| 1 | M | 38.8 | Very low | 46.1 | Very low | 237 Ų | 237 | 154.9 Ų | 154.9 | 100% | 1.167 | 80% | 0.796 | S | S | * | * | | | | 0 | 132.5 | 0 | -106.1 | 68.7 | 164 | 0 | 0 | 108.2 | | |
| 2 | A | 42 | Very low | 45.8 | Very low | 96 Ų | 96 | 155.4 Ų | 155.4 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | 46.5 | 112.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 3 | D | 43.9 | Very low | 45.5 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | trans | -63.8 | 165.4 | 133.5 | -63 | -59.7 | 0 | 0 | 0 | 109.5 | | |
| 4 | P | 57.4 | Low | 45.3 | Very low | 127 Ų | 127 | 153.5 Ų | 153.5 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | | -141.6 | 159.4 | 93.7 | 36.2 | -21.8 | 0 | 0 | 0 | 115.6 | | |
| 5 | R | 46.8 | Very low | 44.9 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | -64 | 160.1 | 167.8 | -53.6 | 177.5 | 178.2 | -178.3 | -1.8 | 111.9 | E7 | R5-E7 WeakPolarHBondContact CD-OE1 3.2Å; R5-E7 IonicContact CZ-OE1 3.86Å; R5-E7 IonicContact NE-OE1 2.61Å; R5-E7 IonicContact NH1-OE1 3.62Å; R5-E7 PolarHBondContact NH1-OE1 2.66Å |
| 6 | Q | 51.7 | Low | 44.4 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -131 | 125.6 | 136.9 | -89 | -174.3 | -15.1 | 0 | 0 | 109.7 | | |
| 7 | E | 52.4 | Low | 43.8 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 58% | 0.579 | 78% | 0.779 | S | S | * | * | | | trans | -94.8 | 151.3 | 167.3 | -70.1 | 153.9 | -159.9 | 0 | 0 | 107.9 | R5 | R5-E7 WeakPolarHBondContact CD-OE1 3.2Å; R5-E7 IonicContact CZ-OE1 3.86Å; R5-E7 IonicContact NE-OE1 2.61Å; R5-E7 IonicContact NH1-OE1 3.62Å; R5-E7 PolarHBondContact NH1-OE1 2.66Å |
| 8 | F | 42.6 | Very low | 43.4 | Very low | 193 Ų | 193 | 147.1 Ų | 147.1 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | -147.2 | 123.1 | 154.9 | -96.1 | -74.7 | 0 | 0 | 0 | 109.7 | | |
| 9 | D | 40.6 | Very low | 43.4 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | trans | -57.9 | 175.4 | 161.7 | -57.9 | -88.3 | 0 | 0 | 0 | 110.8 | | |
| 10 | T | 45.5 | Very low | 43.5 | Very low | 110 Ų | 110 | 145 Ų | 145 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | | | cis | -172.1 | 148.5 | 42.7 | -16.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 11 | M | 45.9 | Very low | 43.4 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | | | trans | 39.2 | 126.4 | 130.8 | -68.1 | 167.3 | -175.6 | 0 | 0 | 120.4 | | |
| 12 | E | 42.3 | Very low | 43.6 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | | 68.6 | 145.2 | 98.8 | -61.7 | 170.4 | 144.9 | 0 | 0 | 113.9 | | |
| 13 | D | 41.7 | Very low | 43.4 | Very low | 120 Ų | 120 | 144 Ų | 144 | 64% | 0.642 | 75% | 0.752 | S | S | * | * | | | cis | -162.4 | 169.8 | -4.6 | -135.3 | -25.8 | 0 | 0 | 0 | 112.6 | | |
| 14 | H | 42.3 | Very low | 43.4 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | | | trans | 62.8 | 144.2 | 144.3 | -77.3 | 24.7 | 0 | 0 | 0 | 125.4 | | |
| 15 | A | 39.2 | Very low | 42.5 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | | | trans | 65 | 140.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 16 | G | 37.1 | Very low | 42.1 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | cis | 97.9 | 134.3 | 45.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 17 | D | 34.2 | Very low | 41.4 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | | | cis | -170.2 | -171.4 | 21.5 | 179.1 | 19.5 | 0 | 0 | 0 | 108.4 | | |
| 18 | Y | 37.5 | Very low | 41 | Very low | 190 Ų | 190 | 140 Ų | 140 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | | | trans | 77.1 | 133.6 | 168.9 | -49.2 | -87.1 | 0 | 0 | 0 | 117.7 | | |
| 19 | T | 43.2 | Very low | 40.8 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | | | cis | -161 | 131.1 | -7.3 | 11.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 20 | L | 44.5 | Very low | 40.9 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | | | | 43.6 | 122.5 | 120.8 | -166.4 | 67.9 | 0 | 0 | 0 | 122.3 | | |
| 21 | L | 41.3 | Very low | 40.2 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | | | | -153.5 | 163.2 | 120.9 | -105.5 | 176.6 | 0 | 0 | 0 | 110.6 | | |
| 22 | Q | 43.2 | Very low | 40 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | trans | -124.5 | -179.6 | -151.3 | -172.4 | 163.6 | -7.4 | 0 | 0 | 113.2 | | |
| 23 | D | 38.6 | Very low | 39.7 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | 106.2 | 135.2 | 166.7 | -52.5 | -14.2 | 0 | 0 | 0 | 115.1 | | |
| 24 | Q | 43.6 | Very low | 39.5 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 58% | 0.584 | 79% | 0.786 | S | S | * | * | | | cis | -169.5 | 141.1 | -20.3 | -173.6 | 70.5 | 10.6 | 0 | 0 | 108.7 | | |
| 25 | E | 38 | Very low | 39.3 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 56.8 | 150 | 163.7 | -74.6 | 147.7 | -149.2 | 0 | 0 | 118.8 | | |
| 26 | G | 38 | Very low | 39.2 | Very low | 77 Ų | 77 | 146.9 Ų | 146.9 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | cis | 131.2 | 140 | 25.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 27 | D | 37 | Very low | 39.3 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | cis | -156 | 173.7 | 16.1 | -160.5 | -6.5 | 0 | 0 | 0 | 109.9 | | |
| 28 | M | 45.8 | Very low | 39.3 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | | | trans | -99.2 | 165.9 | 177.9 | -61.7 | -178.7 | 179.9 | 0 | 0 | 112.5 | | |
| 29 | D | 36.7 | Very low | 39.6 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | | | | 149 | 166.6 | 114.5 | -131.1 | -27.3 | 0 | 0 | 0 | 116.2 | | |
| 30 | H | 42.8 | Very low | 39.4 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | | | trans | -84.6 | 161.2 | -166.4 | -71.7 | -90.8 | 0 | 0 | 0 | 116.6 | | |
| 31 | G | 31.4 | Very low | 39.1 | Very low | 76 Ų | 76 | 142.1 Ų | 142.1 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | trans | -162.4 | 114.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 32 | L | 42.2 | Very low | 39.2 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | | | trans | -116 | 123.1 | 167.1 | -73.7 | 171.5 | 0 | 0 | 0 | 110.3 | | |
| 33 | K | 34.9 | Very low | 39.5 | Very low | 204 Ų | 204 | 139.1 Ų | 139.1 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | 175.2 | 134.7 | 155.3 | -99 | 167.1 | 176.7 | -179.5 | 0 | 107 | | |
| 34 | A | 37.9 | Very low | 39.7 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | | | cis | 83.3 | 126.4 | 46.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 35 | E | 37.9 | Very low | 39.7 | Very low | 194 Ų | 194 | 141 Ų | 141 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | | | trans | 58.1 | 120.9 | 172.7 | -69 | -115.6 | 124.1 | 0 | 0 | 119.1 | | |
| 36 | E | 37.2 | Very low | 39.9 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | | | | -153.6 | 145.9 | 117.5 | -159.4 | 169.6 | 164.5 | 0 | 0 | 110.7 | | |
| 37 | A | 39.8 | Very low | 40.1 | Very low | 86 Ų | 86 | 143.6 Ų | 143.6 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | | | trans | -88.9 | 134.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 38 | G | 33.8 | Very low | 40.5 | Very low | 84 Ų | 84 | 142.9 Ų | 142.9 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | | | trans | -113.9 | 86 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 39 | I | 43.7 | Very low | 40 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | trans | -73.2 | 122.9 | 163.3 | -60.6 | 172.8 | 0 | 0 | 0 | 106.8 | | |
| 40 | G | 38.2 | Very low | 40.1 | Very low | 71 Ų | 71 | 137.5 Ų | 137.5 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | | | trans | -138 | 114.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 41 | D | 38.5 | Very low | 39.6 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | trans | -66.6 | 154.4 | -163.8 | -67.3 | -67 | 0 | 0 | 0 | 115.9 | P43 | D41-P43 VanDerWaalsContact O-CD 3.32Å; D41-P43 WeakPolarHBondContact O-CD 3.32Å |
| 42 | T | 45.1 | Very low | 39.7 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | | | trans | -71.1 | 124.5 | 164.8 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 43 | P | 49.2 | Very low | 39.5 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -91.3 | 105.1 | 154.9 | 32.2 | -26.7 | 0 | 0 | 0 | 109.4 | D41 Q45 | D41-P43 VanDerWaalsContact O-CD 3.32Å; D41-P43 WeakPolarHBondContact O-CD 3.32Å; P43-Q45 PolarHBondContact O-N 3.42Å |
| 44 | N | 41.2 | Very low | 39.5 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -58 | 127.5 | 161.6 | 179 | 42.1 | 0 | 0 | 0 | 108.9 | | |
| 45 | Q | 44.3 | Very low | 39.3 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -131.5 | 128.5 | 164.4 | -80.5 | -167.5 | 54.5 | 0 | 0 | 110.5 | P43 | P43-Q45 PolarHBondContact O-N 3.42Š|
| 46 | E | 42.3 | Very low | 38.9 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -82.9 | 133.6 | -173 | -68.9 | 166.7 | 112.3 | 0 | 0 | 111.3 | | |
| 47 | D | 43.1 | Very low | 38.6 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | | | trans | 77.1 | 163.2 | 131.7 | -155.5 | 21.3 | 0 | 0 | 0 | 120.7 | | |
| 48 | Q | 43.8 | Very low | 38.4 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | 77.9 | 89.9 | 169.5 | -57.3 | -57.1 | -32.2 | 0 | 0 | 118.5 | | |
| 49 | A | 36.2 | Very low | 38.3 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | | | trans | -83.6 | 109.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 50 | A | 39 | Very low | 38 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | trans | -158.2 | 137.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 51 | G | 32.4 | Very low | 37.9 | Very low | 70 Ų | 70 | 134.9 Ų | 134.9 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | cis | 126.5 | 143.3 | 23.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 52 | H | 33.5 | Very low | 37.7 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | | | trans | 71.6 | 109 | -179.5 | -126.2 | -93.3 | 0 | 0 | 0 | 115.1 | | |
| 53 | V | 38.3 | Very low | 37.4 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | | | | 65.7 | 100.5 | 61.3 | -177.2 | 0 | 0 | 0 | 0 | 114 | | |
| 54 | T | 34.7 | Very low | 36.5 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | | | trans | -167.8 | 125.3 | 133.3 | 21.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 55 | Q | 32.5 | Very low | 36 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | | 57.6 | 136.3 | 100.7 | -67.9 | -163.7 | 44.5 | 0 | 0 | 115 | | |
| 56 | A | 30.3 | Very low | 35.7 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | cis | -169.4 | 176.3 | -2.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 57 | R | 31.3 | Very low | 35.3 | Very low | 241 Ų | 241 | 133.9 Ų | 133.9 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | | | trans | 65.8 | 158.8 | 161.4 | -85.3 | 179.5 | 155.8 | 133.4 | -4.9 | 115.5 | | |
| 58 | V | 34.8 | Very low | 34.9 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | cis | -146.2 | 143.1 | -3.1 | -113.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 59 | A | 32.6 | Very low | 34.7 | Very low | 86 Ų | 86 | 138.5 Ų | 138.5 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | 42.8 | 148.7 | 131.3 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 60 | S | 35.7 | Very low | 34.5 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | 77.7 | 147.4 | 154.3 | -63.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 61 | K | 37.8 | Very low | 34.4 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | cis | -171 | 135.7 | -13.5 | 169.1 | 168.4 | -179.2 | 177.3 | 0 | 111.2 | | |
| 62 | D | 33 | Very low | 34.3 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | | | trans | 55.6 | 147.9 | 151.5 | -69.4 | -24.1 | 0 | 0 | 0 | 125.8 | | |
| 63 | R | 38.7 | Very low | 34 | Very low | 213 Ų | 213 | 144.4 Ų | 144.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 89.8 | 94 | 140.4 | -78.7 | 153.4 | -165.1 | -130.8 | -0.2 | 122.7 | | |
| 64 | T | 31.9 | Very low | 33.9 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | | | | 19.7 | 135.2 | 113.7 | 57.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 65 | G | 30.4 | Very low | 34 | Very low | 81 Ų | 81 | 145.8 Ų | 145.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -167 | 125.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 66 | N | 37.2 | Very low | 33.9 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | | | trans | -91.7 | 160.8 | 174.3 | -113.3 | 15.3 | 0 | 0 | 0 | 110.3 | | |
| 67 | D | 34.7 | Very low | 34.3 | Very low | 148 Ų | 148 | 147 Ų | 147 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | | | | -172.8 | 154 | 115.3 | -116.4 | -34.3 | 0 | 0 | 0 | 115.6 | | |
| 68 | E | 34.9 | Very low | 34.3 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -89.7 | 165.5 | 174.1 | -63.2 | 177.5 | 89.1 | 0 | 0 | 112.7 | | |
| 69 | K | 38.9 | Very low | 34.2 | Very low | 212 Ų | 212 | 140.7 Ų | 140.7 | 92% | 0.922 | 82% | 0.815 | S | S | * | * | | | trans | -164.1 | 161.4 | 137.2 | -108 | 146.8 | -166.3 | 166 | 0 | 114.9 | | |
| 70 | K | 31.3 | Very low | 34.2 | Very low | 198 Ų | 198 | 141.2 Ų | 141.2 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | | | trans | -140.7 | 143.1 | -161.1 | 159.8 | -174.9 | 174.4 | -179.3 | 0 | 110.9 | | |
| 71 | A | 36.7 | Very low | 34.3 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | | | trans | -123.6 | 171.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 72 | K | 31.2 | Very low | 34.1 | Very low | 204 Ų | 204 | 145.8 Ų | 145.8 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | | | trans | -166.6 | 121.4 | -170.5 | 169.3 | -123.7 | 173.8 | -177 | 0 | 114.4 | | |
| 73 | G | 27.4 | Very low | 34 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 83% | 0.834 | S | S | * | * | | | trans | 119.9 | 175.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 74 | A | 35.8 | Very low | 33.9 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 72% | 0.719 | 84% | 0.837 | S | S | * | * | | | cis | -174.7 | 144.7 | -25.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 75 | D | 36.1 | Very low | 34.6 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 92% | 0.92 | 83% | 0.832 | S | S | * | * | | | trans | 51.3 | 140.2 | 152.2 | -58.7 | -54.2 | 0 | 0 | 0 | 124.3 | | |
| 76 | G | 31.4 | Very low | 34.6 | Very low | 80 Ų | 80 | 147.6 Ų | 147.6 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | | | trans | -173.5 | 131.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 77 | K | 38.2 | Very low | 34.1 | Very low | 205 Ų | 205 | 143.5 Ų | 143.5 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | | | trans | -147.7 | 132 | -164.9 | 174.2 | -171.9 | -180 | -178 | 0 | 112.7 | | |
| 78 | T | 31.8 | Very low | 34 | Very low | 150 Ų | 150 | 142 Ų | 142 | 92% | 0.92 | 84% | 0.84 | S | S | * | * | | | trans | -147.2 | 162.8 | 165.2 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 79 | G | 31.9 | Very low | 33.9 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | | | trans | 179.9 | 162.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 80 | A | 33.3 | Very low | 33.7 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 80% | 0.802 | 83% | 0.833 | S | S | * | * | | | trans | -156.3 | 131.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 81 | K | 37.3 | Very low | 34.3 | Very low | 199 Ų | 199 | 130.7 Ų | 130.7 | 87% | 0.865 | 83% | 0.834 | S | S | * | * | | | cis | 79.3 | 113 | 49.4 | -65.5 | -132.6 | -170.9 | -177.2 | 0 | 114.7 | | |
| 82 | I | 33.8 | Very low | 34.1 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 94% | 0.944 | 83% | 0.831 | S | S | * | * | | | trans | -170.2 | 152.7 | 141.8 | -91.8 | 148.7 | 0 | 0 | 0 | 107.1 | | |
| 83 | A | 31.9 | Very low | 34.5 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 67% | 0.669 | 83% | 0.831 | S | S | * | * | | | trans | -151.1 | 136.9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 84 | T | 35.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | | | trans | 60 | 174.5 | 147.4 | 30.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 85 | P | 47.3 | Very low | 34.3 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 84% | 0.836 | S | S | * | * | | | cis | -135.7 | -163.5 | 7.8 | 42.3 | -22.2 | 0 | 0 | 0 | 117 | | |
| 86 | R | 29.6 | Very low | 34.1 | Very low | 251 Ų | 251 | 132.9 Ų | 132.9 | 95% | 0.947 | 83% | 0.829 | S | S | * | * | | | trans | 79.8 | 142.3 | 173.4 | -73.8 | 178.8 | 165.3 | 158.4 | -4.5 | 117.9 | | |
| 87 | G | 28.2 | Very low | 34.4 | Very low | 71 Ų | 71 | 133.8 Ų | 133.8 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | | | cis | 157.2 | 138.4 | -12.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 88 | A | 31.3 | Very low | 34 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 97% | 0.967 | 82% | 0.821 | S | S | * | * | | | trans | 67.2 | 167.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 89 | A | 32.6 | Very low | 34 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | trans | -118.6 | 163.5 | -158.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 90 | S | 34.5 | Very low | 34.2 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | trans | 33.9 | 140.3 | 154.1 | -56.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 91 | P | 44 | Very low | 34.3 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | | | | -134.5 | 172.4 | 110.3 | 38.5 | -30.6 | 0 | 0 | 0 | 114.1 | | |
| 92 | A | 33.1 | Very low | 34.3 | Very low | 94 Ų | 94 | 135 Ų | 135 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | | | trans | -123.5 | 143.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 93 | Q | 38.7 | Very low | 34.7 | Very low | 189 Ų | 189 | 131.5 Ų | 131.5 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | -172.1 | 119.6 | 154.1 | -103.5 | 168 | 2 | 0 | 0 | 107 | | |
| 94 | K | 31.2 | Very low | 35 | Very low | 209 Ų | 209 | 132.6 Ų | 132.6 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | | 69.8 | 122.2 | 71.9 | -89.7 | -165 | 177.1 | -176.8 | 0 | 115.2 | | |
| 95 | G | 28.8 | Very low | 34.8 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | | | trans | 155.3 | 64.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 96 | T | 32.8 | Very low | 34 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | | 48.7 | 91.4 | 95.7 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 97 | S | 36.6 | Very low | 34.2 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | | 77.5 | 116.3 | 81.8 | 69.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 98 | N | 30.4 | Very low | 35 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | | | trans | -163.9 | 115.6 | 139.9 | -89.8 | -29.6 | 0 | 0 | 0 | 106.6 | | |
| 99 | A | 30.8 | Very low | 35.1 | Very low | 88 Ų | 88 | 132 Ų | 132 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | | 82.4 | 102.2 | 64.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 100 | T | 36.6 | Very low | 35.3 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | | | trans | -141.8 | 142.9 | 138.1 | -68.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 101 | R | 35.6 | Very low | 35.2 | Very low | 214 Ų | 214 | 137 Ų | 137 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | | | trans | -137.2 | 156.2 | -163.5 | -165.7 | -161.6 | -131.2 | -145.1 | 4.4 | 109 | | |
| 102 | I | 37 | Very low | 34.9 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | trans | 61.2 | 164.8 | 164.1 | 38.8 | -179.5 | 0 | 0 | 0 | 117.1 | | |
| 103 | P | 42.5 | Very low | 35.8 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | | | cis | -127.7 | 164.4 | -3.2 | 22.3 | 0.7 | 0 | 0 | 0 | 116.2 | | |
| 104 | A | 37.5 | Very low | 36.3 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -86 | 127.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 105 | K | 30.8 | Very low | 36.3 | Very low | 205 Ų | 205 | 128.4 Ų | 128.4 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | | | trans | -155.3 | 145.7 | 160.1 | -148 | 174.2 | -176.8 | -178 | 0 | 111 | | |
| 106 | T | 31.6 | Very low | 36.7 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | trans | -91 | 143.1 | -169.2 | 47 | 0 | 0 | 0 | 0 | 113.8 | | |
| 107 | T | 34.8 | Very low | 36.6 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | | | trans | 61.6 | 145.4 | 145.2 | 52 | 0 | 0 | 0 | 0 | 118.7 | | |
| 108 | P | 43 | Very low | 36.6 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | | -136.6 | 178 | 52.1 | 35.1 | -13.8 | 0 | 0 | 0 | 117.8 | | |
| 109 | S | 33.4 | Very low | 38.4 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | trans | -77.1 | 177.9 | -170.6 | 55.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 110 | P | 36.8 | Very low | 39.3 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | | -137.7 | 145.4 | 106.3 | 18.2 | 2.6 | 0 | 0 | 0 | 117.1 | | |
| 111 | K | 34.1 | Very low | 39.3 | Very low | 193 Ų | 193 | 134 Ų | 134 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | 77.6 | 70.3 | 149 | -63.3 | 176.4 | -178.9 | -177 | 0 | 121.1 | | |
| 112 | T | 36.3 | Very low | 39.1 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | | -14.1 | 177 | 121.2 | 20.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 113 | P | 52.2 | Low | 38.9 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | | | cis | -142.7 | -153.7 | -16 | 38.1 | -15.5 | 0 | 0 | 0 | 112.8 | | |
| 114 | P | 50.2 | Low | 38.4 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | cis | -127.1 | 164.2 | -21.9 | 18.7 | 4.9 | 0 | 0 | 0 | 116.4 | | |
| 115 | G | 31.1 | Very low | 38.3 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | | | trans | -170.4 | 86.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 116 | S | 35.9 | Very low | 38.7 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | -94 | 154 | 175.4 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 117 | G | 32.5 | Very low | 38.9 | Very low | 69 Ų | 69 | 130.9 Ų | 130.9 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | cis | 175.1 | 156.4 | -4.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 118 | E | 35.3 | Very low | 39 | Very low | 199 Ų | 199 | 135.4 Ų | 135.4 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | | | trans | 76.9 | 153.8 | 149.7 | -64.6 | -159.2 | 101.2 | 0 | 0 | 123.9 | | |
| 119 | P | 67.8 | Low | 38.7 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | | | trans | -116.7 | -159.1 | -167.9 | 46.9 | -29.1 | 0 | 0 | 0 | 110.7 | | |
| 120 | P | 50.3 | Low | 39.3 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | | | cis | -151.4 | 170 | 42.2 | 41.7 | -18.2 | 0 | 0 | 0 | 120.5 | | |
| 121 | K | 37.1 | Very low | 39.6 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | 54 | 140.1 | 145.7 | -74.5 | 179 | 178.3 | 178.3 | 0 | 124.1 | | |
| 122 | S | 31.2 | Very low | 39.5 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | | | trans | 67.6 | 155.1 | 166.5 | 72 | 0 | 0 | 0 | 0 | 116.3 | | |
| 123 | G | 32.3 | Very low | 39.8 | Very low | 72 Ų | 72 | 127.8 Ų | 127.8 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | cis | -150.2 | -156.8 | 0.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 124 | E | 32.4 | Very low | 39.5 | Very low | 193 Ų | 193 | 129 Ų | 129 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | trans | -74.2 | 166 | -164.7 | -61.1 | 158.4 | 105.5 | 0 | 0 | 116.1 | | |
| 125 | R | 34.9 | Very low | 38.5 | Very low | 247 Ų | 247 | 126 Ų | 126 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | | | trans | 104.5 | 152.2 | 138.3 | -127.8 | 168.7 | -170.2 | -133.1 | 2.4 | 118.8 | | |
| 126 | S | 40.4 | Very low | 38.8 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -87.5 | 149.5 | -163.3 | 52.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 127 | G | 35.1 | Very low | 39.2 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | | 99.3 | 128.4 | 127.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 128 | Y | 37.8 | Very low | 39.1 | Very low | 226 Ų | 226 | 129.6 Ų | 129.6 | 89% | 0.886 | 80% | 0.803 | S | S | * | * | | | trans | 73.9 | 113.9 | 144.5 | -150.1 | -111.9 | 0 | 0 | 0 | 121.2 | | |
| 129 | S | 36.7 | Very low | 39.6 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 52% | 0.517 | 80% | 0.797 | S | S | . | * | | | trans | 78.6 | 130 | 143.4 | -68.6 | 0 | 0 | 0 | 0 | 123.5 | | |
| 130 | S | 44.6 | Very low | 38 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | 60.7 | 145.4 | 144 | -56.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 131 | P | 44.6 | Very low | 37.5 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | trans | -129 | 152.3 | 137.7 | 36.4 | -26.2 | 0 | 0 | 0 | 112.7 | | |
| 132 | G | 30.8 | Very low | 37.5 | Very low | 71 Ų | 71 | 133.7 Ų | 133.7 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | trans | -106.2 | 160.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 133 | S | 42.8 | Very low | 37.9 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | 4.6 | 152.1 | 159.7 | -45.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 134 | P | 45.4 | Very low | 38.4 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | | | | -122.1 | 167.5 | 127.1 | 37.1 | -29.4 | 0 | 0 | 0 | 111.7 | | |
| 135 | G | 29.5 | Very low | 38.3 | Very low | 63 Ų | 63 | 131.5 Ų | 131.5 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | | | trans | -152.5 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 136 | T | 38.4 | Very low | 38.5 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | 58.7 | 157.1 | 165.5 | 60.7 | 0 | 0 | 0 | 0 | 118 | | |
| 137 | P | 42.3 | Very low | 38.8 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | | | cis | -103.7 | -158.2 | 11.3 | 45.6 | -38 | 0 | 0 | 0 | 112 | | |
| 138 | G | 31.3 | Very low | 39 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | cis | -175.3 | -160 | 7.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 139 | S | 45.4 | Very low | 39.8 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | -130.3 | 142.7 | 177.6 | 171 | 0 | 0 | 0 | 0 | 111.7 | | |
| 140 | R | 34.5 | Very low | 40.4 | Very low | 252 Ų | 252 | 125.5 Ų | 125.5 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | | | trans | -170.2 | 154.3 | 147.7 | -103.2 | 150.5 | -165 | 169 | 5.4 | 113.5 | | |
| 141 | S | 39.2 | Very low | 39.9 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -108.5 | 159.8 | -173.9 | 162.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 142 | R | 37.9 | Very low | 39.8 | Very low | 225 Ų | 225 | 131 Ų | 131 | 85% | 0.849 | 79% | 0.79 | S | S | * | * | | | trans | 149.8 | 113.8 | 149.6 | -82.7 | 162.3 | -166.6 | -153.9 | 4.1 | 110.1 | | |
| 143 | T | 38.9 | Very low | 40.3 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | | | | 59.5 | 145.1 | 83.1 | 64.4 | 0 | 0 | 0 | 0 | 114 | | |
| 144 | P | 42.8 | Very low | 40.6 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | | | cis | -108.8 | -157.3 | 32.2 | 24.9 | -2.3 | 0 | 0 | 0 | 112.2 | | |
| 145 | S | 31.8 | Very low | 40.5 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | cis | -153.1 | 176.2 | 17.8 | -54.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 146 | L | 39.1 | Very low | 41.3 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 73% | 0.728 | 80% | 0.797 | S | S | * | * | | | trans | -135.4 | 163.1 | 168 | -148.7 | 75 | 0 | 0 | 0 | 108.3 | T148 | L146-T148 HydrophobicContact CD2-CG2 4.2Š|
| 147 | P | 45.4 | Very low | 41.6 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | | -145.7 | -175.3 | 88.4 | 36.2 | -16.4 | 0 | 0 | 0 | 115.5 | | |
| 148 | T | 40.1 | Very low | 41.4 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | | | trans | -114.6 | -167.6 | -152.2 | -2.7 | 0 | 0 | 0 | 0 | 114.5 | L146 | L146-T148 HydrophobicContact CD2-CG2 4.2Š|
| 149 | P | 53.8 | Low | 41.9 | Very low | 112 Ų | 112 | 145 Ų | 145 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -104.8 | -168.3 | -144.7 | 46.6 | -37 | 0 | 0 | 0 | 114.8 | | |
| 150 | P | 50.3 | Low | 41.5 | Very low | 109 Ų | 109 | 145 Ų | 145 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | | | | -155.3 | 164.6 | 87.2 | 40 | -19.6 | 0 | 0 | 0 | 119.8 | | |
| 151 | T | 34.6 | Very low | 42.1 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | | | trans | 62.4 | 108.5 | 147.7 | 50.8 | 0 | 0 | 0 | 0 | 123.3 | | |
| 152 | R | 40.9 | Very low | 42.6 | Very low | 242 Ų | 242 | 144.3 Ų | 144.3 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | | | | 177.4 | 130.2 | 98.2 | -97.3 | -173.8 | 171.7 | -175 | -2.7 | 112.9 | | |
| 153 | E | 41.8 | Very low | 43 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -66.8 | 178 | 170.3 | -11.9 | -77.3 | 118.7 | 0 | 0 | 113.6 | | |
| 154 | P | 48.4 | Very low | 43.5 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | cis | -140.2 | 173.1 | -9.7 | 33 | -11.8 | 0 | 0 | 0 | 116.9 | | |
| 155 | K | 43.4 | Very low | 43.7 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | 62.8 | 102.5 | 153.3 | -68.8 | 158.4 | -176.2 | 178.9 | 0 | 119.9 | | |
| 156 | K | 46.8 | Very low | 44 | Very low | 216 Ų | 216 | 143.4 Ų | 143.4 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | | | | -146.4 | 148.8 | 120.5 | -74 | -151.3 | 177.6 | -176.3 | 0 | 110.6 | | |
| 157 | V | 45.1 | Very low | 44.6 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | -80.2 | 132 | -167.3 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 158 | A | 38.2 | Very low | 44.4 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | trans | -82.9 | 111.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V160 | A158-V160 PolarHBondContact O-N 2.84Š|
| 159 | V | 42 | Very low | 44.6 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | -90.1 | 95.4 | 164.9 | 177 | 0 | 0 | 0 | 0 | 108.3 | R161 | V159-R161 PolarHBondContact O-N 2.87Å; V159-R161 VanDerWaalsContact O-N 3.08Å |
| 160 | V | 37.3 | Very low | 44.1 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | | | trans | -66.4 | 104.3 | 167.7 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | A158 T162 | A158-V160 PolarHBondContact O-N 2.84Å; V160-T162 VanDerWaalsContact C-N 3.26Å; V160-T162 HydrophobicContact CG1-CG2 4.22Å; V160-T162 PolarHBondContact O-N 2.91Å |
| 161 | R | 45.6 | Very low | 44 | Very low | 237 Ų | 237 | 145.8 Ų | 145.8 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | | | trans | -72.8 | 81.7 | 170.6 | -84.3 | -178 | 151.2 | 146.4 | -5.8 | 110 | V159 | V159-R161 PolarHBondContact O-N 2.87Å; V159-R161 VanDerWaalsContact O-N 3.08Å |
| 162 | T | 51.1 | Low | 44.5 | Very low | 105 Ų | 105 | 146 Ų | 146 | 64% | 0.644 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 140.1 | 157.3 | 45.6 | 0 | 0 | 0 | 0 | 109.1 | V160 | V160-T162 VanDerWaalsContact C-N 3.26Å; V160-T162 HydrophobicContact CG1-CG2 4.22Å; V160-T162 PolarHBondContact O-N 2.91Å |
| 163 | P | 46.6 | Very low | 44.5 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 131 | 170 | 26.3 | -32.1 | 0 | 0 | 0 | 108.8 | K165 | P163-K165 PolarHBondContact O-N 2.87Š|
| 164 | P | 49.3 | Very low | 44.5 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 136.3 | -173.7 | 26 | -33.6 | 0 | 0 | 0 | 111.4 | S166 | P164-S166 PolarHBondContact O-N 3Š|
| 165 | K | 45.7 | Very low | 44.2 | Very low | 205 Ų | 205 | 149 Ų | 149 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 130.6 | 169.8 | -76.4 | 174.9 | 174.9 | 174 | 0 | 109.8 | P163 | P163-K165 PolarHBondContact O-N 2.87Š|
| 166 | S | 39.6 | Very low | 44.4 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 134 | 170.7 | 31.6 | 0 | 0 | 0 | 0 | 111 | P164 | P164-S166 PolarHBondContact O-N 3Š|
| 167 | P | 50.5 | Low | 44.7 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 138.3 | 177.3 | 31 | -33.4 | 0 | 0 | 0 | 111.2 | | |
| 168 | S | 40.7 | Very low | 45.1 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 126.8 | 176.8 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 169 | A | 45.7 | Very low | 46 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | 35.1 | 120.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 170 | S | 42 | Very low | 47.1 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | | -155.7 | 146.9 | 112.2 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 171 | K | 49.3 | Very low | 47.8 | Very low | 203 Ų | 203 | 143.4 Ų | 143.4 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 79.5 | 116.1 | 169.6 | -59.5 | -178.6 | -179.7 | 176 | 0 | 119.6 | | |
| 172 | S | 44.1 | Very low | 48.9 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | 68.3 | 93.6 | 152.8 | -158.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 173 | R | 41.6 | Very low | 49.6 | Very low | 227 Ų | 227 | 137.6 Ų | 137.6 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | | | | -171.5 | 104.8 | 128.4 | -175.2 | 155.3 | -77.8 | 165.8 | -4.6 | 111.9 | | |
| 174 | L | 41.1 | Very low | 50.4 | Low | 159 Ų | 159 | 138.3 Ų | 138.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | 38.9 | 96.8 | 151.8 | -60.4 | 169.4 | 0 | 0 | 0 | 118.7 | | |
| 175 | Q | 43 | Very low | 51.2 | Low | 193 Ų | 193 | 140.4 Ų | 140.4 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | | | trans | -89.4 | 128.2 | 149.8 | -70 | -177.1 | -7.6 | 0 | 0 | 109.1 | A177 | Q175-A177 PolarHBondContact O-N 3.08Å; Q175-A177 VanDerWaalsContact O-N 3.14Å |
| 176 | T | 46.3 | Very low | 51.9 | Low | 146 Ų | 146 | 138.1 Ų | 138.1 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | | | trans | -84.9 | 83.6 | 178.3 | -37.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 177 | A | 54.8 | Low | 52.8 | Low | 67 Ų | 67 | 138.5 Ų | 138.5 | 55% | 0.554 | 79% | 0.785 | S | S | * | * | | | trans | -79 | 146.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q175 V179 | Q175-A177 PolarHBondContact O-N 3.08Å; Q175-A177 VanDerWaalsContact O-N 3.14Å; A177-V179 PolarHBondContact O-N 3.08Å |
| 178 | P | 51.8 | Low | 53.4 | Low | 130 Ų | 130 | 143.3 Ų | 143.3 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | | | trans | -73.8 | 100.3 | 176.3 | 30.1 | -32.9 | 0 | 0 | 0 | 109.8 | | |
| 179 | V | 57.6 | Low | 54.3 | Low | 128 Ų | 128 | 141.4 Ų | 141.4 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 130.9 | 177.3 | -159.9 | 0 | 0 | 0 | 0 | 109.3 | A177 M181 | A177-V179 PolarHBondContact O-N 3.08Å; V179-M181 PolarHBondContact O-N 3.34Å |
| 180 | P | 65.6 | Low | 55 | Low | 115 Ų | 115 | 147 Ų | 147 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 133.5 | 172.3 | -22.3 | 33.6 | 0 | 0 | 0 | 111 | | |
| 181 | M | 52.5 | Low | 55.6 | Low | 168 Ų | 168 | 147.7 Ų | 147.7 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59 | 136.9 | 177.5 | -74.8 | -93.3 | -72.3 | 0 | 0 | 111.1 | V179 D183 | V179-M181 PolarHBondContact O-N 3.34Å; M181-D183 PolarHBondContact O-N 2.95Å |
| 182 | P | 68.1 | Low | 56 | Low | 113 Ų | 113 | 140.3 Ų | 140.3 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 133.9 | 175 | -21.8 | 33 | 0 | 0 | 0 | 111.7 | L184 | P182-L184 PolarHBondContact O-N 3.19Š|
| 183 | D | 65 | Low | 56.5 | Low | 108 Ų | 108 | 138.3 Ų | 138.3 | 58% | 0.578 | 74% | 0.742 | S | S | * | * | | | trans | -77 | 111.8 | -175.7 | -162.6 | -7.2 | 0 | 0 | 0 | 111.7 | M181 K185 | M181-D183 PolarHBondContact O-N 2.95Å; D183-K185 PolarHBondContact O-N 2.66Å; D183-K185 WeakPolarHBondContact OD1-CD 3.11Å; D183-K185 WeakPolarHBondContact OD1-CE 3.27Å; D183-K185 WeakPolarHBondContact OD1-CG 2.82Å; D183-K185 IonicContact OD1-NZ 3.44Å; D183-K185 PolarHBondContact OD1-NZ 2.96Å; D183-K185 WeakPolarHBondContact OD2-CD 3.26Å; D183-K185 VanDerWaalsContact OD2-CE 3.26Å; D183-K185 WeakPolarHBondContact OD2-CE 3.48Å; D183-K185 IonicContact OD2-NZ 3.76Å; D183-K185 PolarHBondContact OD2-NZ 3.44Å |
| 184 | L | 64.9 | Low | 57.3 | Low | 131 Ų | 131 | 133.2 Ų | 133.2 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -76.1 | -1.9 | -172.7 | -70.2 | 168.8 | 0 | 0 | 0 | 114.5 | P182 N186 V187 | P182-L184 PolarHBondContact O-N 3.19Å; L184-N186 PolarHBondContact O-N 3.15Å; L184-V187 HydrophobicContact CD2-CG2 4.06Å; L184-V187 PolarHBondContact O-N 3.37Å |
| 185 | K | 64.8 | Low | 58.1 | Low | 167 Ų | 167 | 133.3 Ų | 133.3 | 73% | 0.726 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -58.9 | -21.9 | -169.4 | -72.6 | 165.5 | -157.9 | 153.8 | 0 | 115.6 | D183 | D183-K185 PolarHBondContact O-N 2.66Å; D183-K185 WeakPolarHBondContact OD1-CD 3.11Å; D183-K185 WeakPolarHBondContact OD1-CE 3.27Å; D183-K185 WeakPolarHBondContact OD1-CG 2.82Å; D183-K185 IonicContact OD1-NZ 3.44Å; D183-K185 PolarHBondContact OD1-NZ 2.96Å; D183-K185 WeakPolarHBondContact OD2-CD 3.26Å; D183-K185 VanDerWaalsContact OD2-CE 3.26Å; D183-K185 WeakPolarHBondContact OD2-CE 3.48Å; D183-K185 IonicContact OD2-NZ 3.76Å; D183-K185 PolarHBondContact OD2-NZ 3.44Å |
| 186 | N | 61.2 | Low | 58.6 | Low | 158 Ų | 158 | 131.5 Ų | 131.5 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -120.1 | 21.8 | -176.3 | -67.9 | -33.7 | 0 | 0 | 0 | 114.5 | L184 R188 | L184-N186 PolarHBondContact O-N 3.15Å; N186-R188 PolarHBondContact O-N 3.1Å |
| 187 | V | 59 | Low | 59.1 | Low | 119 Ų | 119 | 130.8 Ų | 130.8 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | | | trans | -77 | 86.7 | 173.1 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | L184 | L184-V187 HydrophobicContact CD2-CG2 4.06Å; L184-V187 PolarHBondContact O-N 3.37Å |
| 188 | R | 62.7 | Low | 59.2 | Low | 230 Ų | 230 | 137.7 Ų | 137.7 | 87% | 0.868 | 74% | 0.736 | S | S | * | * | | | trans | -93.1 | 127.3 | 171.2 | -169.4 | 173.7 | -178.5 | 175.2 | 0 | 110.2 | N186 | N186-R188 PolarHBondContact O-N 3.1Š|
| 189 | S | 59.2 | Low | 59.5 | Low | 81 Ų | 81 | 137.9 Ų | 137.9 | 57% | 0.566 | 73% | 0.726 | S | S | * | * | | | trans | -60.5 | 136.6 | 175 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | I191 | S189-I191 VanDerWaalsContact OG-CG1 3.28Å; S189-I191 WeakPolarHBondContact OG-CG1 3.32Å; S189-I191 PolarHBondContact OG-N 2.94Å |
| 190 | K | 61.6 | Low | 59.4 | Low | 211 Ų | 211 | 140 Ų | 140 | 92% | 0.917 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -88.1 | -3.6 | 177.1 | -71.6 | -171.4 | 176.5 | -176.8 | 0 | 114 | | |
| 191 | I | 54.1 | Low | 58.9 | Low | 123 Ų | 123 | 139.3 Ų | 139.3 | 63% | 0.631 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -92.8 | 134.6 | 169.6 | 59.9 | 164.3 | 0 | 0 | 0 | 109.4 | S189 S193 | S189-I191 VanDerWaalsContact OG-CG1 3.28Å; S189-I191 WeakPolarHBondContact OG-CG1 3.32Å; S189-I191 PolarHBondContact OG-N 2.94Å; I191-S193 PolarHBondContact O-N 2.91Å |
| 192 | G | 57.8 | Low | 58.8 | Low | 49 Ų | 49 | 134.9 Ų | 134.9 | 51% | 0.505 | 72% | 0.72 | S | S | . | * | | | trans | -70 | 41.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T194 E195 | G192-T194 PolarHBondContact O-N 3.46Å; G192-E195 PolarHBondContact O-N 3.23Å |
| 193 | S | 52.9 | Low | 57.8 | Low | 81 Ų | 81 | 133.2 Ų | 133.2 | 57% | 0.566 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 29.2 | -168 | -170.8 | 0 | 0 | 0 | 0 | 114.3 | I191 | I191-S193 PolarHBondContact O-N 2.91Š|
| 194 | T | 58.7 | Low | 56.8 | Low | 120 Ų | 120 | 131 Ų | 131 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.5 | -5.9 | 178.2 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | G192 N196 | G192-T194 PolarHBondContact O-N 3.46Å; T194-N196 VanDerWaalsContact C-N 3.28Å; T194-N196 PolarHBondContact O-N 3.45Å |
| 195 | E | 58.2 | Low | 56.3 | Low | 161 Ų | 161 | 134.7 Ų | 134.7 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -4.4 | -167.3 | -65.6 | 174.4 | -143.4 | 0 | 0 | 114.3 | G192 | G192-E195 PolarHBondContact O-N 3.23Š|
| 196 | N | 53 | Low | 55.8 | Low | 155 Ų | 155 | 132.9 Ų | 132.9 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.2 | 18.9 | -179.8 | -107.1 | -44.4 | 0 | 0 | 0 | 115.8 | T194 K198 | T194-N196 VanDerWaalsContact C-N 3.28Å; T194-N196 PolarHBondContact O-N 3.45Å; N196-K198 PolarHBondContact O-N 2.98Å |
| 197 | L | 57.9 | Low | 55.4 | Low | 132 Ų | 132 | 133.2 Ų | 133.2 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | | | trans | -85.2 | 84.8 | 173.2 | -96 | 74.4 | 0 | 0 | 0 | 111.7 | H199 | L197-H199 PolarHBondContact O-N 3.09Å; L197-H199 VanDerWaalsContact O-N 3.09Å |
| 198 | K | 57.3 | Low | 55.4 | Low | 211 Ų | 211 | 135 Ų | 135 | 92% | 0.917 | 74% | 0.74 | S | S | * | * | | | trans | -76.7 | 32.3 | 160.2 | -70 | -162.8 | 177.7 | -174.8 | 0 | 112.8 | N196 | N196-K198 PolarHBondContact O-N 2.98Š|
| 199 | H | 57.9 | Low | 55.3 | Low | 135 Ų | 135 | 129.8 Ų | 129.8 | 63% | 0.625 | 73% | 0.728 | S | S | * | * | | | trans | -95.9 | 102.1 | 179.7 | 179.7 | -101.4 | 0 | 0 | 0 | 110.1 | L197 P201 | L197-H199 PolarHBondContact O-N 3.09Å; L197-H199 VanDerWaalsContact O-N 3.09Å; H199-P201 VanDerWaalsContact O-CD 3.25Å; H199-P201 WeakPolarHBondContact O-CD 3.14Å |
| 200 | Q | 55.7 | Low | 55.1 | Low | 173 Ų | 173 | 132.3 Ų | 132.3 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | | | trans | -74.5 | 111.3 | 168.9 | -160.8 | 72.5 | 25.7 | 0 | 0 | 108.3 | G202 | Q200-G202 PolarHBondContact O-N 2.85Š|
| 201 | P | 54.3 | Low | 54.6 | Low | 99 Ų | 99 | 130.1 Ų | 130.1 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | | | trans | -70 | 110.3 | -176.4 | 28.1 | -33.5 | 0 | 0 | 0 | 110.3 | H199 G203 | H199-P201 VanDerWaalsContact O-CD 3.25Å; H199-P201 WeakPolarHBondContact O-CD 3.14Å; P201-G203 PolarHBondContact O-N 3.14Å |
| 202 | G | 50.5 | Low | 54.9 | Low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 73% | 0.729 | S | S | * | * | | | trans | -65.3 | 96 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q200 G204 | Q200-G202 PolarHBondContact O-N 2.85Å; G202-G204 VanDerWaalsContact C-N 3.32Å; G202-G204 PolarHBondContact O-N 3.05Å |
| 203 | G | 48.1 | Very low | 54.8 | Low | 78 Ų | 78 | 135.5 Ų | 135.5 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | trans | -67.3 | 77.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | P201 K205 | P201-G203 PolarHBondContact O-N 3.14Å; G203-K205 PolarHBondContact O-N 3.3Å |
| 204 | G | 43.9 | Very low | 54.9 | Low | 62 Ų | 62 | 137.9 Ų | 137.9 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | | | trans | -84.4 | 81.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G202 V206 | G202-G204 VanDerWaalsContact C-N 3.32Å; G202-G204 PolarHBondContact O-N 3.05Å; G204-V206 PolarHBondContact O-N 3.47Å |
| 205 | K | 54.2 | Low | 54.6 | Low | 207 Ų | 207 | 136.6 Ų | 136.6 | 90% | 0.9 | 73% | 0.731 | S | S | * | * | | | trans | 12.6 | 73.8 | 150.8 | -57.6 | 174.9 | -176.2 | 175.2 | 0 | 117.5 | G203 Q207 | G203-K205 PolarHBondContact O-N 3.3Å; K205-Q207 PolarHBondContact O-N 3.32Å |
| 206 | V | 54 | Low | 54.7 | Low | 130 Ų | 130 | 133 Ų | 133 | 79% | 0.788 | 72% | 0.723 | S | S | * | * | | | trans | -82.2 | 92.9 | 164.6 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | G204 I208 | G204-V206 PolarHBondContact O-N 3.47Å; V206-I208 HydrophobicContact CG1-CG1 4.29Å; V206-I208 PolarHBondContact O-N 3.19Å |
| 207 | Q | 53.5 | Low | 54.8 | Low | 165 Ų | 165 | 131.4 Ų | 131.4 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | | | trans | -79.7 | 99.1 | 178 | -159.9 | 168.2 | 11.5 | 0 | 0 | 109.3 | K205 I209 | K205-Q207 PolarHBondContact O-N 3.32Å; Q207-I209 VanDerWaalsContact C-N 3.29Å; Q207-I209 HydrophobicContact CB-CG1 4.49Å; Q207-I209 HydrophobicContact CG-CG1 4.07Å; Q207-I209 PolarHBondContact O-N 3.21Å |
| 208 | I | 58.5 | Low | 54.4 | Low | 156 Ų | 156 | 129.4 Ų | 129.4 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | | | trans | -73.4 | 84.8 | 177.8 | -55.5 | 175 | 0 | 0 | 0 | 108.7 | V206 N210 | V206-I208 HydrophobicContact CG1-CG1 4.29Å; V206-I208 PolarHBondContact O-N 3.19Å; I208-N210 PolarHBondContact O-N 2.88Å |
| 209 | I | 59.7 | Low | 54.5 | Low | 121 Ų | 121 | 125.2 Ų | 125.2 | 62% | 0.621 | 69% | 0.691 | S | S | * | * | | | trans | -80 | 99.5 | 175.3 | -51.7 | 177.4 | 0 | 0 | 0 | 107.9 | Q207 K211 | Q207-I209 VanDerWaalsContact C-N 3.29Å; Q207-I209 HydrophobicContact CB-CG1 4.49Å; Q207-I209 HydrophobicContact CG-CG1 4.07Å; Q207-I209 PolarHBondContact O-N 3.21Å; I209-K211 HydrophobicContact CG2-CB 3.89Å; I209-K211 PolarHBondContact O-N 3.4Å |
| 210 | N | 55.2 | Low | 54.3 | Low | 133 Ų | 133 | 123.9 Ų | 123.9 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | | | trans | -67.7 | 77.3 | 160.4 | -179.4 | 20.5 | 0 | 0 | 0 | 108.7 | I208 K212 | I208-N210 PolarHBondContact O-N 2.88Å; N210-K212 PolarHBondContact O-N 3.09Å |
| 211 | K | 52.4 | Low | 54.4 | Low | 166 Ų | 166 | 123.8 Ų | 123.8 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | | | trans | -77.3 | 68.1 | 177.3 | -158.6 | 172 | -174.7 | 175.1 | 0 | 109.2 | I209 L213 | I209-K211 HydrophobicContact CG2-CB 3.89Å; I209-K211 PolarHBondContact O-N 3.4Å; K211-L213 PolarHBondContact O-N 2.66Å; K211-L213 VanDerWaalsContact O-N 3.08Å |
| 212 | K | 59 | Low | 54.4 | Low | 161 Ų | 161 | 125 Ų | 125 | 70% | 0.7 | 70% | 0.703 | S | S | * | * | | | trans | -44.6 | 119.8 | 146.9 | -178.5 | 173.3 | -174.9 | -71.5 | 0 | 104.8 | N210 D214 | N210-K212 PolarHBondContact O-N 3.09Å; K212-D214 PolarHBondContact O-N 2.61Å; K212-D214 VanDerWaalsContact O-N 3.13Å |
| 213 | L | 55.5 | Low | 54.7 | Low | 124 Ų | 124 | 123.4 Ų | 123.4 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | | | trans | -47 | 128.8 | 179 | -77.9 | 166.2 | 0 | 0 | 0 | 107.3 | K211 L215 | K211-L213 PolarHBondContact O-N 2.66Å; K211-L213 VanDerWaalsContact O-N 3.08Å; L213-L215 HydrophobicContact CB-CD1 4.26Å; L213-L215 HydrophobicContact CB-CD2 3.94Å; L213-L215 HydrophobicContact CB-CG 3.75Å; L213-L215 WeakPolarHBondContact O-CG 3.28Å; L213-L215 PolarHBondContact O-N 2.91Å |
| 214 | D | 55.8 | Low | 54.9 | Low | 130 Ų | 130 | 123.4 Ų | 123.4 | 70% | 0.695 | 68% | 0.675 | S | S | * | * | | | trans | -73.9 | 80.7 | 176.6 | -172.5 | -3 | 0 | 0 | 0 | 107.3 | K212 S216 | K212-D214 PolarHBondContact O-N 2.61Å; K212-D214 VanDerWaalsContact O-N 3.13Å; D214-S216 VanDerWaalsContact CG-OG 3.29Å; D214-S216 PolarHBondContact O-N 3.11Å; D214-S216 VanDerWaalsContact O-N 3.08Å; D214-S216 VanDerWaalsContact OD1-CB 3.28Å; D214-S216 WeakPolarHBondContact OD1-CB 3.47Å; D214-S216 PolarHBondContact OD1-N 3.18Å; D214-S216 PolarHBondContact OD1-OG 3.41Å |
| 215 | L | 52.8 | Low | 55.6 | Low | 94 Ų | 94 | 129.3 Ų | 129.3 | 49% | 0.492 | 68% | 0.683 | S | S | . | * | | | trans | -80.1 | 30.7 | -177.1 | -69.4 | 171.2 | 0 | 0 | 0 | 110.6 | L213 N217 V218 | L213-L215 HydrophobicContact CB-CD1 4.26Å; L213-L215 HydrophobicContact CB-CD2 3.94Å; L213-L215 HydrophobicContact CB-CG 3.75Å; L213-L215 WeakPolarHBondContact O-CG 3.28Å; L213-L215 PolarHBondContact O-N 2.91Å; L215-N217 PolarHBondContact O-N 3.09Å; L215-N217 VanDerWaalsContact O-N 3.09Å; L215-V218 HydrophobicContact CB-CB 4.28Å; L215-V218 HydrophobicContact CB-CG2 3.58Å; L215-V218 HydrophobicContact CD1-CG2 4.32Å; L215-V218 HydrophobicContact CD2-CG2 3.52Å; L215-V218 HydrophobicContact CG-CG2 3.95Å; L215-V218 PolarHBondContact O-N 3.18Å |
| 216 | S | 58.8 | Low | 55.8 | Low | 85 Ų | 85 | 123.6 Ų | 123.6 | 59% | 0.594 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -10.7 | 174.3 | 39.4 | 0 | 0 | 0 | 0 | 113.3 | D214 | D214-S216 VanDerWaalsContact CG-OG 3.29Å; D214-S216 PolarHBondContact O-N 3.11Å; D214-S216 VanDerWaalsContact O-N 3.08Å; D214-S216 VanDerWaalsContact OD1-CB 3.28Å; D214-S216 WeakPolarHBondContact OD1-CB 3.47Å; D214-S216 PolarHBondContact OD1-N 3.18Å; D214-S216 PolarHBondContact OD1-OG 3.41Å |
| 217 | N | 56.4 | Low | 56.1 | Low | 122 Ų | 122 | 122.2 Ų | 122.2 | 65% | 0.652 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 18.7 | 169.3 | -63.4 | -34.1 | 0 | 0 | 0 | 114.1 | L215 Q219 | L215-N217 PolarHBondContact O-N 3.09Å; L215-N217 VanDerWaalsContact O-N 3.09Å; N217-Q219 PolarHBondContact O-N 3.06Å; N217-Q219 VanDerWaalsContact O-N 3.09Å |
| 218 | V | 49.9 | Very low | 56.7 | Low | 89 Ų | 89 | 118.7 Ų | 118.7 | 54% | 0.539 | 64% | 0.636 | S | S | . | * | | | trans | -75.5 | 98.1 | 166.8 | 170 | 0 | 0 | 0 | 0 | 109 | L215 S220 | L215-V218 HydrophobicContact CB-CB 4.28Å; L215-V218 HydrophobicContact CB-CG2 3.58Å; L215-V218 HydrophobicContact CD1-CG2 4.32Å; L215-V218 HydrophobicContact CD2-CG2 3.52Å; L215-V218 HydrophobicContact CG-CG2 3.95Å; L215-V218 PolarHBondContact O-N 3.18Å; V218-S220 PolarHBondContact O-N 2.83Å |
| 219 | Q | 58.8 | Low | 57 | Low | 124 Ų | 124 | 116.7 Ų | 116.7 | 58% | 0.579 | 62% | 0.621 | S | S | * | * | | | trans | -66.3 | 100.4 | 167.9 | -70.9 | -177.2 | -10.8 | 0 | 0 | 109.3 | N217 K221 V244 | N217-Q219 PolarHBondContact O-N 3.06Å; N217-Q219 VanDerWaalsContact O-N 3.09Å; Q219-K221 VanDerWaalsContact C-N 3.33Å; Q219-K221 PolarHBondContact O-N 2.95Å; Q219-V244 VanDerWaalsContact NE2-CG1 3.31Å |
| 220 | S | 53.1 | Low | 56.9 | Low | 107 Ų | 107 | 115.4 Ų | 115.4 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | | | trans | -70.1 | 83.9 | 178.2 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | V218 C222 | V218-S220 PolarHBondContact O-N 2.83Å; S220-C222 PolarHBondContact O-N 2.97Å |
| 221 | K | 58.7 | Low | 57.2 | Low | 171 Ų | 171 | 112.4 Ų | 112.4 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | | | trans | 42.8 | 45.7 | 173.4 | -70.1 | -165.2 | 173.9 | -168 | 0 | 114.3 | Q219 G223 S224 | Q219-K221 VanDerWaalsContact C-N 3.33Å; Q219-K221 PolarHBondContact O-N 2.95Å; K221-G223 PolarHBondContact O-N 3.18Å; K221-S224 PolarHBondContact O-N 2.88Å |
| 222 | C | 54.5 | Low | 57.3 | Low | 124 Ų | 124 | 108 Ų | 108 | 84% | 0.838 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 112.6 | 176.8 | -164.6 | 0 | 0 | 0 | 0 | 109 | S220 | S220-C222 PolarHBondContact O-N 2.97Š|
| 223 | G | 55.5 | Low | 57.4 | Low | 43 Ų | 43 | 101.9 Ų | 101.9 | 44% | 0.443 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 103.1 | -5.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | K221 K225 D226 | K221-G223 PolarHBondContact O-N 3.18Å; G223-K225 VanDerWaalsContact C-N 3.28Å; G223-K225 PolarHBondContact O-N 3.2Å; G223-K225 VanDerWaalsContact O-N 3.12Å; G223-D226 WeakPolarHBondContact CA-OD2 3.38Å |
| 224 | S | 52.5 | Low | 57.2 | Low | 78 Ų | 78 | 98.1 Ų | 98.1 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | 13.6 | -169.7 | 118.5 | 0 | 0 | 0 | 0 | 116.7 | K221 | K221-S224 PolarHBondContact O-N 2.88Š|
| 225 | K | 58 | Low | 57.4 | Low | 186 Ų | 186 | 95 Ų | 95 | 81% | 0.809 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143 | 21.7 | 177.4 | -74.6 | -161.7 | 173.7 | -170.2 | 0 | 114.5 | G223 N227 | G223-K225 VanDerWaalsContact C-N 3.28Å; G223-K225 PolarHBondContact O-N 3.2Å; G223-K225 VanDerWaalsContact O-N 3.12Å; K225-N227 PolarHBondContact O-N 3.08Å |
| 226 | D | 59.5 | Low | 57.4 | Low | 87 Ų | 87 | 93 Ų | 93 | 47% | 0.465 | 55% | 0.554 | S | S | . | * | | | trans | -77.9 | 91.3 | -176.6 | -61.8 | -26.2 | 0 | 0 | 0 | 111.1 | G223 I228 K242 | G223-D226 WeakPolarHBondContact CA-OD2 3.38Å; D226-I228 HydrophobicContact CB-CD1 4.25Å; D226-I228 HydrophobicContact CB-CG1 4.02Å; D226-I228 PolarHBondContact O-N 2.76Å; D226-K242 IonicContact OD2-NZ 3.54Å; D226-K242 PolarHBondContact OD2-NZ 3.06Å |
| 227 | N | 60.2 | Low | 57.4 | Low | 100 Ų | 100 | 94 Ų | 94 | 54% | 0.535 | 56% | 0.556 | S | S | . | * | | | trans | -75.4 | 67.9 | 174.7 | -170.6 | 27 | 0 | 0 | 0 | 110.6 | K225 K229 D289 | K225-N227 PolarHBondContact O-N 3.08Å; N227-K229 PolarHBondContact O-N 3.13Å; N227-K229 WeakPolarHBondContact OD1-CD 3.48Å; N227-K229 WeakPolarHBondContact OD1-CE 3.25Å; N227-D289 PolarHBondContact ND2-OD2 3.09Å |
| 228 | I | 66.2 | Low | 57.6 | Low | 91 Ų | 91 | 93.5 Ų | 93.5 | 47% | 0.467 | 55% | 0.55 | S | S | . | . | | | trans | -77.8 | 86.7 | -179.5 | -51.3 | 178.2 | 0 | 0 | 0 | 108.8 | D226 V240 | D226-I228 HydrophobicContact CB-CD1 4.25Å; D226-I228 HydrophobicContact CB-CG1 4.02Å; D226-I228 PolarHBondContact O-N 2.76Å; I228-V240 HydrophobicContact CD1-CG1 4.4Å; I228-V240 HydrophobicContact CD1-CG2 4.4Å |
| 229 | K | 64.3 | Low | 58.3 | Low | 114 Ų | 114 | 93.7 Ų | 93.7 | 50% | 0.496 | 55% | 0.547 | S | S | . | . | | | trans | -101.2 | 116.8 | 173.1 | -76.7 | 172.8 | 178 | 171.5 | 0 | 110.1 | N227 D289 | N227-K229 PolarHBondContact O-N 3.13Å; N227-K229 WeakPolarHBondContact OD1-CD 3.48Å; N227-K229 WeakPolarHBondContact OD1-CE 3.25Å; K229-D289 VanDerWaalsContact CD-OD1 3.3Å; K229-D289 WeakPolarHBondContact CD-OD1 3.22Å; K229-D289 WeakPolarHBondContact CD-OD2 3.26Å; K229-D289 WeakPolarHBondContact CE-OD1 3.2Å; K229-D289 WeakPolarHBondContact CE-OD2 3.28Å; K229-D289 IonicContact NZ-OD1 2.61Å; K229-D289 PolarHBondContact NZ-OD1 3.36Å; K229-D289 IonicContact NZ-OD2 2.65Å; K229-D289 PolarHBondContact NZ-OD2 3Å |
| 230 | H | 58.4 | Low | 58.7 | Low | 94 Ų | 94 | 91.1 Ų | 91.1 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | | | trans | -121.8 | 131.4 | 174.1 | -176.1 | -90.1 | 0 | 0 | 0 | 108.7 | P232 S236 | H230-P232 WeakPolarHBondContact ND1-CG 3.38Å; H230-S236 PolarHBondContact CE1-OG 3.05Å |
| 231 | V | 60.9 | Low | 58.9 | Low | 70 Ų | 70 | 92.6 Ų | 92.6 | 42% | 0.424 | 53% | 0.529 | S | S | . | . | | | trans | -121 | 98 | 175.9 | -174 | 0 | 0 | 0 | 0 | 108.5 | G233 I285 L288 | V231-G233 PolarHBondContact O-N 2.91Å; V231-I285 HydrophobicContact CB-CD1 3.78Å; V231-I285 HydrophobicContact CG1-CD1 3.47Å; V231-I285 VanDerWaalsContact CG1-CD1 3.47Å; V231-I285 HydrophobicContact CG1-CG1 3.89Å; V231-L288 HydrophobicContact CG2-CD1 3.72Å; V231-L288 HydrophobicContact CG2-CD2 4.42Å |
| 232 | P | 54.7 | Low | 59.3 | Low | 73 Ų | 73 | 89.9 Ų | 89.9 | 47% | 0.474 | 52% | 0.518 | S | S | . | . | | | trans | -69.5 | 125 | -176.5 | -11.5 | 23.1 | 0 | 0 | 0 | 112.6 | H230 G234 S236 | H230-P232 WeakPolarHBondContact ND1-CG 3.38Å; P232-G234 PolarHBondContact O-N 3Å; P232-S236 WeakPolarHBondContact CB-OG 3.08Å; P232-S236 WeakPolarHBondContact CG-OG 3.35Å |
| 233 | G | 60.1 | Low | 59.6 | Low | 34 Ų | 34 | 88.3 Ų | 88.3 | 35% | 0.351 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -80.4 | 38.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V231 V281 | V231-G233 PolarHBondContact O-N 2.91Å; G233-V281 WeakPolarHBondContact O-CG1 3.49Å |
| 234 | G | 51.4 | Low | 59.9 | Low | 44 Ų | 44 | 90.5 Ų | 90.5 | 45% | 0.454 | 51% | 0.51 | S | S | . | . | S | Bend | trans | 88.4 | 145.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P232 | P232-G234 PolarHBondContact O-N 3Š|
| 235 | G | 60.9 | Low | 60.4 | Low | 65 Ų | 65 | 92.7 Ų | 92.7 | 67% | 0.67 | 52% | 0.516 | S | S | * | . | | | trans | 75.7 | 29.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 236 | S | 51.9 | Low | 60.5 | Low | 53 Ų | 53 | 89.3 Ų | 89.3 | 37% | 0.371 | 51% | 0.506 | S | S | . | . | | | trans | -115 | 126.4 | -178 | 67.9 | 0 | 0 | 0 | 0 | 114.8 | H230 P232 | H230-S236 PolarHBondContact CE1-OG 3.05Å; P232-S236 WeakPolarHBondContact CB-OG 3.08Å; P232-S236 WeakPolarHBondContact CG-OG 3.35Å |
| 237 | V | 59.8 | Low | 60.6 | Low | 106 Ų | 106 | 89.7 Ų | 89.7 | 64% | 0.642 | 52% | 0.516 | S | S | * | . | | | trans | -110.1 | 115.6 | 162.9 | 173.7 | 0 | 0 | 0 | 0 | 108 | I239 V270 | V237-I239 HydrophobicContact CG1-CD1 3.89Å; V237-I239 HydrophobicContact CG1-CG1 3.85Å; V237-V270 HydrophobicContact CB-CG1 4.14Å; V237-V270 HydrophobicContact CG1-CG1 4.03Å; V237-V270 HydrophobicContact CG1-CG2 4.03Å; V237-V270 HydrophobicContact CG2-CG1 4.44Å |
| 238 | Q | 59.6 | Low | 60.5 | Low | 111 Ų | 111 | 92.5 Ų | 92.5 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | | | trans | -109.6 | 109.5 | 178.8 | -171.5 | -178.8 | 29.3 | 0 | 0 | 109.7 | V240 | Q238-V240 HydrophobicContact CG-CG2 4.07Š|
| 239 | I | 65.8 | Low | 59.9 | Low | 93 Ų | 93 | 93.7 Ų | 93.7 | 48% | 0.477 | 53% | 0.534 | S | S | . | . | | | trans | -113.6 | 108.4 | 177.3 | -53.9 | 178.2 | 0 | 0 | 0 | 109.5 | V237 Y241 V268 V270 | V237-I239 HydrophobicContact CG1-CD1 3.89Å; V237-I239 HydrophobicContact CG1-CG1 3.85Å; I239-Y241 PolarHBondContact O-N 2.86Å; I239-V268 HydrophobicContact CB-CG1 4.02Å; I239-V268 HydrophobicContact CD1-CG1 3.34Å; I239-V268 HydrophobicContact CG1-CG1 4.25Å; I239-V268 HydrophobicContact CG2-CG1 3.67Å; I239-V268 HydrophobicContact CG2-CG2 4.15Å; I239-V270 HydrophobicContact CD1-CG2 3.52Å; I239-V270 HydrophobicContact CG1-CG2 4.46Å |
| 240 | V | 66.1 | Low | 59.5 | Low | 70 Ų | 70 | 93.9 Ų | 93.9 | 42% | 0.424 | 55% | 0.546 | S | S | . | . | | | trans | -93.5 | 83.2 | -177.1 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | I228 Q238 K242 | I228-V240 HydrophobicContact CD1-CG1 4.4Å; I228-V240 HydrophobicContact CD1-CG2 4.4Å; Q238-V240 HydrophobicContact CG-CG2 4.07Å; V240-K242 HydrophobicContact CG1-CD 3.95Å; V240-K242 HydrophobicContact CG1-CG 3.99Å; V240-K242 PolarHBondContact O-N 3.23Å |
| 241 | Y | 56.8 | Low | 59.2 | Low | 137 Ų | 137 | 93.4 Ų | 93.4 | 54% | 0.537 | 55% | 0.552 | S | S | . | * | | | trans | -73.5 | 104.9 | 172.8 | -174.2 | -108.7 | 0 | 0 | 0 | 110 | I239 P243 | I239-Y241 PolarHBondContact O-N 2.86Å; Y241-P243 HydrophobicContact CD1-CB 4.5Å; Y241-P243 HydrophobicContact CD1-CG 4.19Å; Y241-P243 HydrophobicContact CE1-CB 3.78Å; Y241-P243 HydrophobicContact CE1-CG 3.83Å; Y241-P243 WeakPolarHBondContact O-CD 3.47Å |
| 242 | K | 68.4 | Low | 59 | Low | 114 Ų | 114 | 100 Ų | 100 | 50% | 0.496 | 58% | 0.575 | S | S | . | * | | | trans | -108.6 | 89.2 | 174 | -80 | 170.7 | 177.9 | 170.3 | 0 | 109.3 | D226 V240 V244 | D226-K242 IonicContact OD2-NZ 3.54Å; D226-K242 PolarHBondContact OD2-NZ 3.06Å; V240-K242 HydrophobicContact CG1-CD 3.95Å; V240-K242 HydrophobicContact CG1-CG 3.99Å; V240-K242 PolarHBondContact O-N 3.23Å; K242-V244 PolarHBondContact O-N 3.12Å |
| 243 | P | 61.5 | Low | 58.9 | Low | 91 Ų | 91 | 100.1 Ų | 100.1 | 59% | 0.591 | 58% | 0.577 | S | S | * | * | | | trans | -67 | 123.4 | 176.1 | 27.5 | -31.9 | 0 | 0 | 0 | 109.4 | Y241 D245 | Y241-P243 HydrophobicContact CD1-CB 4.5Å; Y241-P243 HydrophobicContact CD1-CG 4.19Å; Y241-P243 HydrophobicContact CE1-CB 3.78Å; Y241-P243 HydrophobicContact CE1-CG 3.83Å; Y241-P243 WeakPolarHBondContact O-CD 3.47Å; P243-D245 PolarHBondContact O-N 2.88Å |
| 244 | V | 61.6 | Low | 58.5 | Low | 89 Ų | 89 | 102.8 Ų | 102.8 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | | | trans | -80.8 | 114 | 166.9 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | Q219 K242 L246 | Q219-V244 VanDerWaalsContact NE2-CG1 3.31Å; K242-V244 PolarHBondContact O-N 3.12Å; V244-L246 HydrophobicContact CG1-CD2 4.3Å; V244-L246 HydrophobicContact CG1-CG 4.27Å; V244-L246 PolarHBondContact O-N 2.99Å; V244-L246 VanDerWaalsContact O-N 3.14Å |
| 245 | D | 63.1 | Low | 58.1 | Low | 124 Ų | 124 | 104.9 Ų | 104.9 | 66% | 0.663 | 61% | 0.613 | S | S | * | * | | | trans | -70.9 | 110 | -179.2 | -169.5 | -5.6 | 0 | 0 | 0 | 110.5 | P243 S247 | P243-D245 PolarHBondContact O-N 2.88Å; D245-S247 WeakPolarHBondContact OD1-CB 3.22Å; D245-S247 PolarHBondContact OD1-N 3Å; D245-S247 PolarHBondContact OD1-OG 2.98Å; D245-S247 PolarHBondContact OD2-OG 3.16Å |
| 246 | L | 60 | Low | 57.9 | Low | 115 Ų | 115 | 110.8 Ų | 110.8 | 60% | 0.602 | 63% | 0.628 | S | S | * | * | | | trans | -110.1 | 22 | -178.8 | -67.9 | 170.4 | 0 | 0 | 0 | 111.9 | V244 K248 V249 | V244-L246 HydrophobicContact CG1-CD2 4.3Å; V244-L246 HydrophobicContact CG1-CG 4.27Å; V244-L246 PolarHBondContact O-N 2.99Å; V244-L246 VanDerWaalsContact O-N 3.14Å; L246-K248 PolarHBondContact O-N 3.49Å; L246-V249 HydrophobicContact CB-CG2 4.28Å; L246-V249 WeakPolarHBondContact O-CG2 3.49Å; L246-V249 PolarHBondContact O-N 3.27Å; L246-V249 VanDerWaalsContact O-N 3.09Å |
| 247 | S | 61.6 | Low | 58.3 | Low | 95 Ų | 95 | 110.5 Ų | 110.5 | 66% | 0.664 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 0 | -178.3 | 51.8 | 0 | 0 | 0 | 0 | 116.6 | D245 | D245-S247 WeakPolarHBondContact OD1-CB 3.22Å; D245-S247 PolarHBondContact OD1-N 3Å; D245-S247 PolarHBondContact OD1-OG 2.98Å; D245-S247 PolarHBondContact OD2-OG 3.16Å |
| 248 | K | 56.8 | Low | 58.3 | Low | 160 Ų | 160 | 113.1 Ų | 113.1 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 17.5 | 174.7 | -67.3 | -177.7 | -177.6 | 172.7 | 0 | 114.8 | L246 T250 | L246-K248 PolarHBondContact O-N 3.49Å; K248-T250 VanDerWaalsContact C-N 3.3Å; K248-T250 PolarHBondContact O-N 2.79Å |
| 249 | V | 54.9 | Low | 58.4 | Low | 115 Ų | 115 | 112.8 Ų | 112.8 | 70% | 0.697 | 64% | 0.644 | S | S | * | * | | | trans | -73.1 | 87.2 | 164.9 | -179.4 | 0 | 0 | 0 | 0 | 109 | L246 S251 | L246-V249 HydrophobicContact CB-CG2 4.28Å; L246-V249 WeakPolarHBondContact O-CG2 3.49Å; L246-V249 PolarHBondContact O-N 3.27Å; L246-V249 VanDerWaalsContact O-N 3.09Å; V249-S251 PolarHBondContact O-N 3.08Å |
| 250 | T | 55.3 | Low | 58.2 | Low | 119 Ų | 119 | 116.2 Ų | 116.2 | 73% | 0.73 | 66% | 0.658 | S | S | * | * | | | trans | -82.5 | 108.5 | 166.8 | 51.5 | 0 | 0 | 0 | 0 | 108.8 | K248 K252 | K248-T250 VanDerWaalsContact C-N 3.3Å; K248-T250 PolarHBondContact O-N 2.79Å; T250-K252 PolarHBondContact O-N 3.19Å |
| 251 | S | 51.9 | Low | 58 | Low | 83 Ų | 83 | 119.9 Ų | 119.9 | 58% | 0.58 | 67% | 0.67 | S | S | * | * | | | trans | -65.2 | 120 | 169.9 | 50.3 | 0 | 0 | 0 | 0 | 108.6 | V249 C253 | V249-S251 PolarHBondContact O-N 3.08Å; S251-C253 PolarHBondContact O-N 2.84Å |
| 252 | K | 56.2 | Low | 58.5 | Low | 208 Ų | 208 | 121.8 Ų | 121.8 | 90% | 0.904 | 68% | 0.681 | S | S | * | * | | | trans | -77.5 | 48.1 | 167.3 | -68.6 | -164.7 | 176.6 | -172 | 0 | 110.9 | T250 G254 | T250-K252 PolarHBondContact O-N 3.19Å; K252-G254 PolarHBondContact O-N 2.82Å |
| 253 | C | 53.4 | Low | 58.2 | Low | 76 Ų | 76 | 121.1 Ų | 121.1 | 51% | 0.514 | 69% | 0.688 | S | S | . | * | | | trans | -82.4 | 90.1 | 172.8 | -168.3 | 0 | 0 | 0 | 0 | 108.1 | S251 S255 I259 | S251-C253 PolarHBondContact O-N 2.84Å; C253-S255 PolarHBondContact O-N 2.69Å; C253-I259 HydrophobicContact CB-CD1 3.87Å |
| 254 | G | 51.8 | Low | 58 | Low | 90 Ų | 90 | 120.7 Ų | 120.7 | 93% | 0.928 | 70% | 0.7 | S | S | * | * | | | trans | -77.6 | 55.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K252 | K252-G254 PolarHBondContact O-N 2.82Š|
| 255 | S | 42.1 | Very low | 58.7 | Low | 89 Ų | 89 | 119.1 Ų | 119.1 | 62% | 0.622 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -137.7 | 140.5 | 172.6 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | C253 G257 | C253-S255 PolarHBondContact O-N 2.69Å; S255-G257 PolarHBondContact O-N 2.65Å |
| 256 | L | 58.1 | Low | 58.7 | Low | 188 Ų | 188 | 115.6 Ų | 115.6 | 98% | 0.984 | 70% | 0.695 | S | S | * | * | | | trans | -76.5 | 44.8 | -172.2 | -66.9 | 167.4 | 0 | 0 | 0 | 113 | | |
| 257 | G | 59.5 | Low | 58.8 | Low | 47 Ų | 47 | 118.4 Ų | 118.4 | 49% | 0.485 | 71% | 0.705 | S | S | . | * | | | trans | -90.3 | 140.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S255 I259 | S255-G257 PolarHBondContact O-N 2.65Å; G257-I259 VanDerWaalsContact C-N 3.3Å; G257-I259 PolarHBondContact O-N 2.96Å |
| 258 | N | 60.3 | Low | 58.6 | Low | 162 Ų | 162 | 117.5 Ų | 117.5 | 87% | 0.866 | 70% | 0.696 | S | S | * | * | | | trans | -69.8 | 83.2 | 171.1 | -72.6 | -38.3 | 0 | 0 | 0 | 110.4 | H260 | N258-H260 PolarHBondContact O-N 2.78Š|
| 259 | I | 61.8 | Low | 59.2 | Low | 103 Ų | 103 | 116 Ų | 116 | 53% | 0.528 | 69% | 0.691 | S | S | . | * | | | trans | -72.6 | 90.5 | 179.9 | -52.1 | -178.6 | 0 | 0 | 0 | 109.9 | C253 G257 H261 | C253-I259 HydrophobicContact CB-CD1 3.87Å; G257-I259 VanDerWaalsContact C-N 3.3Å; G257-I259 PolarHBondContact O-N 2.96Å; I259-H261 HydrophobicContact CG2-CB 4.29Å; I259-H261 PolarHBondContact O-N 2.92Å |
| 260 | H | 61.8 | Low | 59.7 | Low | 165 Ų | 165 | 114.1 Ų | 114.1 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | | | trans | -72.3 | 70.6 | 168.2 | -99.8 | -65.7 | 0 | 0 | 0 | 111.3 | N258 K262 | N258-H260 PolarHBondContact O-N 2.78Å; H260-K262 PolarHBondContact O-N 2.61Å |
| 261 | H | 62.5 | Low | 59.9 | Low | 147 Ų | 147 | 116.6 Ų | 116.6 | 68% | 0.681 | 68% | 0.68 | S | S | * | * | | | trans | -73.2 | 93.1 | 170.8 | -177.2 | -105.3 | 0 | 0 | 0 | 110.2 | I259 P263 | I259-H261 HydrophobicContact CG2-CB 4.29Å; I259-H261 PolarHBondContact O-N 2.92Å; H261-P263 VanDerWaalsContact O-CD 3.27Å; H261-P263 WeakPolarHBondContact O-CD 3.3Å |
| 262 | K | 67.2 | Low | 60.3 | Low | 178 Ų | 178 | 117.8 Ų | 117.8 | 77% | 0.774 | 69% | 0.689 | S | S | * | * | | | trans | -94.3 | 99 | 164.2 | -68.8 | -170.6 | 178.7 | -175 | 0 | 108.3 | H260 G264 | H260-K262 PolarHBondContact O-N 2.61Å; K262-G264 PolarHBondContact O-N 2.96Å; K262-G264 VanDerWaalsContact O-N 3.08Å |
| 263 | P | 60.4 | Low | 60.7 | Low | 99 Ų | 99 | 116.4 Ų | 116.4 | 64% | 0.643 | 69% | 0.686 | S | S | * | * | | | trans | -65.9 | 112.1 | 174.1 | 26.6 | -31.4 | 0 | 0 | 0 | 108.6 | H261 G265 | H261-P263 VanDerWaalsContact O-CD 3.27Å; H261-P263 WeakPolarHBondContact O-CD 3.3Å; P263-G265 PolarHBondContact O-N 2.94Å; P263-G265 VanDerWaalsContact O-N 3.08Å |
| 264 | G | 59.2 | Low | 61.4 | Low | 82 Ų | 82 | 121.5 Ų | 121.5 | 85% | 0.845 | 70% | 0.699 | S | S | * | * | | | trans | -64 | 108.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | K262 | K262-G264 PolarHBondContact O-N 2.96Å; K262-G264 VanDerWaalsContact O-N 3.08Å |
| 265 | G | 74.6 | Confident | 62.1 | Low | 57 Ų | 57 | 123.4 Ų | 123.4 | 59% | 0.588 | 69% | 0.688 | S | S | * | * | | | trans | -69.4 | 148.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | P263 Q267 | P263-G265 PolarHBondContact O-N 2.94Å; P263-G265 VanDerWaalsContact O-N 3.08Å; G265-Q267 PolarHBondContact O-N 3.38Å; G265-Q267 VanDerWaalsContact O-N 3.15Å |
| 266 | G | 63.1 | Low | 63.1 | Low | 49 Ų | 49 | 124 Ų | 124 | 51% | 0.505 | 68% | 0.684 | S | S | . | * | | | trans | -68.5 | 109.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | V268 | G266-V268 PolarHBondContact O-N 2.71Š|
| 267 | Q | 62 | Low | 63.5 | Low | 174 Ų | 174 | 121 Ų | 121 | 81% | 0.813 | 66% | 0.663 | S | S | * | * | | | trans | -79.3 | 111.4 | 174.5 | -174.5 | 167.5 | -10.5 | 0 | 0 | 109.8 | G265 | G265-Q267 PolarHBondContact O-N 3.38Å; G265-Q267 VanDerWaalsContact O-N 3.15Å |
| 268 | V | 58.8 | Low | 63.9 | Low | 77 Ų | 77 | 127.6 Ų | 127.6 | 47% | 0.467 | 68% | 0.678 | S | S | . | * | | | trans | -107.6 | 106.8 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 108.6 | I239 G266 V270 | I239-V268 HydrophobicContact CB-CG1 4.02Å; I239-V268 HydrophobicContact CD1-CG1 3.34Å; I239-V268 HydrophobicContact CG1-CG1 4.25Å; I239-V268 HydrophobicContact CG2-CG1 3.67Å; I239-V268 HydrophobicContact CG2-CG2 4.15Å; G266-V268 PolarHBondContact O-N 2.71Å; V268-V270 HydrophobicContact CG1-CG2 4.42Å |
| 269 | E | 67.7 | Low | 64.4 | Low | 127 Ų | 127 | 126.4 Ų | 126.4 | 59% | 0.593 | 67% | 0.672 | S | S | * | * | | | trans | -112.7 | 112.5 | 178 | -165 | -176.4 | 156.1 | 0 | 0 | 110.1 | K271 | E269-K271 VanDerWaalsContact CD-CE 3.5Å; E269-K271 HydrophobicContact CG-CG 4.48Å; E269-K271 WeakPolarHBondContact OE1-CE 3.08Å; E269-K271 IonicContact OE1-NZ 2.66Å |
| 270 | V | 65.6 | Low | 64.5 | Low | 77 Ų | 77 | 131.8 Ų | 131.8 | 47% | 0.467 | 69% | 0.686 | S | S | . | * | | | trans | -97.1 | 102.9 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 109 | V237 I239 V268 S272 | V237-V270 HydrophobicContact CB-CG1 4.14Å; V237-V270 HydrophobicContact CG1-CG1 4.03Å; V237-V270 HydrophobicContact CG1-CG2 4.03Å; V237-V270 HydrophobicContact CG2-CG1 4.44Å; I239-V270 HydrophobicContact CD1-CG2 3.52Å; I239-V270 HydrophobicContact CG1-CG2 4.46Å; V268-V270 HydrophobicContact CG1-CG2 4.42Å; V270-S272 PolarHBondContact O-N 3.36Å |
| 271 | K | 59.6 | Low | 64.5 | Low | 170 Ų | 170 | 128 Ų | 128 | 74% | 0.739 | 67% | 0.674 | S | S | * | * | | | trans | -83.9 | 101 | 173.9 | -66.7 | -179.8 | -178.8 | 176.1 | 0 | 109.6 | E269 | E269-K271 VanDerWaalsContact CD-CE 3.5Å; E269-K271 HydrophobicContact CG-CG 4.48Å; E269-K271 WeakPolarHBondContact OE1-CE 3.08Å; E269-K271 IonicContact OE1-NZ 2.66Å |
| 272 | S | 61.3 | Low | 64.3 | Low | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | | | trans | -92.2 | 93.6 | 172.9 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | V270 | V270-S272 PolarHBondContact O-N 3.36Š|
| 273 | E | 64.3 | Low | 63.9 | Low | 179 Ų | 179 | 122.4 Ų | 122.4 | 84% | 0.836 | 66% | 0.658 | S | S | * | * | | | trans | -67 | 149.4 | 163.1 | -168 | 170.8 | 173.1 | 0 | 0 | 109.8 | L275 | E273-L275 PolarHBondContact O-N 2.91Š|
| 274 | K | 68.9 | Low | 64 | Low | 183 Ų | 183 | 126.8 Ų | 126.8 | 80% | 0.796 | 67% | 0.667 | S | S | * | * | | | trans | -66.8 | 100.8 | -171.5 | -90.5 | -165.8 | 169.1 | -162.4 | 0 | 112.5 | | |
| 275 | L | 65.7 | Low | 63.8 | Low | 130 Ų | 130 | 126.7 Ų | 126.7 | 68% | 0.681 | 65% | 0.647 | S | S | * | * | | | trans | -92.6 | 93.7 | 167.7 | -64.3 | 174.9 | 0 | 0 | 0 | 109.9 | E273 F277 | E273-L275 PolarHBondContact O-N 2.91Å; L275-F277 HydrophobicContact CB-CD2 4.43Å; L275-F277 HydrophobicContact CB-CE2 3.7Å; L275-F277 HydrophobicContact CB-CZ 3.92Å; L275-F277 HydrophobicContact CD1-CZ 4.27Å; L275-F277 VanDerWaalsContact O-CD2 3.26Å; L275-F277 WeakPolarHBondContact O-CD2 3.34Å; L275-F277 PolarHBondContact O-N 3.08Å; L275-F277 VanDerWaalsContact O-N 3.1Å |
| 276 | D | 62.1 | Low | 63.5 | Low | 102 Ų | 102 | 126.8 Ų | 126.8 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | | | trans | -77.3 | 88.9 | 178.8 | -78.3 | -4.8 | 0 | 0 | 0 | 111.5 | K278 | D276-K278 HydrophobicContact CB-CG 4.35Å; D276-K278 PolarHBondContact O-N 3.29Å; D276-K278 IonicContact OD2-NZ 2.69Å |
| 277 | F | 66.3 | Low | 62.9 | Low | 123 Ų | 123 | 128.7 Ų | 128.7 | 54% | 0.539 | 65% | 0.653 | S | S | . | * | | | trans | -72.6 | 86.2 | 171.4 | -58.4 | -78.5 | 0 | 0 | 0 | 110.9 | L275 D279 | L275-F277 HydrophobicContact CB-CD2 4.43Å; L275-F277 HydrophobicContact CB-CE2 3.7Å; L275-F277 HydrophobicContact CB-CZ 3.92Å; L275-F277 HydrophobicContact CD1-CZ 4.27Å; L275-F277 VanDerWaalsContact O-CD2 3.26Å; L275-F277 WeakPolarHBondContact O-CD2 3.34Å; L275-F277 PolarHBondContact O-N 3.08Å; L275-F277 VanDerWaalsContact O-N 3.1Å; F277-D279 VanDerWaalsContact C-N 3.32Å; F277-D279 PolarHBondContact O-N 3.14Å |
| 278 | K | 68.4 | Low | 63.1 | Low | 186 Ų | 186 | 125.3 Ų | 125.3 | 81% | 0.809 | 64% | 0.64 | S | S | * | * | | | trans | -79.1 | -7.2 | -176.2 | -72.5 | 172.7 | -178.3 | 163.4 | 0 | 115.1 | D276 | D276-K278 HydrophobicContact CB-CG 4.35Å; D276-K278 PolarHBondContact O-N 3.29Å; D276-K278 IonicContact OD2-NZ 2.69Å |
| 279 | D | 72.1 | Confident | 63.5 | Low | 138 Ų | 138 | 124.7 Ų | 124.7 | 74% | 0.738 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -109.5 | 157.4 | -177.3 | -143.9 | -25.1 | 0 | 0 | 0 | 112.3 | F277 V281 | F277-D279 VanDerWaalsContact C-N 3.32Å; F277-D279 PolarHBondContact O-N 3.14Å; D279-V281 PolarHBondContact O-N 2.95Å |
| 280 | R | 63.9 | Low | 63.1 | Low | 215 Ų | 215 | 125 Ų | 125 | 81% | 0.811 | 64% | 0.64 | S | S | * | * | | | trans | -73.3 | 84.7 | -170.3 | -69.2 | -176.8 | 177.1 | -176.5 | 0.5 | 112.4 | Q282 | R280-Q282 PolarHBondContact O-N 3.49Š|
| 281 | V | 60.8 | Low | 63.1 | Low | 86 Ų | 86 | 126.7 Ų | 126.7 | 52% | 0.521 | 65% | 0.645 | S | S | . | * | | | trans | -70.5 | 92.6 | 174.6 | -160.7 | 0 | 0 | 0 | 0 | 110.7 | G233 D279 | G233-V281 WeakPolarHBondContact O-CG1 3.49Å; D279-V281 PolarHBondContact O-N 2.95Å |
| 282 | Q | 57.3 | Low | 63.4 | Low | 139 Ų | 139 | 124.7 Ų | 124.7 | 65% | 0.65 | 65% | 0.647 | S | S | * | * | | | trans | -100.4 | 102.9 | 176.9 | -69.9 | -170.1 | -12.9 | 0 | 0 | 111.4 | R280 K284 | R280-Q282 PolarHBondContact O-N 3.49Å; Q282-K284 PolarHBondContact O-N 3.41Å; Q282-K284 VanDerWaalsContact O-N 3.16Å |
| 283 | S | 59 | Low | 63.6 | Low | 68 Ų | 68 | 126 Ų | 126 | 48% | 0.476 | 64% | 0.641 | S | S | . | * | | | trans | -76.9 | 96.2 | 173 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | I285 | S283-I285 VanDerWaalsContact C-N 3.29Å; S283-I285 PolarHBondContact O-N 3.24Å |
| 284 | K | 62.3 | Low | 63.9 | Low | 192 Ų | 192 | 123.3 Ų | 123.3 | 84% | 0.835 | 64% | 0.637 | S | S | * | * | | | trans | -78.2 | 76.2 | 173.3 | -68.8 | -178 | -179.2 | 175.8 | 0 | 111 | Q282 | Q282-K284 PolarHBondContact O-N 3.41Å; Q282-K284 VanDerWaalsContact O-N 3.16Å |
| 285 | I | 55.9 | Low | 64 | Low | 80 Ų | 80 | 119 Ų | 119 | 41% | 0.41 | 63% | 0.627 | S | S | . | * | | | trans | -87.6 | 115.5 | -177.1 | -62.6 | 163.9 | 0 | 0 | 0 | 109.8 | V231 S283 L288 | V231-I285 HydrophobicContact CB-CD1 3.78Å; V231-I285 HydrophobicContact CG1-CD1 3.47Å; V231-I285 VanDerWaalsContact CG1-CD1 3.47Å; V231-I285 HydrophobicContact CG1-CG1 3.89Å; S283-I285 VanDerWaalsContact C-N 3.29Å; S283-I285 PolarHBondContact O-N 3.24Å; I285-L288 HydrophobicContact CG2-CD1 3.69Å; I285-L288 HydrophobicContact CG2-CD2 3.98Å; I285-L288 HydrophobicContact CG2-CG 3.6Å |
| 286 | G | 68.1 | Low | 64.4 | Low | 58 Ų | 58 | 115.8 Ų | 115.8 | 60% | 0.598 | 63% | 0.625 | S | S | * | * | | | trans | -74.6 | 166.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L288 | G286-L288 PolarHBondContact O-N 3.32Š|
| 287 | S | 50.6 | Low | 65.3 | Low | 90 Ų | 90 | 114.9 Ų | 114.9 | 63% | 0.629 | 64% | 0.64 | S | S | * | * | | | trans | -40.3 | 103.9 | -174.4 | -177.2 | 0 | 0 | 0 | 0 | 114 | N290 | S287-N290 PolarHBondContact OG-ND2 3.02Å; S287-N290 PolarHBondContact OG-OD1 3.2Å |
| 288 | L | 66.6 | Low | 65.5 | Low | 102 Ų | 102 | 112.3 Ų | 112.3 | 53% | 0.534 | 65% | 0.648 | S | S | . | * | | | trans | -80.1 | 132.6 | 169 | -61.1 | 176.7 | 0 | 0 | 0 | 108.7 | V231 I285 G286 | V231-L288 HydrophobicContact CG2-CD1 3.72Å; V231-L288 HydrophobicContact CG2-CD2 4.42Å; I285-L288 HydrophobicContact CG2-CD1 3.69Å; I285-L288 HydrophobicContact CG2-CD2 3.98Å; I285-L288 HydrophobicContact CG2-CG 3.6Å; G286-L288 PolarHBondContact O-N 3.32Å |
| 289 | D | 65.9 | Low | 65.6 | Low | 65 Ų | 65 | 110.9 Ų | 110.9 | 35% | 0.348 | 65% | 0.65 | S | S | . | * | | | trans | 66.3 | 58.8 | 165.1 | -71.1 | 27.2 | 0 | 0 | 0 | 118.3 | N227 K229 I291 | N227-D289 PolarHBondContact ND2-OD2 3.09Å; K229-D289 VanDerWaalsContact CD-OD1 3.3Å; K229-D289 WeakPolarHBondContact CD-OD1 3.22Å; K229-D289 WeakPolarHBondContact CD-OD2 3.26Å; K229-D289 WeakPolarHBondContact CE-OD1 3.2Å; K229-D289 WeakPolarHBondContact CE-OD2 3.28Å; K229-D289 IonicContact NZ-OD1 2.61Å; K229-D289 PolarHBondContact NZ-OD1 3.36Å; K229-D289 IonicContact NZ-OD2 2.65Å; K229-D289 PolarHBondContact NZ-OD2 3Å; D289-I291 HydrophobicContact CB-CD1 4.42Å; D289-I291 HydrophobicContact CB-CG1 4.35Å; D289-I291 PolarHBondContact O-N 3.31Å |
| 290 | N | 61.3 | Low | 65.7 | Low | 133 Ų | 133 | 113.1 Ų | 113.1 | 71% | 0.711 | 65% | 0.653 | S | S | * | * | | | trans | -76 | 62.8 | 158.3 | -64.6 | -41.5 | 0 | 0 | 0 | 111.6 | S287 T292 | S287-N290 PolarHBondContact OG-ND2 3.02Å; S287-N290 PolarHBondContact OG-OD1 3.2Å; N290-T292 PolarHBondContact O-N 3.28Å |
| 291 | I | 64.1 | Low | 66.3 | Low | 113 Ų | 113 | 111.2 Ų | 111.2 | 58% | 0.579 | 65% | 0.65 | S | S | * | * | | | trans | -92.6 | 87.6 | 179.4 | -53.9 | 178.9 | 0 | 0 | 0 | 110.1 | D289 H293 | D289-I291 HydrophobicContact CB-CD1 4.42Å; D289-I291 HydrophobicContact CB-CG1 4.35Å; D289-I291 PolarHBondContact O-N 3.31Å; I291-H293 VanDerWaalsContact C-N 3.3Å; I291-H293 HydrophobicContact CG2-CB 4.46Å; I291-H293 PolarHBondContact O-N 3.24Å |
| 292 | T | 65.9 | Low | 67.1 | Low | 127 Ų | 127 | 113.4 Ų | 113.4 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | | | trans | -77.5 | 76.9 | 174.1 | -47.2 | 0 | 0 | 0 | 0 | 110.9 | N290 V294 | N290-T292 PolarHBondContact O-N 3.28Å; T292-V294 HydrophobicContact CG2-CG2 4.19Å; T292-V294 PolarHBondContact O-N 3.27Å |
| 293 | H | 65.7 | Low | 67.8 | Low | 138 Ų | 138 | 112.6 Ų | 112.6 | 64% | 0.639 | 65% | 0.654 | S | S | * | * | | | trans | -81 | 97.3 | 175.9 | 175 | -81.4 | 0 | 0 | 0 | 111.2 | I291 P295 | I291-H293 VanDerWaalsContact C-N 3.3Å; I291-H293 HydrophobicContact CG2-CB 4.46Å; I291-H293 PolarHBondContact O-N 3.24Å; H293-P295 WeakPolarHBondContact O-CD 3.07Å |
| 294 | V | 70.6 | Confident | 68.5 | Low | 122 Ų | 122 | 114.7 Ų | 114.7 | 74% | 0.739 | 66% | 0.664 | S | S | * | * | | | trans | -95.8 | 106 | 168.8 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | T292 G296 | T292-V294 HydrophobicContact CG2-CG2 4.19Å; T292-V294 PolarHBondContact O-N 3.27Å; V294-G296 PolarHBondContact O-N 3.44Å |
| 295 | P | 70.6 | Confident | 69 | Low | 93 Ų | 93 | 113.6 Ų | 113.6 | 60% | 0.604 | 66% | 0.661 | S | S | * | * | | | trans | -69.6 | 119.7 | 174.6 | 27.1 | -30.3 | 0 | 0 | 0 | 109.8 | H293 G297 | H293-P295 WeakPolarHBondContact O-CD 3.07Å; P295-G297 PolarHBondContact O-N 3.12Å; P295-G297 VanDerWaalsContact O-N 3.12Å |
| 296 | G | 75.2 | Confident | 70 | Confident | 61 Ų | 61 | 118 Ų | 118 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | | | trans | -57.8 | 115.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V294 | V294-G296 PolarHBondContact O-N 3.44Š|
| 297 | G | 80.5 | Confident | 70.1 | Confident | 84 Ų | 84 | 121 Ų | 121 | 87% | 0.866 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -66.4 | 145.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P295 | P295-G297 PolarHBondContact O-N 3.12Å; P295-G297 VanDerWaalsContact O-N 3.12Å |
| 298 | G | 70 | Confident | 71 | Confident | 69 Ų | 69 | 121.6 Ų | 121.6 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | | | trans | 144.1 | -16.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K300 | G298-K300 PolarHBondContact O-N 3.27Š|
| 299 | N | 71.9 | Confident | 70.8 | Confident | 156 Ų | 156 | 124.9 Ų | 124.9 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | | | trans | -69.4 | 84.3 | -177.5 | -66.7 | -59 | 0 | 0 | 0 | 113.4 | K301 | N299-K301 PolarHBondContact O-N 3.23Š|
| 300 | K | 72.4 | Confident | 70.8 | Confident | 184 Ų | 184 | 132.6 Ų | 132.6 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | | | trans | -82.6 | 91.7 | 167.1 | -69.5 | -176.3 | -179.2 | 178.2 | 0 | 110.3 | G298 I302 | G298-K300 PolarHBondContact O-N 3.27Å; K300-I302 HydrophobicContact CB-CG1 4.42Å; K300-I302 PolarHBondContact O-N 2.99Å |
| 301 | K | 77.6 | Confident | 70.9 | Confident | 175 Ų | 175 | 135.2 Ų | 135.2 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | | | trans | -81.8 | 91.3 | 172.7 | -160.3 | -168.9 | -169.3 | -157.1 | 0 | 110.3 | N299 E303 | N299-K301 PolarHBondContact O-N 3.23Å; K301-E303 WeakPolarHBondContact CE-OE1 3.37Å; K301-E303 HydrophobicContact CG-CG 4.45Å; K301-E303 IonicContact NZ-OE1 2.71Å; K301-E303 PolarHBondContact NZ-OE1 2.88Å |
| 302 | I | 77.6 | Confident | 70.4 | Confident | 133 Ų | 133 | 137.8 Ų | 137.8 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | | | trans | -94.4 | 103.2 | 178.3 | -54.6 | 177.9 | 0 | 0 | 0 | 109.3 | K300 T304 | K300-I302 HydrophobicContact CB-CG1 4.42Å; K300-I302 PolarHBondContact O-N 2.99Å; I302-T304 PolarHBondContact O-N 3.01Å |
| 303 | E | 72.9 | Confident | 69.9 | Low | 122 Ų | 122 | 135.2 Ų | 135.2 | 57% | 0.57 | 73% | 0.729 | S | S | * | * | | | trans | -89.4 | 88.9 | 177.2 | -68.5 | -179.6 | 179 | 0 | 0 | 110.9 | K301 H305 | K301-E303 WeakPolarHBondContact CE-OE1 3.37Å; K301-E303 HydrophobicContact CG-CG 4.45Å; K301-E303 IonicContact NZ-OE1 2.71Å; K301-E303 PolarHBondContact NZ-OE1 2.88Å; E303-H305 PolarHBondContact O-N 2.86Å |
| 304 | T | 71.8 | Confident | 69.5 | Low | 112 Ų | 112 | 138.1 Ų | 138.1 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | | | trans | -86.4 | 96.1 | -177.6 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | I302 K306 | I302-T304 PolarHBondContact O-N 3.01Å; T304-K306 HydrophobicContact CG2-CB 4.36Å; T304-K306 PolarHBondContact O-N 3.45Å |
| 305 | H | 73.4 | Confident | 68.8 | Low | 168 Ų | 168 | 136.3 Ų | 136.3 | 78% | 0.778 | 74% | 0.737 | S | S | * | * | | | trans | -87.4 | 79.4 | 170.8 | -70.3 | -80.7 | 0 | 0 | 0 | 111.8 | E303 L307 | E303-H305 PolarHBondContact O-N 2.86Å; H305-L307 PolarHBondContact O-N 3.42Å |
| 306 | K | 76.4 | Confident | 68.2 | Low | 173 Ų | 173 | 141.9 Ų | 141.9 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | -84 | 105.1 | 176.4 | -171.2 | -178.9 | -178.9 | -178.5 | 0 | 110.9 | T304 T308 | T304-K306 HydrophobicContact CG2-CB 4.36Å; T304-K306 PolarHBondContact O-N 3.45Å; K306-T308 HydrophobicContact CD-CG2 4.42Å; K306-T308 HydrophobicContact CG-CG2 4.28Å |
| 307 | L | 70.6 | Confident | 67.4 | Low | 121 Ų | 121 | 144.2 Ų | 144.2 | 63% | 0.634 | 75% | 0.754 | S | S | * | * | | | trans | -85.3 | 111 | 174.4 | -65.7 | 170.2 | 0 | 0 | 0 | 110.9 | H305 F309 | H305-L307 PolarHBondContact O-N 3.42Å; L307-F309 HydrophobicContact CB-CD2 4.17Å; L307-F309 HydrophobicContact CB-CE2 3.55Å; L307-F309 HydrophobicContact CB-CZ 4.05Å; L307-F309 HydrophobicContact CD1-CE2 4.1Å; L307-F309 HydrophobicContact CD1-CZ 4.08Å; L307-F309 HydrophobicContact CG-CE2 4.4Å |
| 308 | T | 69.7 | Low | 66.1 | Low | 103 Ų | 103 | 147.1 Ų | 147.1 | 63% | 0.632 | 75% | 0.75 | S | S | * | * | | | trans | -99.7 | 84.3 | 179.1 | 45.4 | 0 | 0 | 0 | 0 | 112.1 | K306 R310 | K306-T308 HydrophobicContact CD-CG2 4.42Å; K306-T308 HydrophobicContact CG-CG2 4.28Å; T308-R310 VanDerWaalsContact C-N 3.31Å; T308-R310 PolarHBondContact O-N 2.82Å |
| 309 | F | 63.3 | Low | 65.1 | Low | 170 Ų | 170 | 151.6 Ų | 151.6 | 75% | 0.746 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 76.1 | 173.6 | -58.7 | -81.7 | 0 | 0 | 0 | 111.7 | L307 | L307-F309 HydrophobicContact CB-CD2 4.17Å; L307-F309 HydrophobicContact CB-CE2 3.55Å; L307-F309 HydrophobicContact CB-CZ 4.05Å; L307-F309 HydrophobicContact CD1-CE2 4.1Å; L307-F309 HydrophobicContact CD1-CZ 4.08Å; L307-F309 HydrophobicContact CG-CE2 4.4Å |
| 310 | R | 66.1 | Low | 64.3 | Low | 228 Ų | 228 | 148 Ų | 148 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | -15.8 | 175 | -74.4 | -166.5 | 174.3 | -178.8 | -2.1 | 117 | T308 | T308-R310 VanDerWaalsContact C-N 3.31Å; T308-R310 PolarHBondContact O-N 2.82Å |
| 311 | E | 62 | Low | 63.3 | Low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -85.7 | -33.9 | -179.6 | -72.5 | 178.4 | 129.9 | 0 | 0 | 114.3 | | |
| 312 | N | 53.8 | Low | 61.9 | Low | 167 Ų | 167 | 143.2 Ų | 143.2 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -96.1 | -1.1 | -177.5 | -69.8 | -42 | 0 | 0 | 0 | 114.5 | K314 | N312-K314 PolarHBondContact O-N 3.06Å; N312-K314 VanDerWaalsContact O-N 3.14Å |
| 313 | A | 55.7 | Low | 61 | Low | 74 Ų | 74 | 144 Ų | 144 | 61% | 0.612 | 75% | 0.753 | S | S | * | * | | | trans | -85.8 | 75.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A315 | A313-A315 PolarHBondContact O-N 3.1Š|
| 314 | K | 56.9 | Low | 59.9 | Low | 199 Ų | 199 | 142.7 Ų | 142.7 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | | | trans | -59.9 | 110.5 | 164.3 | -90.5 | -168.2 | 175.2 | -174.4 | 0 | 108.3 | N312 K316 | N312-K314 PolarHBondContact O-N 3.06Å; N312-K314 VanDerWaalsContact O-N 3.14Å; K314-K316 PolarHBondContact O-N 2.86Å; K314-K316 VanDerWaalsContact O-N 3.08Å |
| 315 | A | 57.3 | Low | 58.9 | Low | 84 Ų | 84 | 147.3 Ų | 147.3 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | | | trans | -58.7 | 114 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | A313 T317 | A313-A315 PolarHBondContact O-N 3.1Å; A315-T317 PolarHBondContact O-N 2.92Å |
| 316 | K | 58 | Low | 57.4 | Low | 209 Ų | 209 | 148.2 Ų | 148.2 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | | | trans | -75.5 | 53.1 | 169.7 | -72.9 | -170.8 | 174 | -173.6 | 0 | 110.4 | K314 D318 | K314-K316 PolarHBondContact O-N 2.86Å; K314-K316 VanDerWaalsContact O-N 3.08Å; K316-D318 PolarHBondContact O-N 3.14Å |
| 317 | T | 57.4 | Low | 55.8 | Low | 110 Ų | 110 | 144.2 Ų | 144.2 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | | | trans | -90.7 | 65.2 | 165.7 | -46.9 | 0 | 0 | 0 | 0 | 107.3 | A315 H319 | A315-T317 PolarHBondContact O-N 2.92Å; T317-H319 PolarHBondContact O-N 2.84Å |
| 318 | D | 53 | Low | 54.7 | Low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | trans | -79.9 | 67.8 | 168.6 | -175.5 | 23.4 | 0 | 0 | 0 | 109.4 | K316 | K316-D318 PolarHBondContact O-N 3.14Š|
| 319 | H | 49.4 | Very low | 53.3 | Low | 164 Ų | 164 | 145.9 Ų | 145.9 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | -125 | 92.2 | 164 | -71.7 | -13.9 | 0 | 0 | 0 | 105.8 | T317 A321 | T317-H319 PolarHBondContact O-N 2.84Å; H319-A321 VanDerWaalsContact C-N 3.31Å; H319-A321 PolarHBondContact O-N 3Å |
| 320 | G | 55.4 | Low | 52.2 | Low | 81 Ų | 81 | 144.3 Ų | 144.3 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | trans | -62.1 | 87.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 321 | A | 50.9 | Low | 51.1 | Low | 84 Ų | 84 | 138.9 Ų | 138.9 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | | | trans | -92.5 | 101.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | H319 I323 | H319-A321 VanDerWaalsContact C-N 3.31Å; H319-A321 PolarHBondContact O-N 3Å; A321-I323 PolarHBondContact O-N 3.17Å; A321-I323 VanDerWaalsContact O-N 3.1Å |
| 322 | E | 48.1 | Very low | 49.9 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | -56.6 | 115.5 | 159.4 | -73.1 | -170.4 | 141.4 | 0 | 0 | 108 | V324 | E322-V324 HydrophobicContact CB-CG2 3.97Å; E322-V324 PolarHBondContact O-N 3.43Å |
| 323 | I | 58.7 | Low | 49.5 | Very low | 149 Ų | 149 | 133 Ų | 133 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | -77.2 | 78.3 | 169.5 | -54 | -179.3 | 0 | 0 | 0 | 107 | A321 Y325 | A321-I323 PolarHBondContact O-N 3.17Å; A321-I323 VanDerWaalsContact O-N 3.1Å; I323-Y325 HydrophobicContact CG2-CD2 4.07Å; I323-Y325 HydrophobicContact CG2-CE2 4.5Å; I323-Y325 PolarHBondContact O-N 3.18Å |
| 324 | V | 50.2 | Low | 48.8 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 58% | 0.576 | 78% | 0.777 | S | S | * | * | | | trans | -65.6 | 97.1 | 172.6 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | E322 K326 | E322-V324 HydrophobicContact CB-CG2 3.97Å; E322-V324 PolarHBondContact O-N 3.43Å; V324-K326 HydrophobicContact CG1-CG 4.13Å; V324-K326 PolarHBondContact O-N 3.35Å |
| 325 | Y | 50.3 | Low | 47.8 | Very low | 209 Ų | 209 | 131.1 Ų | 131.1 | 82% | 0.82 | 77% | 0.767 | S | S | * | * | | | trans | -72.2 | 77.4 | 173.3 | -123.1 | -87.8 | 0 | 0 | 0 | 109.7 | I323 S327 | I323-Y325 HydrophobicContact CG2-CD2 4.07Å; I323-Y325 HydrophobicContact CG2-CE2 4.5Å; I323-Y325 PolarHBondContact O-N 3.18Å; Y325-S327 VanDerWaalsContact C-N 3.3Å; Y325-S327 PolarHBondContact O-N 3.42Å |
| 326 | K | 43.1 | Very low | 47.3 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | | | trans | -71.4 | 89.6 | 163.6 | -89.2 | -173.6 | 175.2 | -175.3 | 0 | 108.6 | V324 | V324-K326 HydrophobicContact CG1-CG 4.13Å; V324-K326 PolarHBondContact O-N 3.35Å |
| 327 | S | 42.7 | Very low | 46.7 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | trans | -58.2 | 134.2 | 162.6 | 41.1 | 0 | 0 | 0 | 0 | 109.6 | Y325 V329 | Y325-S327 VanDerWaalsContact C-N 3.3Å; Y325-S327 PolarHBondContact O-N 3.42Å; S327-V329 PolarHBondContact O-N 3.41Å |
| 328 | P | 45.8 | Very low | 46.3 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | -60.8 | 133.8 | 169.3 | -22.6 | 34.2 | 0 | 0 | 0 | 110.1 | V330 | P328-V330 PolarHBondContact O-N 3.41Š|
| 329 | V | 41.8 | Very low | 45.7 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -68.8 | 112.1 | -177.5 | -167.1 | 0 | 0 | 0 | 0 | 109.7 | S327 | S327-V329 PolarHBondContact O-N 3.41Š|
| 330 | V | 39.9 | Very low | 45.5 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | -129.7 | 118.3 | 155.8 | 177.3 | 0 | 0 | 0 | 0 | 107.2 | P328 | P328-V330 PolarHBondContact O-N 3.41Š|
| 331 | S | 42.8 | Very low | 45.1 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -60.5 | 134.5 | -179.8 | -49.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 332 | G | 35.7 | Very low | 44.7 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -174.5 | 92.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | T334 | G332-T334 PolarHBondContact O-N 3.14Š|
| 333 | D | 46.1 | Very low | 44.3 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | trans | -61.3 | 123.6 | 179.2 | -165.4 | -9.9 | 0 | 0 | 0 | 110.8 | | |
| 334 | T | 40.6 | Very low | 43.4 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | | | trans | 178.1 | 133.3 | 144.9 | 24 | 0 | 0 | 0 | 0 | 114 | G332 | G332-T334 PolarHBondContact O-N 3.14Š|
| 335 | S | 35.7 | Very low | 43.2 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | | | trans | -42.3 | 140.3 | 176.5 | -174.7 | 0 | 0 | 0 | 0 | 117.9 | R337 | S335-R337 PolarHBondContact O-N 2.82Š|
| 336 | P | 47.9 | Very low | 42.8 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | | | trans | -78.9 | 97 | 172.7 | 32.5 | -33.1 | 0 | 0 | 0 | 111.7 | | |
| 337 | R | 45.1 | Very low | 42.9 | Very low | 230 Ų | 230 | 129 Ų | 129 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | | | trans | -85.4 | 124.5 | 169.3 | -77 | -161.6 | 175.6 | -155.1 | 1.3 | 112.2 | S335 L339 | S335-R337 PolarHBondContact O-N 2.82Å; R337-L339 PolarHBondContact O-N 3.47Å |
| 338 | H | 49.5 | Very low | 42.9 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -72 | 109.6 | 173.3 | 165.9 | -75.2 | 0 | 0 | 0 | 111.9 | | |
| 339 | L | 40.1 | Very low | 42.6 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | | | trans | -151.8 | 106.9 | 167.3 | -73 | -177.6 | 0 | 0 | 0 | 107.9 | R337 | R337-L339 PolarHBondContact O-N 3.47Š|
| 340 | S | 44.3 | Very low | 43 | Very low | 89 Ų | 89 | 134 Ų | 134 | 62% | 0.622 | 80% | 0.8 | S | S | * | * | | | | 75.8 | 116.7 | 87.9 | 73.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 341 | N | 47.7 | Very low | 43.8 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | | | trans | 24.8 | 105.6 | 159.3 | -62.6 | -5.3 | 0 | 0 | 0 | 119 | | |
| 342 | V | 41.6 | Very low | 44.1 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | | | trans | -99.5 | 95.2 | 162.7 | -75.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 343 | S | 40.4 | Very low | 44.9 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -71.8 | 126.9 | 153.6 | -64 | 0 | 0 | 0 | 0 | 108.7 | T345 | S343-T345 PolarHBondContact O-N 3.09Š|
| 344 | S | 39.7 | Very low | 45.3 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | | | trans | -88.1 | 94.3 | 167.7 | -73.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 345 | T | 45.7 | Very low | 45.8 | Very low | 134 Ų | 134 | 135 Ų | 135 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -113.5 | 125.5 | 161.7 | 48 | 0 | 0 | 0 | 0 | 109.6 | S343 | S343-T345 PolarHBondContact O-N 3.09Š|
| 346 | G | 42.8 | Very low | 46.7 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 156.5 | 139.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 347 | S | 44.1 | Very low | 47 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | cis | -163.3 | 169.2 | -5.9 | -169.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 348 | I | 43.9 | Very low | 47.7 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | | | trans | 70.4 | 119.6 | 176.4 | -80.8 | 165.2 | 0 | 0 | 0 | 113.2 | | |
| 349 | D | 39.2 | Very low | 48.1 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | | | cis | -145 | 167.2 | 3 | -134.1 | -49.4 | 0 | 0 | 0 | 114 | | |
| 350 | M | 50.3 | Low | 49.1 | Very low | 182 Ų | 182 | 119.4 Ų | 119.4 | 90% | 0.897 | 73% | 0.729 | S | S | * | * | | | trans | -146.9 | 82.5 | 169 | -93.7 | -169.9 | 63.8 | 0 | 0 | 110.2 | | |
| 351 | V | 57 | Low | 50 | Low | 127 Ų | 127 | 121.1 Ų | 121.1 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | | | trans | -134 | 134.1 | 158.3 | -72.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 352 | D | 49.6 | Very low | 50.7 | Low | 154 Ų | 154 | 120 Ų | 120 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | | | trans | 60 | 75.7 | 167.6 | -146.6 | 31.6 | 0 | 0 | 0 | 118 | | |
| 353 | S | 50.5 | Low | 52 | Low | 107 Ų | 107 | 117.7 Ų | 117.7 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 118 | 149.1 | -68.3 | 0 | 0 | 0 | 0 | 108.6 | Q355 | S353-Q355 PolarHBondContact O-N 3.05Å; S353-Q355 VanDerWaalsContact O-N 3.14Å |
| 354 | P | 55 | Low | 53.5 | Low | 104 Ų | 104 | 116.3 Ų | 116.3 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 121.1 | 173.7 | 24.9 | -32.6 | 0 | 0 | 0 | 109 | L356 | P354-L356 PolarHBondContact O-N 3.49Š|
| 355 | Q | 52.7 | Low | 54.9 | Low | 149 Ų | 149 | 113.1 Ų | 113.1 | 70% | 0.696 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 134 | -173.2 | -65.1 | 175.1 | -15.6 | 0 | 0 | 110.3 | S353 A357 T358 | S353-Q355 PolarHBondContact O-N 3.05Å; S353-Q355 VanDerWaalsContact O-N 3.14Å; Q355-A357 PolarHBondContact O-N 3.22Å; Q355-T358 PolarHBondContact O-N 3.44Å; Q355-T358 PolarHBondContact O-OG1 3.31Å; Q355-T358 VanDerWaalsContact O-OG1 3.09Å |
| 356 | L | 53.6 | Low | 56 | Low | 151 Ų | 151 | 110 Ų | 110 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -55.6 | -10.7 | 179.2 | -70 | 165.2 | 0 | 0 | 0 | 114.6 | P354 L359 | P354-L356 PolarHBondContact O-N 3.49Å; L356-L359 HydrophobicContact CD2-CD1 4.4Å |
| 357 | A | 54.9 | Low | 57.3 | Low | 70 Ų | 70 | 110.8 Ų | 110.8 | 58% | 0.579 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.5 | -37.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q355 L359 A360 D361 | Q355-A357 PolarHBondContact O-N 3.22Å; A357-L359 PolarHBondContact O-N 3.16Å; A357-A360 PolarHBondContact O-N 3.49Å; A357-D361 PolarHBondContact O-N 3.06Å |
| 358 | T | 59.4 | Low | 58.4 | Low | 82 Ų | 82 | 109 Ų | 109 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -72 | -31.7 | -175.7 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | Q355 A360 D361 E362 | Q355-T358 PolarHBondContact O-N 3.44Å; Q355-T358 PolarHBondContact O-OG1 3.31Å; Q355-T358 VanDerWaalsContact O-OG1 3.09Å; T358-A360 VanDerWaalsContact C-N 3.3Å; T358-A360 PolarHBondContact O-N 3.35Å; T358-D361 PolarHBondContact O-N 2.91Å; T358-E362 PolarHBondContact O-N 3.49Å; T358-E362 VanDerWaalsContact O-N 3.16Å |
| 359 | L | 57.7 | Low | 59.4 | Low | 99 Ų | 99 | 111.2 Ų | 111.2 | 52% | 0.518 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.7 | -30.2 | 174.9 | -71.8 | 167.7 | 0 | 0 | 0 | 112.8 | L356 A357 V363 | L356-L359 HydrophobicContact CD2-CD1 4.4Å; A357-L359 PolarHBondContact O-N 3.16Å; L359-V363 VanDerWaalsContact O-CG2 3.3Å; L359-V363 WeakPolarHBondContact O-CG2 3.3Å; L359-V363 PolarHBondContact O-N 3.37Å |
| 360 | A | 60.5 | Low | 60.6 | Low | 57 Ų | 57 | 112.1 Ų | 112.1 | 47% | 0.471 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -71 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | A357 T358 S364 | A357-A360 PolarHBondContact O-N 3.49Å; T358-A360 VanDerWaalsContact C-N 3.3Å; T358-A360 PolarHBondContact O-N 3.35Å; A360-S364 WeakPolarHBondContact O-CB 3.49Å; A360-S364 PolarHBondContact O-N 3.5Å; A360-S364 PolarHBondContact O-OG 2.94Å |
| 361 | D | 63.3 | Low | 61.1 | Low | 125 Ų | 125 | 106.8 Ų | 106.8 | 67% | 0.668 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.1 | -40.1 | 178.9 | -124.9 | 20.6 | 0 | 0 | 0 | 111.4 | A357 T358 V363 S364 A365 | A357-D361 PolarHBondContact O-N 3.06Å; T358-D361 PolarHBondContact O-N 2.91Å; D361-V363 PolarHBondContact O-N 3.36Å; D361-S364 PolarHBondContact O-N 3.35Å; D361-A365 VanDerWaalsContact O-CB 3.3Å; D361-A365 WeakPolarHBondContact O-CB 3.25Å; D361-A365 PolarHBondContact O-N 2.87Å |
| 362 | E | 63.1 | Low | 60.9 | Low | 138 Ų | 138 | 109.7 Ų | 109.7 | 65% | 0.645 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.2 | -40.2 | 173.2 | -76.1 | -164.9 | 132.4 | 0 | 0 | 112.9 | T358 S366 | T358-E362 PolarHBondContact O-N 3.49Å; T358-E362 VanDerWaalsContact O-N 3.16Å; E362-S366 VanDerWaalsContact O-CB 3.25Å; E362-S366 WeakPolarHBondContact O-CB 3.3Å; E362-S366 PolarHBondContact O-N 3.1Å |
| 363 | V | 68.7 | Low | 61.4 | Low | 96 Ų | 96 | 107.5 Ų | 107.5 | 58% | 0.582 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.4 | -42.4 | 176.2 | 170 | 0 | 0 | 0 | 0 | 110.9 | L359 D361 S366 L367 | L359-V363 VanDerWaalsContact O-CG2 3.3Å; L359-V363 WeakPolarHBondContact O-CG2 3.3Å; L359-V363 PolarHBondContact O-N 3.37Å; D361-V363 PolarHBondContact O-N 3.36Å; V363-S366 PolarHBondContact O-N 3.45Å; V363-L367 PolarHBondContact O-N 3.03Å |
| 364 | S | 72.6 | Confident | 62 | Low | 76 Ų | 76 | 107.5 Ų | 107.5 | 53% | 0.531 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.3 | -42.7 | 177.9 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | A360 D361 S366 L367 A368 | A360-S364 WeakPolarHBondContact O-CB 3.49Å; A360-S364 PolarHBondContact O-N 3.5Å; A360-S364 PolarHBondContact O-OG 2.94Å; D361-S364 PolarHBondContact O-N 3.35Å; S364-S366 VanDerWaalsContact C-N 3.32Å; S364-S366 PolarHBondContact O-N 3.19Å; S364-L367 PolarHBondContact O-N 2.88Å; S364-A368 PolarHBondContact O-N 3.4Å; S364-A368 VanDerWaalsContact O-N 3.1Å |
| 365 | A | 68.2 | Low | 62.4 | Low | 61 Ų | 61 | 107.7 Ų | 107.7 | 50% | 0.504 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.5 | -31.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | D361 K369 | D361-A365 VanDerWaalsContact O-CB 3.3Å; D361-A365 WeakPolarHBondContact O-CB 3.25Å; D361-A365 PolarHBondContact O-N 2.87Å; A365-K369 PolarHBondContact O-N 3.44Å |
| 366 | S | 68 | Low | 63 | Low | 70 Ų | 70 | 105.2 Ų | 105.2 | 49% | 0.49 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73 | -36.4 | 175.9 | -162.8 | 0 | 0 | 0 | 0 | 112.3 | E362 V363 S364 K369 Q370 | E362-S366 VanDerWaalsContact O-CB 3.25Å; E362-S366 WeakPolarHBondContact O-CB 3.3Å; E362-S366 PolarHBondContact O-N 3.1Å; V363-S366 PolarHBondContact O-N 3.45Å; S364-S366 VanDerWaalsContact C-N 3.32Å; S364-S366 PolarHBondContact O-N 3.19Å; S366-K369 PolarHBondContact O-N 3.41Å; S366-Q370 PolarHBondContact O-N 3.48Å |
| 367 | L | 70.8 | Confident | 63.5 | Low | 93 Ų | 93 | 102.4 Ų | 102.4 | 49% | 0.487 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.3 | -46.7 | 173 | -128.4 | 76 | 0 | 0 | 0 | 111.6 | V363 S364 K369 Q370 G371 | V363-L367 PolarHBondContact O-N 3.03Å; S364-L367 PolarHBondContact O-N 2.88Å; L367-K369 PolarHBondContact O-N 2.93Å; L367-Q370 WeakPolarHBondContact O-CA 3.49Å; L367-Q370 PolarHBondContact O-N 3.32Å; L367-G371 PolarHBondContact O-N 3.08Å |
| 368 | A | 67.4 | Low | 64.1 | Low | 77 Ų | 77 | 104.5 Ų | 104.5 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -59.7 | -30 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S364 Q370 | S364-A368 PolarHBondContact O-N 3.4Å; S364-A368 VanDerWaalsContact O-N 3.1Å; A368-Q370 VanDerWaalsContact C-N 3.32Å |
| 369 | K | 64.1 | Low | 64.5 | Low | 194 Ų | 194 | 106.1 Ų | 106.1 | 84% | 0.843 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -16.3 | 173.1 | -91.9 | -178.8 | 175.5 | 173.6 | 0 | 114.6 | A365 S366 L367 | A365-K369 PolarHBondContact O-N 3.44Å; S366-K369 PolarHBondContact O-N 3.41Å; L367-K369 PolarHBondContact O-N 2.93Å |
| 370 | Q | 65.6 | Low | 65 | Low | 142 Ų | 142 | 106.7 Ų | 106.7 | 66% | 0.664 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -4.2 | 175.4 | -68.6 | -173.3 | -18.6 | 0 | 0 | 113.2 | S366 L367 A368 | S366-Q370 PolarHBondContact O-N 3.48Å; L367-Q370 WeakPolarHBondContact O-CA 3.49Å; L367-Q370 PolarHBondContact O-N 3.32Å; A368-Q370 VanDerWaalsContact C-N 3.32Å |
| 371 | G | 59.8 | Low | 65.3 | Low | 71 Ų | 71 | 110.8 Ų | 110.8 | 73% | 0.732 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.1 | 33.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L367 | L367-G371 PolarHBondContact O-N 3.08Š|
| 372 | L | 52.6 | Low | 65.5 | Low | 187 Ų | 187 | 109.5 Ų | 109.5 | 98% | 0.979 | 65% | 0.645 | S | S | * | * | | | trans | -107.6 | 0 | 175.8 | -98.8 | 160.1 | 0 | 0 | 0 | 111.2 | | |