| 1 | M | 36.8 | Very low | 39.5 | Very low | 242 Ų | 242 | 146.4 Ų | 146.4 | 100% | 1.192 | 82% | 0.822 | S | S | * | * | | | | 0 | 111.7 | 0 | -68.4 | 167.1 | -178.3 | 0 | 0 | 105.9 | | |
| 2 | A | 32.8 | Very low | 39.7 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | | | | 68.8 | 99.4 | 96 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 3 | A | 34 | Very low | 40.2 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | | 103.9 | 146.1 | 76.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 4 | A | 37.8 | Very low | 39.5 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | | | cis | -135.1 | -162.4 | -3.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 5 | K | 39.8 | Very low | 39.2 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | cis | -170.3 | 163.3 | 24.6 | -168.3 | -179.4 | 176.4 | -174.2 | 0 | 109.1 | | |
| 6 | A | 40 | Very low | 38.8 | Very low | 83 Ų | 83 | 144.1 Ų | 144.1 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | | | trans | 72.1 | 145.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 7 | E | 46.8 | Very low | 38.5 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | cis | -155.6 | 158 | -6.4 | -128.4 | 169.2 | -164 | 0 | 0 | 112.9 | | |
| 8 | M | 41.3 | Very low | 38.7 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 70% | 0.704 | 80% | 0.799 | S | S | * | * | | | trans | 61.6 | 142.6 | 160.7 | -65.6 | 165.3 | 69.4 | 0 | 0 | 117.9 | | |
| 9 | Q | 49.1 | Very low | 39.1 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | cis | -147 | 152.9 | 6.3 | -134.6 | 163.5 | -4.9 | 0 | 0 | 110.8 | | |
| 10 | L | 37.9 | Very low | 38.8 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 80% | 0.801 | 81% | 0.805 | S | S | * | * | | | trans | -80.1 | 168.4 | 172 | -53.4 | 110.3 | 0 | 0 | 0 | 109.7 | | |
| 11 | M | 38.3 | Very low | 38.7 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | cis | -157.8 | 145.4 | 18.7 | -155.9 | 122.3 | 61.5 | 0 | 0 | 111.1 | | |
| 12 | S | 42.1 | Very low | 38.4 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -94.6 | -175.4 | 162.3 | -30.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 13 | P | 45.8 | Very low | 38.5 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | cis | -145.5 | -169.1 | 28.7 | 32.1 | -4.9 | 0 | 0 | 0 | 116.9 | | |
| 14 | L | 30.6 | Very low | 39.3 | Very low | 140 Ų | 140 | 140 Ų | 140 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | trans | 117.7 | 118.8 | 146 | -64.1 | -178.3 | 0 | 0 | 0 | 118.8 | | |
| 15 | Q | 34.5 | Very low | 38.9 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | trans | 54.3 | 102.3 | 148.3 | -49.6 | -51.1 | -28.7 | 0 | 0 | 119.2 | | |
| 16 | I | 33 | Very low | 38.8 | Very low | 179 Ų | 179 | 139 Ų | 139 | 92% | 0.918 | 77% | 0.773 | S | S | * | * | | | trans | -88.1 | 109.6 | 147.3 | -63.5 | 174 | 0 | 0 | 0 | 106.7 | | |
| 17 | S | 33.2 | Very low | 38.9 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | trans | -107.7 | 149.6 | 169.6 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 18 | D | 43.2 | Very low | 38.3 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | -62.9 | 142.1 | -176.8 | -48.2 | -84.8 | 0 | 0 | 0 | 113.5 | | |
| 19 | P | 46.9 | Very low | 37.8 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | -90.8 | 113.4 | 162.8 | 32.7 | -28.1 | 0 | 0 | 0 | 111 | | |
| 20 | F | 32.1 | Very low | 36.9 | Very low | 209 Ų | 209 | 138.6 Ų | 138.6 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | | | trans | -60.1 | 148.9 | 157.4 | -105.2 | -111.8 | 0 | 0 | 0 | 110.1 | | |
| 21 | G | 36.3 | Very low | 36.4 | Very low | 73 Ų | 73 | 138.1 Ų | 138.1 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | -79.9 | 170.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 22 | S | 30.5 | Very low | 36.2 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -140.2 | 136.1 | 172.4 | -72.6 | 0 | 0 | 0 | 0 | 112 | | |
| 23 | F | 34.8 | Very low | 36.3 | Very low | 204 Ų | 204 | 140.9 Ų | 140.9 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | trans | -82 | -159.7 | 162.6 | -69.3 | -97.3 | 0 | 0 | 0 | 108.8 | | |
| 24 | P | 52.2 | Low | 35.7 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 62% | 0.623 | 78% | 0.778 | S | S | * | * | | | cis | -132.6 | -175 | -16.9 | 12.8 | 14.4 | 0 | 0 | 0 | 114.3 | | |
| 25 | H | 28.9 | Very low | 35.8 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | trans | 132.4 | 126.7 | 130.7 | -81.5 | -67.1 | 0 | 0 | 0 | 117.9 | | |
| 26 | S | 36.6 | Very low | 35.8 | Very low | 100 Ų | 100 | 144 Ų | 144 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | -85.8 | 169.9 | 149.2 | 52.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 27 | P | 43.3 | Very low | 36.1 | Very low | 126 Ų | 126 | 143 Ų | 143 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | | -138.9 | 165.2 | 126.8 | 38 | -27.2 | 0 | 0 | 0 | 115.1 | | |
| 28 | T | 34.1 | Very low | 36.1 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -95.3 | 162.4 | 171.2 | 49.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 29 | M | 30.2 | Very low | 35.7 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | | 179.5 | 161.6 | 124 | -100.9 | -62.3 | 169.9 | 0 | 0 | 114.3 | | |
| 30 | D | 29.8 | Very low | 35.2 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | -93.7 | -177.5 | 178.9 | -61.1 | -90.4 | 0 | 0 | 0 | 113.9 | | |
| 31 | N | 28.7 | Very low | 35.3 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | 84.5 | 103 | 167 | -73.3 | -74.2 | 0 | 0 | 0 | 120.6 | | |
| 32 | Y | 33.6 | Very low | 35 | Very low | 202 Ų | 202 | 147.2 Ų | 147.2 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | | 36 | 139.1 | 110.8 | -83.8 | -71.2 | 0 | 0 | 0 | 120.7 | | |
| 33 | P | 44.1 | Very low | 35.2 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | | -135.7 | 175.5 | 87.7 | 39.8 | -29.4 | 0 | 0 | 0 | 116.3 | | |
| 34 | K | 33.1 | Very low | 34.9 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | | | trans | -93.8 | 141.7 | -174.9 | 176 | -174.7 | 179.3 | -177.1 | 0 | 112.2 | E36 | K34-E36 WeakPolarHBondContact CE-OE2 3.31Å; K34-E36 IonicContact NZ-OE2 3.49Å; K34-E36 PolarHBondContact NZ-OE2 3Å |
| 35 | L | 33 | Very low | 33.9 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 95% | 0.948 | 79% | 0.788 | S | S | * | * | | | trans | -138.2 | 145 | 155 | -86.2 | 176.4 | 0 | 0 | 0 | 109.8 | | |
| 36 | E | 34.1 | Very low | 34.9 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | | | trans | -152 | 156.9 | -170.8 | -169.6 | 165.7 | -138.3 | 0 | 0 | 109.2 | K34 | K34-E36 WeakPolarHBondContact CE-OE2 3.31Å; K34-E36 IonicContact NZ-OE2 3.49Å; K34-E36 PolarHBondContact NZ-OE2 3Å |
| 37 | E | 39.4 | Very low | 34.6 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | 62.6 | 127.7 | 179.7 | -77.3 | -161.4 | 108.9 | 0 | 0 | 120.1 | | |
| 38 | M | 33.5 | Very low | 33.8 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 84% | 0.837 | 78% | 0.783 | S | S | * | * | | | | -166.2 | 156.9 | 93.5 | -107.3 | -169.9 | -74.2 | 0 | 0 | 114 | | |
| 39 | M | 34.3 | Very low | 33.7 | Very low | 165 Ų | 165 | 148 Ų | 148 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | 72.6 | 111.4 | 178.5 | -52.3 | -161.1 | -65.2 | 0 | 0 | 115.5 | | |
| 40 | L | 37.5 | Very low | 33.5 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | | | cis | 73.5 | 137 | 39.4 | -52.1 | 169.6 | 0 | 0 | 0 | 113 | | |
| 41 | L | 32.7 | Very low | 33.5 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | | | cis | -139.7 | 157.7 | 2.6 | -64.4 | 81.7 | 0 | 0 | 0 | 111.3 | | |
| 42 | S | 31.1 | Very low | 33.5 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | | 178.7 | 156.4 | 120.6 | 45.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 43 | N | 34.9 | Very low | 33.3 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -117.7 | 151.5 | -163.5 | -51.5 | -39.4 | 0 | 0 | 0 | 112.3 | | |
| 44 | G | 28.5 | Very low | 32.6 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | trans | 170.2 | 107.6 | 166 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 45 | A | 29.7 | Very low | 33.4 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -138.6 | 170.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 46 | P | 49.9 | Very low | 33.1 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | | | cis | -140.8 | -153.1 | 12.8 | 37.8 | -14.1 | 0 | 0 | 0 | 114.4 | | |
| 47 | Q | 31.9 | Very low | 32.9 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | | | trans | 106.7 | 100.9 | 157.2 | -53.4 | -59.8 | 7.9 | 0 | 0 | 120.6 | | |
| 48 | F | 26.7 | Very low | 32.6 | Very low | 183 Ų | 183 | 126.3 Ų | 126.3 | 80% | 0.803 | 81% | 0.808 | S | S | * | * | | | | 51.8 | 146.8 | 114.7 | -108.5 | -91.6 | 0 | 0 | 0 | 124.1 | | |
| 49 | L | 30.1 | Very low | 32.4 | Very low | 165 Ų | 165 | 122 Ų | 122 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | 73.1 | 136.9 | 172.1 | -52.6 | 171.7 | 0 | 0 | 0 | 116.4 | | |
| 50 | G | 27.2 | Very low | 32.4 | Very low | 71 Ų | 71 | 119.6 Ų | 119.6 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | | | cis | 170.9 | 148 | -12.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 51 | A | 29 | Very low | 32.1 | Very low | 107 Ų | 107 | 121 Ų | 121 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | | | trans | 72.1 | 142.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 52 | A | 30 | Very low | 32 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | trans | 75.2 | 143.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 53 | G | 28.2 | Very low | 32.2 | Very low | 84 Ų | 84 | 119.4 Ų | 119.4 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | 124.3 | 72.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 54 | A | 30.8 | Very low | 32.2 | Very low | 95 Ų | 95 | 116.9 Ų | 116.9 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -108 | -179.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 55 | P | 48.1 | Very low | 32.5 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | | | cis | -137.6 | -167.2 | 0.4 | 44.4 | -26.4 | 0 | 0 | 0 | 113.9 | | |
| 56 | E | 28.5 | Very low | 32.8 | Very low | 190 Ų | 190 | 119.5 Ų | 119.5 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | | | trans | 61.8 | 156 | 157.1 | -68.9 | 174 | -170 | 0 | 0 | 118.8 | | |
| 57 | G | 28.4 | Very low | 32.2 | Very low | 73 Ų | 73 | 120 Ų | 120 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | | | cis | 148.2 | 103 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 58 | S | 33.8 | Very low | 32.5 | Very low | 122 Ų | 122 | 116.7 Ų | 116.7 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | | | trans | -152 | 120.7 | 170.8 | 48.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 59 | G | 29.9 | Very low | 32.7 | Very low | 80 Ų | 80 | 111.7 Ų | 111.7 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | | | trans | -83.6 | 147.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 60 | S | 34 | Very low | 32.9 | Very low | 114 Ų | 114 | 108 Ų | 108 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | | | trans | -105 | 118 | 170.4 | -65.5 | 0 | 0 | 0 | 0 | 110.1 | S62 | S60-S62 PolarHBondContact O-N 3.48Š|
| 61 | N | 30.3 | Very low | 33 | Very low | 168 Ų | 168 | 108.3 Ų | 108.3 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | | | trans | -68.4 | 110.7 | 179.1 | -75.2 | -27.9 | 0 | 0 | 0 | 111.4 | | |
| 62 | S | 31.7 | Very low | 33.4 | Very low | 110 Ų | 110 | 107.2 Ų | 107.2 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | | | trans | -99.7 | 85.1 | 177.6 | 43.2 | 0 | 0 | 0 | 0 | 112 | S60 S64 | S60-S62 PolarHBondContact O-N 3.48Å; S62-S64 PolarHBondContact O-N 3.14Å; S62-S64 VanDerWaalsContact O-N 3.15Å |
| 63 | S | 35.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 105.8 Ų | 105.8 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | | | trans | -83.7 | 77 | 174.5 | 44.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 64 | S | 34.3 | Very low | 33.5 | Very low | 111 Ų | 111 | 105.9 Ų | 105.9 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | | | trans | -100.7 | 106 | 167.2 | 48.4 | 0 | 0 | 0 | 0 | 110.9 | S62 S66 | S62-S64 PolarHBondContact O-N 3.14Å; S62-S64 VanDerWaalsContact O-N 3.15Å; S64-S66 PolarHBondContact O-N 2.85Å |
| 65 | S | 34.1 | Very low | 33.5 | Very low | 115 Ų | 115 | 104.2 Ų | 104.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -72.9 | 124.4 | -177 | 41.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 66 | S | 36.2 | Very low | 32.7 | Very low | 122 Ų | 122 | 103.2 Ų | 103.2 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | | | trans | -63.2 | 136.3 | 169.2 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | S64 | S64-S66 PolarHBondContact O-N 2.85Š|
| 67 | S | 38 | Very low | 32.8 | Very low | 117 Ų | 117 | 99.2 Ų | 99.2 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | -130 | 64.4 | 176.9 | 38.4 | 0 | 0 | 0 | 0 | 111.1 | G69 | S67-G69 PolarHBondContact O-N 3.18Š|
| 68 | G | 38.6 | Very low | 32.9 | Very low | 86 Ų | 86 | 103.9 Ų | 103.9 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | | | trans | -62.7 | 127.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 69 | G | 30.6 | Very low | 32.8 | Very low | 78 Ų | 78 | 103.1 Ų | 103.1 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | -160.8 | 91.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S67 | S67-G69 PolarHBondContact O-N 3.18Š|
| 70 | G | 34.8 | Very low | 32.9 | Very low | 89 Ų | 89 | 105.3 Ų | 105.3 | 92% | 0.918 | 82% | 0.824 | S | S | * | * | | | trans | -70.9 | 147.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 71 | G | 29.2 | Very low | 32.7 | Very low | 76 Ų | 76 | 105.4 Ų | 105.4 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | | | trans | -159 | 106.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G73 | G71-G73 PolarHBondContact O-N 3.22Š|
| 72 | G | 36.1 | Very low | 32.6 | Very low | 85 Ų | 85 | 102.9 Ų | 102.9 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | | | trans | -68.5 | 122.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G74 | G72-G74 PolarHBondContact O-N 2.86Š|
| 73 | G | 30.6 | Very low | 32.6 | Very low | 80 Ų | 80 | 103.5 Ų | 103.5 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | | | trans | -81 | 95.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G71 G75 | G71-G73 PolarHBondContact O-N 3.22Å; G73-G75 VanDerWaalsContact C-N 3.25Å; G73-G75 PolarHBondContact O-N 3Å |
| 74 | G | 30.8 | Very low | 32.2 | Very low | 86 Ų | 86 | 103.3 Ų | 103.3 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | | | trans | -71.1 | 67.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G72 | G72-G74 PolarHBondContact O-N 2.86Š|
| 75 | G | 31.3 | Very low | 32 | Very low | 59 Ų | 59 | 104.3 Ų | 104.3 | 61% | 0.608 | 83% | 0.825 | S | S | * | * | | | trans | -90.6 | 96.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G73 S77 | G73-G75 VanDerWaalsContact C-N 3.25Å; G73-G75 PolarHBondContact O-N 3Å; G75-S77 PolarHBondContact O-N 3.2Å; G75-S77 VanDerWaalsContact O-N 3.08Å; G75-S77 PolarHBondContact O-OG 3.47Å |
| 76 | G | 30.5 | Very low | 31.6 | Very low | 85 Ų | 85 | 108.7 Ų | 108.7 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | | | trans | -61.1 | 110.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 77 | S | 31.6 | Very low | 31.3 | Very low | 105 Ų | 105 | 109.2 Ų | 109.2 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | | | trans | -125.4 | 133.9 | 175.8 | -54 | 0 | 0 | 0 | 0 | 108.2 | G75 S79 | G75-S77 PolarHBondContact O-N 3.2Å; G75-S77 VanDerWaalsContact O-N 3.08Å; G75-S77 PolarHBondContact O-OG 3.47Å; S77-S79 PolarHBondContact O-N 3.21Å |
| 78 | N | 30.2 | Very low | 31.3 | Very low | 171 Ų | 171 | 109.2 Ų | 109.2 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | | | trans | -73 | 124.6 | -176.5 | -60.5 | -15.9 | 0 | 0 | 0 | 110.2 | | |
| 79 | S | 31.6 | Very low | 30.8 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | | | trans | -106.9 | 115.8 | 174.3 | 54.6 | 0 | 0 | 0 | 0 | 110.6 | S77 | S77-S79 PolarHBondContact O-N 3.21Š|
| 80 | S | 31.5 | Very low | 30.6 | Very low | 125 Ų | 125 | 114 Ų | 114 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | trans | -70 | 128 | 169.7 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 81 | S | 30.1 | Very low | 30.2 | Very low | 116 Ų | 116 | 116.4 Ų | 116.4 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | -89.2 | 115.5 | 177.8 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 82 | S | 28.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 118.9 Ų | 118.9 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -100.4 | 120.3 | 163.6 | 53.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 83 | S | 30.9 | Very low | 29.6 | Very low | 123 Ų | 123 | 118.7 Ų | 118.7 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -77 | 133.4 | -172.9 | -49.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 84 | S | 27.9 | Very low | 29.3 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | -140.7 | 119.2 | 157.8 | 52.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 85 | T | 29.5 | Very low | 29.2 | Very low | 132 Ų | 132 | 128 Ų | 128 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | -75.3 | 136 | 178.5 | 43.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 86 | F | 25.1 | Very low | 29.8 | Very low | 207 Ų | 207 | 129.6 Ų | 129.6 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | | | trans | -154.9 | 146.8 | 139.3 | -119.5 | -78.3 | 0 | 0 | 0 | 110.5 | | |
| 87 | N | 29.8 | Very low | 29.6 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | -153.8 | 132.7 | -179.2 | -167.7 | 49.7 | 0 | 0 | 0 | 109 | | |
| 88 | P | 38.7 | Very low | 29.5 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | trans | -133.7 | 172.8 | 142.8 | 24.7 | -5.2 | 0 | 0 | 0 | 113 | | |
| 89 | Q | 27.1 | Very low | 29.3 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -106.2 | 166.1 | -166.8 | -69.6 | 158.9 | -126.1 | 0 | 0 | 114 | | |
| 90 | A | 28.3 | Very low | 29.2 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | 74 | 159.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 91 | D | 25.3 | Very low | 29 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | cis | -151 | 173.4 | 2.9 | -141.3 | -22.1 | 0 | 0 | 0 | 114.1 | | |
| 92 | T | 27.3 | Very low | 29 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | 23.3 | 139.2 | 158.9 | 55.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 93 | G | 25 | Very low | 28.9 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | 161.2 | 124.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 94 | E | 25.6 | Very low | 29 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | trans | -111.1 | 140.8 | 179 | -61.8 | -172.5 | 96.1 | 0 | 0 | 112.8 | | |
| 95 | Q | 27.6 | Very low | 29.1 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | trans | 44.7 | 172.6 | 131.2 | -65.1 | -71.8 | -36.1 | 0 | 0 | 120.6 | | |
| 96 | P | 44.1 | Very low | 29.6 | Very low | 93 Ų | 93 | 142 Ų | 142 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | | | cis | -134.4 | -177.6 | 0.2 | 41.2 | -23.6 | 0 | 0 | 0 | 116.9 | | |
| 97 | Y | 27.3 | Very low | 29.7 | Very low | 206 Ų | 206 | 139.6 Ų | 139.6 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | 67.2 | 158.7 | 153.6 | -75 | -56.3 | 0 | 0 | 0 | 119.3 | | |
| 98 | E | 28.2 | Very low | 29.7 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | cis | -125.5 | -174.4 | 7.9 | -107.2 | -133.7 | 147.8 | 0 | 0 | 115.1 | | |
| 99 | H | 26.8 | Very low | 29.2 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | | | trans | -119.8 | 147 | -162.8 | 176.7 | -88.3 | 0 | 0 | 0 | 111.9 | | |
| 100 | L | 28.8 | Very low | 29.5 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | -152.9 | 163.1 | 160.6 | -111.4 | 175.4 | 0 | 0 | 0 | 112.2 | | |
| 101 | T | 28.4 | Very low | 29.6 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -99.3 | 169.3 | -149.1 | 46.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 102 | A | 28.4 | Very low | 29.8 | Very low | 90 Ų | 90 | 142.1 Ų | 142.1 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | trans | -74.4 | 163.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 103 | E | 27.5 | Very low | 30.1 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | | | trans | -146 | 153 | 150.8 | -94 | -62.7 | 90 | 0 | 0 | 108.7 | F105 | E103-F105 WeakPolarHBondContact OE2-CE2 3.49Š|
| 104 | S | 31.6 | Very low | 30.4 | Very low | 100 Ų | 100 | 150 Ų | 150 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -148 | 117.5 | -172.3 | 62 | 0 | 0 | 0 | 0 | 113.8 | | |
| 105 | F | 31.2 | Very low | 30.6 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | | | trans | -142.7 | 164.1 | 179 | -81.4 | -63.4 | 0 | 0 | 0 | 111.9 | E103 | E103-F105 WeakPolarHBondContact OE2-CE2 3.49Š|
| 106 | P | 38.9 | Very low | 30.9 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | | -111.8 | 176.3 | -124.2 | 41.7 | -39.2 | 0 | 0 | 0 | 116.5 | | |
| 107 | D | 27.1 | Very low | 30.2 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | -55.4 | 136.2 | 161.7 | -103 | -54.4 | 0 | 0 | 0 | 112 | | |
| 108 | I | 30 | Very low | 30.4 | Very low | 138 Ų | 138 | 146 Ų | 146 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | trans | -128.2 | 104.6 | 161.3 | -59.9 | -179.5 | 0 | 0 | 0 | 108.3 | L110 | I108-L110 HydrophobicContact CG2-CD1 4.36Å; I108-L110 HydrophobicContact CG2-CG 4.33Å |
| 109 | S | 28.8 | Very low | 30.3 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -86.7 | 123.5 | 158.3 | -69 | 0 | 0 | 0 | 0 | 108.7 | | |
| 110 | L | 33.3 | Very low | 30.4 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -133.1 | 151.1 | 163 | -93.4 | 174.4 | 0 | 0 | 0 | 110.6 | I108 | I108-L110 HydrophobicContact CG2-CD1 4.36Å; I108-L110 HydrophobicContact CG2-CG 4.33Å |
| 111 | N | 30 | Very low | 30.5 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | | | trans | -86.8 | 171.8 | -164.5 | -74.2 | -38.3 | 0 | 0 | 0 | 113.5 | | |
| 112 | N | 30.8 | Very low | 31.1 | Very low | 150 Ų | 150 | 145 Ų | 145 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | -43.7 | 149.2 | 158.7 | -34.9 | -49.6 | 0 | 0 | 0 | 111.5 | | |
| 113 | E | 32 | Very low | 31.2 | Very low | 199 Ų | 199 | 145.1 Ų | 145.1 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | | | | -154.8 | -176.5 | 111.2 | -119.4 | 177.6 | -177.4 | 0 | 0 | 113.4 | | |
| 114 | K | 32.2 | Very low | 31.4 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | | | trans | -126.3 | 121.4 | -151.6 | 171 | -162.4 | 173.6 | -167.4 | 0 | 110.9 | L116 | K114-L116 HydrophobicContact CG-CD1 4.47Š|
| 115 | V | 30 | Very low | 31.2 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -128.1 | 128.2 | 169.6 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | V117 | V115-V117 HydrophobicContact CG1-CG2 4.42Š|
| 116 | L | 32.8 | Very low | 31 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 71% | 0.707 | 80% | 0.801 | S | S | * | * | | | trans | -93.2 | 137.3 | 164.7 | -77.9 | 84.3 | 0 | 0 | 0 | 109 | K114 | K114-L116 HydrophobicContact CG-CD1 4.47Š|
| 117 | V | 30.2 | Very low | 30.6 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | | | trans | -140.3 | 119.9 | 151.3 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | V115 | V115-V117 HydrophobicContact CG1-CG2 4.42Š|
| 118 | E | 30.4 | Very low | 30.8 | Very low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | trans | -85.9 | 143.2 | 161.2 | -68.2 | -178.4 | 108.4 | 0 | 0 | 109.2 | | |
| 119 | T | 28.1 | Very low | 31.3 | Very low | 139 Ų | 139 | 150.8 Ų | 150.8 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -161.3 | 160.2 | 154.1 | -4.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 120 | S | 28.2 | Very low | 31.8 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | | | trans | -105.5 | 156.2 | -157 | 54.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 121 | Y | 29.8 | Very low | 31.9 | Very low | 214 Ų | 214 | 152 Ų | 152 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | | | trans | -32.8 | 152.4 | 157.4 | -63.1 | -80.3 | 0 | 0 | 0 | 115.6 | | |
| 122 | P | 42.5 | Very low | 31.9 | Very low | 133 Ų | 133 | 151.1 Ų | 151.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | | -137 | 170.6 | 77.9 | 36.6 | -20.8 | 0 | 0 | 0 | 116.9 | | |
| 123 | S | 29 | Very low | 31.8 | Very low | 92 Ų | 92 | 154.4 Ų | 154.4 | 64% | 0.643 | 82% | 0.815 | S | S | * | * | | | trans | -102.5 | 160.5 | -172 | -38.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 124 | Q | 31.6 | Very low | 31.8 | Very low | 198 Ų | 198 | 151.1 Ų | 151.1 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | | | | -173.7 | 176.6 | 119.5 | -104.1 | 170.5 | 97.6 | 0 | 0 | 115.1 | | |
| 125 | T | 27.9 | Very low | 31.7 | Very low | 130 Ų | 130 | 146 Ų | 146 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | | | trans | -127.4 | 145.3 | -161.5 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 126 | T | 28.2 | Very low | 31.7 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | | | trans | -139.7 | 164.8 | 160.4 | -33.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 127 | R | 30.5 | Very low | 31.4 | Very low | 224 Ų | 224 | 154.4 Ų | 154.4 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | | | trans | -123.6 | 173 | -166.2 | -86.6 | 179.9 | 149.1 | -137.7 | 1.8 | 114 | | |
| 128 | L | 30.2 | Very low | 31.2 | Very low | 150 Ų | 150 | 153.8 Ų | 153.8 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | 88.3 | 157.5 | 158.7 | -50.8 | -178.7 | 0 | 0 | 0 | 116.6 | | |
| 129 | P | 41.3 | Very low | 31.3 | Very low | 111 Ų | 111 | 153.1 Ų | 153.1 | 72% | 0.721 | 82% | 0.822 | S | S | * | * | | | cis | -126.9 | 177.8 | -38.9 | 34.3 | -17.2 | 0 | 0 | 0 | 112 | | |
| 130 | P | 38.4 | Very low | 31.3 | Very low | 127 Ų | 127 | 155.8 Ų | 155.8 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | | | trans | -87.6 | 155.2 | -174.9 | 34.9 | -35.5 | 0 | 0 | 0 | 114.6 | | |
| 131 | I | 35 | Very low | 32.3 | Very low | 168 Ų | 168 | 156.4 Ų | 156.4 | 86% | 0.862 | 83% | 0.826 | S | S | * | * | | | trans | -116.6 | 128.2 | 172 | -54.9 | 176.2 | 0 | 0 | 0 | 109.4 | | |
| 132 | T | 31.6 | Very low | 32.3 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 82% | 0.816 | 82% | 0.824 | S | S | * | * | | | trans | -95.1 | 137.8 | 171.1 | 48.3 | 0 | 0 | 0 | 0 | 111 | | |
| 133 | Y | 27.6 | Very low | 32.5 | Very low | 219 Ų | 219 | 150.5 Ų | 150.5 | 86% | 0.859 | 82% | 0.822 | S | S | * | * | | | trans | -141.5 | 136.1 | 160.1 | -162.7 | -100.3 | 0 | 0 | 0 | 111.6 | | |
| 134 | T | 32.8 | Very low | 32.7 | Very low | 129 Ų | 129 | 153.9 Ų | 153.9 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | | | trans | -116.3 | 120.7 | -179.3 | 49.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 135 | G | 29.1 | Very low | 32.7 | Very low | 70 Ų | 70 | 150.4 Ų | 150.4 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | | | trans | -127 | 105 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 136 | R | 30.9 | Very low | 32.8 | Very low | 235 Ų | 235 | 147.4 Ų | 147.4 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | | | trans | -87.5 | 142.8 | 167.3 | -114.6 | -179.7 | 173.5 | 171 | -4 | 108.7 | | |
| 137 | F | 27.1 | Very low | 33 | Very low | 209 Ų | 209 | 147.9 Ų | 147.9 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | | | trans | -134.4 | 134.5 | 155.3 | -92.4 | -83.9 | 0 | 0 | 0 | 109.4 | | |
| 138 | S | 25.4 | Very low | 33.1 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | | | trans | -108.4 | 158.9 | 170.8 | -69.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 139 | L | 31.8 | Very low | 33.1 | Very low | 169 Ų | 169 | 143 Ų | 143 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | | | trans | -88.4 | 148.1 | 175.6 | -61.8 | 159.6 | 0 | 0 | 0 | 110.4 | | |
| 140 | E | 29.4 | Very low | 32.6 | Very low | 194 Ų | 194 | 147.9 Ų | 147.9 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | | | | -171.3 | 163 | 119.7 | -100.5 | -166.7 | 94.7 | 0 | 0 | 111.7 | | |
| 141 | P | 49 | Very low | 33 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | trans | -113.6 | 173.4 | -164.5 | 42 | -34.4 | 0 | 0 | 0 | 116.2 | | |
| 142 | A | 29.1 | Very low | 33.3 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | -146.5 | 162.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 143 | P | 45.8 | Very low | 34.8 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | trans | -116.5 | -171 | -150.9 | 43.1 | -34.7 | 0 | 0 | 0 | 118.5 | | |
| 144 | N | 35.1 | Very low | 35.1 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -65 | 147.1 | -160 | -55.8 | -28.3 | 0 | 0 | 0 | 120.7 | | |
| 145 | S | 30.9 | Very low | 35.1 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -169.6 | 150 | 150.6 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 146 | G | 29.3 | Very low | 35.1 | Very low | 68 Ų | 68 | 145.9 Ų | 145.9 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | cis | 153.6 | 126.1 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 147 | N | 33.3 | Very low | 35.1 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | 66 | 153.6 | 170 | -66.1 | -5.1 | 0 | 0 | 0 | 117.4 | | |
| 148 | T | 32 | Very low | 35.4 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | | | cis | -165.3 | 173.3 | -9.1 | 18.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 149 | L | 30.2 | Very low | 35.6 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | 101.2 | 134.7 | 157 | -68.7 | 126 | 0 | 0 | 0 | 120.4 | | |
| 150 | W | 31.8 | Very low | 35.4 | Very low | 213 Ų | 213 | 132.5 Ų | 132.5 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | | | trans | -115.1 | 169.4 | 169.7 | -69.2 | 76.9 | 0 | 0 | 0 | 109.1 | E152 | W150-E152 HydrophobicContact CE3-CG 3.78Å; W150-E152 HydrophobicContact CZ3-CG 3.66Å |
| 151 | P | 46.5 | Very low | 35.6 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | | -144 | 153.8 | 85 | 35.3 | -17.1 | 0 | 0 | 0 | 117 | | |
| 152 | E | 40.8 | Very low | 34.7 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | -94.3 | -171.7 | 162.1 | -82 | -81.8 | 154.6 | 0 | 0 | 109.6 | W150 | W150-E152 HydrophobicContact CE3-CG 3.78Å; W150-E152 HydrophobicContact CZ3-CG 3.66Å |
| 153 | P | 63 | Low | 34.6 | Very low | 91 Ų | 91 | 131.3 Ų | 131.3 | 59% | 0.591 | 77% | 0.767 | S | S | * | * | | | cis | -131.2 | -166.4 | -8.4 | 39.5 | -21.6 | 0 | 0 | 0 | 113.7 | | |
| 154 | L | 34.5 | Very low | 33.8 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | | | | -155.4 | 175.5 | 126.3 | -106.6 | -176.1 | 0 | 0 | 0 | 112.8 | | |
| 155 | F | 31.6 | Very low | 33.6 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | | | trans | -127.7 | 170.6 | -145.4 | -123 | -98 | 0 | 0 | 0 | 116.3 | | |
| 156 | S | 29.3 | Very low | 33.6 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | 77 | 161.3 | 155.7 | -67.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 157 | L | 32 | Very low | 35.2 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | | | cis | 180 | -174.6 | -40.4 | -120 | 168.3 | 0 | 0 | 0 | 108.1 | | |
| 158 | V | 32.3 | Very low | 36.1 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | | | trans | 82.7 | 113.1 | 179.7 | -172 | 0 | 0 | 0 | 0 | 113.1 | | |
| 159 | S | 30.3 | Very low | 36.3 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | | | cis | 89.5 | 107.7 | 18.5 | -44.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 160 | G | 28.1 | Very low | 36.4 | Very low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | | | trans | 164.5 | 108.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 161 | L | 32.8 | Very low | 36.5 | Very low | 171 Ų | 171 | 126.3 Ų | 126.3 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | | | | 68.1 | 129.1 | 68.9 | -62.7 | 179.5 | 0 | 0 | 0 | 112.9 | | |
| 162 | V | 29.3 | Very low | 36.2 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | | | cis | -165 | 162.2 | -6.1 | 82.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 163 | S | 28.5 | Very low | 35.9 | Very low | 91 Ų | 91 | 125 Ų | 125 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | trans | 64.8 | 115.1 | 154.2 | -68.1 | 0 | 0 | 0 | 0 | 125.3 | | |
| 164 | M | 29 | Very low | 34.7 | Very low | 169 Ų | 169 | 124.9 Ų | 124.9 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | | | | 81.1 | 155.1 | 116.4 | -68.6 | -168.5 | 161.5 | 0 | 0 | 124.8 | | |
| 165 | T | 30.8 | Very low | 35.3 | Very low | 143 Ų | 143 | 123.1 Ų | 123.1 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | | | trans | 87.4 | 158.2 | 167.1 | 71.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 166 | N | 29.9 | Very low | 35.2 | Very low | 163 Ų | 163 | 120.2 Ų | 120.2 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | -145.6 | 156.1 | -158.2 | -136.4 | -2.4 | 0 | 0 | 0 | 111 | | |
| 167 | P | 62.3 | Low | 36.7 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | trans | -109.1 | 164.3 | -157.3 | 41.3 | -37.9 | 0 | 0 | 0 | 117.4 | | |
| 168 | P | 53.2 | Low | 36.6 | Very low | 129 Ų | 129 | 119.9 Ų | 119.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | -96.6 | -175.9 | 158.4 | 39.7 | -34.2 | 0 | 0 | 0 | 112.8 | | |
| 169 | A | 36.8 | Very low | 36.7 | Very low | 100 Ų | 100 | 118 Ų | 118 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -145.9 | 160.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 170 | S | 31.3 | Very low | 36.8 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -169 | 152.3 | 176.3 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 171 | S | 35.1 | Very low | 37.1 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | cis | 88.9 | 131.9 | 13.6 | 79.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 172 | S | 39.5 | Very low | 37 | Very low | 113 Ų | 113 | 117 Ų | 117 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | cis | 178.3 | 147 | -13.3 | 46.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 173 | S | 35.3 | Very low | 37.3 | Very low | 131 Ų | 131 | 116.9 Ų | 116.9 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | | | trans | -157.6 | 161 | 175.9 | 55.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 174 | A | 36.3 | Very low | 37.5 | Very low | 89 Ų | 89 | 117.5 Ų | 117.5 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | | | trans | -137.1 | -173.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 175 | P | 47.2 | Very low | 37.8 | Very low | 131 Ų | 131 | 113.8 Ų | 113.8 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | | -148.5 | -175.8 | 108.6 | 38.8 | -21.5 | 0 | 0 | 0 | 116.5 | | |
| 176 | S | 30.8 | Very low | 38 | Very low | 110 Ų | 110 | 115.8 Ų | 115.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -123.5 | -155.8 | -169.7 | -32.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 177 | P | 59.6 | Low | 38.3 | Very low | 125 Ų | 125 | 113.3 Ų | 113.3 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | cis | -134.5 | 179.2 | -29.8 | 38.3 | -21.6 | 0 | 0 | 0 | 114.3 | | |
| 178 | A | 30.4 | Very low | 38.6 | Very low | 107 Ų | 107 | 113.7 Ų | 113.7 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | | | trans | -153.7 | 156 | 154.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 179 | A | 34 | Very low | 38.8 | Very low | 92 Ų | 92 | 113.7 Ų | 113.7 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | trans | -119.9 | 169.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 180 | S | 32.8 | Very low | 39.1 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | cis | -170.1 | 164.5 | 44.6 | -51.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 181 | S | 33.9 | Very low | 39.1 | Very low | 119 Ų | 119 | 117.3 Ų | 117.3 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | 56.1 | 144.6 | 148.2 | 52.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 182 | A | 31 | Very low | 38.8 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | cis | -156.4 | -177.1 | -6.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 183 | S | 34.7 | Very low | 38.4 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -141.6 | -180 | -177.3 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 184 | A | 33.5 | Very low | 38.5 | Very low | 104 Ų | 104 | 117.7 Ų | 117.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | 109.6 | 131.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 185 | S | 35 | Very low | 39.2 | Very low | 90 Ų | 90 | 119.1 Ų | 119.1 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | | | trans | -91.4 | 178.3 | -170.9 | 58 | 0 | 0 | 0 | 0 | 115.9 | | |
| 186 | Q | 36.2 | Very low | 38.5 | Very low | 186 Ų | 186 | 117.9 Ų | 117.9 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | 94.9 | 159.8 | 151.9 | -70.9 | 166.1 | 80 | 0 | 0 | 119.7 | | |
| 187 | S | 35.3 | Very low | 38.6 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -148.1 | -173.5 | -168.4 | 60.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 188 | P | 68.1 | Low | 37.1 | Very low | 111 Ų | 111 | 119.9 Ų | 119.9 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | | | cis | -122.4 | -156.4 | -10.7 | 38.5 | -18.5 | 0 | 0 | 0 | 112 | | |
| 189 | P | 58.4 | Low | 37.3 | Very low | 129 Ų | 129 | 119.5 Ų | 119.5 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | | -149.5 | -159.9 | 103.3 | 39 | -19.4 | 0 | 0 | 0 | 115.9 | | |
| 190 | L | 42.3 | Very low | 37.5 | Very low | 164 Ų | 164 | 120.5 Ų | 120.5 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | -113.5 | 156.1 | -156.8 | -65.3 | 163.4 | 0 | 0 | 0 | 116.5 | | |
| 191 | S | 32.2 | Very low | 38.7 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -157.9 | -178.5 | 159.5 | -81.5 | 0 | 0 | 0 | 0 | 113 | | |
| 192 | C | 28.4 | Very low | 38.6 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | trans | -154.5 | 174.2 | -135.9 | -74.7 | 0 | 0 | 0 | 0 | 118 | | |
| 193 | A | 30 | Very low | 38.8 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | 80.8 | 159.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 194 | V | 37.4 | Very low | 38.7 | Very low | 134 Ų | 134 | 127 Ų | 127 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -147 | 150.9 | -169.7 | -151.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 195 | P | 51.2 | Low | 38.7 | Very low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | | -148.6 | 144.4 | 111.3 | 35.8 | -18 | 0 | 0 | 0 | 114.1 | | |
| 196 | S | 33.2 | Very low | 38.5 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | | 89.4 | 117.2 | 74.1 | -51.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 197 | N | 33 | Very low | 39.4 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | | | trans | 61.2 | 157.4 | 156.4 | -76.3 | 40.5 | 0 | 0 | 0 | 120.1 | | |
| 198 | D | 28.2 | Very low | 39.3 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | cis | -153.1 | 176.4 | 9.8 | -138.2 | -53.5 | 0 | 0 | 0 | 114.2 | | |
| 199 | S | 34 | Very low | 37.7 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | | | trans | 74.3 | 87.1 | 158.8 | -62 | 0 | 0 | 0 | 0 | 122.9 | | |
| 200 | S | 39.6 | Very low | 36.8 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | | 38.3 | 159.6 | 108.6 | -57.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 201 | P | 58 | Low | 36.8 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | cis | -142.8 | -173 | -34.2 | 41.4 | -24 | 0 | 0 | 0 | 114.1 | | |
| 202 | I | 31.7 | Very low | 37.7 | Very low | 144 Ų | 144 | 125 Ų | 125 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | -179.6 | 123.7 | 133.7 | -87.7 | -97.2 | 0 | 0 | 0 | 109.6 | | |
| 203 | Y | 34.6 | Very low | 37.7 | Very low | 208 Ų | 208 | 125.9 Ų | 125.9 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | | | trans | 39.7 | 120.9 | 164.5 | -77.4 | -109.2 | 0 | 0 | 0 | 120.7 | | |
| 204 | S | 32 | Very low | 37.8 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | cis | 81.5 | 132.3 | 46.9 | -60.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 205 | A | 33.2 | Very low | 37.5 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 88% | 0.876 | 76% | 0.758 | S | S | * | * | | | cis | -155.2 | -168.9 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 206 | A | 32 | Very low | 36.5 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | trans | -113.1 | 177 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 207 | P | 55.5 | Low | 36.6 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | trans | -101.9 | 179 | -164.8 | 40.7 | -36.6 | 0 | 0 | 0 | 115.6 | | |
| 208 | T | 32.3 | Very low | 37.7 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | | | | 165.6 | 135.2 | 104.9 | -39 | 0 | 0 | 0 | 0 | 113.9 | | |
| 209 | F | 33.9 | Very low | 38.1 | Very low | 200 Ų | 200 | 131.5 Ų | 131.5 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | 62.4 | 165 | 165.5 | -71.1 | -53.7 | 0 | 0 | 0 | 118.5 | | |
| 210 | P | 41.1 | Very low | 39.1 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | cis | -130.1 | -165.1 | 8.9 | 45.1 | -28.2 | 0 | 0 | 0 | 115.9 | | |
| 211 | T | 40.5 | Very low | 38.8 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | trans | -96.4 | 172.6 | 158.8 | 52 | 0 | 0 | 0 | 0 | 109.8 | | |
| 212 | P | 51.2 | Low | 37.8 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | cis | -144.7 | -170.3 | 17.9 | 45.4 | -25.4 | 0 | 0 | 0 | 117.9 | | |
| 213 | N | 29.7 | Very low | 38.1 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | | | trans | 77.8 | 140.6 | 147.6 | -75 | -0.6 | 0 | 0 | 0 | 124.5 | | |
| 214 | T | 30.5 | Very low | 38.1 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | | | trans | 61.9 | 112.9 | 144.4 | 53.1 | 0 | 0 | 0 | 0 | 123 | | |
| 215 | D | 31.3 | Very low | 38.2 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | | 48.3 | 129.1 | 125.7 | -49.3 | -54.2 | 0 | 0 | 0 | 123 | | |
| 216 | I | 31 | Very low | 39.1 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | | | | 172.2 | 155.6 | 114.8 | -88.1 | 166.3 | 0 | 0 | 0 | 112.3 | | |
| 217 | F | 34.9 | Very low | 39 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | | | trans | -76.3 | -173.8 | -178.1 | -112.5 | -124.6 | 0 | 0 | 0 | 113.4 | | |
| 218 | P | 56.4 | Low | 38 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | cis | -150.5 | 160.7 | 27.1 | 44.5 | -23.5 | 0 | 0 | 0 | 122 | | |
| 219 | E | 36.3 | Very low | 38.1 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | | | trans | 60 | 169.4 | 140.9 | -87.3 | -126.7 | 94.4 | 0 | 0 | 122.1 | Q221 | E219-Q221 PolarHBondContact OE1-N 3.07Š|
| 220 | P | 56 | Low | 38.1 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | | | cis | -131.8 | 158.9 | 9.4 | 24.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 221 | Q | 33.3 | Very low | 37.9 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | | | trans | 61.6 | 164.1 | 143.3 | -68.4 | 175.5 | 13.3 | 0 | 0 | 122.8 | E219 | E219-Q221 PolarHBondContact OE1-N 3.07Š|
| 222 | S | 37.3 | Very low | 37.6 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | | 177.1 | 125.7 | -61.5 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 223 | Q | 36.2 | Very low | 36.8 | Very low | 203 Ų | 203 | 129.7 Ų | 129.7 | 95% | 0.949 | 77% | 0.774 | S | S | * | * | | | trans | -152.8 | 157.1 | 157.2 | -72.7 | -159.5 | -9.7 | 0 | 0 | 110.2 | | |
| 224 | A | 35.2 | Very low | 37 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | | | trans | -156.3 | 162.7 | -163.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 225 | F | 33.4 | Very low | 37.3 | Very low | 202 Ų | 202 | 136 Ų | 136 | 89% | 0.886 | 78% | 0.784 | S | S | * | * | | | trans | 71 | 154.9 | 166.4 | -56.6 | -69 | 0 | 0 | 0 | 118.8 | | |
| 226 | P | 52.9 | Low | 38.4 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | cis | -112.1 | -176.4 | -6.8 | 41.1 | -30.2 | 0 | 0 | 0 | 113.1 | | |
| 227 | G | 30.6 | Very low | 39.2 | Very low | 61 Ų | 61 | 132.1 Ų | 132.1 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | | | cis | 152.2 | 146 | -13.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 228 | S | 34.8 | Very low | 39.6 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | 80 | 149.7 | 168.2 | 83.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 229 | A | 34.3 | Very low | 38.6 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | | | trans | 57.5 | 126.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 230 | G | 34.1 | Very low | 38.7 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | -145.4 | 164.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 231 | T | 36.5 | Very low | 38.3 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | | | trans | -147.5 | 127.3 | 177.1 | -15.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 232 | A | 33.3 | Very low | 38.6 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -87.4 | 118.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q234 | A232-Q234 PolarHBondContact O-N 3.29Š|
| 233 | L | 34.4 | Very low | 38.4 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | -90 | 87.4 | 174.1 | -71.5 | -179.7 | 0 | 0 | 0 | 111.1 | Y235 | L233-Y235 PolarHBondContact O-N 2.91Š|
| 234 | Q | 35.2 | Very low | 38.7 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | trans | -70.8 | 114.9 | 165.4 | -172.5 | 74.3 | 18.6 | 0 | 0 | 109.3 | A232 | A232-Q234 PolarHBondContact O-N 3.29Š|
| 235 | Y | 35.3 | Very low | 38.6 | Very low | 206 Ų | 206 | 131.1 Ų | 131.1 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 128.2 | 173.4 | -80.9 | -93.8 | 0 | 0 | 0 | 111 | L233 | L233-Y235 PolarHBondContact O-N 2.91Š|
| 236 | P | 54.3 | Low | 39.1 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 155.6 | 174.3 | 33.7 | -34.6 | 0 | 0 | 0 | 112.2 | | |
| 237 | P | 48.5 | Very low | 38 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 154.3 | 172.6 | 31 | -35.4 | 0 | 0 | 0 | 112 | A239 | P237-A239 PolarHBondContact O-N 2.76Š|
| 238 | P | 44.3 | Very low | 38.1 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 130.8 | -176.2 | 28 | -34.9 | 0 | 0 | 0 | 112.6 | | |
| 239 | A | 35.6 | Very low | 38 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 139.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P237 | P237-A239 PolarHBondContact O-N 2.76Š|
| 240 | Y | 38.2 | Very low | 38 | Very low | 224 Ų | 224 | 135 Ų | 135 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 133 | 171 | -68.4 | -86.8 | 0 | 0 | 0 | 110.7 | A242 | Y240-A242 PolarHBondContact O-N 3.45Š|
| 241 | P | 46.1 | Very low | 37.8 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 121.9 | 177.8 | 29 | -33.4 | 0 | 0 | 0 | 111.7 | A243 | P241-A243 PolarHBondContact O-N 3.43Å; P241-A243 VanDerWaalsContact O-N 3.11Å |
| 242 | A | 40 | Very low | 37.8 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -78.1 | 91.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y240 K244 | Y240-A242 PolarHBondContact O-N 3.45Å; A242-K244 PolarHBondContact O-N 2.88Å |
| 243 | A | 33.2 | Very low | 38.1 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -75 | 109.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | P241 G245 | P241-A243 PolarHBondContact O-N 3.43Å; P241-A243 VanDerWaalsContact O-N 3.11Å; A243-G245 PolarHBondContact O-N 3.46Å |
| 244 | K | 42.5 | Very low | 38 | Very low | 222 Ų | 222 | 138.7 Ų | 138.7 | 97% | 0.965 | 80% | 0.795 | S | S | * | * | | | trans | -73.9 | 107.7 | 163.8 | -71.9 | -177.6 | 178.7 | 179 | 0 | 109.1 | A242 | A242-K244 PolarHBondContact O-N 2.88Š|
| 245 | G | 32.7 | Very low | 38 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | -157.2 | 115.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | A243 F247 | A243-G245 PolarHBondContact O-N 3.46Å; G245-F247 PolarHBondContact O-N 3.43Å |
| 246 | G | 44.3 | Very low | 38 | Very low | 85 Ų | 85 | 137 Ų | 137 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | | | trans | -75.1 | 115 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 247 | F | 30 | Very low | 37 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | | | trans | -131.7 | 115.3 | 165.8 | -134.2 | -92.7 | 0 | 0 | 0 | 108.6 | G245 V249 | G245-F247 PolarHBondContact O-N 3.43Å; F247-V249 PolarHBondContact O-N 3.44Å |
| 248 | Q | 33.4 | Very low | 36.5 | Very low | 192 Ų | 192 | 140 Ų | 140 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | -73.8 | 100.8 | 179.3 | -77.6 | 175.7 | -26.8 | 0 | 0 | 109.6 | | |
| 249 | V | 32.2 | Very low | 36 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | | | trans | -66.8 | 127.1 | 157.2 | -178 | 0 | 0 | 0 | 0 | 106.7 | F247 M251 | F247-V249 PolarHBondContact O-N 3.44Å; V249-M251 PolarHBondContact O-N 3.3Å |
| 250 | P | 33.5 | Very low | 35.9 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | | | trans | -65.6 | 110.3 | 172.6 | 26.6 | -32.4 | 0 | 0 | 0 | 108.6 | I252 | P250-I252 PolarHBondContact O-N 3.42Š|
| 251 | M | 30.5 | Very low | 35.6 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | | | trans | -57.8 | 112.3 | 167.1 | -76.5 | -67.6 | -161.4 | 0 | 0 | 108 | V249 | V249-M251 PolarHBondContact O-N 3.3Š|
| 252 | I | 37.1 | Very low | 34.9 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | | | trans | -66.2 | 126.1 | 163.4 | -59.5 | 175.6 | 0 | 0 | 0 | 105.1 | P250 D254 | P250-I252 PolarHBondContact O-N 3.42Å; I252-D254 PolarHBondContact O-N 3.49Å |
| 253 | P | 38.5 | Very low | 34.3 | Very low | 87 Ų | 87 | 146 Ų | 146 | 57% | 0.565 | 80% | 0.8 | S | S | * | * | | | trans | -61 | 136.3 | -172.8 | 23.8 | -34.1 | 0 | 0 | 0 | 111 | Y255 | P253-Y255 HydrophobicContact CG-CE2 4.23Å; P253-Y255 WeakPolarHBondContact O-CD2 3.45Å; P253-Y255 PolarHBondContact O-N 2.95Å |
| 254 | D | 31.8 | Very low | 34.6 | Very low | 148 Ų | 148 | 148.8 Ų | 148.8 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -60.8 | 108.3 | 167.6 | -76.9 | -60.7 | 0 | 0 | 0 | 108.9 | I252 L256 | I252-D254 PolarHBondContact O-N 3.49Å; D254-L256 PolarHBondContact O-N 2.91Å |
| 255 | Y | 35.3 | Very low | 33.9 | Very low | 185 Ų | 185 | 141.9 Ų | 141.9 | 73% | 0.725 | 79% | 0.793 | S | S | * | * | | | trans | -70.8 | 82.4 | 171.6 | -81.5 | -92.1 | 0 | 0 | 0 | 109.1 | P253 F257 | P253-Y255 HydrophobicContact CG-CE2 4.23Å; P253-Y255 WeakPolarHBondContact O-CD2 3.45Å; P253-Y255 PolarHBondContact O-N 2.95Å; Y255-F257 WeakPolarHBondContact O-CD2 3.5Å; Y255-F257 PolarHBondContact O-N 3.28Å; Y255-F257 VanDerWaalsContact O-N 3.1Å |
| 256 | L | 35 | Very low | 34.1 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | | | trans | -54.8 | 110.5 | 173.8 | -76.1 | 165 | 0 | 0 | 0 | 110 | D254 | D254-L256 PolarHBondContact O-N 2.91Š|
| 257 | F | 35.1 | Very low | 33.4 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | | | trans | -75.7 | 134.4 | 168.9 | -81 | -93.4 | 0 | 0 | 0 | 109.6 | Y255 Q259 | Y255-F257 WeakPolarHBondContact O-CD2 3.5Å; Y255-F257 PolarHBondContact O-N 3.28Å; Y255-F257 VanDerWaalsContact O-N 3.1Å; F257-Q259 PolarHBondContact O-N 3.39Å |
| 258 | P | 38.3 | Very low | 33.6 | Very low | 123 Ų | 123 | 144 Ų | 144 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | trans | -60.8 | 118.9 | 176.8 | -25.1 | 34.9 | 0 | 0 | 0 | 112.1 | Q260 | P258-Q260 PolarHBondContact O-N 3.36Š|
| 259 | Q | 33.5 | Very low | 33.8 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | -85.2 | 106.8 | 175 | -174.7 | 170 | -14.3 | 0 | 0 | 108.8 | F257 Q261 | F257-Q259 PolarHBondContact O-N 3.39Å; Q259-Q261 PolarHBondContact O-N 3.12Å |
| 260 | Q | 33.3 | Very low | 33.7 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -64.8 | 107 | 179.6 | -75.6 | -174.7 | -25.7 | 0 | 0 | 111 | P258 | P258-Q260 PolarHBondContact O-N 3.36Š|
| 261 | Q | 32.2 | Very low | 33.6 | Very low | 190 Ų | 190 | 144.6 Ų | 144.6 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -78.6 | 116 | 163.7 | -68.3 | 175.5 | -82.6 | 0 | 0 | 108.4 | Q259 D263 | Q259-Q261 PolarHBondContact O-N 3.12Å; Q261-D263 PolarHBondContact O-N 3.46Å |
| 262 | G | 30.3 | Very low | 33.4 | Very low | 75 Ų | 75 | 145.1 Ų | 145.1 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -84.3 | 105.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 263 | D | 27.1 | Very low | 33.7 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | | | trans | -81.4 | 138.4 | 178.4 | -148.9 | -30.8 | 0 | 0 | 0 | 111.2 | Q261 G265 | Q261-D263 PolarHBondContact O-N 3.46Å; D263-G265 PolarHBondContact O-N 3.02Å |
| 264 | L | 39 | Very low | 33.1 | Very low | 159 Ų | 159 | 149 Ų | 149 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | trans | -98.5 | 70.9 | -171.1 | -76.7 | 173.9 | 0 | 0 | 0 | 111.4 | L266 | L264-L266 PolarHBondContact O-N 3.13Š|
| 265 | G | 29.6 | Very low | 33 | Very low | 77 Ų | 77 | 150.5 Ų | 150.5 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | -65 | 98.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | D263 G267 | D263-G265 PolarHBondContact O-N 3.02Å; G265-G267 PolarHBondContact O-N 3.14Å |
| 266 | L | 36.7 | Very low | 32.6 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | | | trans | -68.8 | 115.1 | 168.5 | -81.3 | 164.9 | 0 | 0 | 0 | 110.3 | L264 | L264-L266 PolarHBondContact O-N 3.13Š|
| 267 | G | 29.2 | Very low | 32.4 | Very low | 69 Ų | 69 | 145.5 Ų | 145.5 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | | | trans | -133.6 | 115.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G265 | G265-G267 PolarHBondContact O-N 3.14Š|
| 268 | T | 34.2 | Very low | 32.2 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | trans | -87.5 | 130.9 | 178 | 47.7 | 0 | 0 | 0 | 0 | 112 | | |
| 269 | P | 37.5 | Very low | 31.8 | Very low | 124 Ų | 124 | 145 Ų | 145 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | | | trans | -94.6 | 136.2 | 160.8 | 34 | -28.7 | 0 | 0 | 0 | 111.3 | | |
| 270 | D | 29.1 | Very low | 31.7 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | | | trans | -88.2 | -168.7 | 177.3 | -142 | -47.9 | 0 | 0 | 0 | 112.4 | | |
| 271 | Q | 31.4 | Very low | 31.4 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -87.1 | 143.3 | -155.2 | -68.4 | 159.6 | 71.5 | 0 | 0 | 116.8 | | |
| 272 | K | 27.7 | Very low | 31.3 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 81% | 0.809 | 80% | 0.802 | S | S | * | * | | | trans | 12.6 | 154.1 | 132.9 | -79.2 | -179.4 | 179.1 | 176.5 | 0 | 119.6 | | |
| 273 | P | 43.3 | Very low | 31.5 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | | | cis | -152.1 | 153.8 | 40.4 | 35.7 | -12.6 | 0 | 0 | 0 | 121.2 | | |
| 274 | F | 26.4 | Very low | 31.8 | Very low | 187 Ų | 187 | 146 Ų | 146 | 82% | 0.82 | 81% | 0.805 | S | S | * | * | | | trans | 65.3 | 164.1 | 145.6 | -83.5 | -115.4 | 0 | 0 | 0 | 118.9 | | |
| 275 | Q | 29.1 | Very low | 31.2 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | | | cis | -136.9 | 159.6 | 14.1 | -61.9 | 174.7 | 1.7 | 0 | 0 | 113.4 | | |
| 276 | G | 27 | Very low | 31.5 | Very low | 78 Ų | 78 | 147.2 Ų | 147.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | 78.9 | 142.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 277 | L | 31.2 | Very low | 31.3 | Very low | 164 Ų | 164 | 145 Ų | 145 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | cis | -141.8 | 154.9 | -1.6 | -169.1 | 70.1 | 0 | 0 | 0 | 109.7 | | |
| 278 | E | 30.6 | Very low | 31.9 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -73.6 | 151.3 | -178.5 | -64.4 | 143.1 | 110 | 0 | 0 | 112.4 | | |
| 279 | S | 30.2 | Very low | 32.1 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | | -160.3 | 149.7 | 62.8 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 280 | R | 30.2 | Very low | 32.3 | Very low | 229 Ų | 229 | 147.4 Ų | 147.4 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | | 55.2 | 128.8 | 70.6 | -111.3 | -171.1 | 176.7 | -179.2 | -0.8 | 112.3 | | |
| 281 | T | 26.7 | Very low | 32.8 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 59% | 0.589 | 79% | 0.794 | S | S | * | * | | | cis | -156 | 128.3 | 24 | -60.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 282 | Q | 31.1 | Very low | 33.4 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | trans | 44.7 | 150.1 | 145.6 | -58 | 165.9 | -12.9 | 0 | 0 | 123.9 | | |
| 283 | Q | 34.9 | Very low | 33.8 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -73.9 | 153.3 | 155.5 | -60.4 | 175.2 | -37.7 | 0 | 0 | 111.4 | | |
| 284 | P | 33 | Very low | 33.5 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | | | trans | -95 | 154.4 | 157.1 | 35.9 | -30.9 | 0 | 0 | 0 | 112.2 | | |
| 285 | S | 26.4 | Very low | 33.8 | Very low | 106 Ų | 106 | 147.1 Ų | 147.1 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | trans | -125.8 | 133.7 | -175.6 | 48.8 | 0 | 0 | 0 | 0 | 114 | | |
| 286 | L | 35.5 | Very low | 34 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | | | trans | 66.8 | 145.6 | 150.6 | -58.9 | 170.5 | 0 | 0 | 0 | 122.1 | | |
| 287 | T | 33.6 | Very low | 34.7 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | | | trans | 80.6 | 167.2 | 160.6 | 83.4 | 0 | 0 | 0 | 0 | 117 | | |
| 288 | P | 40.6 | Very low | 35.1 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | | | | -131 | 167.7 | -100 | 31.4 | -9.2 | 0 | 0 | 0 | 116.4 | S290 | P288-S290 PolarHBondContact O-N 3.32Å; P288-S290 VanDerWaalsContact O-N 3.14Å; P288-S290 PolarHBondContact O-OG 3.2Å |
| 289 | L | 39.5 | Very low | 35.6 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | | | trans | -57.6 | 114 | 175.3 | -91.1 | 71.2 | 0 | 0 | 0 | 112.1 | | |
| 290 | S | 40.7 | Very low | 35.9 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -155.1 | -18.7 | 169.6 | 47.2 | 0 | 0 | 0 | 0 | 116.8 | P288 | P288-S290 PolarHBondContact O-N 3.32Å; P288-S290 VanDerWaalsContact O-N 3.14Å; P288-S290 PolarHBondContact O-OG 3.2Å |
| 291 | T | 40.4 | Very low | 37 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -124.1 | 22.7 | -158.4 | -24.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 292 | I | 42.7 | Very low | 38.1 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | -127.1 | 90.9 | 170.9 | -52.3 | -177.3 | 0 | 0 | 0 | 111.7 | | |
| 293 | K | 37.7 | Very low | 39.2 | Very low | 215 Ų | 215 | 136.1 Ų | 136.1 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | | | trans | -143.4 | 90.1 | 161.5 | -110.9 | -167 | 178.4 | -176.2 | 0 | 108.8 | | |
| 294 | A | 35.8 | Very low | 39.9 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | | | trans | -161.2 | 151.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 295 | F | 33 | Very low | 40.7 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | | | trans | 61 | 98.5 | 176.6 | -57.4 | -76.1 | 0 | 0 | 0 | 115.7 | | |
| 296 | A | 32.5 | Very low | 41.9 | Very low | 78 Ų | 78 | 134 Ų | 134 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | | | | 84.4 | 91.3 | 70.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 297 | T | 42.5 | Very low | 42.5 | Very low | 133 Ų | 133 | 132 Ų | 132 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | | | | 65.8 | 96 | 85.7 | 62.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 298 | Q | 40.2 | Very low | 43.2 | Very low | 190 Ų | 190 | 129.9 Ų | 129.9 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | | | trans | -165.2 | 142.8 | 140.2 | -114.1 | 173.4 | 7.9 | 0 | 0 | 113.1 | | |
| 299 | S | 39.7 | Very low | 43.7 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 90% | 0.895 | 73% | 0.731 | S | S | * | * | | | trans | 65.6 | 163.7 | 168.6 | 78.6 | 0 | 0 | 0 | 0 | 119 | | |
| 300 | G | 38.3 | Very low | 44.2 | Very low | 52 Ų | 52 | 123.7 Ų | 123.7 | 54% | 0.536 | 71% | 0.706 | S | S | . | * | | | trans | 100.8 | 34.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | Q302 | G300-Q302 PolarHBondContact O-N 2.78Š|
| 301 | S | 51.7 | Low | 44.3 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 39.9 | -176.5 | 69.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 302 | Q | 50.4 | Low | 44.7 | Very low | 171 Ų | 171 | 125.2 Ų | 125.2 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | -32 | 176.5 | -68.2 | -170.8 | -9.9 | 0 | 0 | 113.6 | G300 L304 | G300-Q302 PolarHBondContact O-N 2.78Å; Q302-L304 VanDerWaalsContact C-N 3.25Å; Q302-L304 PolarHBondContact O-N 3.35Å |
| 303 | D | 53.4 | Low | 45.1 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 56% | 0.556 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.3 | -14.1 | -176.1 | -66.7 | -58 | 0 | 0 | 0 | 115.1 | K305 A306 L307 | D303-K305 PolarHBondContact O-N 2.83Å; D303-A306 WeakPolarHBondContact O-CB 3.45Å; D303-A306 PolarHBondContact O-N 3.16Å; D303-L307 PolarHBondContact O-N 2.79Å |
| 304 | L | 50.6 | Low | 45.5 | Very low | 137 Ų | 137 | 117.6 Ų | 117.6 | 72% | 0.717 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -62.2 | -25.8 | 179.9 | -81.2 | 164.7 | 0 | 0 | 0 | 113.8 | Q302 N308 | Q302-L304 VanDerWaalsContact C-N 3.25Å; Q302-L304 PolarHBondContact O-N 3.35Å; L304-N308 VanDerWaalsContact O-CB 3.31Å; L304-N308 WeakPolarHBondContact O-CB 3.22Å; L304-N308 PolarHBondContact O-N 3.19Å |
| 305 | K | 49.9 | Very low | 46.1 | Very low | 178 Ų | 178 | 119 Ų | 119 | 77% | 0.774 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.7 | -36 | 170.2 | -89.9 | -175.3 | 174.7 | 178.3 | 0 | 112.6 | D303 T309 | D303-K305 PolarHBondContact O-N 2.83Å; K305-T309 WeakPolarHBondContact O-CB 3.43Å; K305-T309 PolarHBondContact O-N 3.23Å; K305-T309 VanDerWaalsContact O-N 3.07Å; K305-T309 PolarHBondContact O-OG1 3.32Å |
| 306 | A | 50.6 | Low | 46.6 | Very low | 60 Ų | 60 | 116.4 Ų | 116.4 | 50% | 0.496 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.4 | -46.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D303 T309 S310 | D303-A306 WeakPolarHBondContact O-CB 3.45Å; D303-A306 PolarHBondContact O-N 3.16Å; A306-T309 WeakPolarHBondContact O-CB 3.48Å; A306-T309 PolarHBondContact O-N 3.08Å; A306-S310 PolarHBondContact O-N 3.49Å |
| 307 | L | 48.9 | Very low | 47 | Very low | 115 Ų | 115 | 121.1 Ų | 121.1 | 60% | 0.602 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.2 | -40.5 | 177.4 | -77 | 168.4 | 0 | 0 | 0 | 112.8 | D303 T309 S310 Y311 | D303-L307 PolarHBondContact O-N 2.79Å; L307-T309 VanDerWaalsContact C-N 3.32Å; L307-T309 PolarHBondContact O-N 3.29Å; L307-S310 PolarHBondContact O-N 3.32Å; L307-Y311 WeakPolarHBondContact O-CB 3.23Å; L307-Y311 PolarHBondContact O-N 3.4Å |
| 308 | N | 47.4 | Very low | 46.8 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 48% | 0.481 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.8 | -37.4 | 173.8 | -166.9 | 11.4 | 0 | 0 | 0 | 111.2 | L304 Y311 Q312 | L304-N308 VanDerWaalsContact O-CB 3.31Å; L304-N308 WeakPolarHBondContact O-CB 3.22Å; L304-N308 PolarHBondContact O-N 3.19Å; N308-Y311 PolarHBondContact O-N 2.99Å; N308-Q312 WeakPolarHBondContact O-CB 3.49Å; N308-Q312 WeakPolarHBondContact O-CG 3.32Å; N308-Q312 PolarHBondContact O-N 2.95Å; N308-Q312 WeakPolarHBondContact OD1-CG 3.15Å; N308-Q312 PolarHBondContact OD1-NE2 3.09Å |
| 309 | T | 50.8 | Low | 46.8 | Very low | 93 Ų | 93 | 117.2 Ų | 117.2 | 57% | 0.571 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -62.2 | -45.3 | 173.9 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | K305 A306 L307 Y311 Q312 S313 | K305-T309 WeakPolarHBondContact O-CB 3.43Å; K305-T309 PolarHBondContact O-N 3.23Å; K305-T309 VanDerWaalsContact O-N 3.07Å; K305-T309 PolarHBondContact O-OG1 3.32Å; A306-T309 WeakPolarHBondContact O-CB 3.48Å; A306-T309 PolarHBondContact O-N 3.08Å; L307-T309 VanDerWaalsContact C-N 3.32Å; L307-T309 PolarHBondContact O-N 3.29Å; T309-Y311 PolarHBondContact O-N 3.09Å; T309-Q312 PolarHBondContact O-N 3.05Å; T309-S313 PolarHBondContact O-N 2.79Å; T309-S313 PolarHBondContact O-OG 3.04Å; T309-S313 VanDerWaalsContact O-OG 3.13Å |
| 310 | S | 49.9 | Very low | 47.1 | Very low | 61 Ų | 61 | 122.7 Ų | 122.7 | 43% | 0.427 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -59 | -42.6 | 174.2 | -177.2 | 0 | 0 | 0 | 0 | 112.9 | A306 L307 S313 Q314 | A306-S310 PolarHBondContact O-N 3.49Å; L307-S310 PolarHBondContact O-N 3.32Å; S310-S313 PolarHBondContact O-N 3.31Å; S310-Q314 WeakPolarHBondContact O-CG 3.46Å; S310-Q314 PolarHBondContact O-N 3.45Å; S310-Q314 PolarHBondContact O-NE2 3.44Å |
| 311 | Y | 43.3 | Very low | 47 | Very low | 152 Ų | 152 | 129 Ų | 129 | 60% | 0.596 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.6 | -41.8 | -179.7 | -162.6 | -99.7 | 0 | 0 | 0 | 112.5 | L307 N308 T309 S313 Q314 L315 | L307-Y311 WeakPolarHBondContact O-CB 3.23Å; L307-Y311 PolarHBondContact O-N 3.4Å; N308-Y311 PolarHBondContact O-N 2.99Å; T309-Y311 PolarHBondContact O-N 3.09Å; Y311-S313 VanDerWaalsContact C-N 3.32Å; Y311-S313 PolarHBondContact O-N 3.1Å; Y311-Q314 PolarHBondContact O-N 3.05Å; Y311-Q314 VanDerWaalsContact O-N 3.12Å; Y311-L315 HydrophobicContact CD1-CD1 4.4Å; Y311-L315 HydrophobicContact CE1-CD1 4.31Å; Y311-L315 PolarHBondContact O-N 2.9Å |
| 312 | Q | 49 | Very low | 46.9 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 53% | 0.528 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -67.1 | -31.8 | 176.1 | -65.2 | -65.3 | -25.3 | 0 | 0 | 112.3 | N308 T309 Q314 L315 | N308-Q312 WeakPolarHBondContact O-CB 3.49Å; N308-Q312 WeakPolarHBondContact O-CG 3.32Å; N308-Q312 PolarHBondContact O-N 2.95Å; N308-Q312 WeakPolarHBondContact OD1-CG 3.15Å; N308-Q312 PolarHBondContact OD1-NE2 3.09Å; T309-Q312 PolarHBondContact O-N 3.05Å; Q312-Q314 PolarHBondContact O-N 2.88Å; Q312-L315 PolarHBondContact O-N 3.09Å |
| 313 | S | 51.5 | Low | 46.8 | Very low | 88 Ų | 88 | 135 Ų | 135 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65.8 | -22.9 | 171.8 | -67.5 | 0 | 0 | 0 | 0 | 113.7 | T309 S310 Y311 | T309-S313 PolarHBondContact O-N 2.79Å; T309-S313 PolarHBondContact O-OG 3.04Å; T309-S313 VanDerWaalsContact O-OG 3.13Å; S310-S313 PolarHBondContact O-N 3.31Å; Y311-S313 VanDerWaalsContact C-N 3.32Å; Y311-S313 PolarHBondContact O-N 3.1Å |
| 314 | Q | 45.6 | Very low | 45.9 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 65% | 0.645 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -86.1 | -17.7 | 176.6 | -67.4 | 175 | 48.1 | 0 | 0 | 112.9 | S310 Y311 Q312 I316 | S310-Q314 WeakPolarHBondContact O-CG 3.46Å; S310-Q314 PolarHBondContact O-N 3.45Å; S310-Q314 PolarHBondContact O-NE2 3.44Å; Y311-Q314 PolarHBondContact O-N 3.05Å; Y311-Q314 VanDerWaalsContact O-N 3.12Å; Q312-Q314 PolarHBondContact O-N 2.88Å; Q314-I316 PolarHBondContact O-N 3.41Å |
| 315 | L | 49.6 | Very low | 45.8 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 54% | 0.539 | 69% | 0.688 | S | S | . | * | | | trans | -79.7 | 59.2 | 174.3 | -67.4 | 177.2 | 0 | 0 | 0 | 112.1 | Y311 Q312 K317 | Y311-L315 HydrophobicContact CD1-CD1 4.4Å; Y311-L315 HydrophobicContact CE1-CD1 4.31Å; Y311-L315 PolarHBondContact O-N 2.9Å; Q312-L315 PolarHBondContact O-N 3.09Å; L315-K317 PolarHBondContact O-N 3.32Å; L315-K317 VanDerWaalsContact O-N 3.14Å |
| 316 | I | 43 | Very low | 45.5 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | | | trans | -60.5 | 116.6 | 169.6 | -60.8 | 177.8 | 0 | 0 | 0 | 108.4 | Q314 | Q314-I316 PolarHBondContact O-N 3.41Š|
| 317 | K | 40.6 | Very low | 44.9 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 77% | 0.774 | 71% | 0.708 | S | S | * | * | | | trans | -48.6 | 132.5 | -179 | -62.1 | 172 | -176.7 | 174.3 | 0 | 110.6 | L315 S319 | L315-K317 PolarHBondContact O-N 3.32Å; L315-K317 VanDerWaalsContact O-N 3.14Å; K317-S319 PolarHBondContact O-N 2.91Å |
| 318 | P | 39.1 | Very low | 44.6 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | | | trans | -64.9 | 94.4 | -178.9 | 25.9 | -34.2 | 0 | 0 | 0 | 110.6 | R320 | P318-R320 PolarHBondContact O-N 2.85Š|
| 319 | S | 39.3 | Very low | 44.3 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | | | trans | -65.2 | 123.8 | 176.8 | -70 | 0 | 0 | 0 | 0 | 108.9 | K317 M321 | K317-S319 PolarHBondContact O-N 2.91Å; S319-M321 PolarHBondContact O-N 3.25Å |
| 320 | R | 46 | Very low | 44.3 | Very low | 243 Ų | 243 | 151 Ų | 151 | 92% | 0.917 | 74% | 0.739 | S | S | * | * | | | trans | -21.9 | 112.4 | -176.2 | -79 | 179.4 | 167.8 | 172.8 | -4.4 | 113.1 | P318 R322 | P318-R320 PolarHBondContact O-N 2.85Å; R320-R322 PolarHBondContact O-N 3.03Å; R320-R322 VanDerWaalsContact O-N 3.16Å |
| 321 | M | 37.3 | Very low | 44 | Very low | 185 Ų | 185 | 153 Ų | 153 | 91% | 0.911 | 75% | 0.749 | S | S | * | * | | | trans | -53.6 | 124.5 | 176.2 | -61.2 | -152.2 | 85.9 | 0 | 0 | 110.2 | S319 K323 | S319-M321 PolarHBondContact O-N 3.25Å; M321-K323 PolarHBondContact O-N 3.34Å |
| 322 | R | 48.4 | Very low | 44.3 | Very low | 218 Ų | 218 | 149.2 Ų | 149.2 | 82% | 0.823 | 74% | 0.743 | S | S | * | * | | | trans | -63.1 | 127.8 | 162.4 | -67.9 | -173.5 | 179.8 | -167.7 | 1.7 | 106.4 | R320 Y324 | R320-R322 PolarHBondContact O-N 3.03Å; R320-R322 VanDerWaalsContact O-N 3.16Å; R322-Y324 PolarHBondContact O-N 2.83Å |
| 323 | K | 47.7 | Very low | 44.6 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -68.1 | 8.4 | -168.5 | -150.4 | 178.3 | 179.1 | -177.9 | 0 | 115 | M321 | M321-K323 PolarHBondContact O-N 3.34Š|
| 324 | Y | 34.4 | Very low | 45.2 | Very low | 193 Ų | 193 | 152.1 Ų | 152.1 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -140.1 | 120.5 | 170.7 | -59 | -76.1 | 0 | 0 | 0 | 107.7 | R322 | R322-Y324 PolarHBondContact O-N 2.83Š|
| 325 | P | 50.5 | Low | 46.5 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 146.4 | 167.8 | 28.6 | -33.2 | 0 | 0 | 0 | 109.2 | R327 | P325-R327 PolarHBondContact O-N 2.97Å; P325-R327 VanDerWaalsContact O-N 3.08Å |
| 326 | N | 41.9 | Very low | 48 | Very low | 154 Ų | 154 | 151.7 Ų | 151.7 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 116.6 | 179.3 | -78.7 | -33.7 | 0 | 0 | 0 | 110 | | |
| 327 | R | 38.1 | Very low | 50.1 | Low | 230 Ų | 230 | 148.5 Ų | 148.5 | 87% | 0.868 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 124.6 | 165 | -171.4 | -176.7 | -169.6 | -157.2 | 3.8 | 107.3 | P325 S329 | P325-R327 PolarHBondContact O-N 2.97Å; P325-R327 VanDerWaalsContact O-N 3.08Å; R327-S329 PolarHBondContact O-N 3.28Å |
| 328 | P | 42.3 | Very low | 52.4 | Low | 108 Ų | 108 | 143.5 Ų | 143.5 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 126.7 | -179.1 | 22.7 | -32.3 | 0 | 0 | 0 | 109.7 | K330 | P328-K330 PolarHBondContact O-N 3.05Š|
| 329 | S | 41.7 | Very low | 54.9 | Low | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 69% | 0.691 | S | S | * | * | | | trans | -76.6 | 66.3 | -169.7 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | R327 T331 | R327-S329 PolarHBondContact O-N 3.28Å; S329-T331 PolarHBondContact O-N 3.16Å; S329-T331 PolarHBondContact OG-OG1 3.41Å |
| 330 | K | 50.6 | Low | 57.5 | Low | 206 Ų | 206 | 135 Ų | 135 | 90% | 0.896 | 66% | 0.66 | S | S | * | * | | | trans | -76.5 | 67.4 | 165 | -72.3 | -167.5 | 174.7 | -172.3 | 0 | 110.2 | P328 | P328-K330 PolarHBondContact O-N 3.05Š|
| 331 | T | 44.9 | Very low | 59.5 | Low | 102 Ų | 102 | 127.5 Ų | 127.5 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -135 | 136.3 | 171 | 51.3 | 0 | 0 | 0 | 0 | 109.2 | S329 | S329-T331 PolarHBondContact O-N 3.16Å; S329-T331 PolarHBondContact OG-OG1 3.41Å |
| 332 | P | 49.7 | Very low | 62.1 | Low | 73 Ų | 73 | 120.7 Ų | 120.7 | 47% | 0.474 | 61% | 0.611 | S | S | . | * | | | trans | -60.8 | 162 | 177.9 | 24.9 | -34.2 | 0 | 0 | 0 | 113 | H334 E335 | P332-H334 PolarHBondContact O-N 3.34Å; P332-E335 HydrophobicContact CB-CG 4.5Å; P332-E335 VanDerWaalsContact CG-CD 3.46Å; P332-E335 HydrophobicContact CG-CG 4.17Å; P332-E335 WeakPolarHBondContact CG-OE1 3.38Å |
| 333 | P | 54.8 | Low | 63.8 | Low | 127 Ų | 127 | 119.2 Ų | 119.2 | 83% | 0.825 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 104.5 | -168 | 26.9 | -35.5 | 0 | 0 | 0 | 113.2 | E335 | P333-E335 VanDerWaalsContact C-N 3.33Å; P333-E335 PolarHBondContact O-N 3.06Å |
| 334 | H | 62.9 | Low | 65.8 | Low | 134 Ų | 134 | 114.9 Ų | 114.9 | 62% | 0.62 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.5 | 48.8 | 167.3 | -159.3 | -58.5 | 0 | 0 | 0 | 114.3 | P332 R336 | P332-H334 PolarHBondContact O-N 3.34Å; H334-R336 WeakPolarHBondContact ND1-CG 3.39Å; H334-R336 PolarHBondContact O-N 3.1Å |
| 335 | E | 72.8 | Confident | 68.5 | Low | 122 Ų | 122 | 106.5 Ų | 106.5 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | | | trans | -57.3 | 133.5 | 168.8 | -70.2 | 179.5 | -177.9 | 0 | 0 | 110.3 | P332 P333 P337 | P332-E335 HydrophobicContact CB-CG 4.5Å; P332-E335 VanDerWaalsContact CG-CD 3.46Å; P332-E335 HydrophobicContact CG-CG 4.17Å; P332-E335 WeakPolarHBondContact CG-OE1 3.38Å; P333-E335 VanDerWaalsContact C-N 3.33Å; P333-E335 PolarHBondContact O-N 3.06Å; E335-P337 HydrophobicContact CB-CG 4.39Å |
| 336 | R | 82.5 | Confident | 70.4 | Confident | 111 Ų | 111 | 108.2 Ų | 108.2 | 42% | 0.419 | 58% | 0.579 | S | S | . | * | | | trans | -120.3 | 75.8 | 172.3 | -60.2 | 174.5 | 85.6 | 132.4 | -2.6 | 107.7 | H334 Y338 R348 F349 | H334-R336 WeakPolarHBondContact ND1-CG 3.39Å; H334-R336 PolarHBondContact O-N 3.1Å; R336-Y338 PolarHBondContact O-N 2.88Å; R336-R348 HydrophobicContact CB-CB 3.7Å; R336-R348 PolarHBondContact NE-O 3.01Å; R336-R348 PolarHBondContact NH2-O 3.19Å; R336-R348 PolarHBondContact O-NE 3.41Å; R336-R348 PolarHBondContact O-NH2 3.5Å; R336-F349 CarbonylContact C-O 3.59Å; R336-F349 WeakPolarHBondContact CA-O 3.22Å |
| 337 | P | 86.1 | Confident | 72.6 | Confident | 77 Ų | 77 | 107.9 Ų | 107.9 | 50% | 0.5 | 57% | 0.567 | S | S | . | * | | | trans | -65.6 | -31.9 | -171.5 | -19.7 | 33.4 | 0 | 0 | 0 | 111.9 | E335 A339 | E335-P337 HydrophobicContact CB-CG 4.39Å; P337-A339 PolarHBondContact O-N 2.98Å; P337-A339 VanDerWaalsContact O-N 3.17Å |
| 338 | Y | 90.1 | Very high | 75.3 | Confident | 73 Ų | 73 | 103.4 Ų | 103.4 | 29% | 0.286 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 87.1 | -171.2 | -53.6 | -75.7 | 0 | 0 | 0 | 110.7 | R336 R348 F349 | R336-Y338 PolarHBondContact O-N 2.88Å; Y338-R348 CarbonylContact O-C 3.12Å; Y338-R348 WeakPolarHBondContact O-CA 3.32Å; Y338-F349 PolarHBondContact N-O 3.42Å; Y338-F349 PolarHBondContact O-N 3.29Å |
| 339 | A | 91 | Very high | 77.6 | Confident | 49 Ų | 49 | 99.6 Ų | 99.6 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 155.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P337 P341 R348 L355 | P337-A339 PolarHBondContact O-N 2.98Å; P337-A339 VanDerWaalsContact O-N 3.17Å; A339-P341 WeakPolarHBondContact O-CD 3.46Å; A339-R348 HydrophobicContact CB-CG 4.07Å; A339-L355 WeakPolarHBondContact O-CD1 3.35Å; A339-L355 VanDerWaalsContact O-CD2 3.26Å; A339-L355 WeakPolarHBondContact O-CD2 3.23Å |
| 340 | C | 93.9 | Very high | 80 | Confident | 14 Ų | 14 | 97.6 Ų | 97.6 | 10% | 0.095 | 51% | 0.508 | C | S | . | . | | | trans | -74.2 | 128.6 | 170.1 | -162.5 | 0 | 0 | 0 | 0 | 110.5 | V342 C345 R347 L355 H358 H362 | C340-V342 PolarHBondContact O-N 3.23Å; C340-C345 HydrophobicContact CB-CB 4.48Å; C340-C345 WeakPolarHBondContact CB-O 3.23Å; C340-R347 WeakPolarHBondContact CB-O 3.38Å; C340-R347 PolarHBondContact N-O 3.26Å; C340-L355 HydrophobicContact CB-CD1 4.36Å; C340-H358 VanDerWaalsContact SG-CD2 3.57Å; C340-H358 PolarHBondContact SG-NE2 3.13Å; C340-H358 VanDerWaalsContact SG-NE2 3.35Å; C340-H362 VanDerWaalsContact SG-CD2 3.6Å |
| 341 | P | 88.8 | Confident | 82 | Confident | 85 Ų | 85 | 94.3 Ų | 94.3 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -74.8 | 27.3 | 174.6 | -17.2 | 32.6 | 0 | 0 | 0 | 114.6 | A339 | A339-P341 WeakPolarHBondContact O-CD 3.46Š|
| 342 | V | 90.6 | Very high | 84.2 | Confident | 42 Ų | 42 | 92.4 Ų | 92.4 | 26% | 0.255 | 48% | 0.481 | S | S | . | . | | | trans | -122.4 | 110.1 | -177.1 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | C340 S344 C345 H362 | C340-V342 PolarHBondContact O-N 3.23Å; V342-S344 PolarHBondContact O-N 2.75Å; V342-C345 HydrophobicContact CB-CB 4.4Å; V342-C345 HydrophobicContact CG1-CB 4.49Å; V342-C345 WeakPolarHBondContact O-CA 3.44Å; V342-C345 PolarHBondContact O-N 3.32Å; V342-H362 HydrophobicContact CG2-CB 4.33Å |
| 343 | E | 84.6 | Confident | 86 | Confident | 186 Ų | 186 | 91.3 Ų | 91.3 | 87% | 0.869 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -21.9 | -173.2 | -55 | -53.2 | 111.1 | 0 | 0 | 114.7 | C345 | E343-C345 VanDerWaalsContact C-N 3.31Š|
| 344 | S | 89.9 | Confident | 87.8 | Confident | 103 Ų | 103 | 88 Ų | 88 | 72% | 0.72 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 16.3 | 173.7 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | V342 | V342-S344 PolarHBondContact O-N 2.75Š|
| 345 | C | 90.5 | Very high | 89.2 | Confident | 17 Ų | 17 | 82.7 Ų | 82.7 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | | | trans | -149.4 | 93.7 | -174.9 | -152.2 | 0 | 0 | 0 | 0 | 114.8 | C340 V342 E343 R347 H362 | C340-C345 HydrophobicContact CB-CB 4.48Å; C340-C345 WeakPolarHBondContact CB-O 3.23Å; V342-C345 HydrophobicContact CB-CB 4.4Å; V342-C345 HydrophobicContact CG1-CB 4.49Å; V342-C345 WeakPolarHBondContact O-CA 3.44Å; V342-C345 PolarHBondContact O-N 3.32Å; E343-C345 VanDerWaalsContact C-N 3.31Å; C345-R347 PolarHBondContact O-N 3.25Å; C345-H362 WeakPolarHBondContact CB-NE2 3.13Å; C345-H362 PolarHBondContact SG-NE2 3.49Å |
| 346 | D | 89.8 | Confident | 90.1 | Very high | 159 Ų | 159 | 80.5 Ų | 80.5 | 85% | 0.85 | 42% | 0.416 | S | S | * | . | | | trans | -66.8 | 16.4 | 179.5 | -45.8 | -85.5 | 0 | 0 | 0 | 115.6 | R348 | D346-R348 PolarHBondContact O-N 3.19Š|
| 347 | R | 89.7 | Confident | 90.4 | Very high | 148 Ų | 148 | 79.6 Ų | 79.6 | 56% | 0.558 | 41% | 0.412 | S | S | * | . | | | trans | -77.8 | 113.4 | -172.7 | -71.8 | -173 | 176.3 | -147.4 | 0 | 111.5 | C340 C345 F349 | C340-R347 WeakPolarHBondContact CB-O 3.38Å; C340-R347 PolarHBondContact N-O 3.26Å; C345-R347 PolarHBondContact O-N 3.25Å; R347-F349 HydrophobicContact CB-CE2 3.8Å; R347-F349 HydrophobicContact CB-CZ 3.82Å; R347-F349 VanDerWaalsContact O-CE2 3.29Å; R347-F349 WeakPolarHBondContact O-CE2 3.46Å |
| 348 | R | 93.6 | Very high | 90.7 | Very high | 135 Ų | 135 | 76.4 Ų | 76.4 | 51% | 0.509 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 151.2 | 172.7 | -56.1 | 179.4 | 61.6 | 163.1 | 2.5 | 111.8 | R336 Y338 A339 D346 | R336-R348 HydrophobicContact CB-CB 3.7Å; R336-R348 PolarHBondContact NE-O 3.01Å; R336-R348 PolarHBondContact NH2-O 3.19Å; R336-R348 PolarHBondContact O-NE 3.41Å; R336-R348 PolarHBondContact O-NH2 3.5Å; Y338-R348 CarbonylContact O-C 3.12Å; Y338-R348 WeakPolarHBondContact O-CA 3.32Å; A339-R348 HydrophobicContact CB-CG 4.07Å; D346-R348 PolarHBondContact O-N 3.19Å |
| 349 | F | 91.8 | Very high | 90.7 | Very high | 28 Ų | 28 | 75.4 Ų | 75.4 | 12% | 0.123 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 151.9 | -177.4 | -56.9 | -87.5 | 0 | 0 | 0 | 111.3 | R336 Y338 R347 R351 E354 L355 H358 | R336-F349 CarbonylContact C-O 3.59Å; R336-F349 WeakPolarHBondContact CA-O 3.22Å; Y338-F349 PolarHBondContact N-O 3.42Å; Y338-F349 PolarHBondContact O-N 3.29Å; R347-F349 HydrophobicContact CB-CE2 3.8Å; R347-F349 HydrophobicContact CB-CZ 3.82Å; R347-F349 VanDerWaalsContact O-CE2 3.29Å; R347-F349 WeakPolarHBondContact O-CE2 3.46Å; F349-R351 VanDerWaalsContact C-N 3.34Å; F349-E354 HydrophobicContact CB-CB 3.91Å; F349-E354 HydrophobicContact CD1-CB 3.63Å; F349-E354 HydrophobicContact CG-CB 3.97Å; F349-L355 HydrophobicContact CB-CB 4.46Å; F349-L355 HydrophobicContact CD2-CB 3.96Å; F349-L355 HydrophobicContact CD2-CD1 4.07Å; F349-L355 HydrophobicContact CE2-CD1 4.25Å; F349-L355 HydrophobicContact CG-CB 4.4Å; F349-H358 HydrophobicContact CE1-CB 4.18Å; F349-H358 HydrophobicContact CE2-CB 3.84Å; F349-H358 AromaticContact CE2-CD2 3.26Å; F349-H358 WeakPolarHBondContact CE2-CD2 3.44Å; F349-H358 AromaticContact CE2-CG 3.72Å; F349-H358 HydrophobicContact CZ-CB 3.5Å; F349-H358 VanDerWaalsContact CZ-CB 3.5Å; F349-H358 AromaticContact CZ-CD2 3.43Å; F349-H358 VanDerWaalsContact CZ-CD2 3.43Å; F349-H358 WeakPolarHBondContact CZ-CD2 3.46Å; F349-H358 AromaticContact CZ-CG 3.44Å; F349-H358 VanDerWaalsContact CZ-CG 3.44Å |
| 350 | S | 92.4 | Very high | 90.8 | Very high | 58 Ų | 58 | 76.1 Ų | 76.1 | 41% | 0.406 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -85.2 | -10.7 | 175.1 | 53 | 0 | 0 | 0 | 0 | 112.7 | | |
| 351 | R | 90.8 | Very high | 90.5 | Very high | 138 Ų | 138 | 81.1 Ų | 81.1 | 52% | 0.521 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -133.4 | 143.5 | -178.9 | -64.4 | 170.3 | 53.6 | 148.2 | 1.2 | 111.9 | F349 D353 E354 L355 | F349-R351 VanDerWaalsContact C-N 3.34Å; R351-D353 IonicContact CZ-OD1 3.38Å; R351-D353 IonicContact CZ-OD2 2.74Å; R351-D353 IonicContact NE-OD1 2.79Å; R351-D353 PolarHBondContact NE-OD1 3.04Å; R351-D353 IonicContact NE-OD2 3.09Å; R351-D353 IonicContact NH2-OD1 3.59Å; R351-D353 PolarHBondContact NH2-OD1 3.4Å; R351-D353 IonicContact NH2-OD2 3.58Å; R351-D353 PolarHBondContact NH2-OD2 2.83Å; R351-D353 PolarHBondContact O-N 3.29Å; R351-E354 HydrophobicContact CB-CB 4.36Å; R351-E354 HydrophobicContact CB-CG 4Å; R351-E354 PolarHBondContact O-N 3.48Å; R351-L355 PolarHBondContact O-N 3.3Å |
| 352 | S | 91.1 | Very high | 90.5 | Very high | 62 Ų | 62 | 81.3 Ų | 81.3 | 43% | 0.434 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 175.8 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | E354 L355 T356 | S352-E354 PolarHBondContact O-N 2.96Å; S352-L355 WeakPolarHBondContact O-CB 3.45Å; S352-L355 PolarHBondContact O-N 3.44Å; S352-L355 VanDerWaalsContact O-N 3.1Å; S352-T356 PolarHBondContact O-N 3.23Å; S352-T356 PolarHBondContact O-OG1 3.5Å; S352-T356 VanDerWaalsContact O-OG1 3.07Å |
| 353 | D | 89.3 | Confident | 90.4 | Very high | 49 Ų | 49 | 83 Ų | 83 | 26% | 0.262 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66 | -23.8 | 179.9 | 72.2 | -88.9 | 0 | 0 | 0 | 113.8 | R351 R357 | R351-D353 IonicContact CZ-OD1 3.38Å; R351-D353 IonicContact CZ-OD2 2.74Å; R351-D353 IonicContact NE-OD1 2.79Å; R351-D353 PolarHBondContact NE-OD1 3.04Å; R351-D353 IonicContact NE-OD2 3.09Å; R351-D353 IonicContact NH2-OD1 3.59Å; R351-D353 PolarHBondContact NH2-OD1 3.4Å; R351-D353 IonicContact NH2-OD2 3.58Å; R351-D353 PolarHBondContact NH2-OD2 2.83Å; R351-D353 PolarHBondContact O-N 3.29Å; D353-R357 WeakPolarHBondContact O-CB 3.21Å; D353-R357 PolarHBondContact O-N 3.48Å; D353-R357 VanDerWaalsContact O-N 3.08Å; D353-R357 IonicContact OD2-CZ 3.71Å; D353-R357 IonicContact OD2-NH1 2.76Å; D353-R357 PolarHBondContact OD2-NH1 3.29Å; D353-R357 IonicContact OD2-NH2 2.68Å; D353-R357 PolarHBondContact OD2-NH2 2.99Å |
| 354 | E | 91.3 | Very high | 90.6 | Very high | 59 Ų | 59 | 76.2 Ų | 76.2 | 28% | 0.276 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.4 | -43.1 | 171.6 | -67.6 | 177.1 | 178.7 | 0 | 0 | 111.3 | F349 R351 S352 R357 H358 | F349-E354 HydrophobicContact CB-CB 3.91Å; F349-E354 HydrophobicContact CD1-CB 3.63Å; F349-E354 HydrophobicContact CG-CB 3.97Å; R351-E354 HydrophobicContact CB-CB 4.36Å; R351-E354 HydrophobicContact CB-CG 4Å; R351-E354 PolarHBondContact O-N 3.48Å; S352-E354 PolarHBondContact O-N 2.96Å; E354-R357 PolarHBondContact O-N 3.5Å; E354-H358 WeakPolarHBondContact O-CB 3.39Å; E354-H358 PolarHBondContact O-N 3.39Å |
| 355 | L | 93 | Very high | 90.6 | Very high | 21 Ų | 21 | 76 Ų | 76 | 11% | 0.11 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 172.2 | 172.9 | 60.9 | 0 | 0 | 0 | 111.4 | A339 C340 F349 R351 S352 R357 H358 I359 | A339-L355 WeakPolarHBondContact O-CD1 3.35Å; A339-L355 VanDerWaalsContact O-CD2 3.26Å; A339-L355 WeakPolarHBondContact O-CD2 3.23Å; C340-L355 HydrophobicContact CB-CD1 4.36Å; F349-L355 HydrophobicContact CB-CB 4.46Å; F349-L355 HydrophobicContact CD2-CB 3.96Å; F349-L355 HydrophobicContact CD2-CD1 4.07Å; F349-L355 HydrophobicContact CE2-CD1 4.25Å; F349-L355 HydrophobicContact CG-CB 4.4Å; R351-L355 PolarHBondContact O-N 3.3Å; S352-L355 WeakPolarHBondContact O-CB 3.45Å; S352-L355 PolarHBondContact O-N 3.44Å; S352-L355 VanDerWaalsContact O-N 3.1Å; L355-R357 VanDerWaalsContact C-N 3.25Å; L355-R357 PolarHBondContact O-N 3.16Å; L355-H358 CarbonylContact O-C 3.2Å; L355-H358 WeakPolarHBondContact O-CA 3.36Å; L355-H358 WeakPolarHBondContact O-CB 3.07Å; L355-H358 PolarHBondContact O-N 2.88Å; L355-I359 HydrophobicContact CD1-CD1 3.8Å; L355-I359 HydrophobicContact CD1-CG1 3.91Å; L355-I359 HydrophobicContact CD2-CD1 4.43Å; L355-I359 HydrophobicContact CG-CD1 3.8Å; L355-I359 HydrophobicContact CG-CG1 4.36Å; L355-I359 WeakPolarHBondContact O-CG1 3.39Å; L355-I359 PolarHBondContact O-N 3.03Å |
| 356 | T | 90.6 | Very high | 90.6 | Very high | 76 Ų | 76 | 81.2 Ų | 81.2 | 47% | 0.466 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.4 | -38.6 | 177.6 | -50.2 | 0 | 0 | 0 | 0 | 111.7 | S352 | S352-T356 PolarHBondContact O-N 3.23Å; S352-T356 PolarHBondContact O-OG1 3.5Å; S352-T356 VanDerWaalsContact O-OG1 3.07Å |
| 357 | R | 90.1 | Very high | 90.6 | Very high | 93 Ų | 93 | 77.3 Ų | 77.3 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.9 | -33.7 | 175 | -174.4 | -171.9 | -55.7 | 109.1 | 12.7 | 112.4 | D353 E354 L355 R379 | D353-R357 WeakPolarHBondContact O-CB 3.21Å; D353-R357 PolarHBondContact O-N 3.48Å; D353-R357 VanDerWaalsContact O-N 3.08Å; D353-R357 IonicContact OD2-CZ 3.71Å; D353-R357 IonicContact OD2-NH1 2.76Å; D353-R357 PolarHBondContact OD2-NH1 3.29Å; D353-R357 IonicContact OD2-NH2 2.68Å; D353-R357 PolarHBondContact OD2-NH2 2.99Å; E354-R357 PolarHBondContact O-N 3.5Å; L355-R357 VanDerWaalsContact C-N 3.25Å; L355-R357 PolarHBondContact O-N 3.16Å; R357-R379 HydrophobicContact CG-CG 4.14Å |
| 358 | H | 91.3 | Very high | 90.7 | Very high | 9 Ų | 9 | 73.2 Ų | 73.2 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -72.6 | -41.7 | 175.9 | 170.6 | 42.9 | 0 | 0 | 0 | 112.6 | C340 F349 E354 L355 R360 I361 H362 | C340-H358 VanDerWaalsContact SG-CD2 3.57Å; C340-H358 PolarHBondContact SG-NE2 3.13Å; C340-H358 VanDerWaalsContact SG-NE2 3.35Å; F349-H358 HydrophobicContact CE1-CB 4.18Å; F349-H358 HydrophobicContact CE2-CB 3.84Å; F349-H358 AromaticContact CE2-CD2 3.26Å; F349-H358 WeakPolarHBondContact CE2-CD2 3.44Å; F349-H358 AromaticContact CE2-CG 3.72Å; F349-H358 HydrophobicContact CZ-CB 3.5Å; F349-H358 VanDerWaalsContact CZ-CB 3.5Å; F349-H358 AromaticContact CZ-CD2 3.43Å; F349-H358 VanDerWaalsContact CZ-CD2 3.43Å; F349-H358 WeakPolarHBondContact CZ-CD2 3.46Å; F349-H358 AromaticContact CZ-CG 3.44Å; F349-H358 VanDerWaalsContact CZ-CG 3.44Å; E354-H358 WeakPolarHBondContact O-CB 3.39Å; E354-H358 PolarHBondContact O-N 3.39Å; L355-H358 CarbonylContact O-C 3.2Å; L355-H358 WeakPolarHBondContact O-CA 3.36Å; L355-H358 WeakPolarHBondContact O-CB 3.07Å; L355-H358 PolarHBondContact O-N 2.88Å; H358-R360 PolarHBondContact O-N 3.18Å; H358-R360 VanDerWaalsContact O-N 3.15Å; H358-I361 WeakPolarHBondContact O-CB 3.33Å; H358-I361 WeakPolarHBondContact O-CG1 3.43Å; H358-I361 PolarHBondContact O-N 3.48Å; H358-H362 AromaticContact CE1-CD2 3.94Å |
| 359 | I | 91.3 | Very high | 90.8 | Very high | 53 Ų | 53 | 70.9 Ų | 70.9 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.8 | -32.1 | 177.9 | -70.6 | 166.9 | 0 | 0 | 0 | 111.5 | L355 I361 H362 T363 | L355-I359 HydrophobicContact CD1-CD1 3.8Å; L355-I359 HydrophobicContact CD1-CG1 3.91Å; L355-I359 HydrophobicContact CD2-CD1 4.43Å; L355-I359 HydrophobicContact CG-CD1 3.8Å; L355-I359 HydrophobicContact CG-CG1 4.36Å; L355-I359 WeakPolarHBondContact O-CG1 3.39Å; L355-I359 PolarHBondContact O-N 3.03Å; I359-I361 PolarHBondContact O-N 3.02Å; I359-I361 VanDerWaalsContact O-N 3.11Å; I359-H362 PolarHBondContact O-N 3.04Å; I359-T363 HydrophobicContact CG2-CG2 4Å; I359-T363 PolarHBondContact O-N 3.32Å; I359-T363 PolarHBondContact O-OG1 2.7Å |
| 360 | R | 91.7 | Very high | 90.9 | Very high | 64 Ų | 64 | 69.6 Ų | 69.6 | 24% | 0.242 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.7 | -16.4 | 172.9 | -65 | 176.6 | -171.6 | 179.9 | 0.7 | 114.9 | H358 T363 G364 Q365 S378 | H358-R360 PolarHBondContact O-N 3.18Å; H358-R360 VanDerWaalsContact O-N 3.15Å; R360-T363 WeakPolarHBondContact CA-OG1 3.28Å; R360-G364 CarbonylContact O-C 3.43Å; R360-G364 WeakPolarHBondContact O-CA 3.31Å; R360-G364 PolarHBondContact O-N 3.31Å; R360-G364 VanDerWaalsContact O-N 3.17Å; R360-Q365 HydrophobicContact CB-CB 4.38Å; R360-Q365 HydrophobicContact CG-CB 4.16Å; R360-Q365 PolarHBondContact O-N 3.04Å; R360-S378 PolarHBondContact NH1-O 3.3Å |
| 361 | I | 88.6 | Confident | 91 | Very high | 118 Ų | 118 | 78.2 Ų | 78.2 | 61% | 0.605 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -74.5 | -44.7 | 172 | -56.1 | 178.2 | 0 | 0 | 0 | 109.3 | H358 I359 | H358-I361 WeakPolarHBondContact O-CB 3.33Å; H358-I361 WeakPolarHBondContact O-CG1 3.43Å; H358-I361 PolarHBondContact O-N 3.48Å; I359-I361 PolarHBondContact O-N 3.02Å; I359-I361 VanDerWaalsContact O-N 3.11Å |
| 362 | H | 89.3 | Confident | 91.1 | Very high | 90 Ų | 90 | 76.5 Ų | 76.5 | 42% | 0.417 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -71 | -43.2 | 177.7 | -58.7 | -60.8 | 0 | 0 | 0 | 112.5 | C340 V342 C345 H358 I359 G364 | C340-H362 VanDerWaalsContact SG-CD2 3.6Å; V342-H362 HydrophobicContact CG2-CB 4.33Å; C345-H362 WeakPolarHBondContact CB-NE2 3.13Å; C345-H362 PolarHBondContact SG-NE2 3.49Å; H358-H362 AromaticContact CE1-CD2 3.94Å; I359-H362 PolarHBondContact O-N 3.04Å; H362-G364 VanDerWaalsContact C-N 3.27Å; H362-G364 PolarHBondContact O-N 3.48Å |
| 363 | T | 88.3 | Confident | 91.2 | Very high | 77 Ų | 77 | 76.4 Ų | 76.4 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -82.3 | -1.7 | 178.8 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | I359 R360 Q365 | I359-T363 HydrophobicContact CG2-CG2 4Å; I359-T363 PolarHBondContact O-N 3.32Å; I359-T363 PolarHBondContact O-OG1 2.7Å; R360-T363 WeakPolarHBondContact CA-OG1 3.28Å; T363-Q365 PolarHBondContact O-N 2.78Å; T363-Q365 WeakPolarHBondContact OG1-CG 3.49Å |
| 364 | G | 88.4 | Confident | 91.4 | Very high | 44 Ų | 44 | 79.5 Ų | 79.5 | 45% | 0.454 | 40% | 0.395 | S | S | . | . | | | trans | 62.8 | 4.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | R360 H362 K366 | R360-G364 CarbonylContact O-C 3.43Å; R360-G364 WeakPolarHBondContact O-CA 3.31Å; R360-G364 PolarHBondContact O-N 3.31Å; R360-G364 VanDerWaalsContact O-N 3.17Å; H362-G364 VanDerWaalsContact C-N 3.27Å; H362-G364 PolarHBondContact O-N 3.48Å; G364-K366 WeakPolarHBondContact O-CG 3.48Å; G364-K366 PolarHBondContact O-N 3.42Å |
| 365 | Q | 90.4 | Very high | 91.5 | Very high | 99 Ų | 99 | 84.8 Ų | 84.8 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | | | trans | -63.7 | 125.7 | -168.9 | -78.8 | -177.8 | -0.7 | 0 | 0 | 113.3 | R360 T363 P367 | R360-Q365 HydrophobicContact CB-CB 4.38Å; R360-Q365 HydrophobicContact CG-CB 4.16Å; R360-Q365 PolarHBondContact O-N 3.04Å; T363-Q365 PolarHBondContact O-N 2.78Å; T363-Q365 WeakPolarHBondContact OG1-CG 3.49Å; Q365-P367 WeakPolarHBondContact O-CD 3.42Å |
| 366 | K | 90.7 | Very high | 91.5 | Very high | 125 Ų | 125 | 87.3 Ų | 87.3 | 54% | 0.543 | 43% | 0.425 | S | S | . | . | | | trans | -126.4 | 72 | -178.8 | -68.6 | 161.9 | -171.5 | 168.7 | 0 | 110.8 | G364 F368 N376 F377 | G364-K366 WeakPolarHBondContact O-CG 3.48Å; G364-K366 PolarHBondContact O-N 3.42Å; K366-F368 PolarHBondContact O-N 3.49Å; K366-N376 HydrophobicContact CB-CB 3.7Å; K366-N376 HydrophobicContact CD-CB 4.5Å; K366-F377 CarbonylContact C-O 3.57Å; K366-F377 VanDerWaalsContact CA-O 3.23Å; K366-F377 WeakPolarHBondContact CA-O 3.46Å |
| 367 | P | 88.8 | Confident | 91.6 | Very high | 78 Ų | 78 | 85.4 Ų | 85.4 | 51% | 0.506 | 41% | 0.411 | S | S | . | . | | | trans | -73.9 | -5.6 | -170.5 | 30.3 | -36.3 | 0 | 0 | 0 | 115 | Q365 | Q365-P367 WeakPolarHBondContact O-CD 3.42Š|
| 368 | F | 93.2 | Very high | 91.6 | Very high | 61 Ų | 61 | 83 Ų | 83 | 27% | 0.268 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 99.3 | -176.9 | -58.6 | -75.1 | 0 | 0 | 0 | 110.9 | K366 F377 R379 S380 L383 | K366-F368 PolarHBondContact O-N 3.49Å; F368-F377 HydrophobicContact CB-CB 4.31Å; F368-F377 PolarHBondContact N-O 2.69Å; F368-F377 PolarHBondContact O-N 2.74Å; F368-R379 VanDerWaalsContact CD2-CA 3.5Å; F368-S380 VanDerWaalsContact CD2-N 3.32Å; F368-S380 VanDerWaalsContact CE2-N 3.31Å; F368-L383 HydrophobicContact CB-CB 4.13Å; F368-L383 HydrophobicContact CB-CD2 3.82Å |
| 369 | Q | 94.5 | Very high | 91.6 | Very high | 87 Ų | 87 | 86.6 Ų | 86.6 | 41% | 0.407 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 136.8 | 179.3 | -168.4 | 162.3 | 44.5 | 0 | 0 | 112.7 | M374 N376 L383 | Q369-M374 PolarHBondContact NE2-O 2.98Å; Q369-N376 WeakPolarHBondContact CA-OD1 3.45Å; Q369-N376 WeakPolarHBondContact CB-OD1 3.42Å; Q369-N376 WeakPolarHBondContact CG-OD1 3.5Å; Q369-L383 WeakPolarHBondContact O-CD2 3.17Å |
| 370 | C | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 87.1 Ų | 87.1 | 0% | 0 | 43% | 0.43 | C | S | . | . | | | trans | -78.2 | 118.6 | 167.7 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | I372 M374 R375 F377 L383 | C370-I372 PolarHBondContact O-N 3.3Å; C370-I372 VanDerWaalsContact O-N 3.14Å; C370-M374 WeakPolarHBondContact O-CA 3.49Å; C370-M374 PolarHBondContact O-N 2.82Å; C370-R375 WeakPolarHBondContact CB-O 3.43Å; C370-R375 PolarHBondContact N-O 2.68Å; C370-F377 HydrophobicContact CB-CE2 4.24Å; C370-L383 HydrophobicContact CB-CD1 3.64Å |
| 371 | R | 93.5 | Very high | 91.5 | Very high | 239 Ų | 239 | 87.2 Ų | 87.2 | 90% | 0.902 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -11.5 | 179.5 | -62.9 | -177.2 | -178.2 | 172.1 | -0 | 114.7 | | |
| 372 | I | 93.3 | Very high | 91.7 | Very high | 103 Ų | 103 | 85 Ų | 85 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -39.1 | -174.5 | -56.6 | 172.6 | 0 | 0 | 0 | 111.7 | C370 H390 | C370-I372 PolarHBondContact O-N 3.3Å; C370-I372 VanDerWaalsContact O-N 3.14Å; I372-H390 HydrophobicContact CD1-CB 3.55Å; I372-H390 HydrophobicContact CG2-CB 4.18Å |
| 373 | C | 93.6 | Very high | 91.9 | Very high | 59 Ų | 59 | 81.8 Ų | 81.8 | 40% | 0.399 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 13.5 | -178.9 | 67.3 | 0 | 0 | 0 | 0 | 114 | R375 H386 | C373-R375 PolarHBondContact O-N 2.76Å; C373-H386 PolarHBondContact SG-NE2 3.42Å |
| 374 | M | 92.9 | Very high | 92.1 | Very high | 115 Ų | 115 | 81.6 Ų | 81.6 | 57% | 0.567 | 41% | 0.406 | S | S | * | . | | | trans | 55.6 | 8.2 | 179.3 | -55.1 | -54.9 | -86.7 | 0 | 0 | 116.3 | Q369 C370 | Q369-M374 PolarHBondContact NE2-O 2.98Å; C370-M374 WeakPolarHBondContact O-CA 3.49Å; C370-M374 PolarHBondContact O-N 2.82Å |
| 375 | R | 92.9 | Very high | 92.3 | Very high | 169 Ų | 169 | 81.4 Ų | 81.4 | 64% | 0.638 | 40% | 0.397 | S | S | * | . | | | trans | -69.2 | 133.7 | 179.4 | -169.9 | 172.1 | -173.9 | 159.4 | 4 | 111.5 | C370 C373 F377 | C370-R375 WeakPolarHBondContact CB-O 3.43Å; C370-R375 PolarHBondContact N-O 2.68Å; C373-R375 PolarHBondContact O-N 2.76Å; R375-F377 HydrophobicContact CB-CE2 4.03Å; R375-F377 HydrophobicContact CB-CZ 4.43Å; R375-F377 HydrophobicContact CG-CE2 3.95Å; R375-F377 HydrophobicContact CG-CZ 4Å; R375-F377 WeakPolarHBondContact O-CD2 3.44Å; R375-F377 WeakPolarHBondContact O-CE2 3.46Å |
| 376 | N | 93.4 | Very high | 92.4 | Very high | 74 Ų | 74 | 78 Ų | 78 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 138.4 | -174.2 | -68.1 | -49.4 | 0 | 0 | 0 | 113 | K366 Q369 | K366-N376 HydrophobicContact CB-CB 3.7Å; K366-N376 HydrophobicContact CD-CB 4.5Å; Q369-N376 WeakPolarHBondContact CA-OD1 3.45Å; Q369-N376 WeakPolarHBondContact CB-OD1 3.42Å; Q369-N376 WeakPolarHBondContact CG-OD1 3.5Å |
| 377 | F | 92 | Very high | 92.4 | Very high | 37 Ų | 37 | 75 Ų | 75 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.2 | -177.3 | -62 | -95 | 0 | 0 | 0 | 111.7 | K366 F368 C370 R375 R379 H382 L383 H386 | K366-F377 CarbonylContact C-O 3.57Å; K366-F377 VanDerWaalsContact CA-O 3.23Å; K366-F377 WeakPolarHBondContact CA-O 3.46Å; F368-F377 HydrophobicContact CB-CB 4.31Å; F368-F377 PolarHBondContact N-O 2.69Å; F368-F377 PolarHBondContact O-N 2.74Å; C370-F377 HydrophobicContact CB-CE2 4.24Å; R375-F377 HydrophobicContact CB-CE2 4.03Å; R375-F377 HydrophobicContact CB-CZ 4.43Å; R375-F377 HydrophobicContact CG-CE2 3.95Å; R375-F377 HydrophobicContact CG-CZ 4Å; R375-F377 WeakPolarHBondContact O-CD2 3.44Å; R375-F377 WeakPolarHBondContact O-CE2 3.46Å; F377-R379 VanDerWaalsContact C-N 3.33Å; F377-H382 HydrophobicContact CD1-CB 4.13Å; F377-L383 HydrophobicContact CB-CB 4.36Å; F377-L383 HydrophobicContact CD2-CB 4.22Å; F377-L383 HydrophobicContact CD2-CD1 4.07Å; F377-L383 HydrophobicContact CE2-CD1 4.29Å; F377-L383 HydrophobicContact CG-CB 4.36Å; F377-H386 HydrophobicContact CE1-CB 4.1Å; F377-H386 HydrophobicContact CE2-CB 4.25Å; F377-H386 AromaticContact CE2-CD2 3.32Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.16Å; F377-H386 AromaticContact CE2-CG 3.94Å; F377-H386 HydrophobicContact CZ-CB 3.7Å; F377-H386 AromaticContact CZ-CD2 3.24Å; F377-H386 WeakPolarHBondContact CZ-CD2 3.48Å; F377-H386 AromaticContact CZ-CG 3.43Å; F377-H386 VanDerWaalsContact CZ-CG 3.43Å; F377-H386 AromaticContact CZ-NE2 3.96Å |
| 378 | S | 91.3 | Very high | 92.7 | Very high | 42 Ų | 42 | 73.8 Ų | 73.8 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -78.8 | -14.5 | 178.1 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | R360 | R360-S378 PolarHBondContact NH1-O 3.3Š|
| 379 | R | 90.4 | Very high | 92.5 | Very high | 85 Ų | 85 | 75.6 Ų | 75.6 | 32% | 0.321 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -137.8 | 143.8 | -176.1 | -65.4 | 166.7 | 53.8 | 162.1 | -4.7 | 112 | R357 F368 F377 D381 H382 L383 | R357-R379 HydrophobicContact CG-CG 4.14Å; F368-R379 VanDerWaalsContact CD2-CA 3.5Å; F377-R379 VanDerWaalsContact C-N 3.33Å; R379-D381 VanDerWaalsContact CB-OD1 3.31Å; R379-D381 WeakPolarHBondContact CB-OD1 3.24Å; R379-D381 IonicContact CZ-OD1 2.78Å; R379-D381 IonicContact CZ-OD2 3.3Å; R379-D381 IonicContact NE-OD1 3.42Å; R379-D381 PolarHBondContact NE-OD1 3.08Å; R379-D381 IonicContact NE-OD2 3.18Å; R379-D381 VanDerWaalsContact NH2-CG 3.26Å; R379-D381 IonicContact NH2-OD1 3.95Å; R379-D381 PolarHBondContact NH2-OD1 3.3Å; R379-D381 VanDerWaalsContact NH2-OD1 3.08Å; R379-D381 IonicContact NH2-OD2 3.81Å; R379-D381 PolarHBondContact NH2-OD2 2.85Å; R379-H382 HydrophobicContact CB-CB 4.34Å; R379-H382 WeakPolarHBondContact CD-NE2 3.39Å; R379-H382 PolarHBondContact NE-CE1 3.15Å; R379-H382 PolarHBondContact NE-NE2 2.86Å; R379-H382 PolarHBondContact NH2-CE1 3.2Å; R379-L383 PolarHBondContact O-N 2.89Å |
| 380 | S | 91.7 | Very high | 92.3 | Very high | 63 Ų | 63 | 75 Ų | 75 | 44% | 0.441 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 178.4 | 45.8 | 0 | 0 | 0 | 0 | 112.6 | F368 H382 L383 T384 | F368-S380 VanDerWaalsContact CD2-N 3.32Å; F368-S380 VanDerWaalsContact CE2-N 3.31Å; S380-H382 VanDerWaalsContact C-N 3.26Å; S380-H382 PolarHBondContact O-N 2.89Å; S380-L383 WeakPolarHBondContact O-CA 3.23Å; S380-L383 WeakPolarHBondContact O-CB 3.42Å; S380-L383 PolarHBondContact O-N 2.97Å; S380-L383 VanDerWaalsContact O-N 3.08Å; S380-T384 PolarHBondContact O-N 3.4Å; S380-T384 PolarHBondContact O-OG1 2.74Å |
| 381 | D | 89.9 | Confident | 92 | Very high | 66 Ų | 66 | 78.4 Ų | 78.4 | 35% | 0.353 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.3 | -36.3 | 179.9 | 69 | -69.1 | 0 | 0 | 0 | 112.2 | R379 T384 T385 | R379-D381 VanDerWaalsContact CB-OD1 3.31Å; R379-D381 WeakPolarHBondContact CB-OD1 3.24Å; R379-D381 IonicContact CZ-OD1 2.78Å; R379-D381 IonicContact CZ-OD2 3.3Å; R379-D381 IonicContact NE-OD1 3.42Å; R379-D381 PolarHBondContact NE-OD1 3.08Å; R379-D381 IonicContact NE-OD2 3.18Å; R379-D381 VanDerWaalsContact NH2-CG 3.26Å; R379-D381 IonicContact NH2-OD1 3.95Å; R379-D381 PolarHBondContact NH2-OD1 3.3Å; R379-D381 VanDerWaalsContact NH2-OD1 3.08Å; R379-D381 IonicContact NH2-OD2 3.81Å; R379-D381 PolarHBondContact NH2-OD2 2.85Å; D381-T384 PolarHBondContact O-N 2.83Å; D381-T385 WeakPolarHBondContact O-CG2 3.14Å; D381-T385 PolarHBondContact O-N 3.4Å; D381-T385 PolarHBondContact O-OG1 2.92Å |
| 382 | H | 91.6 | Very high | 91.8 | Very high | 72 Ų | 72 | 69.1 Ų | 69.1 | 33% | 0.333 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 174 | -65.7 | 0.7 | 0 | 0 | 0 | 111.5 | F377 R379 S380 T385 H386 | F377-H382 HydrophobicContact CD1-CB 4.13Å; R379-H382 HydrophobicContact CB-CB 4.34Å; R379-H382 WeakPolarHBondContact CD-NE2 3.39Å; R379-H382 PolarHBondContact NE-CE1 3.15Å; R379-H382 PolarHBondContact NE-NE2 2.86Å; R379-H382 PolarHBondContact NH2-CE1 3.2Å; S380-H382 VanDerWaalsContact C-N 3.26Å; S380-H382 PolarHBondContact O-N 2.89Å; H382-T385 WeakPolarHBondContact CA-OG1 3.49Å; H382-T385 PolarHBondContact O-N 3.43Å; H382-T385 PolarHBondContact O-OG1 3.39Å; H382-H386 WeakPolarHBondContact O-CB 3.11Å; H382-H386 PolarHBondContact O-N 3.34Å |
| 383 | L | 94.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 68.8 Ų | 68.8 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 172.3 | 171 | 60.6 | 0 | 0 | 0 | 111.6 | F368 Q369 C370 F377 R379 S380 T385 H386 I387 | F368-L383 HydrophobicContact CB-CB 4.13Å; F368-L383 HydrophobicContact CB-CD2 3.82Å; Q369-L383 WeakPolarHBondContact O-CD2 3.17Å; C370-L383 HydrophobicContact CB-CD1 3.64Å; F377-L383 HydrophobicContact CB-CB 4.36Å; F377-L383 HydrophobicContact CD2-CB 4.22Å; F377-L383 HydrophobicContact CD2-CD1 4.07Å; F377-L383 HydrophobicContact CE2-CD1 4.29Å; F377-L383 HydrophobicContact CG-CB 4.36Å; R379-L383 PolarHBondContact O-N 2.89Å; S380-L383 WeakPolarHBondContact O-CA 3.23Å; S380-L383 WeakPolarHBondContact O-CB 3.42Å; S380-L383 PolarHBondContact O-N 2.97Å; S380-L383 VanDerWaalsContact O-N 3.08Å; L383-T385 VanDerWaalsContact C-N 3.33Å; L383-T385 PolarHBondContact O-N 3.05Å; L383-H386 CarbonylContact O-C 3.49Å; L383-H386 WeakPolarHBondContact O-CA 3.4Å; L383-H386 WeakPolarHBondContact O-CB 3.32Å; L383-H386 PolarHBondContact O-N 3.2Å; L383-I387 HydrophobicContact CD1-CD1 3.93Å; L383-I387 HydrophobicContact CD1-CG1 3.97Å; L383-I387 HydrophobicContact CG-CD1 3.97Å; L383-I387 HydrophobicContact CG-CG1 4.45Å; L383-I387 WeakPolarHBondContact O-CG1 3.33Å; L383-I387 PolarHBondContact O-N 3.18Å |
| 384 | T | 92.6 | Very high | 91.4 | Very high | 73 Ų | 73 | 71.8 Ų | 71.8 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | S380 D381 H386 I387 | S380-T384 PolarHBondContact O-N 3.4Å; S380-T384 PolarHBondContact O-OG1 2.74Å; D381-T384 PolarHBondContact O-N 2.83Å; T384-H386 VanDerWaalsContact C-N 3.29Å; T384-H386 PolarHBondContact O-N 2.97Å; T384-I387 PolarHBondContact O-N 3.33Å |
| 385 | T | 91.4 | Very high | 91.2 | Very high | 40 Ų | 40 | 69.9 Ų | 69.9 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.8 | -26.3 | 175.4 | 56 | 0 | 0 | 0 | 0 | 113.6 | D381 H382 L383 R407 | D381-T385 WeakPolarHBondContact O-CG2 3.14Å; D381-T385 PolarHBondContact O-N 3.4Å; D381-T385 PolarHBondContact O-OG1 2.92Å; H382-T385 WeakPolarHBondContact CA-OG1 3.49Å; H382-T385 PolarHBondContact O-N 3.43Å; H382-T385 PolarHBondContact O-OG1 3.39Å; L383-T385 VanDerWaalsContact C-N 3.33Å; L383-T385 PolarHBondContact O-N 3.05Å; T385-R407 HydrophobicContact CG2-CG 3.73Å |
| 386 | H | 92.4 | Very high | 91.1 | Very high | 29 Ų | 29 | 64.8 Ų | 64.8 | 13% | 0.134 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -77.7 | -35.2 | 173.9 | 173.6 | 49.1 | 0 | 0 | 0 | 112.7 | C373 F377 H382 L383 T384 R388 T389 H390 | C373-H386 PolarHBondContact SG-NE2 3.42Å; F377-H386 HydrophobicContact CE1-CB 4.1Å; F377-H386 HydrophobicContact CE2-CB 4.25Å; F377-H386 AromaticContact CE2-CD2 3.32Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.16Å; F377-H386 AromaticContact CE2-CG 3.94Å; F377-H386 HydrophobicContact CZ-CB 3.7Å; F377-H386 AromaticContact CZ-CD2 3.24Å; F377-H386 WeakPolarHBondContact CZ-CD2 3.48Å; F377-H386 AromaticContact CZ-CG 3.43Å; F377-H386 VanDerWaalsContact CZ-CG 3.43Å; F377-H386 AromaticContact CZ-NE2 3.96Å; H382-H386 WeakPolarHBondContact O-CB 3.11Å; H382-H386 PolarHBondContact O-N 3.34Å; L383-H386 CarbonylContact O-C 3.49Å; L383-H386 WeakPolarHBondContact O-CA 3.4Å; L383-H386 WeakPolarHBondContact O-CB 3.32Å; L383-H386 PolarHBondContact O-N 3.2Å; T384-H386 VanDerWaalsContact C-N 3.29Å; T384-H386 PolarHBondContact O-N 2.97Å; H386-R388 PolarHBondContact O-N 3.45Å; H386-T389 PolarHBondContact CE1-OG1 3.14Å; H386-T389 PolarHBondContact ND1-OG1 2.88Å; H386-T389 VanDerWaalsContact ND1-OG1 3.09Å; H386-T389 PolarHBondContact O-N 3.23Å; H386-T389 PolarHBondContact O-OG1 2.82Å; H386-H390 AromaticContact CE1-CD2 3.89Å; H386-H390 AromaticContact CE1-CE1 3.95Å; H386-H390 AromaticContact CE1-NE2 3.16Å; H386-H390 PolarHBondContact CE1-NE2 3.08Å; H386-H390 AromaticContact NE2-CD2 3.9Å; H386-H390 AromaticContact NE2-NE2 3.1Å; H386-H390 PolarHBondContact NE2-NE2 3.18Å |
| 387 | I | 92.6 | Very high | 91 | Very high | 61 Ų | 61 | 63.3 Ų | 63.3 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.4 | -35.2 | 174.7 | -70.5 | 165.6 | 0 | 0 | 0 | 110.6 | L383 T384 T389 H390 T391 | L383-I387 HydrophobicContact CD1-CD1 3.93Å; L383-I387 HydrophobicContact CD1-CG1 3.97Å; L383-I387 HydrophobicContact CG-CD1 3.97Å; L383-I387 HydrophobicContact CG-CG1 4.45Å; L383-I387 WeakPolarHBondContact O-CG1 3.33Å; L383-I387 PolarHBondContact O-N 3.18Å; T384-I387 PolarHBondContact O-N 3.33Å; I387-T389 PolarHBondContact O-N 3.41Å; I387-H390 WeakPolarHBondContact O-CB 3.17Å; I387-H390 PolarHBondContact O-N 3.03Å; I387-T391 HydrophobicContact CG2-CG2 4.25Å; I387-T391 PolarHBondContact O-N 3.49Å |
| 388 | R | 93.3 | Very high | 91 | Very high | 53 Ų | 53 | 61.7 Ų | 61.7 | 20% | 0.2 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -18.4 | 172.8 | -62.1 | -168.4 | -178.9 | 128 | 11.6 | 115.4 | H386 H390 G392 E393 A406 | H386-R388 PolarHBondContact O-N 3.45Å; R388-H390 VanDerWaalsContact C-N 3.27Å; R388-G392 WeakPolarHBondContact O-CA 3.38Å; R388-G392 PolarHBondContact O-N 3.31Å; R388-E393 HydrophobicContact CB-CB 4.18Å; R388-E393 HydrophobicContact CG-CB 3.89Å; R388-E393 IonicContact NE-OE2 3.18Å; R388-E393 PolarHBondContact O-N 3.28Å; R388-A406 HydrophobicContact CB-CB 4.46Å; R388-A406 PolarHBondContact NH1-O 2.82Å |
| 389 | T | 89.9 | Confident | 91 | Very high | 98 Ų | 98 | 65.5 Ų | 65.5 | 60% | 0.601 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -76.2 | -18.9 | 171.6 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | H386 I387 | H386-T389 PolarHBondContact CE1-OG1 3.14Å; H386-T389 PolarHBondContact ND1-OG1 2.88Å; H386-T389 VanDerWaalsContact ND1-OG1 3.09Å; H386-T389 PolarHBondContact O-N 3.23Å; H386-T389 PolarHBondContact O-OG1 2.82Å; I387-T389 PolarHBondContact O-N 3.41Å |
| 390 | H | 89.9 | Confident | 91 | Very high | 76 Ų | 76 | 66.3 Ų | 66.3 | 35% | 0.352 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -92.5 | -42 | 173.2 | -58.9 | -73.7 | 0 | 0 | 0 | 112.1 | I372 H386 I387 R388 G392 | I372-H390 HydrophobicContact CD1-CB 3.55Å; I372-H390 HydrophobicContact CG2-CB 4.18Å; H386-H390 AromaticContact CE1-CD2 3.89Å; H386-H390 AromaticContact CE1-CE1 3.95Å; H386-H390 AromaticContact CE1-NE2 3.16Å; H386-H390 PolarHBondContact CE1-NE2 3.08Å; H386-H390 AromaticContact NE2-CD2 3.9Å; H386-H390 AromaticContact NE2-NE2 3.1Å; H386-H390 PolarHBondContact NE2-NE2 3.18Å; I387-H390 WeakPolarHBondContact O-CB 3.17Å; I387-H390 PolarHBondContact O-N 3.03Å; R388-H390 VanDerWaalsContact C-N 3.27Å; H390-G392 VanDerWaalsContact C-N 3.31Å |
| 391 | T | 89.3 | Confident | 91 | Very high | 71 Ų | 71 | 66.3 Ų | 66.3 | 44% | 0.436 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -80.7 | -9.8 | 178.5 | 65 | 0 | 0 | 0 | 0 | 113.9 | I387 E393 | I387-T391 HydrophobicContact CG2-CG2 4.25Å; I387-T391 PolarHBondContact O-N 3.49Å; T391-E393 WeakPolarHBondContact CB-OE1 3.26Å; T391-E393 PolarHBondContact O-N 2.83Å; T391-E393 VanDerWaalsContact OG1-CD 3.27Å; T391-E393 WeakPolarHBondContact OG1-CG 3.29Å; T391-E393 PolarHBondContact OG1-OE1 2.85Å |
| 392 | G | 88.3 | Confident | 90.9 | Very high | 44 Ų | 44 | 65.4 Ų | 65.4 | 45% | 0.454 | 37% | 0.372 | S | S | . | . | | | trans | 70.8 | 2.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R388 H390 K394 | R388-G392 WeakPolarHBondContact O-CA 3.38Å; R388-G392 PolarHBondContact O-N 3.31Å; H390-G392 VanDerWaalsContact C-N 3.31Å; G392-K394 PolarHBondContact O-N 3.07Å |
| 393 | E | 89.8 | Confident | 90.9 | Very high | 95 Ų | 95 | 69.9 Ų | 69.9 | 44% | 0.444 | 39% | 0.386 | S | S | . | . | | | trans | -58.1 | 121.9 | -175.7 | -83.7 | 168.7 | -118.3 | 0 | 0 | 113.4 | R388 T391 P395 | R388-E393 HydrophobicContact CB-CB 4.18Å; R388-E393 HydrophobicContact CG-CB 3.89Å; R388-E393 IonicContact NE-OE2 3.18Å; R388-E393 PolarHBondContact O-N 3.28Å; T391-E393 WeakPolarHBondContact CB-OE1 3.26Å; T391-E393 PolarHBondContact O-N 2.83Å; T391-E393 VanDerWaalsContact OG1-CD 3.27Å; T391-E393 WeakPolarHBondContact OG1-CG 3.29Å; T391-E393 PolarHBondContact OG1-OE1 2.85Å; E393-P395 WeakPolarHBondContact O-CD 3.36Å |
| 394 | K | 89.6 | Confident | 90.8 | Very high | 123 Ų | 123 | 75.6 Ų | 75.6 | 54% | 0.535 | 41% | 0.41 | S | S | . | . | | | trans | -123.6 | 73.7 | 176.9 | -67.6 | 163.1 | -170.4 | 169.9 | 0 | 110.2 | G392 F396 K404 F405 | G392-K394 PolarHBondContact O-N 3.07Å; K394-F396 VanDerWaalsContact C-N 3.26Å; K394-F396 PolarHBondContact O-N 3.1Å; K394-K404 HydrophobicContact CB-CB 3.63Å; K394-F405 CarbonylContact C-O 3.2Å; K394-F405 WeakPolarHBondContact CA-O 3.48Å |
| 395 | P | 88.5 | Confident | 90.7 | Very high | 74 Ų | 74 | 73.8 Ų | 73.8 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | | | trans | -72.3 | -14.7 | -173.7 | 28.9 | -35.2 | 0 | 0 | 0 | 114 | E393 A397 | E393-P395 WeakPolarHBondContact O-CD 3.36Å; P395-A397 PolarHBondContact O-N 3.08Å |
| 396 | F | 90.9 | Very high | 90.5 | Very high | 63 Ų | 63 | 72.8 Ų | 72.8 | 28% | 0.276 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 85.2 | -174.9 | -61 | -69.4 | 0 | 0 | 0 | 111.6 | K394 F405 R411 | K394-F396 VanDerWaalsContact C-N 3.26Å; K394-F396 PolarHBondContact O-N 3.1Å; F396-F405 HydrophobicContact CB-CB 4.29Å; F396-F405 PolarHBondContact N-O 3.25Å; F396-F405 VanDerWaalsContact N-O 3.09Å; F396-F405 PolarHBondContact O-N 3.08Å; F396-R411 HydrophobicContact CB-CB 4.06Å; F396-R411 HydrophobicContact CB-CG 4.43Å |
| 397 | A | 90.9 | Very high | 90.3 | Very high | 42 Ų | 42 | 75.6 Ų | 75.6 | 35% | 0.347 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P395 K404 R411 | P395-A397 PolarHBondContact O-N 3.08Å; A397-K404 HydrophobicContact CB-CG 4.19Å; A397-R411 WeakPolarHBondContact O-CD 3.49Å; A397-R411 PolarHBondContact O-NH1 3.17Å |
| 398 | C | 93.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.02 | 40% | 0.4 | C | S | . | . | | | trans | -72.4 | 124.2 | 173.1 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | I400 C401 G402 R403 F405 H414 | C398-I400 PolarHBondContact O-N 3.39Å; C398-C401 PolarHBondContact O-N 3.47Å; C398-C401 VanDerWaalsContact SG-SG 3.6Å; C398-G402 WeakPolarHBondContact O-CA 3.37Å; C398-G402 PolarHBondContact O-N 2.82Å; C398-R403 WeakPolarHBondContact CB-O 3.43Å; C398-R403 PolarHBondContact N-O 3.22Å; C398-F405 HydrophobicContact CB-CE2 4.27Å; C398-H414 VanDerWaalsContact SG-CD2 3.55Å |
| 399 | D | 91.4 | Very high | 90.1 | Very high | 123 Ų | 123 | 76.2 Ų | 76.2 | 66% | 0.658 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -14 | -174.7 | -43.6 | -51.6 | 0 | 0 | 0 | 113.8 | R411 | D399-R411 IonicContact OD1-CZ 3.53Å; D399-R411 IonicContact OD1-NH1 2.69Å; D399-R411 PolarHBondContact OD1-NH1 3.48Å; D399-R411 IonicContact OD2-CZ 3.94Å; D399-R411 VanDerWaalsContact OD2-CZ 3.3Å; D399-R411 IonicContact OD2-NH1 3.3Å; D399-R411 PolarHBondContact OD2-NH1 3.35Å; D399-R411 IonicContact OD2-NH2 2.79Å; D399-R411 PolarHBondContact OD2-NH2 2.99Å; D399-R411 VanDerWaalsContact OD2-NH2 3.09Å |
| 400 | I | 90.3 | Very high | 90 | Very high | 102 Ų | 102 | 74.4 Ų | 74.4 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -25.4 | -173.1 | -60 | 169.4 | 0 | 0 | 0 | 112.6 | C398 H418 | C398-I400 PolarHBondContact O-N 3.39Å; I400-H418 HydrophobicContact CB-CB 4.39Å; I400-H418 HydrophobicContact CD1-CB 3.54Å; I400-H418 HydrophobicContact CG2-CB 3.97Å |
| 401 | C | 91.7 | Very high | 90.2 | Very high | 63 Ų | 63 | 73.5 Ų | 73.5 | 43% | 0.426 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.4 | 8.8 | -174.3 | 69.6 | 0 | 0 | 0 | 0 | 114.7 | C398 R403 H414 H418 | C398-C401 PolarHBondContact O-N 3.47Å; C398-C401 VanDerWaalsContact SG-SG 3.6Å; C401-R403 PolarHBondContact O-N 3.31Å; C401-H414 PolarHBondContact SG-NE2 3.03Å; C401-H418 PolarHBondContact SG-NE2 3.29Å; C401-H418 VanDerWaalsContact SG-NE2 3.39Å |
| 402 | G | 87.8 | Confident | 90.4 | Very high | 46 Ų | 46 | 76 Ų | 76 | 47% | 0.474 | 40% | 0.395 | S | S | . | . | | | trans | 69.7 | -15.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | C398 K404 | C398-G402 WeakPolarHBondContact O-CA 3.37Å; C398-G402 PolarHBondContact O-N 2.82Å; G402-K404 WeakPolarHBondContact O-CG 3.47Å; G402-K404 PolarHBondContact O-N 3.04Å |
| 403 | R | 91.1 | Very high | 90.5 | Very high | 167 Ų | 167 | 75.9 Ų | 75.9 | 63% | 0.63 | 39% | 0.394 | S | S | * | . | | | trans | -55.2 | 125.5 | -175.6 | -166.3 | 171.4 | -170.5 | 170.5 | 5 | 111.2 | C398 C401 F405 | C398-R403 WeakPolarHBondContact CB-O 3.43Å; C398-R403 PolarHBondContact N-O 3.22Å; C401-R403 PolarHBondContact O-N 3.31Å; R403-F405 HydrophobicContact CB-CE2 4.07Å; R403-F405 HydrophobicContact CB-CZ 4.33Å; R403-F405 HydrophobicContact CG-CE2 4.07Å; R403-F405 HydrophobicContact CG-CZ 3.93Å; R403-F405 VanDerWaalsContact O-CD2 3.32Å; R403-F405 WeakPolarHBondContact O-CD2 3.4Å; R403-F405 WeakPolarHBondContact O-CE2 3.43Å |
| 404 | K | 92.1 | Very high | 90.7 | Very high | 142 Ų | 142 | 72.7 Ų | 72.7 | 62% | 0.617 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 139 | -173.1 | -57.6 | -174.3 | -178.7 | 177.5 | 0 | 112.2 | K394 A397 G402 | K394-K404 HydrophobicContact CB-CB 3.63Å; A397-K404 HydrophobicContact CB-CG 4.19Å; G402-K404 WeakPolarHBondContact O-CG 3.47Å; G402-K404 PolarHBondContact O-N 3.04Å |
| 405 | F | 89.7 | Confident | 90.7 | Very high | 34 Ų | 34 | 67.9 Ų | 67.9 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 153.7 | -177.8 | -61.8 | -87.9 | 0 | 0 | 0 | 112 | K394 F396 C398 R403 E410 R411 H414 | K394-F405 CarbonylContact C-O 3.2Å; K394-F405 WeakPolarHBondContact CA-O 3.48Å; F396-F405 HydrophobicContact CB-CB 4.29Å; F396-F405 PolarHBondContact N-O 3.25Å; F396-F405 VanDerWaalsContact N-O 3.09Å; F396-F405 PolarHBondContact O-N 3.08Å; C398-F405 HydrophobicContact CB-CE2 4.27Å; R403-F405 HydrophobicContact CB-CE2 4.07Å; R403-F405 HydrophobicContact CB-CZ 4.33Å; R403-F405 HydrophobicContact CG-CE2 4.07Å; R403-F405 HydrophobicContact CG-CZ 3.93Å; R403-F405 VanDerWaalsContact O-CD2 3.32Å; R403-F405 WeakPolarHBondContact O-CD2 3.4Å; R403-F405 WeakPolarHBondContact O-CE2 3.43Å; F405-E410 HydrophobicContact CB-CB 4.01Å; F405-E410 HydrophobicContact CD1-CB 3.77Å; F405-E410 HydrophobicContact CG-CB 4.13Å; F405-R411 HydrophobicContact CB-CB 4.28Å; F405-R411 HydrophobicContact CD2-CB 3.94Å; F405-R411 HydrophobicContact CD2-CG 3.95Å; F405-R411 HydrophobicContact CE2-CG 4.49Å; F405-R411 HydrophobicContact CG-CB 4.28Å; F405-H414 HydrophobicContact CE1-CB 4.13Å; F405-H414 HydrophobicContact CE2-CB 3.93Å; F405-H414 AromaticContact CE2-CD2 3.55Å; F405-H414 AromaticContact CE2-CG 3.8Å; F405-H414 HydrophobicContact CZ-CB 3.5Å; F405-H414 AromaticContact CZ-CD2 3.55Å; F405-H414 AromaticContact CZ-CG 3.37Å; F405-H414 AromaticContact CZ-ND1 3.97Å |
| 406 | A | 88.6 | Confident | 90.8 | Very high | 19 Ų | 19 | 71.2 Ų | 71.2 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -81 | -27 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R388 E410 | R388-A406 HydrophobicContact CB-CB 4.46Å; R388-A406 PolarHBondContact NH1-O 2.82Å; A406-E410 PolarHBondContact N-OE2 3.04Å; A406-E410 VanDerWaalsContact N-OE2 3.13Å |
| 407 | R | 88.5 | Confident | 90.7 | Very high | 88 Ų | 88 | 72.3 Ų | 72.3 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -126.8 | 153.9 | -179 | -48 | -176.5 | -71 | 121.4 | 7.4 | 112.5 | T385 D409 E410 R411 | T385-R407 HydrophobicContact CG2-CG 3.73Å; R407-D409 WeakPolarHBondContact CB-OD1 3.47Å; R407-D409 IonicContact CZ-OD1 2.82Å; R407-D409 IonicContact CZ-OD2 2.83Å; R407-D409 IonicContact NH1-OD1 3.08Å; R407-D409 PolarHBondContact NH1-OD1 3.16Å; R407-D409 IonicContact NH1-OD2 2.74Å; R407-D409 PolarHBondContact NH1-OD2 3.2Å; R407-D409 IonicContact NH2-OD2 3.38Å; R407-E410 HydrophobicContact CB-CG 4.02Å; R407-E410 IonicContact CZ-OE1 3.77Å; R407-E410 PolarHBondContact N-OE2 2.86Å; R407-E410 IonicContact NE-OE1 3.84Å; R407-E410 PolarHBondContact NE-OE1 3.1Å; R407-E410 IonicContact NH2-OE1 2.65Å; R407-E410 PolarHBondContact NH2-OE1 3.09Å; R407-R411 PolarHBondContact O-N 2.84Å |
| 408 | S | 89.9 | Confident | 90.5 | Very high | 40 Ų | 40 | 71.9 Ų | 71.9 | 28% | 0.28 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -75 | -31 | -174.3 | -170.7 | 0 | 0 | 0 | 0 | 112.7 | R411 K412 | S408-R411 PolarHBondContact O-N 3.11Å; S408-K412 VanDerWaalsContact O-CG 3.23Å; S408-K412 WeakPolarHBondContact O-CG 3.47Å; S408-K412 PolarHBondContact O-N 2.82Å |
| 409 | D | 89.9 | Confident | 90 | Very high | 88 Ų | 88 | 76.3 Ų | 76.3 | 47% | 0.471 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 175.1 | 59.5 | -57.2 | 0 | 0 | 0 | 112.2 | R407 R411 K412 G413 | R407-D409 WeakPolarHBondContact CB-OD1 3.47Å; R407-D409 IonicContact CZ-OD1 2.82Å; R407-D409 IonicContact CZ-OD2 2.83Å; R407-D409 IonicContact NH1-OD1 3.08Å; R407-D409 PolarHBondContact NH1-OD1 3.16Å; R407-D409 IonicContact NH1-OD2 2.74Å; R407-D409 PolarHBondContact NH1-OD2 3.2Å; R407-D409 IonicContact NH2-OD2 3.38Å; D409-R411 PolarHBondContact O-N 3.3Å; D409-K412 PolarHBondContact O-N 3.39Å; D409-G413 PolarHBondContact O-N 3.1Å |
| 410 | E | 89.5 | Confident | 89.2 | Confident | 60 Ų | 60 | 79.4 Ų | 79.4 | 28% | 0.28 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.5 | -50.5 | 171.4 | -63.3 | 167.8 | 167.6 | 0 | 0 | 110.7 | F405 A406 R407 K412 G413 H414 | F405-E410 HydrophobicContact CB-CB 4.01Å; F405-E410 HydrophobicContact CD1-CB 3.77Å; F405-E410 HydrophobicContact CG-CB 4.13Å; A406-E410 PolarHBondContact N-OE2 3.04Å; A406-E410 VanDerWaalsContact N-OE2 3.13Å; R407-E410 HydrophobicContact CB-CG 4.02Å; R407-E410 IonicContact CZ-OE1 3.77Å; R407-E410 PolarHBondContact N-OE2 2.86Å; R407-E410 IonicContact NE-OE1 3.84Å; R407-E410 PolarHBondContact NE-OE1 3.1Å; R407-E410 IonicContact NH2-OE1 2.65Å; R407-E410 PolarHBondContact NH2-OE1 3.09Å; E410-K412 PolarHBondContact O-N 2.78Å; E410-G413 PolarHBondContact O-N 2.82Å; E410-H414 WeakPolarHBondContact O-CB 3.26Å; E410-H414 PolarHBondContact O-N 3.49Å |
| 411 | R | 94.3 | Very high | 88 | Confident | 56 Ų | 56 | 80 Ų | 80 | 21% | 0.211 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 176.4 | -165 | -162.3 | 77.7 | 131.6 | 16.1 | 111.7 | F396 A397 D399 F405 R407 S408 D409 H414 T415 | F396-R411 HydrophobicContact CB-CB 4.06Å; F396-R411 HydrophobicContact CB-CG 4.43Å; A397-R411 WeakPolarHBondContact O-CD 3.49Å; A397-R411 PolarHBondContact O-NH1 3.17Å; D399-R411 IonicContact OD1-CZ 3.53Å; D399-R411 IonicContact OD1-NH1 2.69Å; D399-R411 PolarHBondContact OD1-NH1 3.48Å; D399-R411 IonicContact OD2-CZ 3.94Å; D399-R411 VanDerWaalsContact OD2-CZ 3.3Å; D399-R411 IonicContact OD2-NH1 3.3Å; D399-R411 PolarHBondContact OD2-NH1 3.35Å; D399-R411 IonicContact OD2-NH2 2.79Å; D399-R411 PolarHBondContact OD2-NH2 2.99Å; D399-R411 VanDerWaalsContact OD2-NH2 3.09Å; F405-R411 HydrophobicContact CB-CB 4.28Å; F405-R411 HydrophobicContact CD2-CB 3.94Å; F405-R411 HydrophobicContact CD2-CG 3.95Å; F405-R411 HydrophobicContact CE2-CG 4.49Å; F405-R411 HydrophobicContact CG-CB 4.28Å; R407-R411 PolarHBondContact O-N 2.84Å; S408-R411 PolarHBondContact O-N 3.11Å; D409-R411 PolarHBondContact O-N 3.3Å; R411-H414 PolarHBondContact O-N 2.89Å; R411-T415 WeakPolarHBondContact O-CG2 3.48Å; R411-T415 PolarHBondContact O-N 2.85Å; R411-T415 PolarHBondContact O-OG1 3.38Å |
| 412 | K | 91.7 | Very high | 86.5 | Confident | 124 Ų | 124 | 84.7 Ų | 84.7 | 54% | 0.539 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 177.8 | -74.4 | 166.3 | -174.7 | 177.2 | 0 | 111.4 | S408 D409 E410 H414 T415 K416 | S408-K412 VanDerWaalsContact O-CG 3.23Å; S408-K412 WeakPolarHBondContact O-CG 3.47Å; S408-K412 PolarHBondContact O-N 2.82Å; D409-K412 PolarHBondContact O-N 3.39Å; E410-K412 PolarHBondContact O-N 2.78Å; K412-H414 PolarHBondContact O-N 3.23Å; K412-T415 WeakPolarHBondContact CA-OG1 3.38Å; K412-T415 PolarHBondContact O-N 2.77Å; K412-T415 PolarHBondContact O-OG1 3.28Å; K412-K416 PolarHBondContact O-N 3.4Å |
| 413 | G | 91.6 | Very high | 85.2 | Confident | 41 Ų | 41 | 87.2 Ų | 87.2 | 42% | 0.423 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.8 | -47.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D409 E410 K416 | D409-G413 PolarHBondContact O-N 3.1Å; E410-G413 PolarHBondContact O-N 2.82Å; G413-K416 WeakPolarHBondContact O-CB 3.34Å; G413-K416 PolarHBondContact O-N 3.41Å |
| 414 | H | 92.6 | Very high | 83.6 | Confident | 28 Ų | 28 | 87.3 Ų | 87.3 | 13% | 0.13 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63 | -40.8 | 175.8 | 179.7 | 67 | 0 | 0 | 0 | 113.2 | C398 C401 F405 E410 R411 K412 K416 I417 H418 | C398-H414 VanDerWaalsContact SG-CD2 3.55Å; C401-H414 PolarHBondContact SG-NE2 3.03Å; F405-H414 HydrophobicContact CE1-CB 4.13Å; F405-H414 HydrophobicContact CE2-CB 3.93Å; F405-H414 AromaticContact CE2-CD2 3.55Å; F405-H414 AromaticContact CE2-CG 3.8Å; F405-H414 HydrophobicContact CZ-CB 3.5Å; F405-H414 AromaticContact CZ-CD2 3.55Å; F405-H414 AromaticContact CZ-CG 3.37Å; F405-H414 AromaticContact CZ-ND1 3.97Å; E410-H414 WeakPolarHBondContact O-CB 3.26Å; E410-H414 PolarHBondContact O-N 3.49Å; R411-H414 PolarHBondContact O-N 2.89Å; K412-H414 PolarHBondContact O-N 3.23Å; H414-K416 PolarHBondContact O-N 3.15Å; H414-I417 VanDerWaalsContact O-CB 3.28Å; H414-I417 WeakPolarHBondContact O-CB 3.34Å; H414-I417 WeakPolarHBondContact O-CG1 3.34Å; H414-I417 PolarHBondContact O-N 3.39Å; H414-H418 AromaticContact CD2-NE2 3.75Å; H414-H418 AromaticContact CE1-NE2 3.5Å; H414-H418 PolarHBondContact CE1-NE2 2.99Å; H414-H418 AromaticContact NE2-CD2 3.8Å; H414-H418 AromaticContact NE2-NE2 2.99Å; H414-H418 PolarHBondContact NE2-NE2 2.97Å |
| 415 | T | 89.8 | Confident | 81.9 | Confident | 23 Ų | 23 | 88.7 Ų | 88.7 | 14% | 0.141 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.3 | -30.8 | 176.8 | 50.3 | 0 | 0 | 0 | 0 | 113 | R411 K412 I417 H418 L419 | R411-T415 WeakPolarHBondContact O-CG2 3.48Å; R411-T415 PolarHBondContact O-N 2.85Å; R411-T415 PolarHBondContact O-OG1 3.38Å; K412-T415 WeakPolarHBondContact CA-OG1 3.38Å; K412-T415 PolarHBondContact O-N 2.77Å; K412-T415 PolarHBondContact O-OG1 3.28Å; T415-I417 PolarHBondContact O-N 3Å; T415-H418 PolarHBondContact O-N 3.27Å; T415-L419 VanDerWaalsContact O-CD1 3.23Å; T415-L419 WeakPolarHBondContact O-CD1 3.39Å; T415-L419 PolarHBondContact O-N 2.89Å |
| 416 | K | 91.6 | Very high | 80.3 | Confident | 144 Ų | 144 | 89.9 Ų | 89.9 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.5 | -25.6 | 174.3 | -66.2 | -178.3 | 177.4 | -173.7 | 0 | 113.1 | K412 G413 H414 L419 R420 | K412-K416 PolarHBondContact O-N 3.4Å; G413-K416 WeakPolarHBondContact O-CB 3.34Å; G413-K416 PolarHBondContact O-N 3.41Å; H414-K416 PolarHBondContact O-N 3.15Å; K416-L419 PolarHBondContact O-N 3.27Å; K416-R420 WeakPolarHBondContact O-CG 3.41Å; K416-R420 PolarHBondContact O-N 3.11Å |
| 417 | I | 88.8 | Confident | 78.8 | Confident | 85 Ų | 85 | 94.3 Ų | 94.3 | 44% | 0.436 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 176.3 | -54.3 | 176.5 | 0 | 0 | 0 | 109.6 | H414 T415 R420 Q421 | H414-I417 VanDerWaalsContact O-CB 3.28Å; H414-I417 WeakPolarHBondContact O-CB 3.34Å; H414-I417 WeakPolarHBondContact O-CG1 3.34Å; H414-I417 PolarHBondContact O-N 3.39Å; T415-I417 PolarHBondContact O-N 3Å; I417-R420 PolarHBondContact O-N 2.86Å; I417-Q421 WeakPolarHBondContact O-CG 3.21Å; I417-Q421 PolarHBondContact O-N 2.86Å |
| 418 | H | 86.3 | Confident | 77.2 | Confident | 33 Ų | 33 | 98.2 Ų | 98.2 | 15% | 0.153 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 177.4 | -62.8 | -65.5 | 0 | 0 | 0 | 112.8 | I400 C401 H414 T415 Q421 K422 | I400-H418 HydrophobicContact CB-CB 4.39Å; I400-H418 HydrophobicContact CD1-CB 3.54Å; I400-H418 HydrophobicContact CG2-CB 3.97Å; C401-H418 PolarHBondContact SG-NE2 3.29Å; C401-H418 VanDerWaalsContact SG-NE2 3.39Å; H414-H418 AromaticContact CD2-NE2 3.75Å; H414-H418 AromaticContact CE1-NE2 3.5Å; H414-H418 PolarHBondContact CE1-NE2 2.99Å; H414-H418 AromaticContact NE2-CD2 3.8Å; H414-H418 AromaticContact NE2-NE2 2.99Å; H414-H418 PolarHBondContact NE2-NE2 2.97Å; T415-H418 PolarHBondContact O-N 3.27Å; H418-Q421 PolarHBondContact O-N 2.92Å; H418-K422 PolarHBondContact O-N 3.29Å |
| 419 | L | 82.9 | Confident | 75.5 | Confident | 97 Ų | 97 | 100.1 Ų | 100.1 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -52.2 | 172.5 | -86.9 | 70.6 | 0 | 0 | 0 | 110.5 | T415 K416 Q421 K422 D423 | T415-L419 VanDerWaalsContact O-CD1 3.23Å; T415-L419 WeakPolarHBondContact O-CD1 3.39Å; T415-L419 PolarHBondContact O-N 2.89Å; K416-L419 PolarHBondContact O-N 3.27Å; L419-Q421 PolarHBondContact O-N 2.78Å; L419-Q421 VanDerWaalsContact O-N 3.1Å; L419-K422 WeakPolarHBondContact O-CA 3.4Å; L419-K422 WeakPolarHBondContact O-CB 3.5Å; L419-K422 PolarHBondContact O-N 3.35Å; L419-D423 VanDerWaalsContact O-CG 3.23Å; L419-D423 PolarHBondContact O-N 3Å; L419-D423 VanDerWaalsContact O-OD2 3.11Å |
| 420 | R | 73.9 | Confident | 73.8 | Confident | 188 Ų | 188 | 100.9 Ų | 100.9 | 71% | 0.709 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.2 | -23.5 | 177.4 | -67.6 | 175.4 | 80 | -166.7 | 6.9 | 113.9 | K416 I417 | K416-R420 WeakPolarHBondContact O-CG 3.41Å; K416-R420 PolarHBondContact O-N 3.11Å; I417-R420 PolarHBondContact O-N 2.86Å |
| 421 | Q | 65.6 | Low | 72 | Confident | 115 Ų | 115 | 102.8 Ų | 102.8 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -80.7 | -32.2 | 171.5 | -74.2 | -178.8 | -4.7 | 0 | 0 | 112.9 | I417 H418 L419 K425 | I417-Q421 WeakPolarHBondContact O-CG 3.21Å; I417-Q421 PolarHBondContact O-N 2.86Å; H418-Q421 PolarHBondContact O-N 2.92Å; L419-Q421 PolarHBondContact O-N 2.78Å; L419-Q421 VanDerWaalsContact O-N 3.1Å; Q421-K425 PolarHBondContact O-N 2.95Å |
| 422 | K | 60.4 | Low | 69.9 | Low | 160 Ų | 160 | 103.3 Ų | 103.3 | 70% | 0.696 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.1 | -45 | 174.7 | -169.8 | 179.9 | -179.4 | -177.5 | 0 | 111 | H418 L419 K424 K425 A426 | H418-K422 PolarHBondContact O-N 3.29Å; L419-K422 WeakPolarHBondContact O-CA 3.4Å; L419-K422 WeakPolarHBondContact O-CB 3.5Å; L419-K422 PolarHBondContact O-N 3.35Å; K422-K424 VanDerWaalsContact C-N 3.33Å; K422-K424 PolarHBondContact O-N 3.17Å; K422-K425 PolarHBondContact O-N 3.06Å; K422-A426 PolarHBondContact O-N 3.42Å; K422-A426 VanDerWaalsContact O-N 3.1Å |
| 423 | D | 60.4 | Low | 68.1 | Low | 100 Ų | 100 | 102 Ų | 102 | 54% | 0.535 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | -179.8 | -50.6 | -33.6 | 0 | 0 | 0 | 110.8 | L419 K425 A426 D427 | L419-D423 VanDerWaalsContact O-CG 3.23Å; L419-D423 PolarHBondContact O-N 3Å; L419-D423 VanDerWaalsContact O-OD2 3.11Å; D423-K425 PolarHBondContact O-N 3Å; D423-K425 VanDerWaalsContact O-N 3.16Å; D423-A426 PolarHBondContact O-N 3.03Å; D423-A426 VanDerWaalsContact O-N 3.09Å; D423-D427 PolarHBondContact O-N 3.2Å |
| 424 | K | 58.1 | Low | 66.2 | Low | 169 Ų | 169 | 105.1 Ų | 105.1 | 74% | 0.735 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.1 | -13.4 | 175.1 | -73.1 | -169.5 | 173.8 | -162.7 | 0 | 115.4 | K422 | K422-K424 VanDerWaalsContact C-N 3.33Å; K422-K424 PolarHBondContact O-N 3.17Å |
| 425 | K | 56.6 | Low | 64 | Low | 170 Ų | 170 | 107.8 Ų | 107.8 | 74% | 0.739 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -95.3 | -25.3 | 171.3 | -78.8 | -168.9 | 173.6 | -173.1 | 0 | 113 | Q421 K422 D423 | Q421-K425 PolarHBondContact O-N 2.95Å; K422-K425 PolarHBondContact O-N 3.06Å; D423-K425 PolarHBondContact O-N 3Å; D423-K425 VanDerWaalsContact O-N 3.16Å |
| 426 | A | 56 | Low | 62.3 | Low | 59 Ų | 59 | 112.6 Ų | 112.6 | 49% | 0.488 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.8 | -44.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K422 D423 K428 S429 | K422-A426 PolarHBondContact O-N 3.42Å; K422-A426 VanDerWaalsContact O-N 3.1Å; D423-A426 PolarHBondContact O-N 3.03Å; D423-A426 VanDerWaalsContact O-N 3.09Å; A426-K428 PolarHBondContact O-N 3.06Å; A426-S429 WeakPolarHBondContact O-CA 3.04Å; A426-S429 VanDerWaalsContact O-CB 3.23Å; A426-S429 WeakPolarHBondContact O-CB 2.86Å; A426-S429 PolarHBondContact O-N 3.34Å |
| 427 | D | 56.8 | Low | 60.4 | Low | 113 Ų | 113 | 110.7 Ų | 110.7 | 60% | 0.604 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -56.2 | -51.3 | -179.8 | -157.2 | -40.8 | 0 | 0 | 0 | 112.2 | D423 S429 V430 V431 | D423-D427 PolarHBondContact O-N 3.2Å; D427-S429 PolarHBondContact O-N 2.82Å; D427-V430 PolarHBondContact O-N 3.02Å; D427-V431 PolarHBondContact O-N 3.47Å |
| 428 | K | 55.6 | Low | 58.5 | Low | 169 Ų | 169 | 112.2 Ų | 112.2 | 74% | 0.735 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60.7 | -18.8 | 175.2 | -68.6 | -164 | 173.2 | -163.9 | 0 | 114.5 | A426 | A426-K428 PolarHBondContact O-N 3.06Å |
| 429 | S | 52.8 | Low | 56.4 | Low | 80 Ų | 80 | 119.1 Ų | 119.1 | 56% | 0.559 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -79.4 | -20.2 | 174.9 | -167.3 | 0 | 0 | 0 | 0 | 113.2 | A426 D427 | A426-S429 WeakPolarHBondContact O-CA 3.04Å; A426-S429 VanDerWaalsContact O-CB 3.23Å; A426-S429 WeakPolarHBondContact O-CB 2.86Å; A426-S429 PolarHBondContact O-N 3.34Å; D427-S429 PolarHBondContact O-N 2.82Å |
| 430 | V | 53.8 | Low | 54.5 | Low | 104 Ų | 104 | 120.2 Ų | 120.2 | 63% | 0.63 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -85.9 | -44.6 | -179.9 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | D427 A432 S433 | D427-V430 PolarHBondContact O-N 3.02Å; V430-A432 VanDerWaalsContact C-N 3.26Å; V430-A432 PolarHBondContact O-N 2.97Å; V430-S433 PolarHBondContact O-N 3.43Å |
| 431 | V | 52.8 | Low | 52.9 | Low | 100 Ų | 100 | 115.4 Ų | 115.4 | 61% | 0.606 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -64.9 | -30.4 | -178.8 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | D427 S433 | D427-V431 PolarHBondContact O-N 3.47Å; V431-S433 VanDerWaalsContact C-N 3.27Å; V431-S433 PolarHBondContact O-N 3.15Å |
| 432 | A | 49.9 | Very low | 51.4 | Low | 68 Ų | 68 | 120.3 Ų | 120.3 | 56% | 0.562 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -67.5 | -21.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V430 | V430-A432 VanDerWaalsContact C-N 3.26Å; V430-A432 PolarHBondContact O-N 2.97Å |
| 433 | S | 53.7 | Low | 50.8 | Low | 96 Ų | 96 | 118.3 Ų | 118.3 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -85.9 | -3.6 | -176.8 | -61.9 | 0 | 0 | 0 | 0 | 114.7 | V430 V431 | V430-S433 PolarHBondContact O-N 3.43Å; V431-S433 VanDerWaalsContact C-N 3.27Å; V431-S433 PolarHBondContact O-N 3.15Å |
| 434 | S | 51.3 | Low | 49.9 | Very low | 107 Ų | 107 | 119 Ų | 119 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -110.9 | 2.5 | -173.1 | -55.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 435 | A | 47.8 | Very low | 49.3 | Very low | 83 Ų | 83 | 117 Ų | 117 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -113.9 | 10.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 436 | T | 53.9 | Low | 48.3 | Very low | 124 Ų | 124 | 115.5 Ų | 115.5 | 76% | 0.761 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -110 | 33.4 | -175.2 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 437 | S | 50.3 | Low | 47.6 | Very low | 105 Ų | 105 | 117.2 Ų | 117.2 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -136.9 | 132 | 173.2 | -67.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 438 | S | 49.7 | Very low | 46.5 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 65.5 | 87.2 | -179.9 | -54.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 439 | L | 42.9 | Very low | 45.6 | Very low | 179 Ų | 179 | 114.6 Ų | 114.6 | 94% | 0.937 | 74% | 0.738 | S | S | * | * | | | | -179.7 | 93.9 | 118.9 | -96.3 | 163.6 | 0 | 0 | 0 | 111.3 | | |
| 440 | S | 42.1 | Very low | 44.6 | Very low | 119 Ų | 119 | 121 Ų | 121 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | trans | -115.1 | 113.2 | 162.7 | 58.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 441 | S | 40 | Very low | 44.2 | Very low | 88 Ų | 88 | 121.8 Ų | 121.8 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | | | trans | 176.5 | 162.3 | 144.7 | -164.4 | 0 | 0 | 0 | 0 | 111 | | |
| 442 | Y | 34.8 | Very low | 43.6 | Very low | 217 Ų | 217 | 122.6 Ų | 122.6 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | | | trans | 76.3 | 147.2 | 168.6 | -59.9 | -64.6 | 0 | 0 | 0 | 117.5 | | |
| 443 | P | 47.3 | Very low | 43.4 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | | | trans | -130 | 174.2 | -131.2 | 41.3 | -25.8 | 0 | 0 | 0 | 116 | | |
| 444 | S | 42 | Very low | 42.5 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 141.6 | 176.2 | -46.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 445 | P | 44.8 | Very low | 41.8 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 154.3 | 161.8 | 34 | -31.3 | 0 | 0 | 0 | 113.2 | | |
| 446 | V | 36.6 | Very low | 41.1 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 160.7 | -175.6 | 176.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 447 | A | 41.1 | Very low | 40.3 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 145.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 448 | T | 33.3 | Very low | 39.5 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | trans | -146.9 | 170.4 | 172.6 | -22.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 449 | S | 37.6 | Very low | 39.3 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 59% | 0.594 | 80% | 0.8 | S | S | * | * | | | trans | -138.4 | 172.9 | -154.1 | 55.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 450 | Y | 31.6 | Very low | 39.1 | Very low | 215 Ų | 215 | 132.9 Ų | 132.9 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | 78.2 | 160.9 | 170.5 | -56.8 | -73.2 | 0 | 0 | 0 | 117.9 | | |
| 451 | P | 44.9 | Very low | 39.3 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | cis | -123 | 179.7 | -11.2 | 35 | -17.8 | 0 | 0 | 0 | 114.4 | | |
| 452 | S | 40 | Very low | 38.9 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -102.6 | 149.7 | 176.3 | -50.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 453 | P | 44.5 | Very low | 39.1 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -93.3 | 172.3 | 166.4 | 36.5 | -32.7 | 0 | 0 | 0 | 113.3 | | |
| 454 | V | 35.4 | Very low | 38.6 | Very low | 138 Ų | 138 | 130 Ų | 130 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | -104.7 | 154 | -163.4 | 177.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 455 | T | 36.3 | Very low | 38.5 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | -71.4 | 145 | 176.1 | 48.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 456 | T | 34.7 | Very low | 38.1 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -132.9 | 131.6 | 158.4 | -37.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 457 | S | 36.7 | Very low | 38.6 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | | | trans | -105.5 | 149.6 | -176.7 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 458 | Y | 34 | Very low | 38.7 | Very low | 227 Ų | 227 | 133.8 Ų | 133.8 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | | | trans | -166.6 | 171 | 146.1 | -101.2 | -48.7 | 0 | 0 | 0 | 111.1 | | |
| 459 | P | 45.3 | Very low | 39.3 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | | -113.3 | 166.6 | -120.2 | 42.2 | -34.7 | 0 | 0 | 0 | 116.9 | | |
| 460 | S | 38.5 | Very low | 39.4 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -78.5 | 152.7 | 169.6 | -42 | 0 | 0 | 0 | 0 | 113.3 | | |
| 461 | P | 45.3 | Very low | 40.1 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | trans | -111.9 | 133.9 | 158.5 | 35.1 | -26.5 | 0 | 0 | 0 | 113.8 | | |
| 462 | A | 32.9 | Very low | 39.6 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | 28.8 | 122.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 463 | T | 38.8 | Very low | 39.5 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -71.6 | 139.2 | 151.1 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 464 | T | 36.2 | Very low | 38.9 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -127.5 | 125.2 | 169.3 | -52.5 | 0 | 0 | 0 | 0 | 110.6 | Y466 | T464-Y466 HydrophobicContact CG2-CD2 4.47Š|
| 465 | S | 40 | Very low | 38.8 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -108.1 | 132.4 | -178.5 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 466 | Y | 36 | Very low | 38.9 | Very low | 218 Ų | 218 | 132.7 Ų | 132.7 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | trans | -150.6 | 164.3 | 167.5 | -93.1 | -55.4 | 0 | 0 | 0 | 110.1 | T464 | T464-Y466 HydrophobicContact CG2-CD2 4.47Š|
| 467 | P | 47.9 | Very low | 39.5 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | | -122.6 | 169.2 | -126.1 | 39.7 | -25.2 | 0 | 0 | 0 | 115.6 | | |
| 468 | S | 41.7 | Very low | 39.2 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 139.9 | 173.1 | -47.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 469 | P | 47.3 | Very low | 39.3 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 149.6 | 157.6 | -3.2 | 22.3 | 0 | 0 | 0 | 112 | | |
| 470 | V | 39.6 | Very low | 38.8 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 157.1 | 179.9 | -75.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 471 | P | 45.3 | Very low | 38.4 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 142.6 | 166.1 | 33.4 | -34 | 0 | 0 | 0 | 111.4 | | |
| 472 | T | 33.9 | Very low | 37.9 | Very low | 133 Ų | 133 | 130 Ų | 130 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | | | trans | -123.1 | 119.4 | 171.7 | 42.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 473 | S | 38.7 | Very low | 38.6 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -80.4 | 143.9 | 172.8 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 474 | F | 32.4 | Very low | 38.5 | Very low | 214 Ų | 214 | 129.1 Ų | 129.1 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | | | trans | -146.6 | 144.8 | 151.6 | -109.2 | -76.4 | 0 | 0 | 0 | 112.1 | | |
| 475 | S | 33.3 | Very low | 39.2 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | -108.7 | 157.6 | -173.3 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 476 | S | 38.9 | Very low | 39 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -65.3 | 142.5 | 164.4 | -47.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 477 | P | 47.3 | Very low | 38.8 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | | -132.3 | -173.3 | 96.7 | 38.8 | -27.9 | 0 | 0 | 0 | 111.1 | | |
| 478 | G | 30.4 | Very low | 38.2 | Very low | 79 Ų | 79 | 128 Ų | 128 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | | | cis | -168.3 | -167.1 | 4.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 479 | S | 35.4 | Very low | 37.7 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -120.4 | 179.4 | -167.5 | 59.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 480 | S | 34.3 | Very low | 36.9 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | 85.4 | 143.4 | 175.6 | -156.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 481 | T | 30.7 | Very low | 37.4 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | cis | -152.9 | 159.8 | 38.1 | -52.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 482 | Y | 33.8 | Very low | 37 | Very low | 197 Ų | 197 | 128 Ų | 128 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -60.5 | 173 | 171.1 | -93.1 | -100.3 | 0 | 0 | 0 | 114.2 | | |
| 483 | P | 48.5 | Very low | 37.7 | Very low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | cis | -145.8 | -178.2 | 37.5 | 43.1 | -21.5 | 0 | 0 | 0 | 119.9 | | |
| 484 | S | 37.3 | Very low | 37.3 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | | | trans | -82.5 | 169.5 | 179.2 | -34 | 0 | 0 | 0 | 0 | 114.7 | | |
| 485 | P | 50.3 | Low | 37.8 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | | | trans | -134.8 | 179.2 | 132 | 38.4 | -27.6 | 0 | 0 | 0 | 114.9 | | |
| 486 | V | 35.6 | Very low | 37.9 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -105.5 | 159.2 | -168.8 | -70.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 487 | H | 33.1 | Very low | 37.6 | Very low | 176 Ų | 176 | 124.7 Ų | 124.7 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | | | trans | 158.4 | 158.9 | 144.5 | -91.8 | 74.1 | 0 | 0 | 0 | 108.6 | | |
| 488 | S | 34 | Very low | 37.2 | Very low | 102 Ų | 102 | 124 Ų | 124 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | cis | 175.3 | 134 | -36.2 | 55.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 489 | G | 31.2 | Very low | 37.4 | Very low | 79 Ų | 79 | 131.2 Ų | 131.2 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | | | trans | 155.4 | 111.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 490 | F | 30.8 | Very low | 37.3 | Very low | 204 Ų | 204 | 130 Ų | 130 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | | | trans | -99.7 | 177.3 | 161.8 | -87 | -90.2 | 0 | 0 | 0 | 109 | | |
| 491 | P | 50.6 | Low | 37.3 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | cis | -133.1 | -178.1 | 8.1 | 38.9 | -19.6 | 0 | 0 | 0 | 116.5 | | |
| 492 | S | 36.2 | Very low | 37.6 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | | | trans | -71.9 | -176.9 | 168.5 | -36.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 493 | P | 48.8 | Very low | 38.7 | Very low | 132 Ų | 132 | 127 Ų | 127 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | | -118.2 | 163.3 | 116.4 | 34.9 | -34.8 | 0 | 0 | 0 | 113.6 | | |
| 494 | S | 30.5 | Very low | 38.9 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -105.4 | 163.5 | -165.7 | -54.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 495 | V | 42.7 | Very low | 38.6 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -103.2 | 126 | 169.9 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 496 | A | 35.1 | Very low | 37.9 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -177.3 | 158.3 | 158 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 497 | T | 33.8 | Very low | 38.7 | Very low | 120 Ų | 120 | 130 Ų | 130 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | cis | -154.7 | 152.1 | 4.3 | -18.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 498 | T | 39 | Very low | 38.8 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | | | trans | 23.2 | 139.6 | 148.9 | 51.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 499 | Y | 34 | Very low | 38.8 | Very low | 232 Ų | 232 | 129.7 Ų | 129.7 | 91% | 0.91 | 79% | 0.794 | S | S | * | * | | | | -151.3 | 170 | 106.3 | -125.9 | -90.9 | 0 | 0 | 0 | 112.6 | | |
| 500 | S | 32.5 | Very low | 38.9 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | trans | -119.6 | 151.8 | -169.4 | 178.9 | 0 | 0 | 0 | 0 | 113 | | |
| 501 | S | 34.4 | Very low | 39.1 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -168.6 | 168.5 | 153.9 | 13.6 | 0 | 0 | 0 | 0 | 113 | | |
| 502 | V | 38.2 | Very low | 38.1 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | | | trans | -120.4 | 149.9 | -162.9 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 503 | P | 55.7 | Low | 38 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | trans | -92.5 | 159.1 | -173.7 | 36.4 | -37.6 | 0 | 0 | 0 | 115.3 | | |
| 504 | P | 52.7 | Low | 38.1 | Very low | 123 Ų | 123 | 131 Ų | 131 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | -107.6 | 171.4 | 153.5 | 38.9 | -30.3 | 0 | 0 | 0 | 111.3 | | |
| 505 | A | 31.7 | Very low | 38.1 | Very low | 91 Ų | 91 | 130.3 Ų | 130.3 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | cis | -172 | 152.8 | -31.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 506 | F | 34.9 | Very low | 37.7 | Very low | 199 Ų | 199 | 129.1 Ų | 129.1 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | | | trans | -75.2 | 164.5 | 170.8 | -88.1 | -91.1 | 0 | 0 | 0 | 111.7 | | |
| 507 | P | 52.9 | Low | 37.7 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | | -126.8 | 163.6 | 110.6 | 37 | -33.3 | 0 | 0 | 0 | 113.6 | | |
| 508 | A | 35.3 | Very low | 37.7 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | | | trans | -102.3 | 168.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 509 | Q | 33.3 | Very low | 37.7 | Very low | 187 Ų | 187 | 130.5 Ų | 130.5 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -133.9 | 156.3 | 163.7 | -90.7 | -64 | -12.6 | 0 | 0 | 110.3 | | |
| 510 | V | 33.6 | Very low | 37.6 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -135.2 | 127.3 | -159.5 | 178.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 511 | S | 34.5 | Very low | 37.6 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | trans | -163.7 | 132.7 | 153.1 | 44.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 512 | S | 31 | Very low | 37.4 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | cis | 99.8 | 97.5 | 38.6 | -68.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 513 | F | 32.8 | Very low | 37.2 | Very low | 195 Ų | 195 | 129.7 Ų | 129.7 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -1.2 | 157.6 | 148.4 | -66.2 | -73.1 | 0 | 0 | 0 | 120.2 | | |
| 514 | P | 50.5 | Low | 36.1 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | | | cis | -143.5 | -175.3 | 33.2 | 42.8 | -22.9 | 0 | 0 | 0 | 118.7 | | |
| 515 | S | 32.3 | Very low | 35.3 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | | | trans | -64.8 | 162.2 | -178.3 | -39 | 0 | 0 | 0 | 0 | 116.3 | | |
| 516 | S | 33.9 | Very low | 35.7 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | -155.1 | 139.3 | 137.4 | -81.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 517 | A | 34.5 | Very low | 35.7 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -115.3 | 143.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 518 | V | 34.3 | Very low | 34.8 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | | | trans | -127.9 | 104.1 | 168.2 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 519 | T | 39.2 | Very low | 34.9 | Very low | 120 Ų | 120 | 128 Ų | 128 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | | | trans | -71.5 | 144.8 | 162.2 | 49 | 0 | 0 | 0 | 0 | 110.1 | | |
| 520 | N | 30.5 | Very low | 34.9 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | trans | -154.5 | 99.8 | 144 | -106.1 | -25.8 | 0 | 0 | 0 | 110.8 | | |
| 521 | S | 33.2 | Very low | 35 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | -84.3 | 136.5 | 159.7 | -53.5 | 0 | 0 | 0 | 0 | 108 | | |
| 522 | F | 29.6 | Very low | 35.2 | Very low | 198 Ų | 198 | 130.2 Ų | 130.2 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | | | trans | -134.9 | 116.2 | 159.8 | -112.8 | -81.9 | 0 | 0 | 0 | 110.5 | | |
| 523 | S | 35.6 | Very low | 35.4 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -96.9 | 138 | 173.6 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 524 | A | 31.4 | Very low | 35.7 | Very low | 109 Ų | 109 | 127 Ų | 127 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | | | trans | -139.4 | 121.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 525 | S | 36.6 | Very low | 34.8 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -132.2 | 103.4 | -167.7 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 526 | T | 40.3 | Very low | 34.7 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | | | trans | -147.2 | 129 | 160.9 | 48.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 527 | G | 34 | Very low | 35.1 | Very low | 73 Ų | 73 | 130.4 Ų | 130.4 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | cis | 122.9 | 81.5 | 0.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 528 | L | 34.1 | Very low | 35.2 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | | | trans | -165 | 123.8 | 167.8 | -108.5 | 158.2 | 0 | 0 | 0 | 111.4 | | |
| 529 | S | 37.9 | Very low | 35.3 | Very low | 91 Ų | 91 | 137 Ų | 137 | 64% | 0.636 | 81% | 0.81 | S | S | * | * | | | trans | 29.5 | 130.3 | 152.6 | -71.7 | 0 | 0 | 0 | 0 | 124.4 | | |
| 530 | D | 33.1 | Very low | 35.2 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | | | trans | 52 | 127.1 | 130.3 | -53.2 | -60.1 | 0 | 0 | 0 | 119.9 | | |
| 531 | M | 35.5 | Very low | 35.7 | Very low | 186 Ų | 186 | 140 Ų | 140 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | | -154.5 | 165.8 | 58 | -82.6 | -167.7 | 172.8 | 0 | 0 | 114.8 | | |
| 532 | T | 38.5 | Very low | 36 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -75.4 | 134.3 | 179.7 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 533 | A | 35.8 | Very low | 36.6 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 76% | 0.76 | 84% | 0.839 | S | S | * | * | | | trans | -146.8 | 97.5 | 163 | 0 | 0 | 0 | 0 | 0 | 111.7 | F535 | A533-F535 PolarHBondContact O-N 3.19Š|
| 534 | T | 38 | Very low | 36.6 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | | | trans | -75.9 | 119 | 178 | -45 | 0 | 0 | 0 | 0 | 111 | | |
| 535 | F | 32.7 | Very low | 36.9 | Very low | 198 Ų | 198 | 145.7 Ų | 145.7 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | | | trans | -133.1 | 126.6 | 167.4 | -103.3 | -86.9 | 0 | 0 | 0 | 112 | A533 | A533-F535 PolarHBondContact O-N 3.19Š|
| 536 | S | 30.4 | Very low | 36.9 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 84% | 0.842 | S | S | * | * | | | trans | -91.3 | 137.3 | -179.6 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | R538 | S536-R538 PolarHBondContact O-N 2.65Š|
| 537 | P | 41.9 | Very low | 36.7 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | | | trans | -71.4 | 110.9 | 179.4 | 29.1 | -33.9 | 0 | 0 | 0 | 110.8 | | |
| 538 | R | 37.6 | Very low | 36.9 | Very low | 240 Ų | 240 | 152.1 Ų | 152.1 | 91% | 0.906 | 84% | 0.843 | S | S | * | * | | | trans | -78.9 | 133.5 | 167.6 | -85 | -173.8 | 168.1 | 172.6 | -2.7 | 110.7 | S536 | S536-R538 PolarHBondContact O-N 2.65Š|
| 539 | T | 34.7 | Very low | 37 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 82% | 0.816 | 84% | 0.84 | S | S | * | * | | | trans | -59.1 | 142.4 | 173.3 | 34.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 540 | I | 38.8 | Very low | 37 | Very low | 154 Ų | 154 | 155.2 Ų | 155.2 | 79% | 0.79 | 85% | 0.854 | S | S | * | * | | | trans | -95.3 | 104.1 | 168.7 | -60.3 | 173.6 | 0 | 0 | 0 | 107.1 | I542 | I540-I542 HydrophobicContact CG2-CG1 4.25Š|
| 541 | E | 39.3 | Very low | 37.3 | Very low | 175 Ų | 175 | 156.4 Ų | 156.4 | 82% | 0.818 | 86% | 0.862 | S | S | * | * | | | trans | -76.6 | 140.6 | 158.5 | -71.2 | -158.9 | 137.4 | 0 | 0 | 109.6 | | |
| 542 | I | 40.8 | Very low | 37.4 | Very low | 158 Ų | 158 | 153.9 Ų | 153.9 | 81% | 0.81 | 86% | 0.858 | S | S | * | * | | | trans | -108.2 | 126 | 178.4 | -57.5 | 175.6 | 0 | 0 | 0 | 107.8 | I540 | I540-I542 HydrophobicContact CG2-CG1 4.25Š|
| 543 | C | 40.7 | Very low | 37.3 | Very low | 194 Ų | 194 | 155.3 Ų | 155.3 | 100% | 1.311 | 86% | 0.858 | S | S | * | * | | | trans | -109.4 | 0 | 172.6 | -71.2 | 0 | 0 | 0 | 0 | 110.6 | | |