2-CE1 4.04Å; F886-Y940 HydrophobicContact CE2-CG 4.3Å; F886-Y940 HydrophobicContact CZ-CD1 4.12Å; F886-Y940 AromaticContact CZ-CE1 3.93Å; F886-Y940 HydrophobicContact CZ-CE1 3.93Å; F886-M941 HydrophobicContact CD2-CE 3.74Å; F886-M941 HydrophobicContact CE2-CE 3.48Å; F886-M941 VanDerWaalsContact CE2-CE 3.48Å; F886-M941 HydrophobicContact CZ-CE 4.43Å |
| 887 | K | 90 | Very high | 82.9 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 176 | -79.2 | -164.6 | 175.8 | -149.8 | 0 | 113 | L883 K884 A891 V920 D921 T924 | L883-K887 HydrophobicContact CD1-CG 4.35Å; L883-K887 WeakPolarHBondContact O-CB 3.43Å; L883-K887 WeakPolarHBondContact O-CG 3.29Å; L883-K887 PolarHBondContact O-N 2.82Å; K884-K887 PolarHBondContact O-N 3.16Å; K887-A891 WeakPolarHBondContact O-CB 3.21Å; K887-A891 PolarHBondContact O-N 3.08Å; K887-V920 HydrophobicContact CB-CG1 4.33Å; K887-V920 HydrophobicContact CD-CG1 4.2Å; K887-V920 HydrophobicContact CG-CG1 4Å; K887-D921 IonicContact NZ-OD1 3.5Å; K887-T924 HydrophobicContact CD-CG2 4.38Å; K887-T924 VanDerWaalsContact CE-OG1 3.28Å; K887-T924 WeakPolarHBondContact CE-OG1 3.46Å; K887-T924 HydrophobicContact CG-CG2 3.73Å; K887-T924 PolarHBondContact NZ-OG1 3.05Å |
| 888 | V | 90.2 | Very high | 84.8 | Confident | 86 Ų | 86 | 60 Ų | 60 | 52% | 0.521 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.1 | -54 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | K884 M885 F886 L890 A891 D892 | K884-V888 WeakPolarHBondContact O-CG2 3.34Å; K884-V888 PolarHBondContact O-N 2.74Å; M885-V888 PolarHBondContact O-N 3.18Å; F886-V888 PolarHBondContact O-N 3.31Å; V888-L890 VanDerWaalsContact C-N 3.29Å; V888-L890 PolarHBondContact O-N 3.4Å; V888-A891 PolarHBondContact O-N 3.08Å; V888-D892 PolarHBondContact O-N 3.16Å |
| 889 | A | 89 | Confident | 86.2 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.1 | -41.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M885 D892 F893 I937 M941 | M885-A889 WeakPolarHBondContact O-CB 3.45Å; M885-A889 PolarHBondContact O-N 2.89Å; A889-D892 PolarHBondContact O-N 3.33Å; A889-F893 PolarHBondContact O-N 2.88Å; A889-I937 HydrophobicContact CB-CG2 3.62Å; A889-M941 HydrophobicContact CB-CE 4.43Å |
| 890 | L | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 175.1 | -177.3 | 65.9 | 0 | 0 | 0 | 112.5 | F886 V888 D892 F893 V894 V920 V923 T924 M941 L948 | F886-L890 WeakPolarHBondContact O-CB 3.16Å; F886-L890 PolarHBondContact O-N 2.62Å; V888-L890 VanDerWaalsContact C-N 3.29Å; V888-L890 PolarHBondContact O-N 3.4Å; L890-D892 VanDerWaalsContact C-N 3.27Å; L890-D892 PolarHBondContact O-N 2.84Å; L890-F893 PolarHBondContact O-N 3.19Å; L890-V894 HydrophobicContact CD1-CG2 4.46Å; L890-V894 VanDerWaalsContact O-CG2 3.3Å; L890-V894 WeakPolarHBondContact O-CG2 3.21Å; L890-V894 PolarHBondContact O-N 3.45Å; L890-V920 HydrophobicContact CD2-CB 4.3Å; L890-V920 HydrophobicContact CD2-CG1 4.4Å; L890-V920 HydrophobicContact CD2-CG2 4.12Å; L890-V920 HydrophobicContact CG-CG2 4.09Å; L890-V923 HydrophobicContact CD1-CG1 4.27Å; L890-V923 HydrophobicContact CD2-CB 3.64Å; L890-V923 HydrophobicContact CD2-CG1 3.68Å; L890-V923 HydrophobicContact CD2-CG2 4.29Å; L890-T924 HydrophobicContact CD2-CG2 4.41Å; L890-M941 HydrophobicContact CB-CE 3.78Å; L890-M941 HydrophobicContact CD1-CE 4.08Å; L890-M941 HydrophobicContact CD1-SD 4.02Å; L890-L948 HydrophobicContact CD1-CD1 3.74Å; L890-L948 HydrophobicContact CD1-CD2 3.81Å; L890-L948 HydrophobicContact CD1-CG 4.46Å |
| 891 | A | 91.9 | Very high | 87.6 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -35.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K887 V888 K895 V916 V920 | K887-A891 WeakPolarHBondContact O-CB 3.21Å; K887-A891 PolarHBondContact O-N 3.08Å; V888-A891 PolarHBondContact O-N 3.08Å; A891-K895 WeakPolarHBondContact O-CD 3.14Å; A891-K895 WeakPolarHBondContact O-CE 3.48Å; A891-K895 WeakPolarHBondContact O-CG 3.38Å; A891-K895 PolarHBondContact O-N 2.71Å; A891-K895 VanDerWaalsContact O-N 3.1Å; A891-V916 HydrophobicContact CB-CG1 4.25Å; A891-V920 HydrophobicContact CB-CG2 3.9Å |
| 892 | D | 91.9 | Very high | 87.6 | Confident | 71 Ų | 71 | 53.6 Ų | 53.6 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.7 | -45.8 | 174.9 | -68.1 | -29.9 | 0 | 0 | 0 | 111.4 | V888 A889 L890 V894 K895 E896 | V888-D892 PolarHBondContact O-N 3.16Å; A889-D892 PolarHBondContact O-N 3.33Å; L890-D892 VanDerWaalsContact C-N 3.27Å; L890-D892 PolarHBondContact O-N 2.84Å; D892-V894 VanDerWaalsContact C-N 3.28Å; D892-V894 PolarHBondContact O-N 2.99Å; D892-K895 WeakPolarHBondContact O-CB 3.35Å; D892-K895 PolarHBondContact O-N 3.45Å; D892-K895 VanDerWaalsContact O-N 3.08Å; D892-K895 IonicContact OD1-NZ 3.7Å; D892-K895 PolarHBondContact OD1-NZ 3.42Å; D892-E896 WeakPolarHBondContact O-CG 3.12Å; D892-E896 PolarHBondContact O-N 3.36Å |
| 893 | F | 89.2 | Confident | 87.5 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 17% | 0.167 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -52.2 | -46.3 | 171.6 | 179.7 | -79.6 | 0 | 0 | 0 | 112.1 | A889 L890 K895 E896 A897 M941 K945 L948 | A889-F893 PolarHBondContact O-N 2.88Å; L890-F893 PolarHBondContact O-N 3.19Å; F893-K895 VanDerWaalsContact C-N 3.35Å; F893-K895 PolarHBondContact O-N 2.98Å; F893-E896 PolarHBondContact O-N 2.92Å; F893-A897 HydrophobicContact CE1-CB 4.33Å; F893-A897 PolarHBondContact O-N 2.66Å; F893-M941 HydrophobicContact CB-SD 4.47Å; F893-K945 HydrophobicContact CE2-CB 4.12Å; F893-K945 HydrophobicContact CE2-CG 3.85Å; F893-K945 HydrophobicContact CZ-CB 4.18Å; F893-K945 HydrophobicContact CZ-CG 3.84Å; F893-L948 HydrophobicContact CD1-CB 4Å; F893-L948 HydrophobicContact CD1-CD1 3.62Å; F893-L948 HydrophobicContact CD1-CG 4.45Å; F893-L948 HydrophobicContact CE1-CB 3.4Å; F893-L948 HydrophobicContact CE1-CD1 3.73Å; F893-L948 HydrophobicContact CE1-CG 4.22Å; F893-L948 HydrophobicContact CG-CD1 4.1Å; F893-L948 HydrophobicContact CZ-CB 4.06Å; F893-L948 HydrophobicContact CZ-CD1 4.24Å |
| 894 | V | 90.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.6 | -33 | -179.3 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | L890 D892 A897 L898 V916 V919 V952 | L890-V894 HydrophobicContact CD1-CG2 4.46Å; L890-V894 VanDerWaalsContact O-CG2 3.3Å; L890-V894 WeakPolarHBondContact O-CG2 3.21Å; L890-V894 PolarHBondContact O-N 3.45Å; D892-V894 VanDerWaalsContact C-N 3.28Å; D892-V894 PolarHBondContact O-N 2.99Å; V894-A897 PolarHBondContact O-N 3.21Å; V894-L898 HydrophobicContact CG1-CD1 3.91Å; V894-L898 HydrophobicContact CG1-CG 4.42Å; V894-L898 WeakPolarHBondContact O-CB 3.2Å; V894-L898 VanDerWaalsContact O-CG 3.23Å; V894-L898 WeakPolarHBondContact O-CG 3.43Å; V894-L898 PolarHBondContact O-N 2.94Å; V894-V916 HydrophobicContact CG1-CB 4.43Å; V894-V916 HydrophobicContact CG1-CG2 4.05Å; V894-V919 HydrophobicContact CG1-CB 4.24Å; V894-V919 HydrophobicContact CG1-CG1 4.46Å; V894-V919 HydrophobicContact CG1-CG2 4.45Å; V894-V919 HydrophobicContact CG2-CB 4.06Å; V894-V919 HydrophobicContact CG2-CG1 3.49Å; V894-V919 VanDerWaalsContact CG2-CG1 3.49Å; V894-V952 HydrophobicContact CG1-CG2 3.92Å; V894-V952 HydrophobicContact CG2-CG2 4.27Å |
| 895 | K | 90.9 | Very high | 86.9 | Confident | 78 Ų | 78 | 58.2 Ų | 58.2 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 170.6 | -68 | 159.9 | -150 | 160.5 | 0 | 111.1 | A891 D892 F893 A897 L898 K899 V916 | A891-K895 WeakPolarHBondContact O-CD 3.14Å; A891-K895 WeakPolarHBondContact O-CE 3.48Å; A891-K895 WeakPolarHBondContact O-CG 3.38Å; A891-K895 PolarHBondContact O-N 2.71Å; A891-K895 VanDerWaalsContact O-N 3.1Å; D892-K895 WeakPolarHBondContact O-CB 3.35Å; D892-K895 PolarHBondContact O-N 3.45Å; D892-K895 VanDerWaalsContact O-N 3.08Å; D892-K895 IonicContact OD1-NZ 3.7Å; D892-K895 PolarHBondContact OD1-NZ 3.42Å; F893-K895 VanDerWaalsContact C-N 3.35Å; F893-K895 PolarHBondContact O-N 2.98Å; K895-A897 PolarHBondContact O-N 2.97Å; K895-L898 CarbonylContact O-C 3.57Å; K895-L898 PolarHBondContact O-N 3.03Å; K895-L898 VanDerWaalsContact O-N 3.15Å; K895-K899 WeakPolarHBondContact O-CG 3.43Å; K895-K899 PolarHBondContact O-N 3.08Å; K895-V916 HydrophobicContact CG-CG2 4.21Å |
| 896 | E | 89.6 | Confident | 86.3 | Confident | 105 Ų | 105 | 60.4 Ų | 60.4 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 176.1 | -63.2 | -53.7 | 127 | 0 | 0 | 111.6 | D892 F893 L898 K899 | D892-E896 WeakPolarHBondContact O-CG 3.12Å; D892-E896 PolarHBondContact O-N 3.36Å; F893-E896 PolarHBondContact O-N 2.92Å; E896-L898 PolarHBondContact O-N 3.12Å; E896-K899 VanDerWaalsContact CD-CE 3.5Å; E896-K899 WeakPolarHBondContact O-CB 2.99Å; E896-K899 PolarHBondContact O-N 3.31Å; E896-K899 WeakPolarHBondContact OE1-CE 3.49Å; E896-K899 IonicContact OE1-NZ 3.65Å; E896-K899 PolarHBondContact OE1-NZ 3.29Å; E896-K899 WeakPolarHBondContact OE2-CD 3.26Å; E896-K899 VanDerWaalsContact OE2-CE 3.26Å; E896-K899 WeakPolarHBondContact OE2-CE 3.38Å; E896-K899 IonicContact OE2-NZ 2.67Å; E896-K899 PolarHBondContact OE2-NZ 3.18Å |
| 897 | A | 87.6 | Confident | 85.9 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 19% | 0.19 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.8 | -26 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F893 V894 K895 V952 | F893-A897 HydrophobicContact CE1-CB 4.33Å; F893-A897 PolarHBondContact O-N 2.66Å; V894-A897 PolarHBondContact O-N 3.21Å; K895-A897 PolarHBondContact O-N 2.97Å; A897-V952 HydrophobicContact CB-CG1 4.23Å; A897-V952 HydrophobicContact CB-CG2 4.35Å |
| 898 | L | 87.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -88.9 | -12.5 | 175.1 | -70 | 170.2 | 0 | 0 | 0 | 113.9 | V894 K895 E896 T901 W902 M907 I915 V916 V952 V956 | V894-L898 HydrophobicContact CG1-CD1 3.91Å; V894-L898 HydrophobicContact CG1-CG 4.42Å; V894-L898 WeakPolarHBondContact O-CB 3.2Å; V894-L898 VanDerWaalsContact O-CG 3.23Å; V894-L898 WeakPolarHBondContact O-CG 3.43Å; V894-L898 PolarHBondContact O-N 2.94Å; K895-L898 CarbonylContact O-C 3.57Å; K895-L898 PolarHBondContact O-N 3.03Å; K895-L898 VanDerWaalsContact O-N 3.15Å; E896-L898 PolarHBondContact O-N 3.12Å; L898-T901 PolarHBondContact O-N 3.24Å; L898-T901 PolarHBondContact O-OG1 3.31Å; L898-W902 WeakPolarHBondContact O-CB 3.47Å; L898-W902 PolarHBondContact O-N 3.39Å; L898-M907 HydrophobicContact CD2-CE 3.82Å; L898-M907 HydrophobicContact CD2-SD 4.02Å; L898-I915 HydrophobicContact CD1-CB 4.11Å; L898-I915 HydrophobicContact CD1-CG2 3.98Å; L898-I915 HydrophobicContact CD2-CD1 4.14Å; L898-I915 HydrophobicContact CD2-CG2 4.1Å; L898-V916 HydrophobicContact CD1-CG2 3.68Å; L898-V952 HydrophobicContact CD2-CG1 3.7Å; L898-V952 HydrophobicContact CG-CG1 4.05Å; L898-V956 HydrophobicContact CD2-CG2 3.64Å |
| 899 | K | 85.8 | Confident | 85.4 | Confident | 102 Ų | 102 | 64.2 Ų | 64.2 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -54.2 | -43.2 | 177.4 | -80.3 | -177.4 | -175.6 | 169 | 0 | 115.4 | K895 E896 K903 | K895-K899 WeakPolarHBondContact O-CG 3.43Å; K895-K899 PolarHBondContact O-N 3.08Å; E896-K899 VanDerWaalsContact CD-CE 3.5Å; E896-K899 WeakPolarHBondContact O-CB 2.99Å; E896-K899 PolarHBondContact O-N 3.31Å; E896-K899 WeakPolarHBondContact OE1-CE 3.49Å; E896-K899 IonicContact OE1-NZ 3.65Å; E896-K899 PolarHBondContact OE1-NZ 3.29Å; E896-K899 WeakPolarHBondContact OE2-CD 3.26Å; E896-K899 VanDerWaalsContact OE2-CE 3.26Å; E896-K899 WeakPolarHBondContact OE2-CE 3.38Å; E896-K899 IonicContact OE2-NZ 2.67Å; E896-K899 PolarHBondContact OE2-NZ 3.18Å; K899-K903 WeakPolarHBondContact O-CG 3.22Å; K899-K903 PolarHBondContact O-N 3.36Å; K899-K903 VanDerWaalsContact O-N 3.15Å |
| 900 | P | 83.5 | Confident | 85.3 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.8 | -60.5 | 175.6 | 22.3 | -31.2 | 0 | 0 | 0 | 110.3 | W902 K903 D904 | P900-W902 CarbonylContact O-C 3.46Å; P900-W902 PolarHBondContact O-N 3.16Å; P900-K903 WeakPolarHBondContact O-CA 3.31Å; P900-K903 WeakPolarHBondContact O-CB 3.06Å; P900-K903 PolarHBondContact O-N 2.92Å; P900-D904 PolarHBondContact O-N 2.89Å; P900-D904 VanDerWaalsContact O-OD1 3.12Å; P900-D904 VanDerWaalsContact O-OD2 3.06Å |
| 901 | T | 80.5 | Confident | 85.2 | Confident | 33 Ų | 33 | 68.1 Ų | 68.1 | 20% | 0.202 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.9 | -18.1 | -177.6 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | L898 D904 Q906 M907 V956 | L898-T901 PolarHBondContact O-N 3.24Å; L898-T901 PolarHBondContact O-OG1 3.31Å; T901-D904 PolarHBondContact N-OD2 2.91Å; T901-Q906 PolarHBondContact O-N 3.34Å; T901-M907 WeakPolarHBondContact OG1-CE 3.42Å; T901-V956 HydrophobicContact CG2-CG1 4.3Å |
| 902 | W | 83.2 | Confident | 85.1 | Confident | 104 Ų | 104 | 69.3 Ų | 69.3 | 39% | 0.394 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -76.6 | -43.2 | 166.5 | -179.6 | -92.6 | 0 | 0 | 0 | 114 | L898 P900 D904 G905 M907 R909 H912 | L898-W902 WeakPolarHBondContact O-CB 3.47Å; L898-W902 PolarHBondContact O-N 3.39Å; P900-W902 CarbonylContact O-C 3.46Å; P900-W902 PolarHBondContact O-N 3.16Å; W902-D904 VanDerWaalsContact C-N 3.33Å; W902-G905 PolarHBondContact O-N 2.79Å; W902-M907 HydrophobicContact CE3-CG 3.87Å; W902-M907 HydrophobicContact CE3-SD 4.43Å; W902-M907 HydrophobicContact CZ3-CG 4.27Å; W902-R909 HydrophobicContact CH2-CB 3.78Å; W902-R909 HydrophobicContact CZ3-CB 4.3Å; W902-H912 HydrophobicContact CE3-CB 3.77Å; W902-H912 AromaticContact CE3-CD2 3.95Å; W902-H912 HydrophobicContact CZ3-CB 3.77Å |
| 903 | K | 79.8 | Confident | 85 | Confident | 172 Ų | 172 | 71.4 Ų | 71.4 | 75% | 0.748 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.5 | -39.6 | 175.4 | -75.5 | 173.4 | 173.6 | -171.7 | 0 | 111.5 | K899 P900 G905 | K899-K903 WeakPolarHBondContact O-CG 3.22Å; K899-K903 PolarHBondContact O-N 3.36Å; K899-K903 VanDerWaalsContact O-N 3.15Å; P900-K903 WeakPolarHBondContact O-CA 3.31Å; P900-K903 WeakPolarHBondContact O-CB 3.06Å; P900-K903 PolarHBondContact O-N 2.92Å; K903-G905 PolarHBondContact O-N 2.94Å |
| 904 | D | 77.6 | Confident | 85.1 | Confident | 92 Ų | 92 | 72.1 Ų | 72.1 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 4.3 | -176.8 | -46.6 | -23.5 | 0 | 0 | 0 | 113 | P900 T901 W902 Q906 | P900-D904 PolarHBondContact O-N 2.89Å; P900-D904 VanDerWaalsContact O-OD1 3.12Å; P900-D904 VanDerWaalsContact O-OD2 3.06Å; T901-D904 PolarHBondContact N-OD2 2.91Å; W902-D904 VanDerWaalsContact C-N 3.33Å; D904-Q906 HydrophobicContact CB-CG 3.87Å; D904-Q906 PolarHBondContact O-N 2.97Å; D904-Q906 VanDerWaalsContact O-N 3.14Å; D904-Q906 PolarHBondContact O-NE2 2.79Å |
| 905 | G | 79.6 | Confident | 85.1 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 1.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | W902 K903 M907 | W902-G905 PolarHBondContact O-N 2.79Å; K903-G905 PolarHBondContact O-N 2.94Å; G905-M907 PolarHBondContact O-N 2.81Å |
| 906 | Q | 73.5 | Confident | 85.2 | Confident | 121 Ų | 121 | 69.4 Ų | 69.4 | 57% | 0.565 | 35% | 0.35 | S | S | * | . | | | trans | -73.6 | 4 | -168 | -58.2 | -59.7 | -60.4 | 0 | 0 | 114.9 | T901 D904 A960 | T901-Q906 PolarHBondContact O-N 3.34Å; D904-Q906 HydrophobicContact CB-CG 3.87Å; D904-Q906 PolarHBondContact O-N 2.97Å; D904-Q906 VanDerWaalsContact O-N 3.14Å; D904-Q906 PolarHBondContact O-NE2 2.79Å; Q906-A960 VanDerWaalsContact O-CB 3.23Å; Q906-A960 WeakPolarHBondContact O-CB 3.2Å |
| 907 | M | 79.7 | Confident | 85.3 | Confident | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.089 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -156.1 | 148.7 | 176.5 | 64.7 | -174.9 | 68.3 | 0 | 0 | 114.7 | L898 T901 W902 G905 V911 H912 I915 V956 | L898-M907 HydrophobicContact CD2-CE 3.82Å; L898-M907 HydrophobicContact CD2-SD 4.02Å; T901-M907 WeakPolarHBondContact OG1-CE 3.42Å; W902-M907 HydrophobicContact CE3-CG 3.87Å; W902-M907 HydrophobicContact CE3-SD 4.43Å; W902-M907 HydrophobicContact CZ3-CG 4.27Å; G905-M907 PolarHBondContact O-N 2.81Å; M907-V911 HydrophobicContact CB-CB 4.09Å; M907-V911 HydrophobicContact CB-CG1 3.65Å; M907-V911 HydrophobicContact SD-CG1 4.42Å; M907-H912 HydrophobicContact CG-CB 4.48Å; M907-H912 HydrophobicContact SD-CB 3.96Å; M907-I915 HydrophobicContact CE-CD1 4.17Å; M907-I915 HydrophobicContact SD-CD1 4.18Å; M907-V956 HydrophobicContact CE-CB 4.49Å; M907-V956 HydrophobicContact CE-CG1 4.01Å; M907-V956 HydrophobicContact CE-CG2 3.77Å |
| 908 | S | 84 | Confident | 85.5 | Confident | 59 Ų | 59 | 74.6 Ų | 74.6 | 41% | 0.413 | 37% | 0.367 | S | S | . | . | | | trans | -74.3 | 160.2 | 171.4 | 71.6 | 0 | 0 | 0 | 0 | 112.4 | E910 V911 H912 | S908-E910 PolarHBondContact O-N 2.84Å; S908-E910 VanDerWaalsContact O-N 3.16Å; S908-V911 PolarHBondContact O-N 3.34Å; S908-V911 VanDerWaalsContact O-N 3.16Å; S908-V911 WeakPolarHBondContact OG-CG2 3.36Å; S908-V911 PolarHBondContact OG-N 3.42Å; S908-V911 VanDerWaalsContact OG-N 3.14Å; S908-H912 PolarHBondContact O-N 2.7Å |
| 909 | R | 86.4 | Confident | 85.7 | Confident | 161 Ų | 161 | 74.6 Ų | 74.6 | 61% | 0.608 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.4 | -29.8 | 176.9 | 179.1 | -179.7 | -72.6 | 166.2 | -1.8 | 111.8 | W902 K913 | W902-R909 HydrophobicContact CH2-CB 3.78Å; W902-R909 HydrophobicContact CZ3-CB 4.3Å; R909-K913 WeakPolarHBondContact O-CD 3.29Å; R909-K913 VanDerWaalsContact O-CG 3.22Å; R909-K913 WeakPolarHBondContact O-CG 3.39Å; R909-K913 PolarHBondContact O-N 3.24Å; R909-K913 VanDerWaalsContact O-N 3.1Å |
| 910 | E | 87.4 | Confident | 86 | Confident | 99 Ų | 99 | 70.3 Ų | 70.3 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -78.1 | -39.9 | -178.7 | -72.9 | 49.7 | -111 | 0 | 0 | 110.6 | S908 K913 T914 | S908-E910 PolarHBondContact O-N 2.84Å; S908-E910 VanDerWaalsContact O-N 3.16Å; E910-K913 IonicContact OE1-NZ 3.74Å; E910-K913 PolarHBondContact OE1-NZ 2.83Å; E910-T914 WeakPolarHBondContact O-CB 3.27Å; E910-T914 PolarHBondContact O-N 3.27Å; E910-T914 PolarHBondContact O-OG1 3.26Å |
| 911 | V | 88.9 | Confident | 86.3 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 168 | 164.9 | 0 | 0 | 0 | 0 | 111 | M907 S908 K913 T914 I915 Y959 | M907-V911 HydrophobicContact CB-CB 4.09Å; M907-V911 HydrophobicContact CB-CG1 3.65Å; M907-V911 HydrophobicContact SD-CG1 4.42Å; S908-V911 PolarHBondContact O-N 3.34Å; S908-V911 VanDerWaalsContact O-N 3.16Å; S908-V911 WeakPolarHBondContact OG-CG2 3.36Å; S908-V911 PolarHBondContact OG-N 3.42Å; S908-V911 VanDerWaalsContact OG-N 3.14Å; V911-K913 PolarHBondContact O-N 3.31Å; V911-T914 CarbonylContact O-C 3.53Å; V911-T914 WeakPolarHBondContact O-CA 3.36Å; V911-T914 WeakPolarHBondContact O-CB 3.29Å; V911-T914 PolarHBondContact O-N 3.11Å; V911-I915 HydrophobicContact CG1-CD1 3.6Å; V911-I915 HydrophobicContact CG1-CG1 4.12Å; V911-I915 WeakPolarHBondContact O-CG1 3.4Å; V911-I915 PolarHBondContact O-N 3.39Å; V911-Y959 VanDerWaalsContact CG2-O 3.28Å; V911-Y959 WeakPolarHBondContact CG2-O 3.41Å |
| 912 | H | 89.4 | Confident | 86.8 | Confident | 41 Ų | 41 | 73.7 Ų | 73.7 | 19% | 0.19 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55 | -49.6 | 178.5 | 172.9 | -77.6 | 0 | 0 | 0 | 111.9 | W902 M907 S908 T914 I915 V916 | W902-H912 HydrophobicContact CE3-CB 3.77Å; W902-H912 AromaticContact CE3-CD2 3.95Å; W902-H912 HydrophobicContact CZ3-CB 3.77Å; M907-H912 HydrophobicContact CG-CB 4.48Å; M907-H912 HydrophobicContact SD-CB 3.96Å; S908-H912 PolarHBondContact O-N 2.7Å; H912-T914 VanDerWaalsContact C-N 3.27Å; H912-T914 PolarHBondContact O-N 3.45Å; H912-I915 PolarHBondContact O-N 3.13Å; H912-V916 WeakPolarHBondContact O-CG2 3.49Å; H912-V916 PolarHBondContact O-N 3.37Å |
| 913 | K | 90.8 | Very high | 87 | Confident | 116 Ų | 116 | 69 Ų | 69 | 50% | 0.504 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.7 | -42.3 | 173.5 | -71.6 | 161.2 | -178 | 165.9 | 0 | 111.9 | R909 E910 V911 K917 | R909-K913 WeakPolarHBondContact O-CD 3.29Å; R909-K913 VanDerWaalsContact O-CG 3.22Å; R909-K913 WeakPolarHBondContact O-CG 3.39Å; R909-K913 PolarHBondContact O-N 3.24Å; R909-K913 VanDerWaalsContact O-N 3.1Å; E910-K913 IonicContact OE1-NZ 3.74Å; E910-K913 PolarHBondContact OE1-NZ 2.83Å; V911-K913 PolarHBondContact O-N 3.31Å; K913-K917 PolarHBondContact O-N 3.05Å |
| 914 | T | 90.8 | Very high | 87.3 | Confident | 53 Ų | 53 | 62 Ų | 62 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.1 | -43.8 | -177.9 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | E910 V911 H912 K917 K918 Y959 | E910-T914 WeakPolarHBondContact O-CB 3.27Å; E910-T914 PolarHBondContact O-N 3.27Å; E910-T914 PolarHBondContact O-OG1 3.26Å; V911-T914 CarbonylContact O-C 3.53Å; V911-T914 WeakPolarHBondContact O-CA 3.36Å; V911-T914 WeakPolarHBondContact O-CB 3.29Å; V911-T914 PolarHBondContact O-N 3.11Å; H912-T914 VanDerWaalsContact C-N 3.27Å; H912-T914 PolarHBondContact O-N 3.45Å; T914-K917 PolarHBondContact O-N 3.04Å; T914-K918 HydrophobicContact CG2-CG 4.13Å; T914-K918 WeakPolarHBondContact O-CB 3.41Å; T914-K918 WeakPolarHBondContact O-CG 3.38Å; T914-K918 PolarHBondContact O-N 3.33Å; T914-Y959 HydrophobicContact CG2-CE1 4.12Å; T914-Y959 HydrophobicContact CG2-CE2 4.13Å |
| 915 | I | 90.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63 | -48.7 | 176.3 | -61 | 168.7 | 0 | 0 | 0 | 110.2 | L898 M907 V911 H912 K917 K918 V919 V956 Y959 | L898-I915 HydrophobicContact CD1-CB 4.11Å; L898-I915 HydrophobicContact CD1-CG2 3.98Å; L898-I915 HydrophobicContact CD2-CD1 4.14Å; L898-I915 HydrophobicContact CD2-CG2 4.1Å; M907-I915 HydrophobicContact CE-CD1 4.17Å; M907-I915 HydrophobicContact SD-CD1 4.18Å; V911-I915 HydrophobicContact CG1-CD1 3.6Å; V911-I915 HydrophobicContact CG1-CG1 4.12Å; V911-I915 WeakPolarHBondContact O-CG1 3.4Å; V911-I915 PolarHBondContact O-N 3.39Å; H912-I915 PolarHBondContact O-N 3.13Å; I915-K917 VanDerWaalsContact C-N 3.32Å; I915-K917 PolarHBondContact O-N 3.31Å; I915-K918 PolarHBondContact O-N 3.22Å; I915-V919 HydrophobicContact CG2-CG2 4.03Å; I915-V919 WeakPolarHBondContact O-CB 3.43Å; I915-V919 WeakPolarHBondContact O-CG2 3.48Å; I915-V919 PolarHBondContact O-N 3.45Å; I915-V956 HydrophobicContact CD1-CG2 3.94Å; I915-Y959 HydrophobicContact CG1-CD2 3.82Å; I915-Y959 HydrophobicContact CG1-CG 4.45Å |
| 916 | V | 92.4 | Very high | 87.6 | Confident | 20 Ų | 20 | 62.5 Ų | 62.5 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.2 | -49 | 176.5 | 175 | 0 | 0 | 0 | 0 | 110.7 | A891 V894 K895 L898 H912 V920 | A891-V916 HydrophobicContact CB-CG1 4.25Å; V894-V916 HydrophobicContact CG1-CB 4.43Å; V894-V916 HydrophobicContact CG1-CG2 4.05Å; K895-V916 HydrophobicContact CG-CG2 4.21Å; L898-V916 HydrophobicContact CD1-CG2 3.68Å; H912-V916 WeakPolarHBondContact O-CG2 3.49Å; H912-V916 PolarHBondContact O-N 3.37Å; V916-V920 HydrophobicContact CG1-CG2 4.46Å; V916-V920 WeakPolarHBondContact O-CB 3.17Å; V916-V920 WeakPolarHBondContact O-CG2 3.14Å; V916-V920 PolarHBondContact O-N 3.31Å |
| 917 | K | 92.4 | Very high | 87.8 | Confident | 138 Ų | 138 | 57.6 Ų | 57.6 | 60% | 0.6 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.5 | -49.9 | 178 | -177.2 | 173.4 | 179.8 | 179.2 | 0 | 112.1 | K913 T914 I915 V919 V920 D921 | K913-K917 PolarHBondContact O-N 3.05Å; T914-K917 PolarHBondContact O-N 3.04Å; I915-K917 VanDerWaalsContact C-N 3.32Å; I915-K917 PolarHBondContact O-N 3.31Å; K917-V919 PolarHBondContact O-N 3.23Å; K917-V920 PolarHBondContact O-N 3.31Å; K917-D921 WeakPolarHBondContact CE-OD2 3.48Å; K917-D921 VanDerWaalsContact CG-OD2 3.26Å; K917-D921 WeakPolarHBondContact CG-OD2 3.39Å; K917-D921 WeakPolarHBondContact O-CB 3.34Å; K917-D921 PolarHBondContact O-N 3.29Å |
| 918 | K | 91.9 | Very high | 87 | Confident | 99 Ų | 99 | 65.3 Ų | 65.3 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | -177 | -72.2 | -72.1 | -175.3 | 177.9 | 0 | 112.3 | T914 I915 K922 Y955 Y959 | T914-K918 HydrophobicContact CG2-CG 4.13Å; T914-K918 WeakPolarHBondContact O-CB 3.41Å; T914-K918 WeakPolarHBondContact O-CG 3.38Å; T914-K918 PolarHBondContact O-N 3.33Å; I915-K918 PolarHBondContact O-N 3.22Å; K918-K922 WeakPolarHBondContact O-CB 3.26Å; K918-K922 PolarHBondContact O-N 3.16Å; K918-Y955 HydrophobicContact CB-CE1 4.09Å; K918-Y955 HydrophobicContact CB-CE2 4.41Å; K918-Y959 HydrophobicContact CG-CE2 4.38Å |
| 919 | V | 92 | Very high | 85.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.8 | -45.7 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 111 | V894 I915 K917 K922 V923 L951 V952 Y955 | V894-V919 HydrophobicContact CG1-CB 4.24Å; V894-V919 HydrophobicContact CG1-CG1 4.46Å; V894-V919 HydrophobicContact CG1-CG2 4.45Å; V894-V919 HydrophobicContact CG2-CB 4.06Å; V894-V919 HydrophobicContact CG2-CG1 3.49Å; V894-V919 VanDerWaalsContact CG2-CG1 3.49Å; I915-V919 HydrophobicContact CG2-CG2 4.03Å; I915-V919 WeakPolarHBondContact O-CB 3.43Å; I915-V919 WeakPolarHBondContact O-CG2 3.48Å; I915-V919 PolarHBondContact O-N 3.45Å; K917-V919 PolarHBondContact O-N 3.23Å; V919-K922 PolarHBondContact O-N 3.36Å; V919-V923 HydrophobicContact CG1-CG2 4.21Å; V919-V923 WeakPolarHBondContact O-CB 3.34Å; V919-V923 VanDerWaalsContact O-CG2 3.31Å; V919-V923 WeakPolarHBondContact O-CG2 3.28Å; V919-V923 PolarHBondContact O-N 3.47Å; V919-L951 HydrophobicContact CG1-CD2 4.07Å; V919-L951 HydrophobicContact CG2-CG 4.44Å; V919-V952 HydrophobicContact CG1-CG2 4.38Å; V919-V952 HydrophobicContact CG2-CG2 4.11Å; V919-Y955 HydrophobicContact CG2-CD2 3.53Å; V919-Y955 HydrophobicContact CG2-CE2 3.96Å; V919-Y955 HydrophobicContact CG2-CG 4.45Å |
| 920 | V | 91.7 | Very high | 85 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 178.5 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | K887 L890 A891 V916 K917 T924 | K887-V920 HydrophobicContact CB-CG1 4.33Å; K887-V920 HydrophobicContact CD-CG1 4.2Å; K887-V920 HydrophobicContact CG-CG1 4Å; L890-V920 HydrophobicContact CD2-CB 4.3Å; L890-V920 HydrophobicContact CD2-CG1 4.4Å; L890-V920 HydrophobicContact CD2-CG2 4.12Å; L890-V920 HydrophobicContact CG-CG2 4.09Å; A891-V920 HydrophobicContact CB-CG2 3.9Å; V916-V920 HydrophobicContact CG1-CG2 4.46Å; V916-V920 WeakPolarHBondContact O-CB 3.17Å; V916-V920 WeakPolarHBondContact O-CG2 3.14Å; V916-V920 PolarHBondContact O-N 3.31Å; K917-V920 PolarHBondContact O-N 3.31Å; V920-T924 WeakPolarHBondContact O-CB 3.41Å; V920-T924 WeakPolarHBondContact O-CG2 3.39Å; V920-T924 PolarHBondContact O-N 2.91Å; V920-T924 PolarHBondContact O-OG1 2.96Å |
| 921 | D | 89.9 | Confident | 84.1 | Confident | 68 Ų | 68 | 56.9 Ų | 56.9 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 177.6 | -70.6 | -24.5 | 0 | 0 | 0 | 111.2 | K887 K917 S925 | K887-D921 IonicContact NZ-OD1 3.5Å; K917-D921 WeakPolarHBondContact CE-OD2 3.48Å; K917-D921 VanDerWaalsContact CG-OD2 3.26Å; K917-D921 WeakPolarHBondContact CG-OD2 3.39Å; K917-D921 WeakPolarHBondContact O-CB 3.34Å; K917-D921 PolarHBondContact O-N 3.29Å; D921-S925 WeakPolarHBondContact O-CB 3.33Å; D921-S925 PolarHBondContact O-N 2.92Å; D921-S925 PolarHBondContact O-OG 2.88Å |
| 922 | K | 90 | Very high | 83 | Confident | 100 Ų | 100 | 59 Ų | 59 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.1 | -51.1 | 177 | -177.2 | 57.2 | 177.4 | 172.2 | 0 | 112.1 | K918 V919 S925 T926 L951 | K918-K922 WeakPolarHBondContact O-CB 3.26Å; K918-K922 PolarHBondContact O-N 3.16Å; V919-K922 PolarHBondContact O-N 3.36Å; K922-S925 PolarHBondContact O-N 3.41Å; K922-S925 PolarHBondContact O-OG 2.81Å; K922-T926 HydrophobicContact CD-CG2 4.49Å; K922-T926 PolarHBondContact O-N 3.3Å; K922-T926 VanDerWaalsContact O-N 3.12Å; K922-T926 PolarHBondContact O-OG1 3.05Å; K922-L951 HydrophobicContact CG-CD2 4.42Å |
| 923 | V | 88.1 | Confident | 82.3 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | -179.8 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | F886 L890 V919 S925 T926 V927 Y940 L948 L951 | F886-V923 HydrophobicContact CZ-CG1 4.26Å; L890-V923 HydrophobicContact CD1-CG1 4.27Å; L890-V923 HydrophobicContact CD2-CB 3.64Å; L890-V923 HydrophobicContact CD2-CG1 3.68Å; L890-V923 HydrophobicContact CD2-CG2 4.29Å; V919-V923 HydrophobicContact CG1-CG2 4.21Å; V919-V923 WeakPolarHBondContact O-CB 3.34Å; V919-V923 VanDerWaalsContact O-CG2 3.31Å; V919-V923 WeakPolarHBondContact O-CG2 3.28Å; V919-V923 PolarHBondContact O-N 3.47Å; V923-S925 VanDerWaalsContact C-N 3.26Å; V923-S925 PolarHBondContact O-N 2.92Å; V923-T926 WeakPolarHBondContact CA-OG1 3.31Å; V923-T926 PolarHBondContact O-N 3.39Å; V923-T926 VanDerWaalsContact O-N 3.08Å; V923-T926 PolarHBondContact O-OG1 3.09Å; V923-V927 HydrophobicContact CG1-CG2 4.18Å; V923-V927 WeakPolarHBondContact O-CG2 3.33Å; V923-V927 PolarHBondContact O-N 3.12Å; V923-Y940 HydrophobicContact CG1-CE1 4.3Å; V923-L948 HydrophobicContact CG1-CD2 4.49Å; V923-L948 HydrophobicContact CG2-CD2 3.57Å; V923-L951 HydrophobicContact CG2-CD2 3.94Å |
| 924 | T | 86.2 | Confident | 81.7 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 16% | 0.16 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.6 | -18.5 | 176.4 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | L883 F886 K887 L890 V920 | L883-T924 HydrophobicContact CD1-CG2 4.26Å; F886-T924 HydrophobicContact CD1-CG2 3.83Å; F886-T924 HydrophobicContact CE1-CG2 3.8Å; K887-T924 HydrophobicContact CD-CG2 4.38Å; K887-T924 VanDerWaalsContact CE-OG1 3.28Å; K887-T924 WeakPolarHBondContact CE-OG1 3.46Å; K887-T924 HydrophobicContact CG-CG2 3.73Å; K887-T924 PolarHBondContact NZ-OG1 3.05Å; L890-T924 HydrophobicContact CD2-CG2 4.41Å; V920-T924 WeakPolarHBondContact O-CB 3.41Å; V920-T924 WeakPolarHBondContact O-CG2 3.39Å; V920-T924 PolarHBondContact O-N 2.91Å; V920-T924 PolarHBondContact O-OG1 2.96Å |
| 925 | S | 81.5 | Confident | 81.3 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 57% | 0.566 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -78.2 | -25.9 | 167.1 | 74.3 | 0 | 0 | 0 | 0 | 113.7 | D921 K922 V923 | D921-S925 WeakPolarHBondContact O-CB 3.33Å; D921-S925 PolarHBondContact O-N 2.92Å; D921-S925 PolarHBondContact O-OG 2.88Å; K922-S925 PolarHBondContact O-N 3.41Å; K922-S925 PolarHBondContact O-OG 2.81Å; V923-S925 VanDerWaalsContact C-N 3.26Å; V923-S925 PolarHBondContact O-N 2.92Å |
| 926 | T | 81.6 | Confident | 80.8 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -93.8 | -13.6 | -179.7 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | K922 V923 | K922-T926 HydrophobicContact CD-CG2 4.49Å; K922-T926 PolarHBondContact O-N 3.3Å; K922-T926 VanDerWaalsContact O-N 3.12Å; K922-T926 PolarHBondContact O-OG1 3.05Å; V923-T926 WeakPolarHBondContact CA-OG1 3.31Å; V923-T926 PolarHBondContact O-N 3.39Å; V923-T926 VanDerWaalsContact O-N 3.08Å; V923-T926 PolarHBondContact O-OG1 3.09Å |
| 927 | V | 77.8 | Confident | 80.4 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | | | trans | -102.8 | 79.4 | 179.8 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | F886 V923 N929 Y940 | F886-V927 HydrophobicContact CE1-CB 4.25Å; F886-V927 HydrophobicContact CE1-CG1 4.2Å; F886-V927 HydrophobicContact CZ-CB 4.4Å; F886-V927 HydrophobicContact CZ-CG1 4.2Å; F886-V927 HydrophobicContact CZ-CG2 4.28Å; V923-V927 HydrophobicContact CG1-CG2 4.18Å; V923-V927 WeakPolarHBondContact O-CG2 3.33Å; V923-V927 PolarHBondContact O-N 3.12Å; V927-N929 VanDerWaalsContact CG1-O 3.31Å; V927-N929 WeakPolarHBondContact CG1-O 3.38Å; V927-N929 PolarHBondContact O-N 2.96Å; V927-Y940 HydrophobicContact CG2-CE2 4.04Å; V927-Y940 VanDerWaalsContact CG2-OH 3.26Å; V927-Y940 WeakPolarHBondContact CG2-OH 3.44Å |
| 928 | E | 63.2 | Low | 80 | Confident | 179 Ų | 179 | 65.4 Ų | 65.4 | 84% | 0.836 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -56.8 | -36.5 | 178.6 | -59.8 | -175.1 | 143.4 | 0 | 0 | 112.1 | | |
| 929 | N | 61.6 | Low | 79.7 | Confident | 94 Ų | 94 | 65.2 Ų | 65.2 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -101.6 | 89.4 | 176.1 | -75 | -87.7 | 0 | 0 | 0 | 110.2 | W765 V927 | W765-N929 HydrophobicContact CG-CB 4.48Å; W765-N929 VanDerWaalsContact NE1-CB 3.31Å; V927-N929 VanDerWaalsContact CG1-O 3.31Å; V927-N929 WeakPolarHBondContact CG1-O 3.38Å; V927-N929 PolarHBondContact O-N 2.96Å |
| 930 | T | 67.6 | Low | 79.4 | Confident | 43 Ų | 43 | 68.4 Ų | 68.4 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | | | trans | -61.3 | 124.9 | 177 | -64.6 | 0 | 0 | 0 | 0 | 110.9 | Q882 L883 F886 P932 | Q882-T930 HydrophobicContact CB-CG2 4.44Å; L883-T930 HydrophobicContact CB-CG2 4.38Å; L883-T930 HydrophobicContact CD1-CG2 4.28Å; F886-T930 HydrophobicContact CB-CG2 4Å; F886-T930 HydrophobicContact CD1-CG2 4.13Å; F886-T930 HydrophobicContact CG-CG2 4.22Å; T930-P932 WeakPolarHBondContact O-CD 3.3Å |
| 931 | P | 67.5 | Low | 79.1 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.032 | 36% | 0.357 | C | S | . | . | | | trans | -60.5 | 122.8 | -178.8 | 19.6 | -30.1 | 0 | 0 | 0 | 111.6 | F886 K936 I937 | F886-P931 HydrophobicContact CD2-CG 3.72Å; F886-P931 HydrophobicContact CE2-CG 3.77Å; F886-P931 HydrophobicContact CG-CG 4.38Å; F886-P931 HydrophobicContact CZ-CG 4.47Å; P931-K936 HydrophobicContact CB-CB 3.79Å; P931-I937 HydrophobicContact CB-CG1 4.2Å; P931-I937 HydrophobicContact CG-CG1 3.9Å |
| 932 | P | 66.7 | Low | 78.9 | Confident | 59 Ų | 59 | 70.2 Ų | 70.2 | 38% | 0.383 | 37% | 0.37 | S | S | . | . | | | trans | -90.9 | -4 | -162.2 | 33.9 | -37.6 | 0 | 0 | 0 | 116.2 | Q882 T930 | Q882-P932 HydrophobicContact CG-CB 4.01Å; Q882-P932 VanDerWaalsContact CG-O 3.25Å; Q882-P932 WeakPolarHBondContact CG-O 3.39Å; Q882-P932 PolarHBondContact NE2-O 3.28Å; T930-P932 WeakPolarHBondContact O-CD 3.3Å |
| 933 | T | 74.1 | Confident | 78.6 | Confident | 55 Ų | 55 | 73 Ų | 73 | 34% | 0.337 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -125.7 | 159.1 | 176.4 | 71.2 | 0 | 0 | 0 | 0 | 110.6 | E935 K936 I937 | T933-E935 PolarHBondContact O-N 3.25Å; T933-E935 PolarHBondContact OG1-OE2 3.38Å; T933-E935 VanDerWaalsContact OG1-OE2 3.13Å; T933-K936 PolarHBondContact O-N 3.38Å; T933-K936 WeakPolarHBondContact OG1-CG 3.28Å; T933-K936 PolarHBondContact OG1-N 3.32Å; T933-I937 WeakPolarHBondContact O-CG1 3.49Å; T933-I937 PolarHBondContact O-N 3.34Å |
| 934 | K | 78.6 | Confident | 78.5 | Confident | 145 Ų | 145 | 73 Ų | 73 | 63% | 0.63 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.4 | -45.4 | 179 | -167.1 | -158.1 | 168.8 | -156.5 | 0 | 111.1 | K936 I937 D938 | K934-K936 VanDerWaalsContact C-N 3.29Å; K934-K936 PolarHBondContact O-N 2.8Å; K934-I937 WeakPolarHBondContact O-CA 3.15Å; K934-I937 WeakPolarHBondContact O-CB 3.2Å; K934-I937 PolarHBondContact O-N 3.47Å; K934-D938 VanDerWaalsContact CE-OD2 3.29Å; K934-D938 WeakPolarHBondContact CE-OD2 3.38Å; K934-D938 IonicContact NZ-OD2 3.57Å; K934-D938 PolarHBondContact O-N 3.36Å |
| 935 | E | 81.8 | Confident | 78.5 | Confident | 132 Ų | 132 | 77.6 Ų | 77.6 | 62% | 0.617 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.4 | -38.2 | 178.6 | -48.4 | 100.5 | -177.2 | 0 | 0 | 112 | T933 I937 D938 V939 | T933-E935 PolarHBondContact O-N 3.25Å; T933-E935 PolarHBondContact OG1-OE2 3.38Å; T933-E935 VanDerWaalsContact OG1-OE2 3.13Å; E935-I937 VanDerWaalsContact C-N 3.31Å; E935-I937 PolarHBondContact O-N 3.11Å; E935-D938 PolarHBondContact O-N 3.11Å; E935-V939 WeakPolarHBondContact O-CB 3.42Å; E935-V939 VanDerWaalsContact O-CG2 3.28Å; E935-V939 WeakPolarHBondContact O-CG2 3.49Å; E935-V939 PolarHBondContact O-N 3.28Å |
| 936 | K | 80.2 | Confident | 78.8 | Confident | 100 Ų | 100 | 79.3 Ų | 79.3 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.7 | -27.4 | 176.9 | -70.8 | -176.9 | 175.8 | -169 | 0 | 112.8 | W765 P931 T933 K934 Y940 | W765-K936 HydrophobicContact CH2-CD 4.44Å; P931-K936 HydrophobicContact CB-CB 3.79Å; T933-K936 PolarHBondContact O-N 3.38Å; T933-K936 WeakPolarHBondContact OG1-CG 3.28Å; T933-K936 PolarHBondContact OG1-N 3.32Å; K934-K936 VanDerWaalsContact C-N 3.29Å; K934-K936 PolarHBondContact O-N 2.8Å; K936-Y940 WeakPolarHBondContact O-CB 3.49Å; K936-Y940 PolarHBondContact O-N 2.88Å |
| 937 | I | 84.6 | Confident | 79 | Confident | 4 Ų | 4 | 80.3 Ų | 80.3 | 2% | 0.021 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.1 | -49.7 | 168.5 | -66.7 | 163.7 | 0 | 0 | 0 | 109.3 | M885 F886 A889 P931 T933 K934 E935 V939 Y940 M941 | M885-I937 HydrophobicContact CB-CD1 3.93Å; F886-I937 HydrophobicContact CB-CD1 4.27Å; F886-I937 HydrophobicContact CB-CG1 4.36Å; F886-I937 HydrophobicContact CD2-CG1 4.13Å; F886-I937 HydrophobicContact CD2-CG2 4.15Å; A889-I937 HydrophobicContact CB-CG2 3.62Å; P931-I937 HydrophobicContact CB-CG1 4.2Å; P931-I937 HydrophobicContact CG-CG1 3.9Å; T933-I937 WeakPolarHBondContact O-CG1 3.49Å; T933-I937 PolarHBondContact O-N 3.34Å; K934-I937 WeakPolarHBondContact O-CA 3.15Å; K934-I937 WeakPolarHBondContact O-CB 3.2Å; K934-I937 PolarHBondContact O-N 3.47Å; E935-I937 VanDerWaalsContact C-N 3.31Å; E935-I937 PolarHBondContact O-N 3.11Å; I937-V939 PolarHBondContact O-N 2.79Å; I937-Y940 WeakPolarHBondContact O-CB 3.2Å; I937-Y940 PolarHBondContact O-N 3.32Å; I937-Y940 VanDerWaalsContact O-N 3.13Å; I937-M941 HydrophobicContact CG2-CE 4.07Å; I937-M941 HydrophobicContact CG2-CG 4.47Å; I937-M941 WeakPolarHBondContact O-CG 3.35Å; I937-M941 PolarHBondContact O-N 2.81Å |
| 938 | D | 83.8 | Confident | 79.6 | Confident | 66 Ų | 66 | 79.6 Ų | 79.6 | 35% | 0.353 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | -176.1 | -63.9 | -23.7 | 0 | 0 | 0 | 111.7 | K934 E935 M941 T942 | K934-D938 VanDerWaalsContact CE-OD2 3.29Å; K934-D938 WeakPolarHBondContact CE-OD2 3.38Å; K934-D938 IonicContact NZ-OD2 3.57Å; K934-D938 PolarHBondContact O-N 3.36Å; E935-D938 PolarHBondContact O-N 3.11Å; D938-M941 PolarHBondContact O-N 2.8Å; D938-M941 VanDerWaalsContact O-N 3.16Å; D938-T942 PolarHBondContact O-N 2.97Å; D938-T942 PolarHBondContact O-OG1 3.44Å |
| 939 | V | 85.5 | Confident | 80.8 | Confident | 95 Ų | 95 | 73.7 Ų | 73.7 | 58% | 0.576 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.1 | -36.6 | 172 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | E935 I937 T942 Y943 | E935-V939 WeakPolarHBondContact O-CB 3.42Å; E935-V939 VanDerWaalsContact O-CG2 3.28Å; E935-V939 WeakPolarHBondContact O-CG2 3.49Å; E935-V939 PolarHBondContact O-N 3.28Å; I937-V939 PolarHBondContact O-N 2.79Å; V939-T942 PolarHBondContact O-OG1 2.91Å; V939-T942 VanDerWaalsContact O-OG1 3.06Å; V939-Y943 WeakPolarHBondContact O-CB 3.37Å; V939-Y943 PolarHBondContact O-N 3.24Å |
| 940 | Y | 85.6 | Confident | 82.1 | Confident | 67 Ų | 67 | 75 Ų | 75 | 26% | 0.263 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 171.6 | -178.1 | -83.8 | 0 | 0 | 0 | 110.9 | F886 V923 V927 K936 I937 S944 | F886-Y940 AromaticContact CE2-CD1 3.75Å; F886-Y940 HydrophobicContact CE2-CD1 3.75Å; F886-Y940 HydrophobicContact CE2-CE1 4.04Å; F886-Y940 HydrophobicContact CE2-CG 4.3Å; F886-Y940 HydrophobicContact CZ-CD1 4.12Å; F886-Y940 AromaticContact CZ-CE1 3.93Å; F886-Y940 HydrophobicContact CZ-CE1 3.93Å; V923-Y940 HydrophobicContact CG1-CE1 4.3Å; V927-Y940 HydrophobicContact CG2-CE2 4.04Å; V927-Y940 VanDerWaalsContact CG2-OH 3.26Å; V927-Y940 WeakPolarHBondContact CG2-OH 3.44Å; K936-Y940 WeakPolarHBondContact O-CB 3.49Å; K936-Y940 PolarHBondContact O-N 2.88Å; I937-Y940 WeakPolarHBondContact O-CB 3.2Å; I937-Y940 PolarHBondContact O-N 3.32Å; I937-Y940 VanDerWaalsContact O-N 3.13Å; Y940-S944 WeakPolarHBondContact CD1-OG 3.39Å; Y940-S944 WeakPolarHBondContact CE1-OG 3.46Å; Y940-S944 WeakPolarHBondContact O-CB 3.39Å; Y940-S944 PolarHBondContact O-N 2.8Å; Y940-S944 PolarHBondContact O-OG 3.17Å |
| 941 | M | 86.2 | Confident | 83.1 | Confident | 17 Ų | 17 | 75.3 Ų | 75.3 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.7 | -36.1 | 178.8 | -63.8 | -53.9 | 154.2 | 0 | 0 | 112.7 | F886 A889 L890 F893 I937 D938 K945 L948 | F886-M941 HydrophobicContact CD2-CE 3.74Å; F886-M941 HydrophobicContact CE2-CE 3.48Å; F886-M941 VanDerWaalsContact CE2-CE 3.48Å; F886-M941 HydrophobicContact CZ-CE 4.43Å; A889-M941 HydrophobicContact CB-CE 4.43Å; L890-M941 HydrophobicContact CB-CE 3.78Å; L890-M941 HydrophobicContact CD1-CE 4.08Å; L890-M941 HydrophobicContact CD1-SD 4.02Å; F893-M941 HydrophobicContact CB-SD 4.47Å; I937-M941 HydrophobicContact CG2-CE 4.07Å; I937-M941 HydrophobicContact CG2-CG 4.47Å; I937-M941 WeakPolarHBondContact O-CG 3.35Å; I937-M941 PolarHBondContact O-N 2.81Å; D938-M941 PolarHBondContact O-N 2.8Å; D938-M941 VanDerWaalsContact O-N 3.16Å; M941-K945 WeakPolarHBondContact O-CA 3.33Å; M941-K945 WeakPolarHBondContact O-CB 3.24Å; M941-K945 PolarHBondContact O-N 3.32Å; M941-L948 HydrophobicContact SD-CD1 4.01Å |
| 942 | T | 85.6 | Confident | 84.2 | Confident | 102 Ų | 102 | 75.3 Ų | 75.3 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -70.1 | -48.6 | 175.2 | 55.4 | 0 | 0 | 0 | 0 | 111.8 | D938 V939 S944 K945 | D938-T942 PolarHBondContact O-N 2.97Å; D938-T942 PolarHBondContact O-OG1 3.44Å; V939-T942 PolarHBondContact O-OG1 2.91Å; V939-T942 VanDerWaalsContact O-OG1 3.06Å; T942-S944 PolarHBondContact O-N 3.26Å; T942-K945 VanDerWaalsContact O-CB 3.29Å; T942-K945 WeakPolarHBondContact O-CB 3.42Å; T942-K945 PolarHBondContact O-N 2.89Å |
| 943 | Y | 84 | Confident | 85.1 | Confident | 159 Ų | 159 | 78.9 Ų | 78.9 | 62% | 0.624 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.6 | -32.4 | 179.6 | -175.8 | -106.9 | 0 | 0 | 0 | 113.3 | V939 | V939-Y943 WeakPolarHBondContact O-CB 3.37Å; V939-Y943 PolarHBondContact O-N 3.24Å |
| 944 | S | 84.4 | Confident | 85.8 | Confident | 5 Ų | 5 | 78.6 Ų | 78.6 | 4% | 0.035 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -89.4 | -5.2 | 177 | 70.5 | 0 | 0 | 0 | 0 | 114.3 | Y940 T942 E946 K947 L948 | Y940-S944 WeakPolarHBondContact CD1-OG 3.39Å; Y940-S944 WeakPolarHBondContact CE1-OG 3.46Å; Y940-S944 WeakPolarHBondContact O-CB 3.39Å; Y940-S944 PolarHBondContact O-N 2.8Å; Y940-S944 PolarHBondContact O-OG 3.17Å; T942-S944 PolarHBondContact O-N 3.26Å; S944-E946 PolarHBondContact O-N 3.12Å; S944-E946 VanDerWaalsContact O-N 3.07Å; S944-K947 CarbonylContact O-C 3.54Å; S944-K947 WeakPolarHBondContact O-CA 3.25Å; S944-K947 WeakPolarHBondContact O-CB 3.37Å; S944-K947 PolarHBondContact O-N 2.83Å; S944-L948 WeakPolarHBondContact O-CG 3.31Å; S944-L948 PolarHBondContact O-N 3.19Å; S944-L948 WeakPolarHBondContact OG-CD1 3.22Å |
| 945 | K | 86.5 | Confident | 86.3 | Confident | 121 Ų | 121 | 73.8 Ų | 73.8 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -43.9 | -47.5 | -177.2 | 179.1 | 171.2 | -176.2 | -178.3 | 0 | 113.4 | F893 M941 T942 N949 | F893-K945 HydrophobicContact CE2-CB 4.12Å; F893-K945 HydrophobicContact CE2-CG 3.85Å; F893-K945 HydrophobicContact CZ-CB 4.18Å; F893-K945 HydrophobicContact CZ-CG 3.84Å; M941-K945 WeakPolarHBondContact O-CA 3.33Å; M941-K945 WeakPolarHBondContact O-CB 3.24Å; M941-K945 PolarHBondContact O-N 3.32Å; T942-K945 VanDerWaalsContact O-CB 3.29Å; T942-K945 WeakPolarHBondContact O-CB 3.42Å; T942-K945 PolarHBondContact O-N 2.89Å; K945-N949 WeakPolarHBondContact O-CB 3.46Å; K945-N949 VanDerWaalsContact O-CG 3.27Å; K945-N949 PolarHBondContact O-N 3.45Å |
| 946 | E | 86.9 | Confident | 86.6 | Confident | 118 Ų | 118 | 68.4 Ų | 68.4 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -71.1 | -43 | 179.6 | -162.9 | -156.2 | 143.9 | 0 | 0 | 112.7 | S944 L948 N949 K950 | S944-E946 PolarHBondContact O-N 3.12Å; S944-E946 VanDerWaalsContact O-N 3.07Å; E946-L948 VanDerWaalsContact C-N 3.33Å; E946-L948 PolarHBondContact O-N 3.29Å; E946-N949 PolarHBondContact O-N 3.25Å; E946-K950 HydrophobicContact CG-CD 4.47Å; E946-K950 WeakPolarHBondContact O-CB 3.46Å; E946-K950 WeakPolarHBondContact O-CG 3.25Å; E946-K950 PolarHBondContact O-N 3.19Å; E946-K950 WeakPolarHBondContact OE1-CE 3.45Å; E946-K950 IonicContact OE1-NZ 3.86Å; E946-K950 PolarHBondContact OE1-NZ 3.01Å |
| 947 | K | 87.3 | Confident | 86.9 | Confident | 101 Ų | 101 | 65.9 Ų | 65.9 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 177 | -64.9 | 177.7 | 179.1 | 173.7 | 0 | 111.1 | S944 L951 | S944-K947 CarbonylContact O-C 3.54Å; S944-K947 WeakPolarHBondContact O-CA 3.25Å; S944-K947 WeakPolarHBondContact O-CB 3.37Å; S944-K947 PolarHBondContact O-N 2.83Å; K947-L951 WeakPolarHBondContact O-CB 3.02Å; K947-L951 PolarHBondContact O-N 3.47Å |
| 948 | L | 89.1 | Confident | 87 | Confident | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.4 | -45.2 | 174.2 | -66.4 | 178.8 | 0 | 0 | 0 | 111.4 | L890 F893 V923 M941 S944 E946 K950 L951 V952 | L890-L948 HydrophobicContact CD1-CD1 3.74Å; L890-L948 HydrophobicContact CD1-CD2 3.81Å; L890-L948 HydrophobicContact CD1-CG 4.46Å; F893-L948 HydrophobicContact CD1-CB 4Å; F893-L948 HydrophobicContact CD1-CD1 3.62Å; F893-L948 HydrophobicContact CD1-CG 4.45Å; F893-L948 HydrophobicContact CE1-CB 3.4Å; F893-L948 HydrophobicContact CE1-CD1 3.73Å; F893-L948 HydrophobicContact CE1-CG 4.22Å; F893-L948 HydrophobicContact CG-CD1 4.1Å; F893-L948 HydrophobicContact CZ-CB 4.06Å; F893-L948 HydrophobicContact CZ-CD1 4.24Å; V923-L948 HydrophobicContact CG1-CD2 4.49Å; V923-L948 HydrophobicContact CG2-CD2 3.57Å; M941-L948 HydrophobicContact SD-CD1 4.01Å; S944-L948 WeakPolarHBondContact O-CG 3.31Å; S944-L948 PolarHBondContact O-N 3.19Å; S944-L948 WeakPolarHBondContact OG-CD1 3.22Å; E946-L948 VanDerWaalsContact C-N 3.33Å; E946-L948 PolarHBondContact O-N 3.29Å; L948-K950 PolarHBondContact O-N 3.09Å; L948-L951 PolarHBondContact O-N 2.76Å; L948-V952 WeakPolarHBondContact O-CB 3.25Å; L948-V952 VanDerWaalsContact O-CG2 3.29Å; L948-V952 WeakPolarHBondContact O-CG2 3.29Å; L948-V952 PolarHBondContact O-N 2.68Å |
| 949 | N | 88.5 | Confident | 87 | Confident | 56 Ų | 56 | 71.3 Ų | 71.3 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 175.6 | -79.8 | -6.1 | 0 | 0 | 0 | 112.2 | K945 E946 L951 V952 Q953 | K945-N949 WeakPolarHBondContact O-CB 3.46Å; K945-N949 VanDerWaalsContact O-CG 3.27Å; K945-N949 PolarHBondContact O-N 3.45Å; E946-N949 PolarHBondContact O-N 3.25Å; N949-L951 VanDerWaalsContact C-N 3.34Å; N949-L951 PolarHBondContact O-N 3.08Å; N949-V952 PolarHBondContact O-N 3.48Å; N949-Q953 WeakPolarHBondContact O-CB 3.2Å; N949-Q953 VanDerWaalsContact O-CG 3.32Å; N949-Q953 WeakPolarHBondContact O-CG 3.44Å; N949-Q953 PolarHBondContact O-N 3.16Å |
| 950 | K | 89.1 | Confident | 86.3 | Confident | 122 Ų | 122 | 68.8 Ų | 68.8 | 53% | 0.53 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 174.8 | -76 | 173.6 | 169.2 | 174.8 | 0 | 111.9 | E946 L948 A954 | E946-K950 HydrophobicContact CG-CD 4.47Å; E946-K950 WeakPolarHBondContact O-CB 3.46Å; E946-K950 WeakPolarHBondContact O-CG 3.25Å; E946-K950 PolarHBondContact O-N 3.19Å; E946-K950 WeakPolarHBondContact OE1-CE 3.45Å; E946-K950 IonicContact OE1-NZ 3.86Å; E946-K950 PolarHBondContact OE1-NZ 3.01Å; L948-K950 PolarHBondContact O-N 3.09Å; K950-A954 VanDerWaalsContact O-CB 3.3Å; K950-A954 WeakPolarHBondContact O-CB 3.46Å; K950-A954 PolarHBondContact O-N 3.4Å |
| 951 | L | 90.1 | Very high | 85.1 | Confident | 49 Ų | 49 | 74.7 Ų | 74.7 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 175.6 | -175.7 | 60.7 | 0 | 0 | 0 | 112.3 | V919 K922 V923 K947 L948 N949 A954 Y955 | V919-L951 HydrophobicContact CG1-CD2 4.07Å; V919-L951 HydrophobicContact CG2-CG 4.44Å; K922-L951 HydrophobicContact CG-CD2 4.42Å; V923-L951 HydrophobicContact CG2-CD2 3.94Å; K947-L951 WeakPolarHBondContact O-CB 3.02Å; K947-L951 PolarHBondContact O-N 3.47Å; L948-L951 PolarHBondContact O-N 2.76Å; N949-L951 VanDerWaalsContact C-N 3.34Å; N949-L951 PolarHBondContact O-N 3.08Å; L951-A954 PolarHBondContact O-N 2.81Å; L951-Y955 HydrophobicContact CD1-CD2 4.05Å; L951-Y955 HydrophobicContact CD1-CE2 3.67Å; L951-Y955 HydrophobicContact CG-CD2 4.14Å; L951-Y955 HydrophobicContact CG-CE2 4.01Å; L951-Y955 VanDerWaalsContact O-CD2 3.25Å; L951-Y955 WeakPolarHBondContact O-CD2 3.49Å; L951-Y955 PolarHBondContact O-N 3.26Å; L951-Y955 VanDerWaalsContact O-N 3.1Å |
| 952 | V | 89.3 | Confident | 83.5 | Confident | 5 Ų | 5 | 79.8 Ų | 79.8 | 3% | 0.03 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.6 | -51.2 | 174.9 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | V894 A897 L898 V919 L948 N949 A954 Y955 V956 | V894-V952 HydrophobicContact CG1-CG2 3.92Å; V894-V952 HydrophobicContact CG2-CG2 4.27Å; A897-V952 HydrophobicContact CB-CG1 4.23Å; A897-V952 HydrophobicContact CB-CG2 4.35Å; L898-V952 HydrophobicContact CD2-CG1 3.7Å; L898-V952 HydrophobicContact CG-CG1 4.05Å; V919-V952 HydrophobicContact CG1-CG2 4.38Å; V919-V952 HydrophobicContact CG2-CG2 4.11Å; L948-V952 WeakPolarHBondContact O-CB 3.25Å; L948-V952 VanDerWaalsContact O-CG2 3.29Å; L948-V952 WeakPolarHBondContact O-CG2 3.29Å; L948-V952 PolarHBondContact O-N 2.68Å; N949-V952 PolarHBondContact O-N 3.48Å; V952-A954 VanDerWaalsContact C-N 3.3Å; V952-A954 PolarHBondContact O-N 3.38Å; V952-Y955 CarbonylContact O-C 3.5Å; V952-Y955 WeakPolarHBondContact O-CA 3.28Å; V952-Y955 PolarHBondContact O-N 3.3Å; V952-V956 HydrophobicContact CG1-CG2 4.2Å; V952-V956 WeakPolarHBondContact O-CG2 3.36Å; V952-V956 PolarHBondContact O-N 3.21Å |
| 953 | Q | 86.8 | Confident | 83.3 | Confident | 133 Ų | 133 | 78.7 Ų | 78.7 | 62% | 0.621 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -56.3 | -42.8 | 176.2 | -73.9 | 171.7 | -16.6 | 0 | 0 | 112 | N949 Y955 V956 G957 | N949-Q953 WeakPolarHBondContact O-CB 3.2Å; N949-Q953 VanDerWaalsContact O-CG 3.32Å; N949-Q953 WeakPolarHBondContact O-CG 3.44Å; N949-Q953 PolarHBondContact O-N 3.16Å; Q953-Y955 VanDerWaalsContact C-N 3.25Å; Q953-Y955 PolarHBondContact O-N 2.94Å; Q953-V956 PolarHBondContact O-N 3.11Å; Q953-G957 PolarHBondContact O-N 2.91Å |
| 954 | A | 88.8 | Confident | 83.3 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 41% | 0.405 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.2 | -22.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K950 L951 V952 K958 | K950-A954 VanDerWaalsContact O-CB 3.3Å; K950-A954 WeakPolarHBondContact O-CB 3.46Å; K950-A954 PolarHBondContact O-N 3.4Å; L951-A954 PolarHBondContact O-N 2.81Å; V952-A954 VanDerWaalsContact C-N 3.3Å; V952-A954 PolarHBondContact O-N 3.38Å; A954-K958 VanDerWaalsContact O-CD 3.23Å; A954-K958 WeakPolarHBondContact O-CD 3.29Å; A954-K958 WeakPolarHBondContact O-CE 2.72Å; A954-K958 VanDerWaalsContact O-CG 3.23Å; A954-K958 WeakPolarHBondContact O-CG 3.45Å |
| 955 | Y | 89.2 | Confident | 83.3 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 17% | 0.173 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -87.5 | -35.8 | 169.9 | -82.3 | -63 | 0 | 0 | 0 | 112.8 | K918 V919 L951 V952 Q953 K958 Y959 | K918-Y955 HydrophobicContact CB-CE1 4.09Å; K918-Y955 HydrophobicContact CB-CE2 4.41Å; V919-Y955 HydrophobicContact CG2-CD2 3.53Å; V919-Y955 HydrophobicContact CG2-CE2 3.96Å; V919-Y955 HydrophobicContact CG2-CG 4.45Å; L951-Y955 HydrophobicContact CD1-CD2 4.05Å; L951-Y955 HydrophobicContact CD1-CE2 3.67Å; L951-Y955 HydrophobicContact CG-CD2 4.14Å; L951-Y955 HydrophobicContact CG-CE2 4.01Å; L951-Y955 VanDerWaalsContact O-CD2 3.25Å; L951-Y955 WeakPolarHBondContact O-CD2 3.49Å; L951-Y955 PolarHBondContact O-N 3.26Å; L951-Y955 VanDerWaalsContact O-N 3.1Å; V952-Y955 CarbonylContact O-C 3.5Å; V952-Y955 WeakPolarHBondContact O-CA 3.28Å; V952-Y955 PolarHBondContact O-N 3.3Å; Q953-Y955 VanDerWaalsContact C-N 3.25Å; Q953-Y955 PolarHBondContact O-N 2.94Å; Y955-K958 PolarHBondContact O-N 3.14Å; Y955-K958 VanDerWaalsContact O-N 3.15Å; Y955-Y959 HydrophobicContact CD1-CD2 4.1Å; Y955-Y959 AromaticContact CD1-CE2 3.68Å; Y955-Y959 HydrophobicContact CD1-CE2 3.68Å; Y955-Y959 HydrophobicContact CE1-CE2 4.28Å; Y955-Y959 WeakPolarHBondContact O-CD2 3.42Å; Y955-Y959 PolarHBondContact O-N 3.35Å |
| 956 | V | 88.1 | Confident | 83.1 | Confident | 20 Ų | 20 | 75.8 Ų | 75.8 | 12% | 0.121 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 171.5 | 174.2 | 0 | 0 | 0 | 0 | 109.7 | L898 T901 M907 I915 V952 Q953 K958 Y959 A960 | L898-V956 HydrophobicContact CD2-CG2 3.64Å; T901-V956 HydrophobicContact CG2-CG1 4.3Å; M907-V956 HydrophobicContact CE-CB 4.49Å; M907-V956 HydrophobicContact CE-CG1 4.01Å; M907-V956 HydrophobicContact CE-CG2 3.77Å; I915-V956 HydrophobicContact CD1-CG2 3.94Å; V952-V956 HydrophobicContact CG1-CG2 4.2Å; V952-V956 WeakPolarHBondContact O-CG2 3.36Å; V952-V956 PolarHBondContact O-N 3.21Å; Q953-V956 PolarHBondContact O-N 3.11Å; V956-K958 PolarHBondContact O-N 2.87Å; V956-Y959 PolarHBondContact O-N 3.46Å; V956-Y959 VanDerWaalsContact O-N 3.14Å; V956-A960 HydrophobicContact CG1-CB 4.23Å; V956-A960 WeakPolarHBondContact O-CB 3.36Å; V956-A960 PolarHBondContact O-N 3.37Å |
| 957 | G | 85.9 | Confident | 82.8 | Confident | 47 Ų | 47 | 73.1 Ų | 73.1 | 49% | 0.485 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.6 | -17.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q953 | Q953-G957 PolarHBondContact O-N 2.91Å |
| 958 | K | 86.4 | Confident | 82.5 | Confident | 121 Ų | 121 | 71.3 Ų | 71.3 | 53% | 0.526 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -93.6 | -30.3 | 175.6 | -72.4 | 173.8 | -172.7 | 178.4 | 0 | 113.7 | A954 Y955 V956 | A954-K958 VanDerWaalsContact O-CD 3.23Å; A954-K958 WeakPolarHBondContact O-CD 3.29Å; A954-K958 WeakPolarHBondContact O-CE 2.72Å; A954-K958 VanDerWaalsContact O-CG 3.23Å; A954-K958 WeakPolarHBondContact O-CG 3.45Å; Y955-K958 PolarHBondContact O-N 3.14Å; Y955-K958 VanDerWaalsContact O-N 3.15Å; V956-K958 PolarHBondContact O-N 2.87Å |
| 959 | Y | 82.9 | Confident | 82.1 | Confident | 63 Ų | 63 | 76.1 Ų | 76.1 | 25% | 0.247 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -111.6 | -6 | -174.7 | -69.7 | -65 | 0 | 0 | 0 | 114.5 | V911 T914 I915 K918 Y955 V956 K961 | V911-Y959 VanDerWaalsContact CG2-O 3.28Å; V911-Y959 WeakPolarHBondContact CG2-O 3.41Å; T914-Y959 HydrophobicContact CG2-CE1 4.12Å; T914-Y959 HydrophobicContact CG2-CE2 4.13Å; I915-Y959 HydrophobicContact CG1-CD2 3.82Å; I915-Y959 HydrophobicContact CG1-CG 4.45Å; K918-Y959 HydrophobicContact CG-CE2 4.38Å; Y955-Y959 HydrophobicContact CD1-CD2 4.1Å; Y955-Y959 AromaticContact CD1-CE2 3.68Å; Y955-Y959 HydrophobicContact CD1-CE2 3.68Å; Y955-Y959 HydrophobicContact CE1-CE2 4.28Å; Y955-Y959 WeakPolarHBondContact O-CD2 3.42Å; Y955-Y959 PolarHBondContact O-N 3.35Å; V956-Y959 PolarHBondContact O-N 3.46Å; V956-Y959 VanDerWaalsContact O-N 3.14Å; Y959-K961 VanDerWaalsContact C-N 3.3Å |
| 960 | A | 71.1 | Confident | 81.6 | Confident | 42 Ų | 42 | 77.6 Ų | 77.6 | 35% | 0.347 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -86.5 | -2.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q906 V956 | Q906-A960 VanDerWaalsContact O-CB 3.23Å; Q906-A960 WeakPolarHBondContact O-CB 3.2Å; V956-A960 HydrophobicContact CG1-CB 4.23Å; V956-A960 WeakPolarHBondContact O-CB 3.36Å; V956-A960 PolarHBondContact O-N 3.37Å |
| 961 | K | 61.8 | Low | 80.9 | Confident | 190 Ų | 190 | 73.9 Ų | 73.9 | 83% | 0.826 | 42% | 0.422 | S | S | * | . | | | trans | -117.2 | 18.6 | 178.6 | -63.8 | -171.9 | 175 | -173.1 | 0 | 112.6 | Y959 | Y959-K961 VanDerWaalsContact C-N 3.3Š|
| 962 | A | 50.7 | Low | 80.1 | Confident | 124 Ų | 124 | 76.2 Ų | 76.2 | 100% | 1.025 | 44% | 0.437 | S | S | * | . | | | trans | -145.9 | 0 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |