| 1 | M | 37.6 | Very low | 37 | Very low | 214 Ų | 214 | 147.1 Ų | 147.1 | 100% | 1.054 | 80% | 0.804 | S | S | * | * | | | | 0 | 63.7 | 0 | -61.7 | -178.7 | -171.2 | 0 | 0 | 107 | | |
| 2 | D | 34.5 | Very low | 37 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | | | | 73.3 | 127.2 | 62.9 | -41.4 | -27 | 0 | 0 | 0 | 108.2 | | |
| 3 | D | 33.9 | Very low | 36.9 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | cis | -164.8 | -169.2 | -6.2 | -141.8 | -46.1 | 0 | 0 | 0 | 107.8 | | |
| 4 | A | 39.4 | Very low | 36.8 | Very low | 73 Ų | 73 | 146.8 Ų | 146.8 | 60% | 0.603 | 78% | 0.784 | S | S | * | * | | | trans | 38.4 | 116 | 145.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 5 | V | 35.4 | Very low | 36.5 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | | 40.6 | 100.6 | 126.7 | -173 | 0 | 0 | 0 | 0 | 117.2 | | |
| 6 | K | 42.2 | Very low | 36.3 | Very low | 205 Ų | 205 | 145.1 Ų | 145.1 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | trans | -148.7 | 88.5 | 153.4 | -118.9 | 158.9 | -170.1 | 166.8 | 0 | 113.5 | | |
| 7 | L | 32.2 | Very low | 36 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 94% | 0.937 | 78% | 0.784 | S | S | * | * | | | trans | -70.6 | 124.9 | 163.1 | -87.9 | 164 | 0 | 0 | 0 | 110 | | |
| 8 | S | 40.3 | Very low | 36 | Very low | 107 Ų | 107 | 145.2 Ų | 145.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -161 | 136.6 | 162 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 9 | A | 36.9 | Very low | 35.7 | Very low | 81 Ų | 81 | 144.9 Ų | 144.9 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | | | cis | -179.5 | 165.9 | -28.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 10 | I | 38.3 | Very low | 35.4 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | 69.1 | 117.6 | 168.3 | -55.4 | 145.7 | 0 | 0 | 0 | 112.9 | I12 | I10-I12 HydrophobicContact CG2-CD1 4.18Š|
| 11 | K | 36.3 | Very low | 35.3 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | | -151.9 | 114.5 | 51.3 | -152.1 | 164.3 | -178.1 | 176.2 | 0 | 108.7 | | |
| 12 | I | 37 | Very low | 35.1 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | | | | 57.7 | 116 | 88.8 | -60.2 | 170 | 0 | 0 | 0 | 110.5 | I10 | I10-I12 HydrophobicContact CG2-CD1 4.18Š|
| 13 | S | 35.6 | Very low | 35.1 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | cis | -154.5 | 169.3 | 17.8 | -90.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 14 | R | 35.2 | Very low | 34.9 | Very low | 207 Ų | 207 | 134.8 Ų | 134.8 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | | | cis | -161.9 | 131.8 | -10 | -108.5 | 171.8 | -178 | 177.2 | -0.6 | 105.2 | | |
| 15 | Q | 32.7 | Very low | 34.7 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | | 65.1 | 125.4 | 88.9 | -171.6 | -177.6 | 11.8 | 0 | 0 | 114.1 | | |
| 16 | S | 33.2 | Very low | 34.4 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | | | cis | -170.4 | 154.7 | -12.6 | 46.8 | 0 | 0 | 0 | 0 | 112 | | |
| 17 | Q | 30.7 | Very low | 34 | Very low | 186 Ų | 186 | 129.4 Ų | 129.4 | 87% | 0.869 | 72% | 0.717 | S | S | * | * | | | trans | -92.5 | 177 | 155.7 | -89.2 | -175.1 | -24.8 | 0 | 0 | 109.9 | | |
| 18 | P | 36.7 | Very low | 33.8 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 71% | 0.709 | S | S | * | * | | | cis | -131.4 | -156.5 | -16.6 | 32 | -9 | 0 | 0 | 0 | 112.6 | | |
| 19 | L | 30.6 | Very low | 33.4 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | | | trans | 89 | 125.9 | 151.5 | -117.9 | 77.3 | 0 | 0 | 0 | 120.5 | | |
| 20 | E | 30 | Very low | 33.1 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | | | trans | 58.4 | 154.1 | 157.6 | -36.5 | -159.2 | 153.1 | 0 | 0 | 118.6 | | |
| 21 | S | 32.5 | Very low | 32.9 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | | | cis | -143.8 | 167.1 | -10.4 | 75.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 22 | D | 33.3 | Very low | 32.6 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | | | trans | 48.3 | 145.9 | 156.1 | -49.7 | -51.3 | 0 | 0 | 0 | 122 | | |
| 23 | G | 34.5 | Very low | 32.4 | Very low | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | | | trans | 136.2 | 92.2 | 161 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 24 | L | 30.1 | Very low | 32.4 | Very low | 79 Ų | 79 | 130.2 Ų | 130.2 | 41% | 0.414 | 73% | 0.731 | S | S | . | * | | | trans | -62 | 141.7 | 163.3 | -81.6 | 53.6 | 0 | 0 | 0 | 110.5 | T180 L181 T182 | L24-T180 HydrophobicContact CB-CG2 3.71Å; L24-T180 HydrophobicContact CD2-CG2 3.89Å; L24-T180 HydrophobicContact CG-CG2 3.7Å; L24-L181 VanDerWaalsContact CD2-O 3.25Å; L24-L181 WeakPolarHBondContact CD2-O 3.38Å; L24-L181 WeakPolarHBondContact CG-O 3.44Å; L24-T182 HydrophobicContact CD1-CG2 3.83Å; L24-T182 WeakPolarHBondContact CD2-OG1 3.35Å |
| 25 | T | 34.5 | Very low | 32.3 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | | | | -167.9 | 141.7 | 118.5 | 18.3 | 0 | 0 | 0 | 0 | 111.6 | T179 T180 | T25-T179 HydrophobicContact CG2-CG2 3.7Å; T25-T180 WeakPolarHBondContact CA-OG1 3.18Å |
| 26 | V | 30.2 | Very low | 32.3 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 49% | 0.491 | 73% | 0.732 | S | S | . | * | | | trans | -101.9 | 145.8 | 173.5 | 166 | 0 | 0 | 0 | 0 | 109 | T179 T180 | V26-T179 VanDerWaalsContact O-CG2 3.24Å; V26-T179 WeakPolarHBondContact O-CG2 3.38Å; V26-T180 HydrophobicContact CB-CG2 4.15Å; V26-T180 HydrophobicContact CG2-CG2 3.74Å; V26-T180 PolarHBondContact N-OG1 2.97Å |
| 27 | I | 32.7 | Very low | 32.6 | Very low | 107 Ų | 107 | 127 Ų | 127 | 55% | 0.549 | 74% | 0.736 | S | S | . | * | | | trans | 174.4 | 148.6 | 134.5 | -91.1 | 159.3 | 0 | 0 | 0 | 109.4 | E178 T179 | I27-E178 HydrophobicContact CD1-CB 4.11Å; I27-T179 HydrophobicContact CD1-CG2 4.05Å |
| 28 | N | 27.7 | Very low | 32.8 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | | | trans | -70.8 | 150.1 | -178.5 | -49.7 | -73.2 | 0 | 0 | 0 | 112.7 | | |
| 29 | T | 32.2 | Very low | 32.9 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | | | | -161.1 | 161.1 | 117.2 | 7.7 | 0 | 0 | 0 | 0 | 113 | | |
| 30 | S | 30.3 | Very low | 32.9 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -64.1 | 149.8 | -179.3 | 52.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 31 | E | 34.4 | Very low | 33.1 | Very low | 198 Ų | 198 | 129.6 Ų | 129.6 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | | | trans | -142.9 | 154.3 | 136 | -134.9 | 167.2 | -140.7 | 0 | 0 | 111.8 | | |
| 32 | T | 31.5 | Very low | 33.3 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | | | trans | -121.9 | 162.7 | -172.3 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 33 | N | 32.1 | Very low | 33.2 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | trans | 84.8 | 103.6 | 169.9 | -45.8 | -69 | 0 | 0 | 0 | 117.4 | | |
| 34 | A | 35 | Very low | 33 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | -150.3 | 118.5 | 142.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 35 | M | 34.4 | Very low | 33.1 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | | | trans | 44.2 | 86.3 | 145.2 | -48.3 | -63.3 | -88.5 | 0 | 0 | 117.9 | | |
| 36 | S | 32.1 | Very low | 32.9 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | | 53.7 | 105.2 | 81.1 | 81.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 37 | V | 38.7 | Very low | 32.9 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | | | trans | -151.7 | 103.3 | 141.5 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 38 | L | 34.6 | Very low | 33 | Very low | 162 Ų | 162 | 155.2 Ų | 155.2 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | | | trans | 61.8 | 156.7 | 148.4 | -63 | 174.9 | 0 | 0 | 0 | 122.3 | | |
| 39 | P | 40.2 | Very low | 33 | Very low | 98 Ų | 98 | 156.1 Ų | 156.1 | 64% | 0.636 | 83% | 0.832 | S | S | * | * | | | trans | -141.9 | -159.4 | -146.4 | 38 | -13.6 | 0 | 0 | 0 | 115.6 | | |
| 40 | R | 30.2 | Very low | 33 | Very low | 233 Ų | 233 | 154.1 Ų | 154.1 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | | | trans | 70 | 100.8 | 163.8 | -62.3 | 166.7 | 175.2 | 151.3 | -3.7 | 117.5 | | |
| 41 | L | 34 | Very low | 32.9 | Very low | 172 Ų | 172 | 157.9 Ų | 157.9 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -155.5 | -3.6 | 143.8 | -142.3 | 85.3 | 0 | 0 | 0 | 117.5 | | |
| 42 | L | 36.3 | Very low | 32.8 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -135.7 | 63.3 | -172.8 | -101.5 | 157.9 | 0 | 0 | 0 | 114.4 | | |
| 43 | R | 31.6 | Very low | 32.9 | Very low | 237 Ų | 237 | 152.7 Ų | 152.7 | 89% | 0.894 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -136.2 | 155.7 | 150.4 | -84.2 | -167.2 | 176.3 | 98 | 0.1 | 108.1 | | |
| 44 | T | 30.1 | Very low | 32.9 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 85% | 0.847 | 83% | 0.829 | S | S | * | * | | | trans | 69.4 | 80.1 | -176.5 | -46.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 45 | M | 32 | Very low | 33 | Very low | 191 Ų | 191 | 155.2 Ų | 155.2 | 94% | 0.941 | 83% | 0.833 | S | S | * | * | | | trans | -161.6 | 49.4 | 147.2 | -106.6 | -53.8 | -164 | 0 | 0 | 110.4 | | |
| 46 | T | 29.9 | Very low | 32.9 | Very low | 133 Ų | 133 | 153.8 Ų | 153.8 | 82% | 0.816 | 83% | 0.829 | S | S | * | * | | | trans | -120.4 | 140.1 | 168.5 | 45.6 | 0 | 0 | 0 | 0 | 109 | | |
| 47 | S | 30.8 | Very low | 32.9 | Very low | 119 Ų | 119 | 158.1 Ų | 158.1 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | S | Bend | trans | 60.5 | 89.9 | 178.2 | -160.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 48 | R | 34.2 | Very low | 32.6 | Very low | 248 Ų | 248 | 156.9 Ų | 156.9 | 94% | 0.936 | 84% | 0.835 | S | S | * | * | | | | -171.1 | 107.8 | 128.7 | -107.8 | 174.7 | 179.1 | -178.1 | -0.9 | 111.3 | | |
| 49 | N | 28.5 | Very low | 32.5 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | | | trans | -147.1 | 68.8 | 166.3 | -174.4 | 33 | 0 | 0 | 0 | 109.9 | | |
| 50 | S | 31.5 | Very low | 32.3 | Very low | 102 Ų | 102 | 154 Ų | 154 | 71% | 0.713 | 84% | 0.836 | S | S | * | * | | | trans | -156 | 154.6 | 173.7 | -66.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 51 | Q | 29.3 | Very low | 32.6 | Very low | 184 Ų | 184 | 150.1 Ų | 150.1 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | | | trans | 56.7 | 99.3 | 176 | -96.4 | 72.2 | 13.1 | 0 | 0 | 117 | | |
| 52 | A | 31.3 | Very low | 32.6 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | | | trans | -154.8 | 70.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 53 | A | 34.2 | Very low | 32.5 | Very low | 85 Ų | 85 | 144.6 Ų | 144.6 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | | | trans | -125.8 | 127 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 54 | N | 31.8 | Very low | 32.7 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | 60.9 | 132.6 | -179.1 | -50.9 | -20.5 | 0 | 0 | 0 | 113.4 | | |
| 55 | D | 38.5 | Very low | 32.8 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | | | | -150.3 | 169.5 | 60.5 | -95 | -41.7 | 0 | 0 | 0 | 114.6 | | |
| 56 | N | 30.4 | Very low | 32.8 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | -104.1 | 129.5 | -176.3 | -62.2 | -82.2 | 0 | 0 | 0 | 112.6 | | |
| 57 | Q | 34 | Very low | 32.8 | Very low | 190 Ų | 190 | 136.5 Ų | 136.5 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | | | trans | 173.3 | 155.3 | 150.8 | -100.2 | 159.7 | 54.9 | 0 | 0 | 109.7 | | |
| 58 | S | 31.2 | Very low | 32.9 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | | | cis | -175.7 | 134 | -31.3 | 49.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 59 | G | 33.7 | Very low | 32.8 | Very low | 67 Ų | 67 | 124.4 Ų | 124.4 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | | | trans | 152.2 | 111.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 60 | V | 35.9 | Very low | 32.9 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | | | | 74.8 | 114 | 68.1 | 172 | 0 | 0 | 0 | 0 | 110.3 | | |
| 61 | E | 34.8 | Very low | 32.8 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | | | cis | -163 | 162.4 | 4.5 | -125.7 | -176.5 | 133 | 0 | 0 | 114.1 | | |
| 62 | N | 34.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 121 Ų | 121 | 58% | 0.578 | 70% | 0.7 | S | S | * | * | | | trans | 77.7 | 118.5 | 140.9 | -72.4 | -22.7 | 0 | 0 | 0 | 125.4 | | |
| 63 | N | 34.8 | Very low | 32.6 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 65% | 0.652 | 69% | 0.686 | S | S | * | * | | | trans | 89.4 | 132.7 | 133.7 | -61.9 | -16.3 | 0 | 0 | 0 | 120.8 | | |
| 64 | Q | 34.5 | Very low | 32.2 | Very low | 145 Ų | 145 | 122 Ų | 122 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | | | cis | -164.2 | 144.5 | -14 | -122.6 | 172 | 50.4 | 0 | 0 | 111 | | |
| 65 | I | 33.5 | Very low | 32.2 | Very low | 144 Ų | 144 | 120.8 Ų | 120.8 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | | | trans | 45.2 | 143.2 | 141.4 | -63.8 | 165.9 | 0 | 0 | 0 | 120.1 | | |
| 66 | S | 30.9 | Very low | 32 | Very low | 91 Ų | 91 | 120.6 Ų | 120.6 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | | | cis | 171.8 | 137 | -36.4 | -101.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 67 | N | 29.3 | Very low | 32.3 | Very low | 150 Ų | 150 | 119.9 Ų | 119.9 | 80% | 0.802 | 69% | 0.692 | S | S | * | * | | | trans | 66 | 132 | 150.5 | -49.7 | -9.5 | 0 | 0 | 0 | 121.3 | | |
| 68 | G | 34.1 | Very low | 32.2 | Very low | 51 Ų | 51 | 114.2 Ų | 114.2 | 53% | 0.526 | 69% | 0.685 | S | S | . | * | | | trans | 175.2 | 106.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | P541 H542 | G68-P541 PolarHBondContact N-O 3.47Å; G68-H542 WeakPolarHBondContact CA-O 3.44Å |
| 69 | E | 32 | Very low | 32.4 | Very low | 61 Ų | 61 | 114.7 Ų | 114.7 | 29% | 0.285 | 69% | 0.689 | S | S | . | * | | | trans | -104 | 165.6 | 170.7 | -68.6 | -170.1 | 103 | 0 | 0 | 114.2 | L540 P541 H542 N543 | E69-L540 WeakPolarHBondContact OE1-CD1 3.45Å; E69-L540 WeakPolarHBondContact OE2-CA 3.29Å; E69-L540 WeakPolarHBondContact OE2-CB 3.45Å; E69-L540 WeakPolarHBondContact OE2-CD1 3.28Å; E69-L540 WeakPolarHBondContact OE2-CG 3.3Å; E69-P541 VanDerWaalsContact N-C 3.3Å; E69-P541 WeakPolarHBondContact OE2-CA 3.35Å; E69-H542 CarbonylContact O-C 3.11Å; E69-H542 WeakPolarHBondContact O-CA 3.47Å; E69-N543 PolarHBondContact O-N 3.35Å |
| 70 | L | 31.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 116 Ų | 116 | 56% | 0.555 | 69% | 0.693 | S | S | * | * | | | | -154.5 | 142.4 | 114.9 | -113.2 | 170.2 | 0 | 0 | 0 | 112.9 | H542 | L70-H542 WeakPolarHBondContact CD1-ND1 3.4Š|
| 71 | C | 27.7 | Very low | 32.2 | Very low | 83 Ų | 83 | 116.2 Ų | 116.2 | 56% | 0.561 | 69% | 0.694 | S | S | * | * | | | trans | -78.4 | 155.6 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 72 | F | 29.2 | Very low | 32.2 | Very low | 190 Ų | 190 | 115.4 Ų | 115.4 | 83% | 0.833 | 70% | 0.695 | S | S | * | * | | | trans | -164.6 | 117.6 | 139.6 | -94.7 | -56.3 | 0 | 0 | 0 | 115 | | |
| 73 | S | 28.4 | Very low | 32.2 | Very low | 92 Ų | 92 | 116.5 Ų | 116.5 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | | | trans | 37.7 | 116.5 | 137.5 | -56.7 | 0 | 0 | 0 | 0 | 124.2 | | |
| 74 | V | 25.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 115.9 Ų | 115.9 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | | | | 41.5 | 125.6 | 114 | -179.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 75 | S | 31.2 | Very low | 32.3 | Very low | 118 Ų | 118 | 116.1 Ų | 116.1 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | | | trans | -159.2 | 150.4 | 136.4 | -82.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 76 | I | 34.7 | Very low | 32.3 | Very low | 153 Ų | 153 | 113.9 Ų | 113.9 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | | | trans | -124.4 | 144.5 | -178.2 | -58.7 | 167.2 | 0 | 0 | 0 | 108.7 | | |
| 77 | P | 37.5 | Very low | 32.6 | Very low | 129 Ų | 129 | 114.6 Ų | 114.6 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | | | trans | -136.2 | 156.9 | 133.8 | 37.6 | -27.2 | 0 | 0 | 0 | 113.6 | | |
| 78 | G | 30.4 | Very low | 32.9 | Very low | 72 Ų | 72 | 112.9 Ų | 112.9 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | | | cis | 146.2 | 43.2 | -8.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 79 | S | 35 | Very low | 33 | Very low | 116 Ų | 116 | 115.2 Ų | 115.2 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | | | trans | -178.6 | 143.7 | 159.2 | 46.3 | 0 | 0 | 0 | 0 | 109 | | |
| 80 | A | 31.4 | Very low | 33 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | cis | 83.5 | 92 | 16.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 81 | V | 35.7 | Very low | 33 | Very low | 138 Ų | 138 | 117.3 Ų | 117.3 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | | | trans | -160.5 | 118.6 | 142.2 | -98.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 82 | N | 34.4 | Very low | 33.2 | Very low | 134 Ų | 134 | 118.3 Ų | 118.3 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | 36.3 | 135.7 | 133.1 | -75.8 | 57 | 0 | 0 | 0 | 125.4 | | |
| 83 | D | 34.9 | Very low | 33.2 | Very low | 131 Ų | 131 | 113.5 Ų | 113.5 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | 72.8 | 123.7 | 133 | -53.9 | -24.1 | 0 | 0 | 0 | 123 | | |
| 84 | S | 35.5 | Very low | 33.3 | Very low | 108 Ų | 108 | 118.5 Ų | 118.5 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | 29.1 | 129.8 | 133.6 | -49.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 85 | D | 34.5 | Very low | 33.5 | Very low | 150 Ų | 150 | 120.3 Ų | 120.3 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | | -161.4 | 166.6 | 69.9 | -135.1 | -40.7 | 0 | 0 | 0 | 116.7 | | |
| 86 | S | 35.1 | Very low | 33.5 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | trans | -22.4 | 140.1 | 165.2 | -52.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 87 | S | 37 | Very low | 33.4 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | | 156.1 | 149 | 100.5 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 88 | S | 35.7 | Very low | 33.2 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | 43 | 141.5 | 154.6 | 45.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 89 | S | 35.6 | Very low | 33.4 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | cis | -155 | 140.7 | 18.7 | 45.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 90 | S | 32.7 | Very low | 33.4 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | | 60.1 | 133 | 96.2 | -34.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 91 | S | 31.6 | Very low | 33.5 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | cis | -147 | 131.4 | 13.4 | -65.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 92 | S | 31.3 | Very low | 33.3 | Very low | 104 Ų | 104 | 118.6 Ų | 118.6 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | | 67.5 | 124.1 | 68.4 | 81.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 93 | S | 29 | Very low | 33.1 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | | | trans | -50.4 | 168.8 | 167.9 | 52 | 0 | 0 | 0 | 0 | 115.6 | | |
| 94 | F | 30.1 | Very low | 33.2 | Very low | 197 Ų | 197 | 117.9 Ų | 117.9 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | | -163.2 | 179.2 | 118.3 | -90.2 | -53.6 | 0 | 0 | 0 | 112.3 | | |
| 95 | M | 31.1 | Very low | 32.8 | Very low | 164 Ų | 164 | 119.8 Ų | 119.8 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | trans | -122.5 | 170.4 | -161.5 | -62.1 | 166 | 52.8 | 0 | 0 | 114.2 | | |
| 96 | S | 30.4 | Very low | 32.6 | Very low | 108 Ų | 108 | 116 Ų | 116 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | | | trans | 93.4 | 154.7 | 144 | -62.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 97 | T | 31.9 | Very low | 32.4 | Very low | 133 Ų | 133 | 120.2 Ų | 120.2 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | | | trans | -82.6 | 162.5 | -174 | 49.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 98 | P | 34.9 | Very low | 32.2 | Very low | 128 Ų | 128 | 123.2 Ų | 123.2 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | | | trans | -113.3 | 159.9 | 152.6 | 37.4 | -28.8 | 0 | 0 | 0 | 112.6 | | |
| 99 | S | 33.7 | Very low | 32 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | -150.3 | 139.2 | 169 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 100 | S | 35.6 | Very low | 32.2 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | 65 | 130.8 | 162.2 | -54.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 101 | G | 32.3 | Very low | 32.2 | Very low | 79 Ų | 79 | 122.9 Ų | 122.9 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | | | trans | 171.3 | 71.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 102 | S | 31.5 | Very low | 32.3 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -33.6 | 150.4 | 175.8 | -43.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 103 | S | 31.8 | Very low | 32.5 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | | 167.4 | 160.4 | 99.4 | -67.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 104 | L | 35 | Very low | 32.7 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | 75.8 | 116.5 | 160.1 | -49.8 | -165.8 | 0 | 0 | 0 | 117.5 | | |
| 105 | I | 28.7 | Very low | 33.2 | Very low | 147 Ų | 147 | 123.5 Ų | 123.5 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | | 78.7 | 121.8 | 101.2 | -70.1 | 173.3 | 0 | 0 | 0 | 112.5 | | |
| 106 | S | 29.7 | Very low | 33.1 | Very low | 70 Ų | 70 | 122 Ų | 122 | 49% | 0.49 | 77% | 0.773 | S | S | . | * | | | cis | -167.9 | 168 | 6.8 | -126.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 107 | F | 31.1 | Very low | 33.2 | Very low | 187 Ų | 187 | 121.4 Ų | 121.4 | 82% | 0.82 | 77% | 0.774 | S | S | * | * | | | trans | 55.2 | 132 | 148 | -55.8 | -38.8 | 0 | 0 | 0 | 119 | | |
| 108 | L | 31.8 | Very low | 33 | Very low | 169 Ų | 169 | 118.6 Ų | 118.6 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | | | cis | -143.6 | 174.2 | 19.1 | -107.5 | 138.4 | 0 | 0 | 0 | 112.4 | | |
| 109 | S | 31.4 | Very low | 32.6 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | -118.6 | 169.5 | -162.5 | -66.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 110 | P | 39.7 | Very low | 32.3 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | | | trans | -110.5 | 174.4 | -162.8 | 41.8 | -35.5 | 0 | 0 | 0 | 115.9 | | |
| 111 | G | 32.9 | Very low | 31.8 | Very low | 70 Ų | 70 | 119.1 Ų | 119.1 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | 112.2 | 137.6 | 137.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 112 | H | 35 | Very low | 31.5 | Very low | 180 Ų | 180 | 119.4 Ų | 119.4 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | | | trans | -152.6 | 162.7 | 151.7 | -132.3 | 61.6 | 0 | 0 | 0 | 114.1 | | |
| 113 | L | 34.4 | Very low | 31.2 | Very low | 136 Ų | 136 | 116 Ų | 116 | 71% | 0.712 | 73% | 0.73 | S | S | * | * | | | trans | -67.6 | 167.5 | -171.8 | -65.7 | 64.1 | 0 | 0 | 0 | 112.5 | | |
| 114 | G | 32.9 | Very low | 31 | Very low | 70 Ų | 70 | 118.6 Ų | 118.6 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | cis | 86.5 | 163.6 | 19.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 115 | P | 41.7 | Very low | 30.6 | Very low | 119 Ų | 119 | 113.6 Ų | 113.6 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | | | cis | -120.2 | -169 | -24.2 | 41.9 | -27.6 | 0 | 0 | 0 | 111.7 | | |
| 116 | V | 29.6 | Very low | 30.5 | Very low | 133 Ų | 133 | 112.6 Ų | 112.6 | 81% | 0.806 | 71% | 0.712 | S | S | * | * | | | trans | 162.3 | 128 | 139.2 | 152.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 117 | A | 31.3 | Very low | 30.4 | Very low | 95 Ų | 95 | 113.6 Ų | 113.6 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | | | trans | 56.5 | 156.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 118 | A | 28.7 | Very low | 30.4 | Very low | 74 Ų | 74 | 111.1 Ų | 111.1 | 61% | 0.612 | 73% | 0.725 | S | S | * | * | | | cis | -168.9 | 143 | -29.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 119 | M | 26.3 | Very low | 30.4 | Very low | 182 Ų | 182 | 108.2 Ų | 108.2 | 90% | 0.897 | 71% | 0.714 | S | S | * | * | | | trans | 65.2 | 157.9 | 159.1 | -63.6 | -179.2 | -70.7 | 0 | 0 | 119.6 | | |
| 120 | A | 27.1 | Very low | 30.1 | Very low | 95 Ų | 95 | 109 Ų | 109 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | | | trans | 54.8 | 109.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 121 | A | 25 | Very low | 29.5 | Very low | 90 Ų | 90 | 110.3 Ų | 110.3 | 74% | 0.744 | 71% | 0.711 | S | S | * | * | | | cis | 72.3 | 144.1 | 34 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 122 | V | 25.7 | Very low | 29.3 | Very low | 84 Ų | 84 | 112.4 Ų | 112.4 | 51% | 0.509 | 72% | 0.715 | S | S | . | * | | | trans | 72.7 | 95.4 | 177.6 | -163.9 | 0 | 0 | 0 | 0 | 116.3 | T470 M471 L472 | V122-T470 HydrophobicContact CB-CG2 3.73Å; V122-T470 HydrophobicContact CG1-CG2 3.58Å; V122-M471 WeakPolarHBondContact CG1-O 3.48Å; V122-L472 HydrophobicContact CG1-CB 4.17Å; V122-L472 HydrophobicContact CG1-CD1 4.21Å |
| 123 | A | 24.9 | Very low | 29.1 | Very low | 41 Ų | 41 | 110.3 Ų | 110.3 | 34% | 0.339 | 72% | 0.715 | S | S | . | * | | | trans | 98.2 | 139.1 | 145.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | M471 L472 | A123-M471 HydrophobicContact CB-CB 3.7Å; A123-M471 HydrophobicContact CB-CG 4.06Å; A123-M471 HydrophobicContact CB-SD 4.1Å; A123-L472 HydrophobicContact CB-CB 4.33Å; A123-L472 HydrophobicContact CB-CD1 3.51Å; A123-L472 HydrophobicContact CB-CG 3.48Å; A123-L472 VanDerWaalsContact CB-CG 3.48Å |
| 124 | L | 28.3 | Very low | 28.9 | Very low | 157 Ų | 157 | 109.9 Ų | 109.9 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | | | | -147.5 | 120.2 | 121.6 | -109.6 | 167.8 | 0 | 0 | 0 | 109 | M471 | L124-M471 HydrophobicContact CD2-SD 4.05Š|
| 125 | S | 26.5 | Very low | 28.7 | Very low | 41 Ų | 41 | 113.8 Ų | 113.8 | 29% | 0.287 | 72% | 0.717 | S | S | . | * | | | trans | -116 | 148.7 | 169.4 | 174.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 126 | T | 26.1 | Very low | 28.3 | Very low | 126 Ų | 126 | 116.6 Ų | 116.6 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | | | trans | 56.3 | 92.8 | 167.4 | 29.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 127 | A | 28.8 | Very low | 28.5 | Very low | 92 Ų | 92 | 118 Ų | 118 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | | | trans | -129.2 | 74.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 128 | V | 30 | Very low | 28.3 | Very low | 135 Ų | 135 | 121.8 Ų | 121.8 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | | | trans | -93.6 | 100.1 | 165.7 | 176.9 | 0 | 0 | 0 | 0 | 107.1 | T130 | V128-T130 PolarHBondContact O-N 3.24Š|
| 129 | T | 31.8 | Very low | 28.5 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | | | trans | -65.8 | 122.5 | 179.9 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | M131 | T129-M131 HydrophobicContact CG2-CE 4.24Å; T129-M131 HydrophobicContact CG2-CG 4.33Å; T129-M131 PolarHBondContact O-N 3.27Å |
| 130 | T | 25.7 | Very low | 28.8 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 80% | 0.798 | 73% | 0.729 | S | S | * | * | | | trans | -64.6 | 114.7 | 174.1 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | V128 | V128-T130 PolarHBondContact O-N 3.24Š|
| 131 | M | 27.7 | Very low | 28.9 | Very low | 160 Ų | 160 | 119.8 Ų | 119.8 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | | | trans | -126.7 | 116.1 | 175.2 | -66.6 | -85.3 | 87.9 | 0 | 0 | 109.6 | T129 | T129-M131 HydrophobicContact CG2-CE 4.24Å; T129-M131 HydrophobicContact CG2-CG 4.33Å; T129-M131 PolarHBondContact O-N 3.27Å |
| 132 | S | 29 | Very low | 29 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | trans | 4.2 | 112.9 | 170.4 | -166.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 133 | V | 29.7 | Very low | 29.2 | Very low | 137 Ų | 137 | 126 Ų | 126 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | | | trans | -79.7 | 116.6 | 157.5 | -79.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 134 | N | 29.6 | Very low | 29.5 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | | | trans | -165.3 | 153.3 | 150.6 | -97.9 | -20.8 | 0 | 0 | 0 | 108.2 | | |
| 135 | D | 28.6 | Very low | 29.6 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | 53.5 | 103.1 | 178.9 | -59.4 | -47.4 | 0 | 0 | 0 | 117.2 | | |
| 136 | I | 34.9 | Very low | 29.9 | Very low | 178 Ų | 178 | 131 Ų | 131 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | | | | -159.9 | 136.8 | 129.9 | -103.9 | 153.2 | 0 | 0 | 0 | 110 | | |
| 137 | Q | 33 | Very low | 30.3 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | -99.6 | 137.9 | -174.7 | -178.2 | 179.3 | -13.8 | 0 | 0 | 111.3 | | |
| 138 | E | 27.2 | Very low | 30.3 | Very low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | 17.2 | 103 | 162.7 | -58.1 | -172.3 | 135.4 | 0 | 0 | 119 | | |
| 139 | S | 32.1 | Very low | 30.3 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | -160.8 | 126.2 | 142.8 | 20.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 140 | S | 33.9 | Very low | 30.6 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | | | trans | 44.5 | 88.7 | 145.9 | -54.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 141 | G | 27.9 | Very low | 31.2 | Very low | 75 Ų | 75 | 123.3 Ų | 123.3 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | trans | -75.5 | -154 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 142 | L | 28.4 | Very low | 31.9 | Very low | 171 Ų | 171 | 120.1 Ų | 120.1 | 90% | 0.895 | 72% | 0.718 | S | S | * | * | | | trans | 82.9 | 34.2 | -171.5 | -80.8 | 169.5 | 0 | 0 | 0 | 118.1 | | |
| 143 | V | 29.1 | Very low | 32.3 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -136 | 159.8 | 145.2 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 144 | T | 32 | Very low | 32.8 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 70% | 0.699 | 69% | 0.691 | S | S | * | * | | | trans | 76.2 | 66.8 | 174.5 | -44.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 145 | L | 30.8 | Very low | 33.2 | Very low | 138 Ų | 138 | 117.7 Ų | 117.7 | 72% | 0.723 | 68% | 0.679 | S | S | * | * | | | trans | -124.6 | -24.8 | 167.6 | -93.5 | 167.4 | 0 | 0 | 0 | 115.4 | T147 S149 | L145-T147 PolarHBondContact O-N 3.36Å; L145-S149 PolarHBondContact O-N 3.33Å |
| 146 | A | 32.1 | Very low | 33.5 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -62.3 | -45.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 147 | T | 34.5 | Very low | 33.6 | Very low | 118 Ų | 118 | 117.9 Ų | 117.9 | 72% | 0.724 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.5 | -32.2 | -177.6 | -36.6 | 0 | 0 | 0 | 0 | 112.8 | L145 | L145-T147 PolarHBondContact O-N 3.36Å |
| 148 | A | 29 | Very low | 34.1 | Very low | 36 Ų | 36 | 113 Ų | 113 | 30% | 0.298 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.3 | -35.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S150 L151 I152 | A148-S150 VanDerWaalsContact C-N 3.32Å; A148-S150 PolarHBondContact O-N 3.43Å; A148-L151 PolarHBondContact O-N 2.98Å; A148-I152 WeakPolarHBondContact O-CG1 3.4Å; A148-I152 PolarHBondContact O-N 3.1Å; A148-I152 VanDerWaalsContact O-N 3.09Å |
| 149 | S | 30 | Very low | 34.4 | Very low | 67 Ų | 67 | 112.1 Ų | 112.1 | 47% | 0.469 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -57.5 | -43.2 | -178 | -157.4 | 0 | 0 | 0 | 0 | 112.3 | L145 L151 E153 | L145-S149 PolarHBondContact O-N 3.33Å; S149-L151 PolarHBondContact O-N 3.05Å; S149-E153 VanDerWaalsContact O-CB 3.28Å; S149-E153 WeakPolarHBondContact O-CB 3.42Å; S149-E153 PolarHBondContact O-N 3.36Å |
| 150 | S | 37 | Very low | 34.7 | Very low | 75 Ų | 75 | 109.4 Ų | 109.4 | 52% | 0.524 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.8 | -34.3 | -178.1 | -171.3 | 0 | 0 | 0 | 0 | 113.3 | A148 K154 | A148-S150 VanDerWaalsContact C-N 3.32Å; A148-S150 PolarHBondContact O-N 3.43Å; S150-K154 PolarHBondContact O-N 3.47Å |
| 151 | L | 39.3 | Very low | 34.7 | Very low | 131 Ų | 131 | 107.6 Ų | 107.6 | 69% | 0.686 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.3 | -45 | 179.7 | -171.7 | 60.8 | 0 | 0 | 0 | 111.2 | A148 S149 E153 K154 E155 | A148-L151 PolarHBondContact O-N 2.98Å; S149-L151 PolarHBondContact O-N 3.05Å; L151-E153 VanDerWaalsContact C-N 3.3Å; L151-E153 PolarHBondContact O-N 3.31Å; L151-K154 PolarHBondContact O-N 3.05Å; L151-E155 PolarHBondContact O-N 3.2Å |
| 152 | I | 41.8 | Very low | 35.2 | Very low | 93 Ų | 93 | 108.9 Ų | 108.9 | 48% | 0.477 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.9 | -37.8 | 175.5 | -68 | 171.9 | 0 | 0 | 0 | 110.7 | A148 K154 E155 W156 | A148-I152 WeakPolarHBondContact O-CG1 3.4Å; A148-I152 PolarHBondContact O-N 3.1Å; A148-I152 VanDerWaalsContact O-N 3.09Å; I152-K154 PolarHBondContact O-N 2.93Å; I152-E155 PolarHBondContact O-N 3.33Å; I152-W156 WeakPolarHBondContact O-CB 3.33Å; I152-W156 PolarHBondContact O-N 3.33Å |
| 153 | E | 38 | Very low | 35.6 | Very low | 81 Ų | 81 | 105.3 Ų | 105.3 | 38% | 0.379 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.7 | -30.1 | 175.2 | -97.1 | -163.1 | -115.2 | 0 | 0 | 114.7 | S149 L151 R157 | S149-E153 VanDerWaalsContact O-CB 3.28Å; S149-E153 WeakPolarHBondContact O-CB 3.42Å; S149-E153 PolarHBondContact O-N 3.36Å; L151-E153 VanDerWaalsContact C-N 3.3Å; L151-E153 PolarHBondContact O-N 3.31Å; E153-R157 WeakPolarHBondContact O-CG 3.33Å; E153-R157 PolarHBondContact O-N 3.37Å; E153-R157 PolarHBondContact O-NH1 3.02Å; E153-R157 IonicContact OE2-CZ 2.89Å; E153-R157 VanDerWaalsContact OE2-CZ 3.23Å; E153-R157 IonicContact OE2-NH1 3.23Å; E153-R157 PolarHBondContact OE2-NH1 3.09Å; E153-R157 IonicContact OE2-NH2 3.38Å; E153-R157 PolarHBondContact OE2-NH2 2.82Å |
| 154 | K | 39.9 | Very low | 35.8 | Very low | 155 Ų | 155 | 106 Ų | 106 | 67% | 0.674 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.6 | -42.6 | 171.5 | -85.3 | -174.4 | 171.2 | -177.6 | 0 | 111.3 | S150 L151 I152 R157 A158 | S150-K154 PolarHBondContact O-N 3.47Å; L151-K154 PolarHBondContact O-N 3.05Å; I152-K154 PolarHBondContact O-N 2.93Å; K154-R157 PolarHBondContact O-N 3.32Å; K154-A158 WeakPolarHBondContact O-CB 3.49Å; K154-A158 PolarHBondContact O-N 3.5Å; K154-A158 VanDerWaalsContact O-N 3.07Å |
| 155 | E | 38.6 | Very low | 35.9 | Very low | 90 Ų | 90 | 105.1 Ų | 105.1 | 42% | 0.421 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.3 | -44.2 | 177.9 | -156.7 | -152.4 | 150.3 | 0 | 0 | 111.9 | L151 I152 A158 R159 | L151-E155 PolarHBondContact O-N 3.2Å; I152-E155 PolarHBondContact O-N 3.33Å; E155-A158 PolarHBondContact O-N 2.95Å; E155-R159 HydrophobicContact CG-CG 4.49Å; E155-R159 WeakPolarHBondContact O-CB 3.35Å; E155-R159 WeakPolarHBondContact O-CG 3.48Å; E155-R159 PolarHBondContact O-N 3Å; E155-R159 WeakPolarHBondContact OE1-CD 3.29Å; E155-R159 IonicContact OE1-CZ 2.72Å; E155-R159 IonicContact OE1-NE 3.59Å; E155-R159 IonicContact OE1-NH1 3.27Å; E155-R159 PolarHBondContact OE1-NH1 3.44Å |
| 156 | W | 34.6 | Very low | 35.9 | Very low | 183 Ų | 183 | 104.5 Ų | 104.5 | 69% | 0.693 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.6 | -39.3 | 177.8 | -94.1 | 82.2 | 0 | 0 | 0 | 113.1 | I152 R159 A160 | I152-W156 WeakPolarHBondContact O-CB 3.33Å; I152-W156 PolarHBondContact O-N 3.33Å; W156-R159 PolarHBondContact O-N 3.35Å; W156-A160 WeakPolarHBondContact O-CB 3.45Å; W156-A160 PolarHBondContact O-N 3.25Å |
| 157 | R | 37.4 | Very low | 35.8 | Very low | 151 Ų | 151 | 107.1 Ų | 107.1 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.5 | -41.8 | 174 | -75.4 | -174.5 | -173.3 | 83.5 | -5.8 | 111.7 | E153 K154 S161 | E153-R157 WeakPolarHBondContact O-CG 3.33Å; E153-R157 PolarHBondContact O-N 3.37Å; E153-R157 PolarHBondContact O-NH1 3.02Å; E153-R157 IonicContact OE2-CZ 2.89Å; E153-R157 VanDerWaalsContact OE2-CZ 3.23Å; E153-R157 IonicContact OE2-NH1 3.23Å; E153-R157 PolarHBondContact OE2-NH1 3.09Å; E153-R157 IonicContact OE2-NH2 3.38Å; E153-R157 PolarHBondContact OE2-NH2 2.82Å; K154-R157 PolarHBondContact O-N 3.32Å; R157-S161 WeakPolarHBondContact O-CB 3.35Å; R157-S161 PolarHBondContact O-N 2.92Å; R157-S161 VanDerWaalsContact O-N 3.09Å |
| 158 | A | 41.7 | Very low | 35.5 | Very low | 58 Ų | 58 | 110.9 Ų | 110.9 | 48% | 0.479 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.3 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K154 E155 S161 V162 | K154-A158 WeakPolarHBondContact O-CB 3.49Å; K154-A158 PolarHBondContact O-N 3.5Å; K154-A158 VanDerWaalsContact O-N 3.07Å; E155-A158 PolarHBondContact O-N 2.95Å; A158-S161 PolarHBondContact O-N 3.4Å; A158-V162 WeakPolarHBondContact O-CG2 3.44Å; A158-V162 PolarHBondContact O-N 2.89Å |
| 159 | R | 34.4 | Very low | 35.6 | Very low | 158 Ų | 158 | 114.2 Ų | 114.2 | 60% | 0.596 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74.8 | -36.6 | -178.3 | -68.5 | 176.4 | 70 | 168.8 | 2.5 | 112.7 | E155 W156 S161 V162 V163 | E155-R159 HydrophobicContact CG-CG 4.49Å; E155-R159 WeakPolarHBondContact O-CB 3.35Å; E155-R159 WeakPolarHBondContact O-CG 3.48Å; E155-R159 PolarHBondContact O-N 3Å; E155-R159 WeakPolarHBondContact OE1-CD 3.29Å; E155-R159 IonicContact OE1-CZ 2.72Å; E155-R159 IonicContact OE1-NE 3.59Å; E155-R159 IonicContact OE1-NH1 3.27Å; E155-R159 PolarHBondContact OE1-NH1 3.44Å; W156-R159 PolarHBondContact O-N 3.35Å; R159-S161 VanDerWaalsContact C-N 3.33Å; R159-S161 PolarHBondContact O-N 3.37Å; R159-V162 PolarHBondContact O-N 3.38Å; R159-V163 WeakPolarHBondContact O-CG2 3.48Å; R159-V163 PolarHBondContact O-N 2.88Å |
| 160 | A | 37.5 | Very low | 35.8 | Very low | 53 Ų | 53 | 117.4 Ų | 117.4 | 44% | 0.438 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.7 | -42 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | W156 V162 V163 N164 | W156-A160 WeakPolarHBondContact O-CB 3.45Å; W156-A160 PolarHBondContact O-N 3.25Å; A160-V162 PolarHBondContact O-N 2.88Å; A160-V163 PolarHBondContact O-N 2.88Å; A160-N164 WeakPolarHBondContact O-CB 3.28Å; A160-N164 PolarHBondContact O-N 2.89Å |
| 161 | S | 35.5 | Very low | 35.3 | Very low | 86 Ų | 86 | 121.1 Ų | 121.1 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -60.4 | -28.3 | 175.6 | -171.3 | 0 | 0 | 0 | 0 | 113.8 | R157 A158 R159 | R157-S161 WeakPolarHBondContact O-CB 3.35Å; R157-S161 PolarHBondContact O-N 2.92Å; R157-S161 VanDerWaalsContact O-N 3.09Å; A158-S161 PolarHBondContact O-N 3.4Å; R159-S161 VanDerWaalsContact C-N 3.33Å; R159-S161 PolarHBondContact O-N 3.37Å |
| 162 | V | 38.3 | Very low | 34.8 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 62% | 0.618 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -90.5 | -27.5 | 179.3 | 173.3 | 0 | 0 | 0 | 0 | 112.4 | A158 R159 A160 N166 | A158-V162 WeakPolarHBondContact O-CG2 3.44Å; A158-V162 PolarHBondContact O-N 2.89Å; R159-V162 PolarHBondContact O-N 3.38Å; A160-V162 PolarHBondContact O-N 2.88Å; V162-N166 PolarHBondContact O-ND2 3.26Å |
| 163 | V | 35.9 | Very low | 34.4 | Very low | 96 Ų | 96 | 124 Ų | 124 | 58% | 0.582 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -78.9 | -32.3 | 176.9 | 171.3 | 0 | 0 | 0 | 0 | 112 | R159 A160 S165 | R159-V163 WeakPolarHBondContact O-CG2 3.48Å; R159-V163 PolarHBondContact O-N 2.88Å; A160-V163 PolarHBondContact O-N 2.88Å; V163-S165 PolarHBondContact O-N 3.42Å |
| 164 | N | 33.1 | Very low | 34 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 22.2 | -174.5 | -150.8 | 59.7 | 0 | 0 | 0 | 115.1 | A160 | A160-N164 WeakPolarHBondContact O-CB 3.28Å; A160-N164 PolarHBondContact O-N 2.89Å |
| 165 | S | 33.6 | Very low | 33.4 | Very low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | 7.3 | 179 | -54.2 | 0 | 0 | 0 | 0 | 114.1 | V163 | V163-S165 PolarHBondContact O-N 3.42Š|
| 166 | N | 31.8 | Very low | 33 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 67% | 0.668 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -127.3 | 10.1 | -167.8 | -73.7 | -60.6 | 0 | 0 | 0 | 115.2 | V162 | V162-N166 PolarHBondContact O-ND2 3.26Š|
| 167 | N | 28.9 | Very low | 33 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | | | trans | -133.9 | 29.7 | -169 | -91 | -33.8 | 0 | 0 | 0 | 115.5 | | |
| 168 | E | 29.7 | Very low | 32.4 | Very low | 198 Ų | 198 | 126.6 Ų | 126.6 | 93% | 0.925 | 70% | 0.702 | S | S | * | * | | | trans | -111.5 | 51.4 | 174.6 | -154.3 | 177.6 | -170 | 0 | 0 | 113 | | |
| 169 | S | 30.9 | Very low | 31.9 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -153.6 | 149.4 | 164.8 | 75.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 170 | V | 33.3 | Very low | 31.7 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 81% | 0.812 | 69% | 0.691 | S | S | * | * | | | trans | 63.8 | 85.5 | 168.5 | -163.7 | 0 | 0 | 0 | 0 | 117 | | |
| 171 | N | 27 | Very low | 31.1 | Very low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | | | trans | -70.1 | 127 | 149 | -70 | -68.6 | 0 | 0 | 0 | 109.8 | | |
| 172 | N | 28.4 | Very low | 30.8 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | | | trans | 168.8 | 161.6 | 137.1 | -89.4 | -40.7 | 0 | 0 | 0 | 113.3 | | |
| 173 | V | 34.5 | Very low | 30.3 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 81% | 0.806 | 72% | 0.716 | S | S | * | * | | | trans | 70.5 | 70.8 | 168.6 | -157.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 174 | K | 28.8 | Very low | 29.9 | Very low | 158 Ų | 158 | 132 Ų | 132 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | | | | 29.5 | 127.7 | 112.8 | -178.5 | 174.3 | 173 | 172.7 | 0 | 120.1 | | |
| 175 | E | 27.6 | Very low | 29.7 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | | | trans | 61.4 | 131 | 161.4 | -73.3 | 162.7 | -169.7 | 0 | 0 | 116.1 | | |
| 176 | H | 31.1 | Very low | 29.5 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | | | cis | -162.3 | 165.4 | 40.3 | -121 | -64.6 | 0 | 0 | 0 | 113.1 | | |
| 177 | A | 32.7 | Very low | 29.4 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | | | trans | 67.1 | 116.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 178 | E | 26.4 | Very low | 29.4 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | | | trans | -71 | 150.2 | 159.1 | -54 | 156.2 | 112.7 | 0 | 0 | 110.5 | I27 | I27-E178 HydrophobicContact CD1-CB 4.11Š|
| 179 | T | 30.9 | Very low | 29.5 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 54% | 0.54 | 71% | 0.708 | S | S | . | * | | | trans | -175.2 | 121.5 | 130.2 | 17 | 0 | 0 | 0 | 0 | 116.7 | T25 V26 I27 | T25-T179 HydrophobicContact CG2-CG2 3.7Å; V26-T179 VanDerWaalsContact O-CG2 3.24Å; V26-T179 WeakPolarHBondContact O-CG2 3.38Å; I27-T179 HydrophobicContact CD1-CG2 4.05Å |
| 180 | T | 29.9 | Very low | 29.4 | Very low | 50 Ų | 50 | 133.1 Ų | 133.1 | 31% | 0.307 | 71% | 0.71 | S | S | . | * | | | trans | 81.3 | 142.9 | 138.5 | -37.2 | 0 | 0 | 0 | 0 | 122.7 | L24 T25 V26 | L24-T180 HydrophobicContact CB-CG2 3.71Å; L24-T180 HydrophobicContact CD2-CG2 3.89Å; L24-T180 HydrophobicContact CG-CG2 3.7Å; T25-T180 WeakPolarHBondContact CA-OG1 3.18Å; V26-T180 HydrophobicContact CB-CG2 4.15Å; V26-T180 HydrophobicContact CG2-CG2 3.74Å; V26-T180 PolarHBondContact N-OG1 2.97Å |
| 181 | L | 25.1 | Very low | 29.1 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 73% | 0.728 | 71% | 0.712 | S | S | * | * | | | trans | -82 | 142.5 | 176.7 | -53.4 | 115.9 | 0 | 0 | 0 | 114.4 | L24 | L24-L181 VanDerWaalsContact CD2-O 3.25Å; L24-L181 WeakPolarHBondContact CD2-O 3.38Å; L24-L181 WeakPolarHBondContact CG-O 3.44Å |
| 182 | T | 29.6 | Very low | 29.1 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | | | trans | -139.2 | 140.2 | 133.5 | 3.5 | 0 | 0 | 0 | 0 | 111.3 | L24 | L24-T182 HydrophobicContact CD1-CG2 3.83Å; L24-T182 WeakPolarHBondContact CD2-OG1 3.35Å |
| 183 | V | 26.3 | Very low | 29 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | | | trans | -95.6 | 117.1 | 158 | 175.1 | 0 | 0 | 0 | 0 | 106 | | |
| 184 | Q | 28.7 | Very low | 28.8 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 71% | 0.71 | 70% | 0.702 | S | S | * | * | | | trans | -118.8 | 126 | 171.1 | -170.4 | 64 | 16.2 | 0 | 0 | 109.5 | | |
| 185 | H | 28.9 | Very low | 28.9 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 63% | 0.63 | 70% | 0.702 | S | S | * | * | | | trans | -94.8 | 114.1 | -174 | -167.8 | -79.8 | 0 | 0 | 0 | 109.8 | | |
| 186 | H | 30.1 | Very low | 29 | Very low | 166 Ų | 166 | 126.2 Ų | 126.2 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | | | trans | -146.4 | 96 | 169.3 | -98.1 | -72.6 | 0 | 0 | 0 | 111.3 | | |
| 187 | T | 29.6 | Very low | 28.9 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 57% | 0.571 | 70% | 0.7 | S | S | * | * | | | trans | -74.1 | 161 | 157.1 | -12.2 | 0 | 0 | 0 | 0 | 110 | | |
| 188 | D | 27.4 | Very low | 29 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | | | trans | 57 | 103.5 | 161.5 | -53.5 | -36.5 | 0 | 0 | 0 | 118.6 | | |
| 189 | L | 31.5 | Very low | 29.2 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 82% | 0.817 | 70% | 0.698 | S | S | * | * | | | trans | -164.5 | 112.9 | 142.1 | -101.5 | 162.5 | 0 | 0 | 0 | 109.8 | | |
| 190 | L | 30.8 | Very low | 29.2 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | | | trans | 48.7 | 113.3 | 151.3 | -47.3 | 176.3 | 0 | 0 | 0 | 117.7 | | |
| 191 | T | 25.7 | Very low | 29.2 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | | | | 46.1 | 79.1 | 55.4 | -44.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 192 | S | 27.3 | Very low | 29.6 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | trans | 159.1 | 144.8 | 131.6 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 193 | T | 27.4 | Very low | 29.6 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | trans | 65.5 | 137.3 | 166.9 | 11.2 | 0 | 0 | 0 | 0 | 114 | | |
| 194 | I | 29.4 | Very low | 29.8 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | | | cis | -138.8 | 134.4 | 14.8 | -58.8 | 170.2 | 0 | 0 | 0 | 105.2 | | |
| 195 | Q | 31.2 | Very low | 29.8 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | | | | -167 | 118.3 | 76.4 | 173.8 | 65.4 | 10.4 | 0 | 0 | 110.1 | N197 | Q195-N197 PolarHBondContact NE2-OD1 3.46Š|
| 196 | G | 30.3 | Very low | 30.2 | Very low | 66 Ų | 66 | 140 Ų | 140 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | | | trans | -110.5 | 117.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I198 | G196-I198 PolarHBondContact O-N 2.87Š|
| 197 | N | 28.7 | Very low | 30 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -83.1 | 99.5 | 175.4 | -77.9 | -2.8 | 0 | 0 | 0 | 111.1 | Q195 | Q195-N197 PolarHBondContact NE2-OD1 3.46Š|
| 198 | I | 33.4 | Very low | 30.1 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | | | trans | -141.5 | 102 | 156.3 | -64.4 | 92 | 0 | 0 | 0 | 110.1 | G196 | G196-I198 PolarHBondContact O-N 2.87Š|
| 199 | D | 31.3 | Very low | 30.1 | Very low | 123 Ų | 123 | 137 Ų | 137 | 66% | 0.658 | 76% | 0.76 | S | S | * | * | | | trans | 169.7 | 140.8 | 145.9 | -104.1 | -21.5 | 0 | 0 | 0 | 108 | | |
| 200 | R | 31.2 | Very low | 30.2 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | cis | -164.4 | 151.4 | -16.4 | -145.5 | 179.2 | -163.5 | 118.8 | -12.9 | 109.2 | | |
| 201 | N | 30.6 | Very low | 30.2 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | 72.9 | 133.3 | 163.3 | -50.4 | -46.1 | 0 | 0 | 0 | 119.6 | | |
| 202 | Q | 33.6 | Very low | 30.2 | Very low | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | trans | 67.1 | 147.9 | 161.6 | -58.9 | 175.4 | 110.9 | 0 | 0 | 119.7 | | |
| 203 | Q | 28.6 | Very low | 30.4 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | | | cis | -173.3 | 153.9 | -39.3 | -169.5 | 160.6 | -47.3 | 0 | 0 | 106.4 | | |
| 204 | F | 31 | Very low | 30.2 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | 68.5 | 103.2 | -175.2 | -51.9 | -78.7 | 0 | 0 | 0 | 112.2 | | |
| 205 | A | 28.6 | Very low | 30.1 | Very low | 93 Ų | 93 | 134.5 Ų | 134.5 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | | 73.6 | 104.8 | 54 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 206 | L | 36 | Very low | 29.7 | Very low | 182 Ų | 182 | 132 Ų | 132 | 95% | 0.953 | 77% | 0.769 | S | S | * | * | | | trans | -151.7 | 147.5 | 136.3 | -107.9 | 169.1 | 0 | 0 | 0 | 108.2 | | |
| 207 | D | 27.2 | Very low | 29.6 | Very low | 158 Ų | 158 | 137 Ų | 137 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -112.1 | 152.1 | -173.4 | -174.2 | 13.2 | 0 | 0 | 0 | 109.7 | | |
| 208 | G | 31.4 | Very low | 29.2 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | 159.2 | 123.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 209 | S | 27 | Very low | 29 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -96.5 | -174.2 | 173.4 | -56.6 | 0 | 0 | 0 | 0 | 111 | | |
| 210 | P | 34.5 | Very low | 28.7 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -91.7 | 174.5 | -138.3 | 40 | -43 | 0 | 0 | 0 | 115.8 | | |
| 211 | P | 30.2 | Very low | 28.5 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -114.2 | 135.3 | 153 | 35.5 | -24.9 | 0 | 0 | 0 | 113.2 | | |
| 212 | L | 24.6 | Very low | 28.4 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | | | trans | -71.4 | 138.9 | 156.9 | -83.2 | 152.9 | 0 | 0 | 0 | 109.5 | | |
| 213 | V | 32 | Very low | 27.9 | Very low | 130 Ų | 130 | 134 Ų | 134 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | | | trans | -133.3 | 111.6 | 165.1 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 214 | I | 23.6 | Very low | 27.9 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | trans | -89.2 | 124.9 | 172 | -63.6 | 171.2 | 0 | 0 | 0 | 107.8 | | |
| 215 | G | 26.8 | Very low | 27.6 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | | | trans | -123.3 | 75.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 216 | A | 22.4 | Very low | 27.4 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -83.8 | 116.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 217 | L | 28 | Very low | 27 | Very low | 172 Ų | 172 | 132 Ų | 132 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | | | trans | -123.7 | 133.9 | 165.8 | -78.2 | 174.1 | 0 | 0 | 0 | 109.5 | | |
| 218 | N | 22.1 | Very low | 27 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | | | trans | -120.8 | 103.4 | -162.3 | -179.7 | 18 | 0 | 0 | 0 | 109.9 | | |
| 219 | T | 28 | Very low | 27 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | | | trans | -140.6 | 87.1 | -176.6 | 56 | 0 | 0 | 0 | 0 | 113.7 | | |
| 220 | S | 25.2 | Very low | 27.1 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | 62.8 | 133.5 | 144.6 | -55 | 0 | 0 | 0 | 0 | 121.1 | | |
| 221 | P | 27.6 | Very low | 26.8 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -84.9 | 157.7 | 176.7 | 35.6 | -35.6 | 0 | 0 | 0 | 113.6 | | |
| 222 | S | 27.5 | Very low | 26.6 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | | | trans | -153.5 | 156.3 | 165.8 | -79.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 223 | Q | 23.8 | Very low | 27 | Very low | 199 Ų | 199 | 129.4 Ų | 129.4 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | | | trans | -92.2 | 129.3 | -155.4 | -60.8 | 166.9 | -16.5 | 0 | 0 | 115.9 | | |
| 224 | S | 28.1 | Very low | 26.9 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | -173.3 | 99.6 | 148.9 | 52.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 225 | L | 24.8 | Very low | 27.6 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | | | | 68.3 | 117.7 | 58.2 | -154.7 | 84.5 | 0 | 0 | 0 | 113.8 | | |
| 226 | L | 25.3 | Very low | 28.2 | Very low | 144 Ų | 144 | 126 Ų | 126 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | | | trans | 91.1 | 115.1 | 171.2 | -52.9 | -177 | 0 | 0 | 0 | 119.1 | | |
| 227 | N | 26.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 123 Ų | 123 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | | | trans | 65.4 | 88.6 | 146.5 | -58.9 | 4.9 | 0 | 0 | 0 | 120.1 | | |
| 228 | E | 27.4 | Very low | 30.4 | Very low | 205 Ų | 205 | 118.6 Ų | 118.6 | 96% | 0.958 | 68% | 0.675 | S | S | * | * | | | trans | -104.2 | 116.5 | 141.9 | -166.9 | 178.8 | 147.2 | 0 | 0 | 108.1 | | |
| 229 | S | 31.3 | Very low | 31.6 | Very low | 99 Ų | 99 | 114 Ų | 114 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | | | trans | -105.7 | 139.2 | -169.7 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 230 | T | 29.2 | Very low | 33 | Very low | 119 Ų | 119 | 114.8 Ų | 114.8 | 73% | 0.73 | 65% | 0.647 | S | S | * | * | | | trans | -60 | 153 | 176.1 | 42.3 | 0 | 0 | 0 | 0 | 113 | V232 | T230-V232 PolarHBondContact O-N 2.76Š|
| 231 | P | 27.8 | Very low | 34.5 | Very low | 93 Ų | 93 | 111 Ų | 111 | 60% | 0.604 | 62% | 0.621 | S | S | * | * | | | trans | -69.1 | 114.1 | -174.5 | 27.1 | -34.7 | 0 | 0 | 0 | 112 | S394 | P231-S394 PolarHBondContact O-OG 3.43Š|
| 232 | V | 26.8 | Very low | 36.2 | Very low | 78 Ų | 78 | 105.5 Ų | 105.5 | 47% | 0.473 | 59% | 0.585 | S | S | . | * | | | trans | -95.8 | 115.7 | -179.6 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | T230 R234 L391 | T230-V232 PolarHBondContact O-N 2.76Å; V232-R234 PolarHBondContact O-N 2.99Å; V232-L391 HydrophobicContact CG1-CB 4.01Å; V232-L391 HydrophobicContact CG1-CD2 3.79Å; V232-L391 HydrophobicContact CG1-CG 3.64Å |
| 233 | T | 32.3 | Very low | 37.6 | Very low | 91 Ų | 91 | 100.5 Ų | 100.5 | 56% | 0.558 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 121.5 | 169.3 | -46.3 | 0 | 0 | 0 | 0 | 110.8 | A235 | T233-A235 PolarHBondContact O-N 3.07Å |
| 234 | R | 30.7 | Very low | 39.3 | Very low | 182 Ų | 182 | 93 Ų | 93 | 69% | 0.687 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 108.7 | 177.5 | -64.2 | -179.8 | 71.2 | 118.5 | -0.4 | 110.7 | V232 | V232-R234 PolarHBondContact O-N 2.99Å |
| 235 | A | 38.1 | Very low | 40.9 | Very low | 29 Ų | 29 | 88.8 Ų | 88.8 | 24% | 0.24 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | T233 V392 | T233-A235 PolarHBondContact O-N 3.07Å; A235-V392 HydrophobicContact CB-CG2 4.02Å |
| 236 | V | 39.3 | Very low | 42.7 | Very low | 82 Ų | 82 | 82 Ų | 82 | 50% | 0.497 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 110.3 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 108 | Y389 | V236-Y389 HydrophobicContact CG2-CD1 4.41Å; V236-Y389 HydrophobicContact CG2-CE1 4.16Å |
| 237 | L | 44.1 | Very low | 44.4 | Very low | 30 Ų | 30 | 81.8 Ų | 81.8 | 16% | 0.157 | 44% | 0.444 | C | S | . | . | | | trans | -104.4 | 115.3 | -177.8 | -65.6 | 177.6 | 0 | 0 | 0 | 111 | L242 | L237-L242 HydrophobicContact CB-CB 4.36Å; L237-L242 HydrophobicContact CD1-CD1 4.35Å |
| 238 | N | 52 | Low | 46 | Very low | 78 Ų | 78 | 78.2 Ų | 78.2 | 42% | 0.417 | 42% | 0.423 | S | S | . | . | | | trans | -52.9 | 143.6 | 161 | 167.6 | -1.9 | 0 | 0 | 0 | 109.7 | Q240 S241 L242 | N238-Q240 PolarHBondContact ND2-OE1 2.95Å; N238-Q240 PolarHBondContact O-N 3.14Å; N238-Q240 PolarHBondContact OD1-N 3.3Å; N238-S241 PolarHBondContact N-OG 3.47Å; N238-S241 PolarHBondContact O-N 3.42Å; N238-S241 PolarHBondContact O-OG 2.88Å; N238-L242 PolarHBondContact O-N 2.86Å |
| 239 | V | 47.9 | Very low | 47.3 | Very low | 65 Ų | 65 | 70.2 Ų | 70.2 | 39% | 0.394 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -40.7 | -40.7 | 171.3 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | A243 F367 L377 | V239-A243 VanDerWaalsContact O-CB 3.25Å; V239-A243 WeakPolarHBondContact O-CB 3.36Å; V239-A243 PolarHBondContact O-N 3.48Å; V239-F367 HydrophobicContact CG1-CE1 4.25Å; V239-F367 HydrophobicContact CG1-CZ 4.28Å; V239-L377 HydrophobicContact CG1-CD1 4.48Å; V239-L377 HydrophobicContact CG2-CD1 3.9Å; V239-L377 HydrophobicContact CG2-CD2 4.36Å |
| 240 | Q | 57.5 | Low | 48.4 | Very low | 143 Ų | 143 | 68.7 Ų | 68.7 | 67% | 0.668 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -70.4 | -40.2 | 179.8 | -66.2 | 162.1 | -28.2 | 0 | 0 | 112.9 | N238 A244 | N238-Q240 PolarHBondContact ND2-OE1 2.95Å; N238-Q240 PolarHBondContact O-N 3.14Å; N238-Q240 PolarHBondContact OD1-N 3.3Å; Q240-A244 WeakPolarHBondContact O-CB 3.22Å; Q240-A244 PolarHBondContact O-N 3.42Å |
| 241 | S | 56.7 | Low | 49.6 | Very low | 31 Ų | 31 | 68.1 Ų | 68.1 | 22% | 0.217 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -76.7 | -32 | 176 | 49 | 0 | 0 | 0 | 0 | 112.3 | N238 A244 F245 | N238-S241 PolarHBondContact N-OG 3.47Å; N238-S241 PolarHBondContact O-N 3.42Å; N238-S241 PolarHBondContact O-OG 2.88Å; S241-A244 PolarHBondContact O-N 2.96Å; S241-F245 WeakPolarHBondContact O-CB 3.33Å; S241-F245 PolarHBondContact O-N 3.3Å |
| 242 | L | 64.2 | Low | 50.4 | Low | 10 Ų | 10 | 69.1 Ų | 69.1 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 168.9 | -178 | 61.2 | 0 | 0 | 0 | 111.3 | L237 N238 A244 F245 I246 F367 L388 L390 | L237-L242 HydrophobicContact CB-CB 4.36Å; L237-L242 HydrophobicContact CD1-CD1 4.35Å; N238-L242 PolarHBondContact O-N 2.86Å; L242-A244 VanDerWaalsContact C-N 3.28Å; L242-A244 PolarHBondContact O-N 3.22Å; L242-F245 PolarHBondContact O-N 2.93Å; L242-I246 HydrophobicContact CD1-CD1 4.07Å; L242-I246 HydrophobicContact CD1-CG1 4.34Å; L242-I246 HydrophobicContact CG-CD1 3.98Å; L242-I246 WeakPolarHBondContact O-CG1 3.33Å; L242-I246 PolarHBondContact O-N 3.22Å; L242-F367 HydrophobicContact CD2-CE2 4.04Å; L242-F367 HydrophobicContact CD2-CZ 4.03Å; L242-F367 HydrophobicContact CG-CZ 4.41Å; L242-L388 HydrophobicContact CD2-CD1 4.23Å; L242-L390 HydrophobicContact CD1-CD2 4.24Å |
| 243 | A | 56 | Low | 50.9 | Low | 20 Ų | 20 | 70 Ų | 70 | 17% | 0.165 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.3 | -25.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | V239 R247 F367 | V239-A243 VanDerWaalsContact O-CB 3.25Å; V239-A243 WeakPolarHBondContact O-CB 3.36Å; V239-A243 PolarHBondContact O-N 3.48Å; A243-R247 PolarHBondContact O-NE 2.99Å; A243-R247 PolarHBondContact O-NH2 3.36Å; A243-F367 HydrophobicContact CB-CD1 4.33Å; A243-F367 HydrophobicContact CB-CE1 3.98Å |
| 244 | A | 59.3 | Low | 51.2 | Low | 42 Ų | 42 | 70 Ų | 70 | 35% | 0.347 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -72.1 | -48.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q240 S241 L242 I246 R247 E248 | Q240-A244 WeakPolarHBondContact O-CB 3.22Å; Q240-A244 PolarHBondContact O-N 3.42Å; S241-A244 PolarHBondContact O-N 2.96Å; L242-A244 VanDerWaalsContact C-N 3.28Å; L242-A244 PolarHBondContact O-N 3.22Å; A244-I246 PolarHBondContact O-N 2.92Å; A244-R247 PolarHBondContact O-N 3.48Å; A244-E248 PolarHBondContact O-N 2.91Å; A244-E248 VanDerWaalsContact O-N 3.09Å |
| 245 | F | 62.7 | Low | 51.6 | Low | 25 Ų | 25 | 67.3 Ų | 67.3 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.2 | -48.5 | 178 | 177.7 | -90.8 | 0 | 0 | 0 | 112.6 | S241 L242 R247 E248 T249 I343 L345 | S241-F245 WeakPolarHBondContact O-CB 3.33Å; S241-F245 PolarHBondContact O-N 3.3Å; L242-F245 PolarHBondContact O-N 2.93Å; F245-R247 VanDerWaalsContact C-N 3.31Å; F245-R247 PolarHBondContact O-N 3.06Å; F245-E248 PolarHBondContact O-N 2.92Å; F245-E248 VanDerWaalsContact O-N 3.11Å; F245-T249 HydrophobicContact CD1-CG2 4.26Å; F245-T249 HydrophobicContact CE1-CG2 3.73Å; F245-T249 HydrophobicContact CE2-CG2 4.25Å; F245-T249 HydrophobicContact CZ-CG2 3.73Å; F245-T249 PolarHBondContact O-N 3.17Å; F245-T249 PolarHBondContact O-OG1 3.17Å; F245-I343 HydrophobicContact CE2-CD1 4.24Å; F245-I343 HydrophobicContact CZ-CD1 3.79Å; F245-I343 HydrophobicContact CZ-CG2 4.23Å; F245-L345 HydrophobicContact CE1-CD1 4.13Å; F245-L345 HydrophobicContact CE1-CD2 4.48Å |
| 246 | I | 61.6 | Low | 51.4 | Low | 17 Ų | 17 | 70 Ų | 70 | 9% | 0.087 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 179.5 | -67 | 167.8 | 0 | 0 | 0 | 111.9 | L242 A244 E248 T249 Q250 F367 | L242-I246 HydrophobicContact CD1-CD1 4.07Å; L242-I246 HydrophobicContact CD1-CG1 4.34Å; L242-I246 HydrophobicContact CG-CD1 3.98Å; L242-I246 WeakPolarHBondContact O-CG1 3.33Å; L242-I246 PolarHBondContact O-N 3.22Å; A244-I246 PolarHBondContact O-N 2.92Å; I246-E248 VanDerWaalsContact C-N 3.35Å; I246-T249 PolarHBondContact O-OG1 2.87Å; I246-T249 VanDerWaalsContact O-OG1 3.09Å; I246-Q250 HydrophobicContact CG2-CG 4.46Å; I246-Q250 WeakPolarHBondContact O-CB 3.19Å; I246-Q250 VanDerWaalsContact O-CG 3.27Å; I246-Q250 WeakPolarHBondContact O-CG 3.27Å; I246-Q250 PolarHBondContact O-N 2.74Å; I246-F367 HydrophobicContact CD1-CD2 4.3Å |
| 247 | R | 60.7 | Low | 50.9 | Low | 138 Ų | 138 | 70.9 Ų | 70.9 | 52% | 0.521 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.6 | -31.5 | 176.1 | -80.2 | 176.5 | -70.4 | -170.6 | 0.4 | 112.6 | A243 A244 F245 K251 | A243-R247 PolarHBondContact O-NE 2.99Å; A243-R247 PolarHBondContact O-NH2 3.36Å; A244-R247 PolarHBondContact O-N 3.48Å; F245-R247 VanDerWaalsContact C-N 3.31Å; F245-R247 PolarHBondContact O-N 3.06Å; R247-K251 PolarHBondContact O-N 2.78Å; R247-K251 VanDerWaalsContact O-N 3.13Å |
| 248 | E | 60.1 | Low | 50.2 | Low | 66 Ų | 66 | 74.5 Ų | 74.5 | 31% | 0.308 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -76.9 | -37.1 | 176.1 | -155.2 | 59.4 | -141.6 | 0 | 0 | 111.7 | A244 F245 I246 K251 Q252 | A244-E248 PolarHBondContact O-N 2.91Å; A244-E248 VanDerWaalsContact O-N 3.09Å; F245-E248 PolarHBondContact O-N 2.92Å; F245-E248 VanDerWaalsContact O-N 3.11Å; I246-E248 VanDerWaalsContact C-N 3.35Å; E248-K251 WeakPolarHBondContact O-CB 3.43Å; E248-K251 PolarHBondContact O-N 3.07Å; E248-K251 WeakPolarHBondContact OE1-CD 3.23Å; E248-K251 IonicContact OE1-NZ 3.29Å; E248-K251 PolarHBondContact OE1-NZ 2.92Å; E248-K251 WeakPolarHBondContact OE2-CD 3.37Å; E248-K251 IonicContact OE2-NZ 2.63Å; E248-K251 PolarHBondContact OE2-NZ 3.33Å; E248-Q252 WeakPolarHBondContact O-CG 3.43Å; E248-Q252 PolarHBondContact O-N 3Å; E248-Q252 VanDerWaalsContact O-N 3.15Å |
| 249 | T | 56.1 | Low | 49 | Very low | 37 Ų | 37 | 76.9 Ų | 76.9 | 23% | 0.227 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67 | -40 | 172.4 | 57 | 0 | 0 | 0 | 0 | 112.3 | F245 I246 K251 Q252 C253 I343 | F245-T249 HydrophobicContact CD1-CG2 4.26Å; F245-T249 HydrophobicContact CE1-CG2 3.73Å; F245-T249 HydrophobicContact CE2-CG2 4.25Å; F245-T249 HydrophobicContact CZ-CG2 3.73Å; F245-T249 PolarHBondContact O-N 3.17Å; F245-T249 PolarHBondContact O-OG1 3.17Å; I246-T249 PolarHBondContact O-OG1 2.87Å; I246-T249 VanDerWaalsContact O-OG1 3.09Å; T249-K251 VanDerWaalsContact C-N 3.33Å; T249-K251 PolarHBondContact O-N 3.36Å; T249-Q252 PolarHBondContact O-N 3.29Å; T249-C253 PolarHBondContact O-N 2.82Å; T249-C253 VanDerWaalsContact O-N 3.14Å; T249-C253 PolarHBondContact O-SG 3.15Å; T249-I343 HydrophobicContact CG2-CD1 4.2Å |
| 250 | Q | 53.1 | Low | 48.3 | Very low | 66 Ų | 66 | 80.6 Ų | 80.6 | 31% | 0.308 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 174 | -75.5 | 176 | -15.1 | 0 | 0 | 112.8 | I246 S254 V362 | I246-Q250 HydrophobicContact CG2-CG 4.46Å; I246-Q250 WeakPolarHBondContact O-CB 3.19Å; I246-Q250 VanDerWaalsContact O-CG 3.27Å; I246-Q250 WeakPolarHBondContact O-CG 3.27Å; I246-Q250 PolarHBondContact O-N 2.74Å; Q250-S254 WeakPolarHBondContact O-CB 3.26Å; Q250-S254 PolarHBondContact O-N 3.49Å; Q250-S254 VanDerWaalsContact O-N 3.1Å; Q250-S254 PolarHBondContact O-OG 2.91Å; Q250-V362 PolarHBondContact NE2-O 3.38Å; Q250-V362 VanDerWaalsContact NE2-O 3.09Å |
| 251 | K | 55.5 | Low | 46.9 | Very low | 108 Ų | 108 | 79.4 Ų | 79.4 | 47% | 0.47 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.4 | -49.5 | 169.6 | -101.4 | 177.4 | 173.8 | -179.8 | 0 | 112.7 | R247 E248 T249 C253 S254 I255 | R247-K251 PolarHBondContact O-N 2.78Å; R247-K251 VanDerWaalsContact O-N 3.13Å; E248-K251 WeakPolarHBondContact O-CB 3.43Å; E248-K251 PolarHBondContact O-N 3.07Å; E248-K251 WeakPolarHBondContact OE1-CD 3.23Å; E248-K251 IonicContact OE1-NZ 3.29Å; E248-K251 PolarHBondContact OE1-NZ 2.92Å; E248-K251 WeakPolarHBondContact OE2-CD 3.37Å; E248-K251 IonicContact OE2-NZ 2.63Å; E248-K251 PolarHBondContact OE2-NZ 3.33Å; T249-K251 VanDerWaalsContact C-N 3.33Å; T249-K251 PolarHBondContact O-N 3.36Å; K251-C253 VanDerWaalsContact C-N 3.29Å; K251-C253 PolarHBondContact O-N 2.83Å; K251-S254 WeakPolarHBondContact O-CA 3.49Å; K251-S254 WeakPolarHBondContact O-CB 3.43Å; K251-S254 PolarHBondContact O-N 3.42Å; K251-I255 WeakPolarHBondContact O-CG1 3.43Å; K251-I255 PolarHBondContact O-N 3.06Å; K251-I255 VanDerWaalsContact O-N 3.1Å |
| 252 | Q | 43.3 | Very low | 45.7 | Very low | 113 Ų | 113 | 86.2 Ų | 86.2 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | -178.7 | -64 | -68.3 | -7.5 | 0 | 0 | 111.1 | E248 T249 S254 I255 S256 | E248-Q252 WeakPolarHBondContact O-CG 3.43Å; E248-Q252 PolarHBondContact O-N 3Å; E248-Q252 VanDerWaalsContact O-N 3.15Å; T249-Q252 PolarHBondContact O-N 3.29Å; Q252-S254 VanDerWaalsContact C-N 3.27Å; Q252-S254 PolarHBondContact O-N 3.47Å; Q252-I255 PolarHBondContact O-N 2.88Å; Q252-S256 PolarHBondContact O-OG 3.11Å |
| 253 | C | 37.2 | Very low | 44.3 | Very low | 97 Ų | 97 | 93.1 Ų | 93.1 | 66% | 0.655 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -32.9 | 173.1 | -65.2 | 0 | 0 | 0 | 0 | 113.1 | T249 K251 | T249-C253 PolarHBondContact O-N 2.82Å; T249-C253 VanDerWaalsContact O-N 3.14Å; T249-C253 PolarHBondContact O-SG 3.15Å; K251-C253 VanDerWaalsContact C-N 3.29Å; K251-C253 PolarHBondContact O-N 2.83Å |
| 254 | S | 39.4 | Very low | 43 | Very low | 90 Ų | 90 | 98.4 Ų | 98.4 | 63% | 0.629 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -80.8 | -18.3 | -177.3 | -56.8 | 0 | 0 | 0 | 0 | 114.4 | Q250 K251 Q252 | Q250-S254 WeakPolarHBondContact O-CB 3.26Å; Q250-S254 PolarHBondContact O-N 3.49Å; Q250-S254 VanDerWaalsContact O-N 3.1Å; Q250-S254 PolarHBondContact O-OG 2.91Å; K251-S254 WeakPolarHBondContact O-CA 3.49Å; K251-S254 WeakPolarHBondContact O-CB 3.43Å; K251-S254 PolarHBondContact O-N 3.42Å; Q252-S254 VanDerWaalsContact C-N 3.27Å; Q252-S254 PolarHBondContact O-N 3.47Å |
| 255 | I | 38.5 | Very low | 41.8 | Very low | 127 Ų | 127 | 102.4 Ų | 102.4 | 65% | 0.651 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -90.1 | -15.1 | 179.8 | -69.2 | 166.1 | 0 | 0 | 0 | 111.8 | K251 Q252 S257 | K251-I255 WeakPolarHBondContact O-CG1 3.43Å; K251-I255 PolarHBondContact O-N 3.06Å; K251-I255 VanDerWaalsContact O-N 3.1Å; Q252-I255 PolarHBondContact O-N 2.88Å; I255-S257 PolarHBondContact O-N 2.9Å |
| 256 | S | 34.2 | Very low | 40.2 | Very low | 86 Ų | 86 | 108.7 Ų | 108.7 | 60% | 0.601 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -91.5 | 29.8 | -167 | -57.3 | 0 | 0 | 0 | 0 | 115 | Q252 | Q252-S256 PolarHBondContact O-OG 3.11Š|
| 257 | S | 28.3 | Very low | 38.8 | Very low | 100 Ų | 100 | 114.7 Ų | 114.7 | 70% | 0.699 | 65% | 0.647 | S | S | * | * | | | trans | -143.6 | 78.1 | -172.6 | 51.2 | 0 | 0 | 0 | 0 | 116.9 | I255 | I255-S257 PolarHBondContact O-N 2.9Š|
| 258 | P | 29.1 | Very low | 37.4 | Very low | 105 Ų | 105 | 113.1 Ų | 113.1 | 68% | 0.682 | 66% | 0.658 | S | S | * | * | | | trans | -121.5 | 156.3 | 156.3 | 38.1 | -28.2 | 0 | 0 | 0 | 114 | | |
| 259 | T | 28.6 | Very low | 36.1 | Very low | 128 Ų | 128 | 116.5 Ų | 116.5 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | | | trans | 63.9 | 100.3 | 164.3 | 59.6 | 0 | 0 | 0 | 0 | 120 | | |
| 260 | T | 33.3 | Very low | 34.7 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 88% | 0.883 | 71% | 0.71 | S | S | * | * | | | | -136.3 | 142.4 | 126.5 | 44.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 261 | S | 26.1 | Very low | 33.9 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | trans | -134.9 | 124.6 | -179.2 | -57.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 262 | I | 33 | Very low | 32.6 | Very low | 175 Ų | 175 | 128.4 Ų | 128.4 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | | | trans | -138.8 | 148 | 175.9 | -62.6 | -175.7 | 0 | 0 | 0 | 108.2 | | |
| 263 | E | 34.1 | Very low | 32.3 | Very low | 154 Ų | 154 | 132 Ų | 132 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -87.8 | 146.8 | -160.1 | -73 | -178.3 | 91 | 0 | 0 | 117.2 | | |
| 264 | L | 29.5 | Very low | 32.1 | Very low | 131 Ų | 131 | 133 Ų | 133 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | | | trans | 65.6 | 165.9 | 136.8 | -70.7 | 172 | 0 | 0 | 0 | 119.5 | | |
| 265 | P | 34.2 | Very low | 31.6 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | cis | -117.8 | 165.3 | 3.8 | 40.5 | -28.2 | 0 | 0 | 0 | 116.8 | | |
| 266 | L | 29 | Very low | 31.5 | Very low | 157 Ų | 157 | 138 Ų | 138 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -93.2 | 123.3 | -178.5 | -71.5 | 165.7 | 0 | 0 | 0 | 113.8 | | |
| 267 | T | 31.5 | Very low | 31.3 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -148.1 | 147.2 | 140.8 | 57.2 | 0 | 0 | 0 | 0 | 105.8 | | |
| 268 | S | 30.8 | Very low | 31.6 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | cis | -160.1 | 132.4 | 33.6 | 164.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 269 | V | 33.7 | Very low | 31.8 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | 42.1 | 126.7 | 143.1 | -159.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 270 | F | 27.3 | Very low | 32.1 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 82% | 0.82 | 80% | 0.801 | S | S | * | * | | | trans | -42.7 | 172 | 158.9 | -85.7 | -81.7 | 0 | 0 | 0 | 116.7 | | |
| 271 | P | 34.6 | Very low | 32.1 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | cis | -143.4 | 173.1 | 34.4 | 42.1 | -21.3 | 0 | 0 | 0 | 120.2 | | |
| 272 | L | 28.7 | Very low | 32.3 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -75.5 | 151.2 | 170.6 | -171.4 | 74.5 | 0 | 0 | 0 | 111.7 | | |
| 273 | Q | 36.4 | Very low | 32.5 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | -132.5 | 162.7 | 162 | -98.1 | -170.3 | -13.8 | 0 | 0 | 112.3 | | |
| 274 | T | 32.9 | Very low | 32.3 | Very low | 117 Ų | 117 | 138 Ų | 138 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | | | trans | -121.2 | 152.7 | -150 | 44.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 275 | E | 30 | Very low | 32.5 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | 44.1 | 131 | 150.8 | -63.9 | -157.8 | 129.5 | 0 | 0 | 121.5 | | |
| 276 | T | 35.4 | Very low | 32.5 | Very low | 152 Ų | 152 | 143 Ų | 143 | 93% | 0.933 | 78% | 0.781 | S | S | * | * | | | trans | -144.5 | 151.1 | 134.8 | -41.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 277 | K | 31.5 | Very low | 32.7 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | | | trans | -143.2 | 122.5 | -158.8 | 165.6 | -169.7 | 171.2 | -175.8 | 0 | 112.1 | | |
| 278 | L | 34.8 | Very low | 32.9 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | | | trans | -150.5 | 145.9 | 165.6 | -66.8 | 175.5 | 0 | 0 | 0 | 108.6 | | |
| 279 | T | 31.8 | Very low | 32.9 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 60% | 0.595 | 77% | 0.774 | S | S | * | * | | | cis | 166.7 | 150.1 | -43.7 | 34.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 280 | S | 35.3 | Very low | 33.1 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | 81.5 | 145.8 | 173.4 | 84.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 281 | S | 32.7 | Very low | 33.4 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | cis | -169.1 | 150.1 | -19.3 | -101.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 282 | C | 32.2 | Very low | 33.5 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | | | trans | 65.6 | 153.9 | 160.9 | -64.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 283 | N | 35.4 | Very low | 33.9 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | cis | -167.9 | 161.8 | -7.3 | -105.5 | -8.2 | 0 | 0 | 0 | 108.1 | | |
| 284 | V | 30.6 | Very low | 33.8 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | cis | -171.2 | -177.5 | -26.8 | 90.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 285 | R | 34.8 | Very low | 34.1 | Very low | 218 Ų | 218 | 136.5 Ų | 136.5 | 82% | 0.823 | 76% | 0.758 | S | S | * | * | | | trans | 77.1 | 142 | 176.8 | -74.3 | -168.3 | 168.9 | 165.1 | -0.8 | 117 | | |
| 286 | Q | 33.4 | Very low | 34.3 | Very low | 143 Ų | 143 | 133 Ų | 133 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | | | cis | -169.1 | 118.2 | -11.8 | 177.9 | 171.4 | -54.9 | 0 | 0 | 113.2 | | |
| 287 | V | 32.6 | Very low | 34.4 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | | | trans | 67 | 142.3 | 145 | 176.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 288 | S | 35.3 | Very low | 34.7 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | | | cis | -152 | 165.4 | 7.8 | 26.1 | 0 | 0 | 0 | 0 | 114 | | |
| 289 | S | 32.2 | Very low | 34.9 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | trans | -72.5 | -161.8 | 166.5 | -22.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 290 | P | 38.4 | Very low | 35.3 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | | | cis | -132.2 | 150.8 | 8.7 | 40.3 | -20.6 | 0 | 0 | 0 | 116.5 | | |
| 291 | S | 32.7 | Very low | 35.3 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | | 89.7 | 172.3 | 77.8 | -47.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 292 | Y | 36.4 | Very low | 35.3 | Very low | 207 Ų | 207 | 128.7 Ų | 128.7 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | | | trans | 79.2 | 138.8 | -176.6 | -45.4 | -68.6 | 0 | 0 | 0 | 116.1 | | |
| 293 | L | 37.1 | Very low | 35.6 | Very low | 159 Ų | 159 | 131 Ų | 131 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | cis | -156 | 164.7 | -8.2 | -116.5 | 169.6 | 0 | 0 | 0 | 111.6 | | |
| 294 | L | 34.8 | Very low | 35.9 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | | | trans | -125.8 | 143.7 | 175.7 | -166.3 | 93.5 | 0 | 0 | 0 | 109.4 | | |
| 295 | P | 39.5 | Very low | 36.1 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | | | | -155.1 | -170.4 | 111.1 | 35.2 | -14.8 | 0 | 0 | 0 | 114.1 | | |
| 296 | S | 34 | Very low | 36.3 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | | -179.7 | 148 | -60.9 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 297 | A | 37.9 | Very low | 36.7 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | | | trans | 70.9 | 162.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 298 | S | 36.5 | Very low | 37 | Very low | 99 Ų | 99 | 127 Ų | 127 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | | | cis | -157.3 | 139 | 7.4 | -23.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 299 | T | 40 | Very low | 37.4 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | | | | 44.4 | 167.4 | 129.6 | 62.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 300 | P | 40.4 | Very low | 37.6 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | | | cis | -146.6 | 159.8 | -45.8 | 42.4 | -24.6 | 0 | 0 | 0 | 118 | | |
| 301 | S | 34.5 | Very low | 37.4 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | 51.2 | 166.4 | 133.6 | -56 | 0 | 0 | 0 | 0 | 127.3 | | |
| 302 | F | 33.4 | Very low | 37.4 | Very low | 180 Ų | 180 | 135 Ų | 135 | 79% | 0.789 | 77% | 0.768 | S | S | * | * | | | trans | 80.7 | 140.7 | 164.6 | -52 | -92.7 | 0 | 0 | 0 | 118.7 | | |
| 303 | L | 38.1 | Very low | 37.3 | Very low | 155 Ų | 155 | 130 Ų | 130 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | cis | -160.1 | 171.3 | -21.6 | -102.7 | -175.9 | 0 | 0 | 0 | 109.8 | | |
| 304 | P | 41.5 | Very low | 36.9 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | | | trans | -112.7 | 179.3 | -165.3 | 43.6 | -37.9 | 0 | 0 | 0 | 116.5 | | |
| 305 | M | 34.6 | Very low | 36.8 | Very low | 184 Ų | 184 | 127.9 Ų | 127.9 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | | | trans | -153.7 | 156.8 | 150.8 | -89.6 | -52.9 | 151.6 | 0 | 0 | 113.4 | | |
| 306 | T | 39.5 | Very low | 36.2 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | | | trans | -135.5 | 155.1 | 172 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 307 | P | 41.5 | Very low | 36.3 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | | | | -140.5 | 147.1 | 115.4 | 15.8 | 7 | 0 | 0 | 0 | 112.6 | | |
| 308 | V | 39 | Very low | 35.8 | Very low | 135 Ų | 135 | 137 Ų | 137 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | | 101.4 | 137.7 | 50.3 | 165.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 309 | P | 44 | Very low | 35.6 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -122.9 | -170 | -159.8 | 44.5 | -30.5 | 0 | 0 | 0 | 115.1 | | |
| 310 | Q | 36.5 | Very low | 35 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | | | trans | -167 | 133.9 | 161.1 | -112.1 | 170.5 | 22.8 | 0 | 0 | 117 | | |
| 311 | N | 33.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | 46 | 159 | 138.2 | -69.7 | -27 | 0 | 0 | 0 | 122.9 | | |
| 312 | L | 32.7 | Very low | 34.2 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | cis | -154.4 | 162.6 | 5.4 | -157.7 | 62.2 | 0 | 0 | 0 | 111.2 | | |
| 313 | P | 34.5 | Very low | 33.9 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | | | trans | -126.9 | 178.7 | -177.6 | 40.2 | -26.6 | 0 | 0 | 0 | 118.1 | | |
| 314 | T | 29 | Very low | 33.3 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | | | trans | 95.9 | 135.6 | 153.2 | -29.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 315 | V | 32.2 | Very low | 32.5 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | | 164.4 | 155.5 | 127.1 | 159.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 316 | L | 27.9 | Very low | 32.1 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | -61.6 | 154 | -173 | -71.1 | 64 | 0 | 0 | 0 | 116.9 | | |
| 317 | E | 34.5 | Very low | 31.5 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | | -164.4 | 168.2 | 106.4 | -109.8 | -72.1 | 52.8 | 0 | 0 | 112.6 | | |
| 318 | Q | 27.7 | Very low | 30.9 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | trans | -113.9 | -156.3 | -168 | -143 | -167.4 | 2 | 0 | 0 | 113.5 | | |
| 319 | P | 32.5 | Very low | 30.4 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 61% | 0.61 | 76% | 0.755 | S | S | * | * | | | trans | -110.2 | 166.6 | -131.3 | 37.9 | -22.2 | 0 | 0 | 0 | 115.8 | | |
| 320 | L | 28.7 | Very low | 29.7 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | | 168.5 | 160.8 | 118.4 | -90.5 | 169.3 | 0 | 0 | 0 | 114.6 | | |
| 321 | H | 30.6 | Very low | 29.4 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | | | trans | 59.1 | 97.3 | 157.3 | -61 | -47.8 | 0 | 0 | 0 | 122 | | |
| 322 | S | 27.3 | Very low | 29.4 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | | 75.2 | 143.1 | 115.1 | -56 | 0 | 0 | 0 | 0 | 122.8 | | |
| 323 | E | 26.9 | Very low | 29.5 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | 85.3 | 78.2 | 150.6 | -147.4 | 161.6 | 149.4 | 0 | 0 | 120.7 | | |
| 324 | S | 24.2 | Very low | 29.4 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | | 98.8 | 149.9 | 120.6 | -152.2 | 0 | 0 | 0 | 0 | 121 | | |
| 325 | V | 25.8 | Very low | 29.7 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | 71.2 | 135.3 | 167.6 | -156.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 326 | A | 26 | Very low | 29.6 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | | | trans | 85.9 | 100.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 327 | V | 27.3 | Very low | 29.8 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | | 80.9 | 143 | 119.8 | 172.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 328 | N | 28.2 | Very low | 29.4 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | | | trans | 65.3 | 106.4 | 173.4 | -70.2 | -8.4 | 0 | 0 | 0 | 117.2 | | |
| 329 | H | 28.9 | Very low | 29.3 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | | 82.5 | 104.1 | 64.3 | -69.9 | 7 | 0 | 0 | 0 | 113.1 | | |
| 330 | N | 27.9 | Very low | 29 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | | | trans | -179.1 | 90.8 | 136.5 | -92.9 | -24.2 | 0 | 0 | 0 | 109.3 | | |
| 331 | T | 31.6 | Very low | 28.8 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 121.2 | 174.8 | -55.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 332 | H | 33.6 | Very low | 28.6 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 139.6 | 178.7 | -168.8 | -73.1 | 0 | 0 | 0 | 111.2 | | |
| 333 | P | 33.9 | Very low | 29 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 136.3 | 174.8 | 29.1 | -34.2 | 0 | 0 | 0 | 111.1 | | |
| 334 | S | 31.8 | Very low | 29.4 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 147.5 | 171.7 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 335 | P | 35.3 | Very low | 30 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 156.7 | 174.5 | 29.6 | -35.4 | 0 | 0 | 0 | 111.6 | I337 | P335-I337 PolarHBondContact O-N 3.08Š|
| 336 | P | 31 | Very low | 30.8 | Very low | 118 Ų | 118 | 121.1 Ų | 121.1 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 127.8 | -178.2 | 27.5 | -34.5 | 0 | 0 | 0 | 111.5 | Q338 | P336-Q338 PolarHBondContact O-N 3.17Å; P336-Q338 VanDerWaalsContact O-N 3.17Å |
| 337 | I | 31.3 | Very low | 31.4 | Very low | 164 Ų | 164 | 118.6 Ų | 118.6 | 84% | 0.841 | 67% | 0.671 | S | S | * | * | | | trans | -71.7 | 107.8 | 171.8 | -60.7 | 173.2 | 0 | 0 | 0 | 107.8 | P335 | P335-I337 PolarHBondContact O-N 3.08Š|
| 338 | Q | 27.2 | Very low | 32 | Very low | 161 Ų | 161 | 113.5 Ų | 113.5 | 75% | 0.752 | 64% | 0.642 | S | S | * | * | | | trans | -72.3 | 131.7 | 167.6 | -69.1 | -176.8 | -14 | 0 | 0 | 109.5 | P336 T340 | P336-Q338 PolarHBondContact O-N 3.17Å; P336-Q338 VanDerWaalsContact O-N 3.17Å; Q338-T340 VanDerWaalsContact C-N 3.3Å; Q338-T340 PolarHBondContact O-N 3.38Å |
| 339 | S | 25 | Very low | 32.4 | Very low | 123 Ų | 123 | 114.4 Ų | 114.4 | 86% | 0.86 | 66% | 0.655 | S | S | * | * | | | trans | -75 | 77 | -179.3 | -60.6 | 0 | 0 | 0 | 0 | 112 | A341 | S339-A341 PolarHBondContact O-N 2.78Å; S339-A341 VanDerWaalsContact O-N 3.09Å |
| 340 | T | 25.7 | Very low | 33 | Very low | 96 Ų | 96 | 110.3 Ų | 110.3 | 59% | 0.589 | 66% | 0.658 | S | S | * | * | | | trans | -62 | 109.6 | 170.7 | -55 | 0 | 0 | 0 | 0 | 109.7 | Q338 F342 | Q338-T340 VanDerWaalsContact C-N 3.3Å; Q338-T340 PolarHBondContact O-N 3.38Å; T340-F342 HydrophobicContact CG2-CE2 4.48Å; T340-F342 VanDerWaalsContact O-CD2 3.29Å; T340-F342 WeakPolarHBondContact O-CD2 3.22Å; T340-F342 PolarHBondContact O-N 2.9Å |
| 341 | A | 24.8 | Very low | 33.7 | Very low | 81 Ų | 81 | 104.2 Ų | 104.2 | 67% | 0.669 | 63% | 0.629 | S | S | * | * | | | trans | -72.2 | 90.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S339 I343 | S339-A341 PolarHBondContact O-N 2.78Å; S339-A341 VanDerWaalsContact O-N 3.09Å; A341-I343 PolarHBondContact O-N 2.92Å; A341-I343 VanDerWaalsContact O-N 3.07Å |
| 342 | F | 27.5 | Very low | 34.5 | Very low | 185 Ų | 185 | 105.3 Ų | 105.3 | 81% | 0.811 | 63% | 0.628 | S | S | * | * | | | trans | -65 | 105.3 | 172.2 | -72.2 | -84.5 | 0 | 0 | 0 | 110.5 | T340 S344 | T340-F342 HydrophobicContact CG2-CE2 4.48Å; T340-F342 VanDerWaalsContact O-CD2 3.29Å; T340-F342 WeakPolarHBondContact O-CD2 3.22Å; T340-F342 PolarHBondContact O-N 2.9Å; F342-S344 PolarHBondContact O-N 3.47Å |
| 343 | I | 34.3 | Very low | 35.5 | Very low | 74 Ų | 74 | 99 Ų | 99 | 38% | 0.379 | 60% | 0.6 | S | S | . | * | | | trans | -72.5 | 95.2 | 172.9 | -52.6 | 176.9 | 0 | 0 | 0 | 108.5 | F245 T249 A341 L345 | F245-I343 HydrophobicContact CE2-CD1 4.24Å; F245-I343 HydrophobicContact CZ-CD1 3.79Å; F245-I343 HydrophobicContact CZ-CG2 4.23Å; T249-I343 HydrophobicContact CG2-CD1 4.2Å; A341-I343 PolarHBondContact O-N 2.92Å; A341-I343 VanDerWaalsContact O-N 3.07Å; I343-L345 HydrophobicContact CG2-CD2 3.87Å; I343-L345 HydrophobicContact CG2-CG 4.35Å; I343-L345 PolarHBondContact O-N 2.95Å |
| 344 | S | 35.3 | Very low | 36.8 | Very low | 85 Ų | 85 | 96 Ų | 96 | 59% | 0.594 | 58% | 0.582 | S | S | * | * | | | trans | -72 | 96.5 | 177.4 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | F342 Q346 | F342-S344 PolarHBondContact O-N 3.47Å; S344-Q346 PolarHBondContact O-N 2.91Å |
| 345 | L | 37.8 | Very low | 37.9 | Very low | 33 Ų | 33 | 95.1 Ų | 95.1 | 17% | 0.173 | 57% | 0.573 | C | S | . | * | | | trans | -83.5 | 89.2 | 175.9 | -62.6 | 179.5 | 0 | 0 | 0 | 110.1 | F245 I343 P347 L358 L390 | F245-L345 HydrophobicContact CE1-CD1 4.13Å; F245-L345 HydrophobicContact CE1-CD2 4.48Å; I343-L345 HydrophobicContact CG2-CD2 3.87Å; I343-L345 HydrophobicContact CG2-CG 4.35Å; I343-L345 PolarHBondContact O-N 2.95Å; L345-P347 WeakPolarHBondContact O-CD 3.35Å; L345-L358 HydrophobicContact CB-CD2 3.86Å; L345-L358 VanDerWaalsContact O-CD2 3.3Å; L345-L358 WeakPolarHBondContact O-CD2 3.5Å; L345-L390 HydrophobicContact CB-CD2 4.3Å; L345-L390 HydrophobicContact CD1-CD2 3.97Å; L345-L390 HydrophobicContact CD2-CD2 4.03Å; L345-L390 HydrophobicContact CG-CD2 4.33Å |
| 346 | Q | 42.6 | Very low | 39.3 | Very low | 127 Ų | 127 | 93.7 Ų | 93.7 | 59% | 0.593 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 127.8 | 170.2 | -76.1 | -169.6 | -28 | 0 | 0 | 111.2 | S344 | S344-Q346 PolarHBondContact O-N 2.91Š|
| 347 | P | 38.9 | Very low | 40.7 | Very low | 28 Ų | 28 | 91.8 Ų | 91.8 | 18% | 0.182 | 55% | 0.549 | C | S | . | . | B | Isolated β-bridge | trans | -61 | 134.2 | 164.4 | -18 | 30.5 | 0 | 0 | 0 | 110.1 | L345 I353 P355 L358 | L345-P347 WeakPolarHBondContact O-CD 3.35Å; P347-I353 HydrophobicContact CB-CG2 4.44Å; P347-I353 HydrophobicContact CG-CG2 4.4Å; P347-P355 HydrophobicContact CG-CG 4.31Å; P347-L358 HydrophobicContact CG-CD2 4.26Å |
| 348 | A | 39.3 | Very low | 42.2 | Very low | 19 Ų | 19 | 85.4 Ų | 85.4 | 16% | 0.157 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 147.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | G350 S351 L391 | A348-G350 PolarHBondContact O-N 3.27Å; A348-S351 VanDerWaalsContact O-CB 3.28Å; A348-S351 WeakPolarHBondContact O-CB 3.46Å; A348-S351 PolarHBondContact O-N 3.07Å; A348-L391 HydrophobicContact CB-CD1 4.25Å |
| 349 | P | 36.8 | Very low | 43.9 | Very low | 141 Ų | 141 | 84.5 Ų | 84.5 | 92% | 0.916 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 125.2 | 173.7 | -26.4 | 35 | 0 | 0 | 0 | 111.5 | | |
| 350 | G | 40.5 | Very low | 45.8 | Very low | 81 Ų | 81 | 85 Ų | 85 | 84% | 0.835 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.4 | -3.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A348 | A348-G350 PolarHBondContact O-N 3.27Š|
| 351 | S | 43.4 | Very low | 47.4 | Very low | 43 Ų | 43 | 82.3 Ų | 82.3 | 30% | 0.301 | 48% | 0.483 | S | S | . | . | | | trans | -70.9 | 139.2 | 166.8 | -165.3 | 0 | 0 | 0 | 0 | 111.2 | A348 I353 | A348-S351 VanDerWaalsContact O-CB 3.28Å; A348-S351 WeakPolarHBondContact O-CB 3.46Å; A348-S351 PolarHBondContact O-N 3.07Å; S351-I353 VanDerWaalsContact C-N 3.32Å |
| 352 | L | 49.2 | Very low | 48.9 | Very low | 165 Ų | 165 | 80.3 Ų | 80.3 | 86% | 0.864 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -85.4 | 0.4 | -178.7 | -69 | 175.7 | 0 | 0 | 0 | 114.2 | | |
| 353 | I | 54.3 | Low | 50.3 | Low | 32 Ų | 32 | 75.7 Ų | 75.7 | 16% | 0.164 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -102.6 | 129.9 | 179.1 | -157.5 | 161.7 | 0 | 0 | 0 | 109.4 | P347 S351 D357 L361 L376 | P347-I353 HydrophobicContact CB-CG2 4.44Å; P347-I353 HydrophobicContact CG-CG2 4.4Å; S351-I353 VanDerWaalsContact C-N 3.32Å; I353-D357 HydrophobicContact CD1-CB 4.43Å; I353-D357 HydrophobicContact CG1-CB 3.68Å; I353-L361 HydrophobicContact CD1-CD1 3.75Å; I353-L376 HydrophobicContact CD1-CD2 4Å |
| 354 | S | 61.1 | Low | 51.2 | Low | 42 Ų | 42 | 74.7 Ų | 74.7 | 29% | 0.294 | 46% | 0.458 | S | S | . | . | | | trans | -72.3 | 157.1 | 177.7 | 79.5 | 0 | 0 | 0 | 0 | 110.7 | S356 D357 L358 | S354-S356 PolarHBondContact O-N 3.36Å; S354-S356 PolarHBondContact OG-N 3.45Å; S354-D357 WeakPolarHBondContact CB-OD2 3.29Å; S354-D357 PolarHBondContact N-OD2 3Å; S354-D357 VanDerWaalsContact N-OD2 3.15Å; S354-D357 PolarHBondContact O-N 2.92Å; S354-D357 PolarHBondContact OG-N 2.91Å; S354-D357 PolarHBondContact OG-OD2 2.9Å; S354-L358 PolarHBondContact O-N 3.39Å |
| 355 | P | 55.1 | Low | 52.2 | Low | 89 Ų | 89 | 72 Ų | 72 | 58% | 0.578 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -55.7 | -35.8 | 171.8 | -24.6 | 34.7 | 0 | 0 | 0 | 112 | P347 L358 Q359 | P347-P355 HydrophobicContact CG-CG 4.31Å; P355-L358 PolarHBondContact O-N 3.46Å; P355-Q359 WeakPolarHBondContact O-CB 3.42Å; P355-Q359 PolarHBondContact O-N 3.2Å |
| 356 | S | 63.5 | Low | 53 | Low | 80 Ų | 80 | 76 Ų | 76 | 56% | 0.559 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.9 | -47 | 176.2 | -52.1 | 0 | 0 | 0 | 0 | 112.3 | S354 L358 Q359 Q360 | S354-S356 PolarHBondContact O-N 3.36Å; S354-S356 PolarHBondContact OG-N 3.45Å; S356-L358 VanDerWaalsContact C-N 3.3Å; S356-L358 PolarHBondContact O-N 3.34Å; S356-Q359 WeakPolarHBondContact O-CB 3.46Å; S356-Q359 PolarHBondContact O-N 3.31Å; S356-Q360 VanDerWaalsContact O-CB 3.23Å; S356-Q360 WeakPolarHBondContact O-CB 3.48Å; S356-Q360 PolarHBondContact O-N 3.19Å |
| 357 | D | 61.6 | Low | 53.2 | Low | 78 Ų | 78 | 71.6 Ų | 71.6 | 42% | 0.417 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 177.8 | -61.2 | -58.2 | 0 | 0 | 0 | 111.3 | I353 S354 Q360 L361 | I353-D357 HydrophobicContact CD1-CB 4.43Å; I353-D357 HydrophobicContact CG1-CB 3.68Å; S354-D357 WeakPolarHBondContact CB-OD2 3.29Å; S354-D357 PolarHBondContact N-OD2 3Å; S354-D357 VanDerWaalsContact N-OD2 3.15Å; S354-D357 PolarHBondContact O-N 2.92Å; S354-D357 PolarHBondContact OG-N 2.91Å; S354-D357 PolarHBondContact OG-OD2 2.9Å; D357-Q360 PolarHBondContact O-N 2.87Å; D357-L361 WeakPolarHBondContact O-CB 3.41Å; D357-L361 WeakPolarHBondContact O-CG 3.42Å; D357-L361 PolarHBondContact O-N 3.42Å |
| 358 | L | 61.9 | Low | 53.6 | Low | 30 Ų | 30 | 78 Ų | 78 | 16% | 0.157 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 175.8 | -171.4 | 73.8 | 0 | 0 | 0 | 111.1 | L345 P347 S354 P355 S356 Q360 L361 V362 | L345-L358 HydrophobicContact CB-CD2 3.86Å; L345-L358 VanDerWaalsContact O-CD2 3.3Å; L345-L358 WeakPolarHBondContact O-CD2 3.5Å; P347-L358 HydrophobicContact CG-CD2 4.26Å; S354-L358 PolarHBondContact O-N 3.39Å; P355-L358 PolarHBondContact O-N 3.46Å; S356-L358 VanDerWaalsContact C-N 3.3Å; S356-L358 PolarHBondContact O-N 3.34Å; L358-Q360 VanDerWaalsContact C-N 3.27Å; L358-Q360 PolarHBondContact O-N 3.3Å; L358-L361 PolarHBondContact O-N 3.03Å; L358-V362 WeakPolarHBondContact O-CG2 3.44Å; L358-V362 PolarHBondContact O-N 2.65Å |
| 359 | Q | 64.3 | Low | 54.1 | Low | 143 Ų | 143 | 79.8 Ų | 79.8 | 67% | 0.668 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.9 | -40.9 | 176.2 | -161.2 | 75.7 | 48.4 | 0 | 0 | 111.2 | P355 S356 V362 A363 | P355-Q359 WeakPolarHBondContact O-CB 3.42Å; P355-Q359 PolarHBondContact O-N 3.2Å; S356-Q359 WeakPolarHBondContact O-CB 3.46Å; S356-Q359 PolarHBondContact O-N 3.31Å; Q359-V362 PolarHBondContact O-N 3.06Å; Q359-A363 VanDerWaalsContact O-CB 3.32Å; Q359-A363 WeakPolarHBondContact O-CB 3.19Å; Q359-A363 PolarHBondContact O-N 3.24Å |
| 360 | Q | 63.9 | Low | 54.5 | Low | 134 Ų | 134 | 77 Ų | 77 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -75.7 | -35.8 | -176.7 | -162 | 155.8 | 6.4 | 0 | 0 | 112.3 | S356 D357 L358 A363 S364 | S356-Q360 VanDerWaalsContact O-CB 3.23Å; S356-Q360 WeakPolarHBondContact O-CB 3.48Å; S356-Q360 PolarHBondContact O-N 3.19Å; D357-Q360 PolarHBondContact O-N 2.87Å; L358-Q360 VanDerWaalsContact C-N 3.27Å; L358-Q360 PolarHBondContact O-N 3.3Å; Q360-A363 PolarHBondContact O-N 2.96Å; Q360-S364 WeakPolarHBondContact O-CB 3.43Å; Q360-S364 PolarHBondContact O-N 3.47Å; Q360-S364 PolarHBondContact O-OG 3.35Å |
| 361 | L | 59 | Low | 54.8 | Low | 39 Ų | 39 | 76 Ų | 76 | 20% | 0.204 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67 | -35.3 | 170.5 | -82.4 | 162.9 | 0 | 0 | 0 | 113.4 | I353 D357 L358 G365 A372 | I353-L361 HydrophobicContact CD1-CD1 3.75Å; D357-L361 WeakPolarHBondContact O-CB 3.41Å; D357-L361 WeakPolarHBondContact O-CG 3.42Å; D357-L361 PolarHBondContact O-N 3.42Å; L358-L361 PolarHBondContact O-N 3.03Å; L361-G365 PolarHBondContact O-N 3.17Å; L361-A372 HydrophobicContact CD2-CB 4.27Å |
| 362 | V | 57.6 | Low | 55 | Low | 39 Ų | 39 | 74.5 Ų | 74.5 | 24% | 0.236 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -69.6 | -36.2 | 173.5 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | Q250 L358 Q359 | Q250-V362 PolarHBondContact NE2-O 3.38Å; Q250-V362 VanDerWaalsContact NE2-O 3.09Å; L358-V362 WeakPolarHBondContact O-CG2 3.44Å; L358-V362 PolarHBondContact O-N 2.65Å; Q359-V362 PolarHBondContact O-N 3.06Å |
| 363 | A | 55.7 | Low | 54.7 | Low | 87 Ų | 87 | 74.6 Ų | 74.6 | 72% | 0.719 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -78 | -35.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q359 Q360 | Q359-A363 VanDerWaalsContact O-CB 3.32Å; Q359-A363 WeakPolarHBondContact O-CB 3.19Å; Q359-A363 PolarHBondContact O-N 3.24Å; Q360-A363 PolarHBondContact O-N 2.96Å |
| 364 | S | 53.8 | Low | 54.2 | Low | 53 Ų | 53 | 79.9 Ų | 79.9 | 37% | 0.371 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -83.1 | -20.1 | -176.7 | 75.2 | 0 | 0 | 0 | 0 | 113.9 | Q360 E366 | Q360-S364 WeakPolarHBondContact O-CB 3.43Å; Q360-S364 PolarHBondContact O-N 3.47Å; Q360-S364 PolarHBondContact O-OG 3.35Å; S364-E366 WeakPolarHBondContact CB-OE2 3.21Å; S364-E366 PolarHBondContact O-N 3.22Å; S364-E366 WeakPolarHBondContact OG-CB 3.43Å; S364-E366 VanDerWaalsContact OG-CG 3.28Å; S364-E366 WeakPolarHBondContact OG-CG 3.05Å; S364-E366 PolarHBondContact OG-N 2.93Å; S364-E366 PolarHBondContact OG-OE2 3.05Å |
| 365 | G | 55.9 | Low | 53.6 | Low | 30 Ų | 30 | 84 Ų | 84 | 31% | 0.309 | 48% | 0.476 | S | S | . | . | | | trans | 71.3 | 0.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L361 F367 M368 | L361-G365 PolarHBondContact O-N 3.17Å; G365-F367 PolarHBondContact O-N 3.42Å; G365-M368 PolarHBondContact O-N 2.95Å |
| 366 | E | 53.8 | Low | 52.9 | Low | 116 Ų | 116 | 81.7 Ų | 81.7 | 54% | 0.542 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -69.4 | -1.3 | -173.2 | -67 | 171.5 | 119.1 | 0 | 0 | 114.4 | S364 M368 S369 A372 | S364-E366 WeakPolarHBondContact CB-OE2 3.21Å; S364-E366 PolarHBondContact O-N 3.22Å; S364-E366 WeakPolarHBondContact OG-CB 3.43Å; S364-E366 VanDerWaalsContact OG-CG 3.28Å; S364-E366 WeakPolarHBondContact OG-CG 3.05Å; S364-E366 PolarHBondContact OG-N 2.93Å; S364-E366 PolarHBondContact OG-OE2 3.05Å; E366-M368 PolarHBondContact O-N 3.44Å; E366-S369 VanDerWaalsContact O-CB 3.23Å; E366-S369 WeakPolarHBondContact O-CB 3.47Å; E366-S369 PolarHBondContact O-N 3.41Å; E366-A372 VanDerWaalsContact O-CB 3.31Å; E366-A372 WeakPolarHBondContact O-CB 3.49Å |
| 367 | F | 48.5 | Very low | 51.7 | Low | 35 Ų | 35 | 81.5 Ų | 81.5 | 15% | 0.154 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -54.1 | -22.9 | 169.5 | -161.2 | -83.4 | 0 | 0 | 0 | 112.8 | V239 L242 A243 I246 G365 L376 | V239-F367 HydrophobicContact CG1-CE1 4.25Å; V239-F367 HydrophobicContact CG1-CZ 4.28Å; L242-F367 HydrophobicContact CD2-CE2 4.04Å; L242-F367 HydrophobicContact CD2-CZ 4.03Å; L242-F367 HydrophobicContact CG-CZ 4.41Å; A243-F367 HydrophobicContact CB-CD1 4.33Å; A243-F367 HydrophobicContact CB-CE1 3.98Å; I246-F367 HydrophobicContact CD1-CD2 4.3Å; G365-F367 PolarHBondContact O-N 3.42Å; F367-L376 HydrophobicContact CD2-CD1 3.76Å; F367-L376 HydrophobicContact CE2-CD1 3.45Å; F367-L376 VanDerWaalsContact CE2-CD1 3.45Å; F367-L376 HydrophobicContact CZ-CD1 4.16Å |
| 368 | M | 45.7 | Very low | 50.4 | Low | 161 Ų | 161 | 80 Ų | 80 | 79% | 0.793 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -78.2 | -14.2 | 173.1 | -68.9 | -177.7 | 56.1 | 0 | 0 | 114.3 | G365 E366 | G365-M368 PolarHBondContact O-N 2.95Å; E366-M368 PolarHBondContact O-N 3.44Å |
| 369 | S | 51.6 | Low | 49.1 | Very low | 57 Ų | 57 | 86.6 Ų | 86.6 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -79.2 | 144.5 | -179.1 | -175.8 | 0 | 0 | 0 | 0 | 112.8 | E366 A371 A372 R373 | E366-S369 VanDerWaalsContact O-CB 3.23Å; E366-S369 WeakPolarHBondContact O-CB 3.47Å; E366-S369 PolarHBondContact O-N 3.41Å; S369-A371 PolarHBondContact O-N 2.89Å; S369-A371 PolarHBondContact OG-N 3.29Å; S369-A372 PolarHBondContact O-N 3.11Å; S369-R373 PolarHBondContact O-N 2.68Å |
| 370 | S | 45.2 | Very low | 47.8 | Very low | 82 Ų | 82 | 81 Ų | 81 | 57% | 0.573 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.3 | -13.2 | 178.1 | -148.7 | 0 | 0 | 0 | 0 | 113.5 | Q374 | S370-Q374 PolarHBondContact O-NE2 3.19Å |
| 371 | A | 46.6 | Very low | 46.8 | Very low | 60 Ų | 60 | 81.4 Ų | 81.4 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.2 | -53.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S369 R373 Q374 T375 | S369-A371 PolarHBondContact O-N 2.89Å; S369-A371 PolarHBondContact OG-N 3.29Å; A371-R373 PolarHBondContact O-N 3.33Å; A371-Q374 PolarHBondContact O-N 3.09Å; A371-T375 PolarHBondContact O-N 3.27Å; A371-T375 PolarHBondContact O-OG1 2.93Å |
| 372 | A | 47.8 | Very low | 45.9 | Very low | 12 Ų | 12 | 85 Ų | 85 | 10% | 0.099 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -57.9 | -36.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L361 E366 S369 Q374 T375 L376 | L361-A372 HydrophobicContact CD2-CB 4.27Å; E366-A372 VanDerWaalsContact O-CB 3.31Å; E366-A372 WeakPolarHBondContact O-CB 3.49Å; S369-A372 PolarHBondContact O-N 3.11Å; A372-Q374 VanDerWaalsContact C-N 3.26Å; A372-Q374 PolarHBondContact O-N 2.84Å; A372-T375 PolarHBondContact O-N 2.79Å; A372-L376 WeakPolarHBondContact O-CB 3.25Å; A372-L376 WeakPolarHBondContact O-CG 3.44Å; A372-L376 PolarHBondContact O-N 3.01Å |
| 373 | R | 42.1 | Very low | 44.7 | Very low | 167 Ų | 167 | 85.5 Ų | 85.5 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.2 | -33.7 | 172 | -77.6 | -178.1 | 158.2 | -154.1 | -4.8 | 114.2 | S369 A371 L377 | S369-R373 PolarHBondContact O-N 2.68Å; A371-R373 PolarHBondContact O-N 3.33Å; R373-L377 WeakPolarHBondContact O-CB 3.44Å; R373-L377 PolarHBondContact O-N 3.41Å |
| 374 | Q | 44.5 | Very low | 43.8 | Very low | 144 Ų | 144 | 84.7 Ų | 84.7 | 67% | 0.673 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -81.4 | -38.4 | 177.7 | -72.8 | 177.3 | 94.4 | 0 | 0 | 111.9 | S370 A371 A372 G378 | S370-Q374 PolarHBondContact O-NE2 3.19Å; A371-Q374 PolarHBondContact O-N 3.09Å; A372-Q374 VanDerWaalsContact C-N 3.26Å; A372-Q374 PolarHBondContact O-N 2.84Å; Q374-G378 PolarHBondContact O-N 2.82Å; Q374-G378 VanDerWaalsContact O-N 3.08Å |
| 375 | T | 46.6 | Very low | 42.9 | Very low | 128 Ų | 128 | 87.9 Ų | 87.9 | 79% | 0.785 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -39.5 | 177.1 | -49.8 | 0 | 0 | 0 | 0 | 112.4 | A371 A372 | A371-T375 PolarHBondContact O-N 3.27Å; A371-T375 PolarHBondContact O-OG1 2.93Å; A372-T375 PolarHBondContact O-N 2.79Å |
| 376 | L | 40.9 | Very low | 42 | Very low | 40 Ų | 40 | 93.1 Ų | 93.1 | 21% | 0.209 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -78.6 | -26 | 179.9 | -73.6 | 160.2 | 0 | 0 | 0 | 113.9 | I353 F367 A372 L388 | I353-L376 HydrophobicContact CD1-CD2 4Å; F367-L376 HydrophobicContact CD2-CD1 3.76Å; F367-L376 HydrophobicContact CE2-CD1 3.45Å; F367-L376 VanDerWaalsContact CE2-CD1 3.45Å; F367-L376 HydrophobicContact CZ-CD1 4.16Å; A372-L376 WeakPolarHBondContact O-CB 3.25Å; A372-L376 WeakPolarHBondContact O-CG 3.44Å; A372-L376 PolarHBondContact O-N 3.01Å; L376-L388 HydrophobicContact CD2-CD1 4.22Å |
| 377 | L | 39.2 | Very low | 41.3 | Very low | 76 Ų | 76 | 92.9 Ų | 92.9 | 40% | 0.398 | 53% | 0.526 | S | S | . | . | | | trans | -137.5 | 43.7 | -169.1 | -64.1 | 164.2 | 0 | 0 | 0 | 112.7 | V239 R373 Q379 | V239-L377 HydrophobicContact CG1-CD1 4.48Å; V239-L377 HydrophobicContact CG2-CD1 3.9Å; V239-L377 HydrophobicContact CG2-CD2 4.36Å; R373-L377 WeakPolarHBondContact O-CB 3.44Å; R373-L377 PolarHBondContact O-N 3.41Å; L377-Q379 PolarHBondContact O-N 3.1Å; L377-Q379 VanDerWaalsContact O-N 3.08Å |
| 378 | G | 33 | Very low | 40.6 | Very low | 46 Ų | 46 | 93.7 Ų | 93.7 | 47% | 0.474 | 53% | 0.532 | S | S | . | . | | | trans | -60.5 | 110.3 | 164 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q374 S380 | Q374-G378 PolarHBondContact O-N 2.82Å; Q374-G378 VanDerWaalsContact O-N 3.08Å; G378-S380 PolarHBondContact O-N 2.89Å |
| 379 | Q | 35.8 | Very low | 40 | Very low | 170 Ų | 170 | 91.3 Ų | 91.3 | 79% | 0.794 | 52% | 0.515 | S | S | * | . | | | trans | -61 | 123.7 | 173 | -71.3 | -162.9 | -43.2 | 0 | 0 | 109.1 | L377 | L377-Q379 PolarHBondContact O-N 3.1Å; L377-Q379 VanDerWaalsContact O-N 3.08Å |
| 380 | S | 36.8 | Very low | 39.3 | Very low | 26 Ų | 26 | 89.1 Ų | 89.1 | 18% | 0.182 | 50% | 0.499 | C | S | . | . | | | trans | -67.9 | 153.8 | 165.6 | 31 | 0 | 0 | 0 | 0 | 109.9 | G378 D382 G383 R386 | G378-S380 PolarHBondContact O-N 2.89Å; S380-D382 WeakPolarHBondContact CB-OD1 3.34Å; S380-D382 PolarHBondContact O-N 3.21Å; S380-D382 PolarHBondContact OG-OD1 3.3Å; S380-G383 PolarHBondContact O-N 3.43Å; S380-R386 PolarHBondContact OG-NH2 3.05Å |
| 381 | S | 41.7 | Very low | 38.8 | Very low | 141 Ų | 141 | 88 Ų | 88 | 99% | 0.986 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 2.4 | -176.9 | 51.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 382 | D | 41.9 | Very low | 38.4 | Very low | 114 Ų | 114 | 86.7 Ų | 86.7 | 61% | 0.61 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -12.4 | 172.4 | 62.7 | -6.5 | 0 | 0 | 0 | 113.5 | S380 S384 | S380-D382 WeakPolarHBondContact CB-OD1 3.34Å; S380-D382 PolarHBondContact O-N 3.21Å; S380-D382 PolarHBondContact OG-OD1 3.3Å; D382-S384 WeakPolarHBondContact OD1-CB 3.39Å; D382-S384 PolarHBondContact OD1-N 2.94Å; D382-S384 WeakPolarHBondContact OD2-CB 3.44Å |
| 383 | G | 32.6 | Very low | 37.6 | Very low | 50 Ų | 50 | 89.4 Ų | 89.4 | 52% | 0.515 | 49% | 0.488 | S | S | . | . | | | trans | 80.4 | 9.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | S380 | S380-G383 PolarHBondContact O-N 3.43Š|
| 384 | S | 34.8 | Very low | 37.4 | Very low | 70 Ų | 70 | 84.6 Ų | 84.6 | 49% | 0.49 | 48% | 0.48 | S | S | . | . | | | trans | -78.6 | 131.9 | -174.4 | -169.1 | 0 | 0 | 0 | 0 | 113.5 | D382 R386 | D382-S384 WeakPolarHBondContact OD1-CB 3.39Å; D382-S384 PolarHBondContact OD1-N 2.94Å; D382-S384 WeakPolarHBondContact OD2-CB 3.44Å; S384-R386 PolarHBondContact O-N 2.95Å |
| 385 | T | 36 | Very low | 37.1 | Very low | 121 Ų | 121 | 84.8 Ų | 84.8 | 74% | 0.742 | 49% | 0.486 | S | S | * | . | | | trans | -79.8 | 114.7 | -178.3 | -36.3 | 0 | 0 | 0 | 0 | 111.4 | Q387 | T385-Q387 PolarHBondContact O-N 3.46Š|
| 386 | R | 36 | Very low | 36.3 | Very low | 139 Ų | 139 | 82 Ų | 82 | 53% | 0.525 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 120.1 | -180 | -65.9 | 177.7 | 180 | -98.3 | -16.5 | 111.3 | S380 S384 | S380-R386 PolarHBondContact OG-NH2 3.05Å; S384-R386 PolarHBondContact O-N 2.95Å |
| 387 | Q | 39.7 | Very low | 36 | Very low | 112 Ų | 112 | 85.7 Ų | 85.7 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 144.1 | 175.5 | -66.2 | -79 | 20.1 | 0 | 0 | 110.8 | T385 Y389 | T385-Q387 PolarHBondContact O-N 3.46Å; Q387-Y389 HydrophobicContact CB-CE2 4.45Å |
| 388 | L | 34 | Very low | 35.8 | Very low | 52 Ų | 52 | 85.9 Ų | 85.9 | 27% | 0.272 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -99.8 | 128.4 | 168.9 | -83.2 | 164.8 | 0 | 0 | 0 | 110.3 | L242 L376 L390 | L242-L388 HydrophobicContact CD2-CD1 4.23Å; L376-L388 HydrophobicContact CD2-CD1 4.22Å; L388-L390 HydrophobicContact CB-CD1 4.14Å |
| 389 | Y | 33.4 | Very low | 35.8 | Very low | 110 Ų | 110 | 90.7 Ų | 90.7 | 43% | 0.431 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.9 | 174.1 | -67.3 | -84.8 | 0 | 0 | 0 | 109.7 | V236 Q387 | V236-Y389 HydrophobicContact CG2-CD1 4.41Å; V236-Y389 HydrophobicContact CG2-CE1 4.16Å; Q387-Y389 HydrophobicContact CB-CE2 4.45Å |
| 390 | L | 36.3 | Very low | 35.6 | Very low | 12 Ų | 12 | 87.1 Ų | 87.1 | 6% | 0.063 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 139 | 172.3 | -65.8 | 91.1 | 0 | 0 | 0 | 109.1 | L242 L345 L388 | L242-L390 HydrophobicContact CD1-CD2 4.24Å; L345-L390 HydrophobicContact CB-CD2 4.3Å; L345-L390 HydrophobicContact CD1-CD2 3.97Å; L345-L390 HydrophobicContact CD2-CD2 4.03Å; L345-L390 HydrophobicContact CG-CD2 4.33Å; L388-L390 HydrophobicContact CB-CD1 4.14Å |
| 391 | L | 34.1 | Very low | 35.3 | Very low | 58 Ų | 58 | 90 Ų | 90 | 30% | 0.304 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 134.6 | 170.3 | -76.3 | 65.9 | 0 | 0 | 0 | 108 | V232 A348 | V232-L391 HydrophobicContact CG1-CB 4.01Å; V232-L391 HydrophobicContact CG1-CD2 3.79Å; V232-L391 HydrophobicContact CG1-CG 3.64Å; A348-L391 HydrophobicContact CB-CD1 4.25Å |
| 392 | V | 38.8 | Very low | 34.9 | Very low | 32 Ų | 32 | 94.3 Ų | 94.3 | 19% | 0.194 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.4 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 108 | A235 | A235-V392 HydrophobicContact CB-CG2 4.02Å |
| 393 | P | 32 | Very low | 34.4 | Very low | 70 Ų | 70 | 94.7 Ų | 94.7 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | | | trans | -62.5 | 144.7 | 176.4 | -24.3 | 35 | 0 | 0 | 0 | 112.9 | D395 | P393-D395 VanDerWaalsContact C-N 3.3Å; P393-D395 PolarHBondContact O-N 3.41Å |
| 394 | S | 36.8 | Very low | 34.3 | Very low | 65 Ų | 65 | 97.4 Ų | 97.4 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -19.7 | -167.7 | -47.3 | 0 | 0 | 0 | 0 | 114.6 | P231 C396 | P231-S394 PolarHBondContact O-OG 3.43Å; S394-C396 PolarHBondContact O-N 2.88Å |
| 395 | D | 38 | Very low | 34.1 | Very low | 149 Ų | 149 | 100.8 Ų | 100.8 | 80% | 0.797 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 10.3 | -166.3 | -52.6 | -70.1 | 0 | 0 | 0 | 115.1 | P393 | P393-D395 VanDerWaalsContact C-N 3.3Å; P393-D395 PolarHBondContact O-N 3.41Å |
| 396 | C | 30.9 | Very low | 34 | Very low | 68 Ų | 68 | 102.2 Ų | 102.2 | 46% | 0.459 | 54% | 0.544 | S | S | . | . | | | trans | -121 | 111.5 | -174.2 | -76 | 0 | 0 | 0 | 0 | 112.8 | S394 V398 | S394-C396 PolarHBondContact O-N 2.88Å; C396-V398 PolarHBondContact O-N 2.85Å |
| 397 | P | 34.7 | Very low | 33.7 | Very low | 118 Ų | 118 | 103.8 Ų | 103.8 | 77% | 0.766 | 56% | 0.558 | S | S | * | * | | | trans | -73.5 | 98.5 | 175.1 | 29.4 | -33.5 | 0 | 0 | 0 | 111.3 | I399 | P397-I399 PolarHBondContact O-N 2.93Š|
| 398 | V | 33.7 | Very low | 33.3 | Very low | 81 Ų | 81 | 104.4 Ų | 104.4 | 49% | 0.491 | 57% | 0.571 | S | S | . | * | | | trans | -75 | 86.6 | 178.8 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | C396 M400 | C396-V398 PolarHBondContact O-N 2.85Å; V398-M400 HydrophobicContact CG1-CE 4.21Å; V398-M400 HydrophobicContact CG1-CG 4.17Å; V398-M400 PolarHBondContact O-N 2.76Å; V398-M400 VanDerWaalsContact O-N 3.13Å |
| 399 | I | 33 | Very low | 33.2 | Very low | 147 Ų | 147 | 107.8 Ų | 107.8 | 75% | 0.754 | 60% | 0.595 | S | S | * | * | | | trans | -75.5 | 96.7 | 173.1 | -56.6 | 175.6 | 0 | 0 | 0 | 109.2 | P397 | P397-I399 PolarHBondContact O-N 2.93Š|
| 400 | M | 32.1 | Very low | 33.2 | Very low | 95 Ų | 95 | 109.2 Ų | 109.2 | 47% | 0.468 | 61% | 0.607 | S | S | . | * | | | trans | -81.1 | 122 | 169.6 | -68.5 | -168.1 | -179.3 | 0 | 0 | 110.6 | V398 R402 | V398-M400 HydrophobicContact CG1-CE 4.21Å; V398-M400 HydrophobicContact CG1-CG 4.17Å; V398-M400 PolarHBondContact O-N 2.76Å; V398-M400 VanDerWaalsContact O-N 3.13Å; M400-R402 PolarHBondContact O-N 2.97Å |
| 401 | P | 30.6 | Very low | 33 | Very low | 85 Ų | 85 | 114.3 Ų | 114.3 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | | | trans | -67.9 | 128.7 | 171.7 | 27.9 | -33 | 0 | 0 | 0 | 110.2 | V403 | P401-V403 PolarHBondContact O-N 3.38Š|
| 402 | R | 33.5 | Very low | 33.1 | Very low | 232 Ų | 232 | 117.4 Ų | 117.4 | 88% | 0.875 | 66% | 0.662 | S | S | * | * | | | trans | -66.1 | 105.3 | 171.4 | -87.9 | -172.8 | 165.8 | 101.2 | -4.7 | 109.5 | M400 S404 | M400-R402 PolarHBondContact O-N 2.97Å; R402-S404 VanDerWaalsContact C-N 3.35Å; R402-S404 PolarHBondContact O-N 3.14Å |
| 403 | V | 32.1 | Very low | 33.1 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 75% | 0.745 | 69% | 0.694 | S | S | * | * | | | trans | -69.6 | 92.4 | 170.2 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | P401 N405 | P401-V403 PolarHBondContact O-N 3.38Å; V403-N405 PolarHBondContact O-N 3.22Å; V403-N405 VanDerWaalsContact O-N 3.17Å |
| 404 | S | 30.3 | Very low | 33.2 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | | | trans | -76.5 | 96.9 | 172.4 | -167.2 | 0 | 0 | 0 | 0 | 109.4 | R402 N406 | R402-S404 VanDerWaalsContact C-N 3.35Å; R402-S404 PolarHBondContact O-N 3.14Å; S404-N406 PolarHBondContact O-N 3.36Å |
| 405 | N | 29.5 | Very low | 33.2 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | | | trans | -70.8 | 88.4 | 172.3 | -86 | -0.5 | 0 | 0 | 0 | 110 | V403 | V403-N405 PolarHBondContact O-N 3.22Å; V403-N405 VanDerWaalsContact O-N 3.17Å |
| 406 | N | 33.8 | Very low | 32.8 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 81% | 0.807 | 72% | 0.718 | S | S | * | * | | | trans | -154 | 138.3 | 161.4 | -100.8 | -38.4 | 0 | 0 | 0 | 113.5 | S404 | S404-N406 PolarHBondContact O-N 3.36Š|
| 407 | Q | 30.9 | Very low | 33.2 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | | | trans | 67.1 | 120.6 | 167.4 | -161.3 | 162 | -4.6 | 0 | 0 | 118.6 | | |
| 408 | P | 30.3 | Very low | 32.9 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | | | trans | -86.4 | 135.9 | 170.5 | 34.1 | -31.9 | 0 | 0 | 0 | 111.7 | | |
| 409 | T | 32.6 | Very low | 33.1 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | | | trans | -110.6 | 115.6 | 172.1 | -61 | 0 | 0 | 0 | 0 | 109.6 | | |
| 410 | M | 33.3 | Very low | 33.1 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | | | trans | -83.9 | 122.5 | 170 | -80.4 | -71.5 | -176 | 0 | 0 | 109.9 | | |
| 411 | T | 32.3 | Very low | 33.2 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | trans | -93.5 | 144.1 | 163 | 45.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 412 | P | 36.9 | Very low | 33.3 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | trans | -113 | 160.2 | 145.5 | 34.7 | -28.5 | 0 | 0 | 0 | 110.9 | | |
| 413 | I | 37.1 | Very low | 33.3 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | | | trans | -90 | 154.9 | -167.7 | -65 | 165.6 | 0 | 0 | 0 | 111.4 | | |
| 414 | L | 34.9 | Very low | 33.4 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | -55 | 160.1 | 174.7 | -142 | 77.5 | 0 | 0 | 0 | 112.8 | | |
| 415 | P | 36.4 | Very low | 33.8 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | | | | -132.8 | 166.7 | 105.1 | 38.2 | -31.2 | 0 | 0 | 0 | 114 | | |
| 416 | S | 30.4 | Very low | 34.1 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | | | trans | -81.1 | 150.7 | -170.6 | 48.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 417 | T | 38.1 | Very low | 34.1 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | | | | -162.2 | 135.3 | 121.6 | 20.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 418 | S | 29.6 | Very low | 34.2 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | -98.1 | -177.3 | 160.8 | -47.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 419 | P | 37.2 | Very low | 34.6 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | cis | -149.1 | -166.7 | 9 | 45.8 | -25.5 | 0 | 0 | 0 | 117.3 | | |
| 420 | L | 32.6 | Very low | 34.6 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | 77.4 | 138.9 | 148.9 | -72.2 | 174.4 | 0 | 0 | 0 | 122.6 | | |
| 421 | I | 35.4 | Very low | 34.6 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | | | trans | 71.2 | 135.1 | 140.5 | -73.8 | 166.3 | 0 | 0 | 0 | 118.1 | | |
| 422 | E | 32.5 | Very low | 34.6 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | | | cis | -171.3 | 176.7 | -12.5 | -156.7 | 174.1 | 179.1 | 0 | 0 | 110.1 | | |
| 423 | S | 33.7 | Very low | 34.3 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | trans | 65.4 | 81 | 152.8 | -60.1 | 0 | 0 | 0 | 0 | 123.8 | | |
| 424 | I | 34.5 | Very low | 34.2 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | | | | 17.7 | 146.3 | 111.7 | -26.2 | 166.9 | 0 | 0 | 0 | 118.5 | | |
| 425 | P | 37.8 | Very low | 34.3 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | cis | -141.1 | -143.5 | -47.8 | 47.9 | -29.5 | 0 | 0 | 0 | 113.7 | | |
| 426 | T | 35 | Very low | 34.4 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | trans | 111.8 | 130.9 | 142.9 | -0.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 427 | S | 33.6 | Very low | 34.5 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | 83.8 | 145.7 | 148.3 | -60.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 428 | A | 33.8 | Very low | 34.4 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -145.7 | -131.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 429 | P | 38.4 | Very low | 34.7 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | cis | -139.7 | -159.8 | -17.2 | 26.8 | 1.1 | 0 | 0 | 0 | 115.1 | | |
| 430 | I | 34 | Very low | 35 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | | | trans | 79.4 | 147.2 | 152 | 7.1 | 172.1 | 0 | 0 | 0 | 125.8 | | |
| 431 | L | 32.4 | Very low | 35.1 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | | | trans | 76.1 | 152.3 | 157.6 | -62.7 | 179.2 | 0 | 0 | 0 | 119 | | |
| 432 | E | 32.3 | Very low | 35.1 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | cis | -143.9 | 174.2 | 7.4 | -152 | 166.5 | 174.3 | 0 | 0 | 112.3 | | |
| 433 | A | 30.4 | Very low | 35.2 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | | | trans | -147.5 | 146.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 434 | I | 34.8 | Very low | 35 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | | | trans | -142.8 | 128.7 | 173.7 | -56.1 | -179.9 | 0 | 0 | 0 | 111.6 | | |
| 435 | S | 37.3 | Very low | 35 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -144.8 | 140.8 | 160.6 | -68.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 436 | P | 38.9 | Very low | 34.7 | Very low | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | | | | -140.5 | 173.3 | 129.1 | 33.1 | -16.9 | 0 | 0 | 0 | 111.7 | | |
| 437 | G | 32.7 | Very low | 34.4 | Very low | 63 Ų | 63 | 134.2 Ų | 134.2 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | cis | 128.9 | 156.4 | 4.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 438 | V | 35.6 | Very low | 34.2 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | | | trans | 78.2 | 139.4 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 439 | E | 35.8 | Very low | 34.2 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | cis | -170 | -176.9 | -34.1 | -107.5 | -58.8 | 82.8 | 0 | 0 | 107.4 | | |
| 440 | P | 43.4 | Very low | 33.9 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | | | trans | -97.1 | -169.9 | -163 | 41.4 | -41.7 | 0 | 0 | 0 | 115.7 | | |
| 441 | E | 34.5 | Very low | 33.6 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | | | trans | -169.6 | 169.5 | 143 | -93.4 | -94.4 | 104.8 | 0 | 0 | 112.7 | | |
| 442 | E | 35.7 | Very low | 33.7 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 64% | 0.64 | 76% | 0.756 | S | S | * | * | | | trans | -54.2 | 153.9 | -163.2 | -40.9 | -176.1 | 126.9 | 0 | 0 | 121.8 | | |
| 443 | N | 35.5 | Very low | 33.6 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | | | | -165.9 | 163.4 | 105.9 | -116.8 | -75.8 | 0 | 0 | 0 | 117.5 | | |
| 444 | N | 28.8 | Very low | 33.4 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | | | trans | -97.6 | 161.7 | -171.2 | -80.1 | -78.3 | 0 | 0 | 0 | 115 | | |
| 445 | V | 35.1 | Very low | 33.2 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 90% | 0.903 | 74% | 0.74 | S | S | * | * | | | | -169.5 | 144.5 | 116.8 | 142.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 446 | Q | 29.8 | Very low | 32.9 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | | | trans | -115.4 | 143.5 | -168.9 | 164 | -177 | -17.9 | 0 | 0 | 111.9 | | |
| 447 | M | 30.3 | Very low | 32.6 | Very low | 187 Ų | 187 | 129 Ų | 129 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | | | trans | -142.3 | 161.2 | 150.5 | -79.1 | -56 | -79 | 0 | 0 | 109.5 | | |
| 448 | Q | 28 | Very low | 32.6 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | | | trans | -144.7 | 177.1 | -148.8 | -170.4 | 169.2 | -9.6 | 0 | 0 | 112.2 | | |
| 449 | S | 34.1 | Very low | 32.3 | Very low | 85 Ų | 85 | 135 Ų | 135 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | | | trans | 81.1 | 142.2 | 166.7 | -60.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 450 | E | 31.8 | Very low | 32 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | | | cis | -158.6 | 178.9 | -5.2 | -125.2 | 148.1 | -122.9 | 0 | 0 | 113.9 | | |
| 451 | S | 29.5 | Very low | 31.2 | Very low | 95 Ų | 95 | 135 Ų | 135 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | | | trans | -47.8 | 159 | 175.8 | 61.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 452 | S | 32.8 | Very low | 31.1 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | | | | 173.7 | 179.3 | 60.6 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 453 | T | 30 | Very low | 30.8 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | cis | -177.6 | 135.6 | -42.6 | -75.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 454 | C | 27.1 | Very low | 30.6 | Very low | 104 Ų | 104 | 130 Ų | 130 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | | | trans | 68.6 | 163.6 | 161.3 | -77.1 | 0 | 0 | 0 | 0 | 119 | | |
| 455 | N | 31.6 | Very low | 30.5 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | | | cis | -163.1 | 159.4 | -5.8 | -118.2 | -8.2 | 0 | 0 | 0 | 114.1 | | |
| 456 | N | 30.1 | Very low | 30.3 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | trans | 61.4 | 149.7 | 144.5 | -67.4 | -20.3 | 0 | 0 | 0 | 120.3 | | |
| 457 | A | 32.3 | Very low | 30.3 | Very low | 84 Ų | 84 | 131 Ų | 131 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | | | cis | -163.9 | -167.5 | -12.3 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 458 | Q | 32.3 | Very low | 30.2 | Very low | 180 Ų | 180 | 125.7 Ų | 125.7 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | | | cis | -151.9 | -135.6 | 9.5 | -156.7 | 171.1 | -93.6 | 0 | 0 | 111.2 | | |
| 459 | Q | 29.3 | Very low | 30.1 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | | | trans | -155.2 | 162.7 | -170.5 | -62.4 | 174.4 | -14 | 0 | 0 | 111.1 | | |
| 460 | V | 29.5 | Very low | 29.8 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | | | trans | 161 | 118.2 | 145 | 158.1 | 0 | 0 | 0 | 0 | 106.4 | | |
| 461 | L | 28.1 | Very low | 29.6 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | | | cis | 102.1 | 137.7 | 15.5 | -149 | 164 | 0 | 0 | 0 | 113.7 | | |
| 462 | T | 31.7 | Very low | 29.6 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 77% | 0.767 | 71% | 0.71 | S | S | * | * | | | trans | 75.6 | 152.3 | -174.8 | 78.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 463 | S | 29.7 | Very low | 29.5 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | | | cis | -167.7 | 178.1 | -21.5 | 51.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 464 | V | 29.9 | Very low | 29.8 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 78% | 0.782 | 71% | 0.71 | S | S | * | * | | | cis | -144.8 | 165.4 | 14.1 | -167.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 465 | S | 28.1 | Very low | 29.8 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | | | trans | -76.8 | 163.7 | 173.8 | -38.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 466 | H | 30.8 | Very low | 29.6 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | | | | -179.7 | 122.4 | 128.4 | -97.4 | -66.6 | 0 | 0 | 0 | 114.2 | | |
| 467 | L | 29.3 | Very low | 29.5 | Very low | 163 Ų | 163 | 123 Ų | 123 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | | | trans | 58.6 | 148.5 | 148.4 | -57 | 165.5 | 0 | 0 | 0 | 120.3 | | |
| 468 | A | 28.2 | Very low | 29.3 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | | | cis | -168.5 | 165.2 | -22.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 469 | T | 26.6 | Very low | 29.1 | Very low | 133 Ų | 133 | 120.1 Ų | 120.1 | 82% | 0.816 | 72% | 0.717 | S | S | * | * | | | trans | 25 | 129.2 | 140.1 | -57.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 470 | T | 27.9 | Very low | 29 | Very low | 90 Ų | 90 | 118.7 Ų | 118.7 | 55% | 0.552 | 72% | 0.719 | S | S | * | * | | | cis | -162.3 | -164 | 2.6 | -105.2 | 0 | 0 | 0 | 0 | 110.1 | V122 | V122-T470 HydrophobicContact CB-CG2 3.73Å; V122-T470 HydrophobicContact CG1-CG2 3.58Å |
| 471 | M | 26.3 | Very low | 28.9 | Very low | 90 Ų | 90 | 118.5 Ų | 118.5 | 44% | 0.443 | 72% | 0.719 | S | S | . | * | | | trans | -137.2 | -169.9 | -170.9 | -32.6 | 171.4 | 77.3 | 0 | 0 | 114.4 | V122 A123 L124 | V122-M471 WeakPolarHBondContact CG1-O 3.48Å; A123-M471 HydrophobicContact CB-CB 3.7Å; A123-M471 HydrophobicContact CB-CG 4.06Å; A123-M471 HydrophobicContact CB-SD 4.1Å; L124-M471 HydrophobicContact CD2-SD 4.05Å |
| 472 | L | 29.5 | Very low | 28.8 | Very low | 89 Ų | 89 | 116.3 Ų | 116.3 | 47% | 0.466 | 72% | 0.72 | S | S | . | * | | | trans | 89.8 | 122.2 | 166.8 | -76.6 | 176 | 0 | 0 | 0 | 120.8 | V122 A123 | V122-L472 HydrophobicContact CG1-CB 4.17Å; V122-L472 HydrophobicContact CG1-CD1 4.21Å; A123-L472 HydrophobicContact CB-CB 4.33Å; A123-L472 HydrophobicContact CB-CD1 3.51Å; A123-L472 HydrophobicContact CB-CG 3.48Å; A123-L472 VanDerWaalsContact CB-CG 3.48Å |
| 473 | N | 31 | Very low | 28.7 | Very low | 125 Ų | 125 | 118.7 Ų | 118.7 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | | | | 37.2 | 149.4 | 112.7 | -65.6 | 11.5 | 0 | 0 | 0 | 120.5 | | |
| 474 | P | 36.5 | Very low | 28.5 | Very low | 124 Ų | 124 | 118.6 Ų | 118.6 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | | | cis | -144.2 | 174.5 | 32.9 | 41.6 | -22.1 | 0 | 0 | 0 | 119 | | |
| 475 | M | 26.2 | Very low | 28.3 | Very low | 180 Ų | 180 | 117.4 Ų | 117.4 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | | | trans | -67.1 | 129.1 | 163.9 | 159.2 | -173.9 | 66 | 0 | 0 | 112.6 | | |
| 476 | S | 28.7 | Very low | 28.6 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | | | trans | -172.2 | 161 | 138.3 | -152.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 477 | S | 27.8 | Very low | 28.6 | Very low | 84 Ų | 84 | 122 Ų | 122 | 59% | 0.587 | 73% | 0.731 | S | S | * | * | | | trans | -47 | 144 | -179 | 57.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 478 | A | 28.4 | Very low | 28.6 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | | | trans | -161.1 | 124.1 | 138.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 479 | S | 28.1 | Very low | 28.6 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | | | | 85.6 | 102.8 | 67.8 | -161.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 480 | T | 26.5 | Very low | 29 | Very low | 126 Ų | 126 | 120 Ų | 120 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | | 42.1 | 120.8 | 126.6 | -39.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 481 | T | 27 | Very low | 29.2 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 83% | 0.828 | 75% | 0.748 | S | S | * | * | | | | 168.7 | 152.5 | 125.4 | -74 | 0 | 0 | 0 | 0 | 111.1 | | |
| 482 | A | 26.7 | Very low | 29.5 | Very low | 87 Ų | 87 | 124 Ų | 124 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | | | trans | 72.1 | 144.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 483 | L | 29.3 | Very low | 29.6 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | | | cis | -114.6 | 139.1 | 8.2 | -73 | 160.1 | 0 | 0 | 0 | 112.7 | | |
| 484 | S | 24.9 | Very low | 29.8 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -84.8 | 157.3 | 158.2 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 485 | T | 27.7 | Very low | 29.6 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 64% | 0.638 | 78% | 0.776 | S | S | * | * | | | trans | 71.1 | 93.8 | 159.8 | -44.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 486 | F | 33.8 | Very low | 29.9 | Very low | 216 Ų | 216 | 134.1 Ų | 134.1 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | | | | -134.2 | 143.5 | 122.8 | -131.1 | -89.3 | 0 | 0 | 0 | 110.1 | | |
| 487 | L | 29.7 | Very low | 30.3 | Very low | 146 Ų | 146 | 134 Ų | 134 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | trans | -105.2 | 155.5 | -165.4 | -86.7 | 161.9 | 0 | 0 | 0 | 112.8 | | |
| 488 | A | 29.4 | Very low | 30.3 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | 61.9 | 126.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 489 | G | 29.9 | Very low | 30.6 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | trans | 177.6 | 82.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 490 | L | 33.4 | Very low | 30.5 | Very low | 161 Ų | 161 | 144 Ų | 144 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | 64.2 | 110.1 | 161.5 | -56 | 164.6 | 0 | 0 | 0 | 116.4 | | |
| 491 | E | 32.1 | Very low | 30.7 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | | 72.5 | 84.4 | 54.9 | -158.6 | 174.5 | 174.6 | 0 | 0 | 112 | | |
| 492 | A | 32.6 | Very low | 30.7 | Very low | 87 Ų | 87 | 147.7 Ų | 147.7 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | | | | 83.2 | 104.9 | 78.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 493 | R | 31.9 | Very low | 30.8 | Very low | 237 Ų | 237 | 151.6 Ų | 151.6 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | | | trans | -171.6 | 141.8 | 161.4 | -105.4 | 171.9 | 162.1 | 114.9 | -2.8 | 108.2 | | |
| 494 | N | 34.4 | Very low | 30.9 | Very low | 121 Ų | 121 | 147 Ų | 147 | 65% | 0.647 | 79% | 0.788 | S | S | * | * | | | cis | -160.5 | 173.6 | -14 | -143.3 | -129.8 | 0 | 0 | 0 | 110.8 | | |
| 495 | H | 34.2 | Very low | 31.3 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 70% | 0.704 | 80% | 0.796 | S | S | * | * | | | trans | -44.5 | 168.7 | -179.4 | -43.2 | -49.3 | 0 | 0 | 0 | 117.8 | | |
| 496 | R | 31.7 | Very low | 32 | Very low | 220 Ų | 220 | 150.1 Ų | 150.1 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | cis | -166.3 | 170.4 | -10.9 | -119.1 | -174.1 | 171.5 | -172.3 | -1.7 | 108.6 | | |
| 497 | P | 36.9 | Very low | 32.1 | Very low | 108 Ų | 108 | 147 Ų | 147 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | -103.3 | -168.5 | 179.3 | 38.1 | -28.9 | 0 | 0 | 0 | 114.3 | | |
| 498 | I | 28.2 | Very low | 32.4 | Very low | 137 Ų | 137 | 147.5 Ų | 147.5 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | | | trans | 133.1 | 144.2 | 150.8 | -63.5 | 153.3 | 0 | 0 | 0 | 113.5 | | |
| 499 | Q | 33.9 | Very low | 32.7 | Very low | 177 Ų | 177 | 152.6 Ų | 152.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | 75 | 118.5 | 178.6 | -37.2 | -162.8 | -7.1 | 0 | 0 | 115.9 | | |
| 500 | Q | 26.3 | Very low | 33.5 | Very low | 184 Ų | 184 | 154.1 Ų | 154.1 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | cis | 83.5 | 84.3 | 33 | -164.6 | -173.4 | -3.9 | 0 | 0 | 114.2 | | |
| 501 | I | 31 | Very low | 33.5 | Very low | 171 Ų | 171 | 152.1 Ų | 152.1 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | trans | -130.5 | 129.1 | 156.1 | -65.2 | -178.2 | 0 | 0 | 0 | 108.3 | | |
| 502 | Q | 27.3 | Very low | 33.9 | Very low | 169 Ų | 169 | 151 Ų | 151 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | -104.6 | 133.3 | 170.3 | 171.9 | 123.6 | 11.9 | 0 | 0 | 108.2 | | |
| 503 | L | 29.2 | Very low | 34.1 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | | | trans | 167.1 | 149.9 | 142.6 | -112.8 | 66 | 0 | 0 | 0 | 110.8 | | |
| 504 | G | 30.7 | Very low | 34.5 | Very low | 79 Ų | 79 | 147.2 Ų | 147.2 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | | | trans | 103.4 | 85.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 505 | D | 33.2 | Very low | 34.7 | Very low | 166 Ų | 166 | 148 Ų | 148 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -76.6 | 163.6 | 155.4 | -99.3 | -52.6 | 0 | 0 | 0 | 110.8 | | |
| 506 | P | 42.9 | Very low | 34.7 | Very low | 104 Ų | 104 | 151.4 Ų | 151.4 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | | | trans | -90.9 | 143.2 | -143.8 | 32.7 | -38 | 0 | 0 | 0 | 117.4 | M508 | P506-M508 PolarHBondContact O-N 3.15Š|
| 507 | D | 35.4 | Very low | 34.9 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | trans | -72.7 | 106 | 162.2 | -96.9 | -45.6 | 0 | 0 | 0 | 111.2 | | |
| 508 | M | 36.5 | Very low | 34.5 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | | | trans | -114.2 | 69.8 | 167.9 | -91.2 | -67.8 | -67 | 0 | 0 | 110.8 | P506 | P506-M508 PolarHBondContact O-N 3.15Š|
| 509 | Y | 35 | Very low | 34.9 | Very low | 211 Ų | 211 | 147.6 Ų | 147.6 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | | | trans | -89 | 110.8 | 167.9 | -98.4 | -84.2 | 0 | 0 | 0 | 111.2 | | |
| 510 | T | 45.7 | Very low | 34.9 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 61% | 0.613 | 80% | 0.795 | S | S | * | * | | | trans | -120.2 | 143.4 | 156.6 | 48.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 511 | P | 34.9 | Very low | 35.3 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 143 | 178.1 | 27.2 | -33.6 | 0 | 0 | 0 | 110.5 | | |
| 512 | N | 41 | Very low | 35.4 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.8 | 32.6 | 176 | -46.2 | -26.3 | 0 | 0 | 0 | 117.7 | H514 | N512-H514 PolarHBondContact O-N 2.94Å; N512-H514 VanDerWaalsContact O-N 3.09Å |
| 513 | G | 35.1 | Very low | 36 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | | 66.7 | 25.3 | 112.7 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 514 | H | 40.8 | Very low | 36.5 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | | | trans | -127.7 | 112.9 | 171.4 | -77.1 | -64.8 | 0 | 0 | 0 | 113.6 | N512 | N512-H514 PolarHBondContact O-N 2.94Å; N512-H514 VanDerWaalsContact O-N 3.09Å |
| 515 | T | 39.2 | Very low | 36.8 | Very low | 137 Ų | 137 | 144 Ų | 144 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | -76.3 | 129.3 | 171.3 | -30.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 516 | Y | 33 | Very low | 36.9 | Very low | 223 Ų | 223 | 146.1 Ų | 146.1 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | | | trans | -109.5 | 124.3 | 167 | -102.6 | -87.6 | 0 | 0 | 0 | 110.5 | | |
| 517 | S | 36.5 | Very low | 36.6 | Very low | 108 Ų | 108 | 152.8 Ų | 152.8 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | -76.5 | 155.3 | 177 | -61.2 | 0 | 0 | 0 | 0 | 112 | L519 | S517-L519 PolarHBondContact O-N 2.72Š|
| 518 | S | 29.5 | Very low | 36.7 | Very low | 113 Ų | 113 | 151.1 Ų | 151.1 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -49.1 | 134.5 | 170.4 | -178 | 0 | 0 | 0 | 0 | 112.1 | | |
| 519 | L | 36.3 | Very low | 36.5 | Very low | 164 Ų | 164 | 154.6 Ų | 154.6 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | -135.9 | 125.7 | 161.8 | -113.1 | 173.1 | 0 | 0 | 0 | 109.9 | S517 | S517-L519 PolarHBondContact O-N 2.72Š|
| 520 | V | 34 | Very low | 36.9 | Very low | 108 Ų | 108 | 149.9 Ų | 149.9 | 66% | 0.655 | 79% | 0.785 | S | S | * | * | | | trans | -79.1 | 173.6 | 170.4 | -70.2 | 0 | 0 | 0 | 0 | 111 | | |
| 521 | D | 33.6 | Very low | 36.4 | Very low | 138 Ų | 138 | 151 Ų | 151 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | | | trans | 63.9 | 80.3 | 168.1 | -62.6 | -47.6 | 0 | 0 | 0 | 118.1 | | |
| 522 | E | 34.4 | Very low | 36.2 | Very low | 178 Ų | 178 | 156 Ų | 156 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -104.4 | 51.2 | 165.4 | -165.7 | 151.1 | -138.2 | 0 | 0 | 112.7 | | |
| 523 | T | 40 | Very low | 35.9 | Very low | 102 Ų | 102 | 154.3 Ų | 154.3 | 63% | 0.626 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -122 | 34.8 | -173.9 | 47.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 524 | N | 38.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 159.8 Ų | 159.8 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -153.5 | -0.7 | 170.2 | -109.5 | -57.5 | 0 | 0 | 0 | 118.6 | F526 | N524-F526 PolarHBondContact O-N 3.1Å; N524-F526 VanDerWaalsContact O-N 3.12Å |
| 525 | R | 37.6 | Very low | 35.6 | Very low | 215 Ų | 215 | 160.7 Ų | 160.7 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -90.3 | 45.4 | -164.2 | -154.2 | -171.9 | -70.6 | -134.3 | -0.8 | 116.7 | | |
| 526 | F | 35.6 | Very low | 35.2 | Very low | 211 Ų | 211 | 161.3 Ų | 161.3 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | | | trans | -137.3 | 53.1 | 175.3 | -80 | -72.2 | 0 | 0 | 0 | 114.7 | N524 | N524-F526 PolarHBondContact O-N 3.1Å; N524-F526 VanDerWaalsContact O-N 3.12Å |
| 527 | R | 36.8 | Very low | 35.4 | Very low | 243 Ų | 243 | 155.1 Ų | 155.1 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -148.3 | 44.2 | 169.9 | -144.9 | 178.8 | -167.7 | -85.7 | 1.4 | 117.2 | | |
| 528 | S | 36.9 | Very low | 35.3 | Very low | 115 Ų | 115 | 158 Ų | 158 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -152.4 | 109.2 | 165.8 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 529 | Y | 33.2 | Very low | 35.6 | Very low | 232 Ų | 232 | 160 Ų | 160 | 91% | 0.91 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 139.4 | 158.3 | -82.9 | -84 | 0 | 0 | 0 | 108.6 | T531 | Y529-T531 PolarHBondContact O-N 2.96Š|
| 530 | P | 43.5 | Very low | 35.8 | Very low | 111 Ų | 111 | 157.6 Ų | 157.6 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 125.2 | 178.4 | 28.9 | -33.5 | 0 | 0 | 0 | 111.1 | Y532 | P530-Y532 PolarHBondContact O-N 3.38Š|
| 531 | T | 34.2 | Very low | 36.4 | Very low | 123 Ų | 123 | 155.3 Ų | 155.3 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 125.5 | 166.2 | -62 | 0 | 0 | 0 | 0 | 109.2 | Y529 T533 | Y529-T531 PolarHBondContact O-N 2.96Å; T531-T533 PolarHBondContact O-N 3.45Å |
| 532 | Y | 30.4 | Very low | 36.7 | Very low | 224 Ų | 224 | 154.1 Ų | 154.1 | 88% | 0.878 | 75% | 0.753 | S | S | * | * | | | trans | -70.5 | 91.5 | 175.4 | -101.9 | -92 | 0 | 0 | 0 | 111.3 | P530 | P530-Y532 PolarHBondContact O-N 3.38Š|
| 533 | T | 35.9 | Very low | 36.8 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | | | trans | -90.9 | 107.9 | 162.6 | 51.3 | 0 | 0 | 0 | 0 | 109.2 | T531 Q535 | T531-T533 PolarHBondContact O-N 3.45Å; T533-Q535 PolarHBondContact O-N 2.96Å |
| 534 | Q | 33.7 | Very low | 36.9 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | | | trans | -65.1 | 125.7 | 170 | -77.7 | -174.5 | 33.8 | 0 | 0 | 109.7 | | |
| 535 | Q | 34.5 | Very low | 37 | Very low | 197 Ų | 197 | 150.6 Ų | 150.6 | 92% | 0.921 | 75% | 0.745 | S | S | * | * | | | trans | -114.3 | 117.9 | 174 | -172.2 | 175.2 | -38.6 | 0 | 0 | 107.9 | T533 | T533-Q535 PolarHBondContact O-N 2.96Š|
| 536 | L | 32.3 | Very low | 37 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | trans | -124.6 | 132.3 | -166.3 | -173.7 | 71.7 | 0 | 0 | 0 | 112.5 | | |
| 537 | S | 35.5 | Very low | 37.1 | Very low | 93 Ų | 93 | 146.9 Ų | 146.9 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | | | trans | -175.6 | 149.5 | 166.9 | -87.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 538 | H | 36.1 | Very low | 37.1 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 78% | 0.782 | 74% | 0.735 | S | S | * | * | | | cis | -110.8 | -139.4 | -9.3 | -59.3 | -77.9 | 0 | 0 | 0 | 108.4 | | |
| 539 | H | 35.5 | Very low | 37.1 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | | | cis | -152.8 | 164.5 | 2.4 | -161.9 | -91 | 0 | 0 | 0 | 112 | | |
| 540 | L | 39.7 | Very low | 37 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 59% | 0.586 | 73% | 0.733 | S | S | * | * | | | trans | -92.6 | 179 | -175.2 | -45.5 | -30.8 | 0 | 0 | 0 | 112 | E69 | E69-L540 WeakPolarHBondContact OE1-CD1 3.45Å; E69-L540 WeakPolarHBondContact OE2-CA 3.29Å; E69-L540 WeakPolarHBondContact OE2-CB 3.45Å; E69-L540 WeakPolarHBondContact OE2-CD1 3.28Å; E69-L540 WeakPolarHBondContact OE2-CG 3.3Å |
| 541 | P | 46.6 | Very low | 36.6 | Very low | 60 Ų | 60 | 142.1 Ų | 142.1 | 39% | 0.39 | 74% | 0.739 | S | S | . | * | | | cis | -126.8 | -151.4 | -22.7 | 43 | -24.6 | 0 | 0 | 0 | 111.4 | G68 E69 | G68-P541 PolarHBondContact N-O 3.47Å; E69-P541 VanDerWaalsContact N-C 3.3Å; E69-P541 WeakPolarHBondContact OE2-CA 3.35Å |
| 542 | H | 39.4 | Very low | 36.5 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 52% | 0.523 | 74% | 0.738 | S | S | . | * | | | cis | -153.5 | 142.3 | -6.4 | -121.6 | -16.5 | 0 | 0 | 0 | 113.2 | G68 E69 L70 | G68-H542 WeakPolarHBondContact CA-O 3.44Å; E69-H542 CarbonylContact O-C 3.11Å; E69-H542 WeakPolarHBondContact O-CA 3.47Å; L70-H542 WeakPolarHBondContact CD1-ND1 3.4Å |
| 543 | N | 38 | Very low | 36.5 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 52% | 0.524 | 73% | 0.73 | S | S | . | * | | | trans | 65.1 | 161.3 | 165.2 | -84.9 | -42.2 | 0 | 0 | 0 | 120.1 | E69 | E69-N543 PolarHBondContact O-N 3.35Š|
| 544 | T | 41.8 | Very low | 36.3 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | cis | -158.4 | 147.1 | 4.4 | -3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 545 | T | 39.5 | Very low | 36.1 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 77% | 0.767 | 73% | 0.726 | S | S | * | * | | | | 38.9 | 147.7 | 128.7 | -67.6 | 0 | 0 | 0 | 0 | 125.4 | | |
| 546 | V | 38.8 | Very low | 36.1 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 74% | 0.739 | 72% | 0.718 | S | S | * | * | | | cis | -176 | 172.2 | -28.8 | 99.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 547 | R | 37.1 | Very low | 36.2 | Very low | 227 Ų | 227 | 124.8 Ų | 124.8 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | | | trans | 89.6 | 125.1 | 175.5 | -54 | -167.2 | 173.3 | -179.3 | -3.8 | 116.7 | | |
| 548 | Q | 36.8 | Very low | 36.2 | Very low | 180 Ų | 180 | 124.9 Ų | 124.9 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | | | cis | 98.5 | 115.9 | 13 | -163.3 | -173.2 | 38.3 | 0 | 0 | 116.8 | | |
| 549 | S | 36.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | | | trans | -167 | 143.6 | 157.4 | -77.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 550 | V | 32.1 | Very low | 36.1 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | | | trans | -148.1 | 147.9 | -175.7 | 172.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 551 | L | 34.3 | Very low | 36 | Very low | 163 Ų | 163 | 123.8 Ų | 123.8 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | | | trans | 168 | 127.9 | 153.4 | -87.8 | 155.4 | 0 | 0 | 0 | 106.5 | | |
| 552 | A | 31.7 | Very low | 35.3 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | | | | 71.2 | 137.6 | 70.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 553 | A | 31.7 | Very low | 35.2 | Very low | 85 Ų | 85 | 130.1 Ų | 130.1 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | | | cis | -167.4 | 174.3 | -9.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 554 | S | 31.2 | Very low | 35 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | | | trans | 67 | 156.4 | 161.5 | 73.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 555 | S | 29.6 | Very low | 34.5 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | cis | -169.7 | -177.6 | -21.2 | 49.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 556 | T | 34.1 | Very low | 34 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | trans | 78.4 | 115.8 | 161.4 | 56.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 557 | T | 34.1 | Very low | 33.8 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | | | | 52.3 | 133.9 | 127 | -15.1 | 0 | 0 | 0 | 0 | 119 | | |
| 558 | S | 36.2 | Very low | 33.6 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | | | cis | -163.7 | 151.6 | 39.9 | -41.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 559 | N | 34.7 | Very low | 33.4 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | 39.9 | 118.5 | 142.9 | -53.3 | -5.5 | 0 | 0 | 0 | 122.1 | | |
| 560 | N | 34.8 | Very low | 32.9 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | | | | -169.7 | 151.4 | 100.1 | -96 | -20.5 | 0 | 0 | 0 | 114.1 | | |
| 561 | T | 38.3 | Very low | 33 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 69% | 0.693 | 74% | 0.744 | S | S | * | * | | | trans | -73.9 | 169 | 177.3 | 45.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 562 | F | 31.7 | Very low | 32.7 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 61% | 0.605 | 74% | 0.735 | S | S | * | * | | | cis | -147.7 | 176.9 | 12.3 | -114.8 | 152 | 0 | 0 | 0 | 108.2 | Q564 | F562-Q564 HydrophobicContact CD2-CG 3.91Å; F562-Q564 HydrophobicContact CE2-CG 3.69Å |
| 563 | F | 36.2 | Very low | 32.7 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 73% | 0.732 | 74% | 0.735 | S | S | * | * | | | cis | -129.5 | 147.2 | 10.2 | -79.9 | -71.9 | 0 | 0 | 0 | 108.5 | | |
| 564 | Q | 33.3 | Very low | 32.6 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 58% | 0.575 | 73% | 0.733 | S | S | * | * | | | | 56.7 | 127.4 | 75 | -65.2 | -167.9 | -41.7 | 0 | 0 | 115.6 | F562 | F562-Q564 HydrophobicContact CD2-CG 3.91Å; F562-Q564 HydrophobicContact CE2-CG 3.69Å |
| 565 | Q | 32.3 | Very low | 32.7 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | | | cis | -161.7 | 133.7 | -14.1 | -139.2 | 163.3 | -61.7 | 0 | 0 | 105.4 | | |
| 566 | E | 29.7 | Very low | 32.8 | Very low | 178 Ų | 178 | 132 Ų | 132 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | | | | 58.3 | 140.1 | 57.4 | -57.3 | -137.6 | 129.4 | 0 | 0 | 113.1 | | |
| 567 | S | 33.5 | Very low | 32.5 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | | | cis | -142.5 | 164.6 | 27.5 | -52.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 568 | S | 32.4 | Very low | 32.5 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | | | trans | -74.9 | 156.6 | 155.3 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 569 | D | 33.6 | Very low | 32.3 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | | | trans | -145.6 | 133.8 | 153.5 | -110.4 | -38.3 | 0 | 0 | 0 | 111.6 | | |
| 570 | S | 26.1 | Very low | 32.6 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | -137.9 | 131.6 | 166.9 | 61.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 571 | L | 33.3 | Very low | 32.6 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 85% | 0.853 | 73% | 0.733 | S | S | * | * | | | trans | 172.3 | 112.9 | 148.5 | -96.4 | 162.2 | 0 | 0 | 0 | 113.3 | | |
| 572 | S | 27.6 | Very low | 32.3 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | | | trans | 73.2 | 153.7 | 134.4 | 74.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 573 | L | 31.7 | Very low | 32.4 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | | | trans | 89.8 | 113.2 | 155.6 | -70.8 | 149.3 | 0 | 0 | 0 | 121 | | |
| 574 | N | 31 | Very low | 32.4 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | | | trans | 75.4 | 150.7 | 144.4 | -65.3 | -21.5 | 0 | 0 | 0 | 120.9 | | |
| 575 | Q | 32.6 | Very low | 32.5 | Very low | 161 Ų | 161 | 128 Ų | 128 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | | | cis | -169.3 | 156.6 | -36.5 | -135.1 | -179.8 | 91.8 | 0 | 0 | 110.3 | | |
| 576 | T | 32 | Very low | 32.8 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | | | trans | 73.8 | 91 | 147.4 | -50.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 577 | C | 27.8 | Very low | 33.2 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | | | | 55.7 | 135.6 | 116.6 | -53.1 | 0 | 0 | 0 | 0 | 125.4 | | |
| 578 | S | 34.2 | Very low | 33.4 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | trans | 101.2 | 117.2 | 132.9 | -66.3 | 0 | 0 | 0 | 0 | 123.9 | | |
| 579 | V | 32.5 | Very low | 33.6 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | trans | -13.1 | 156.6 | 137 | -95.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 580 | P | 40.6 | Very low | 33.6 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | | | | -151.2 | -168.1 | 50.5 | 44.1 | -22.4 | 0 | 0 | 0 | 119.3 | | |
| 581 | N | 34.2 | Very low | 34 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | | | trans | -76 | 159.7 | -173.3 | -49 | -28.6 | 0 | 0 | 0 | 115.7 | | |
| 582 | N | 31.5 | Very low | 34.1 | Very low | 135 Ų | 135 | 121.8 Ų | 121.8 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | | | | 136.3 | 138.9 | 102.7 | -144.4 | 5.3 | 0 | 0 | 0 | 118 | | |
| 583 | I | 35 | Very low | 34.5 | Very low | 136 Ų | 136 | 124 Ų | 124 | 70% | 0.697 | 73% | 0.727 | S | S | * | * | | | trans | 80 | 125.6 | 138.8 | -110.5 | 173.7 | 0 | 0 | 0 | 123.3 | | |
| 584 | T | 35.1 | Very low | 34.6 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 64% | 0.644 | 73% | 0.727 | S | S | * | * | | | trans | 78.5 | 100.8 | 140.8 | -58.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 585 | S | 36.2 | Very low | 34.7 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | | | | 65.7 | 170.5 | 128.8 | -52.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 586 | N | 39 | Very low | 34.9 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | | | cis | -158.9 | 146.1 | -4.8 | 26 | -109.6 | 0 | 0 | 0 | 112 | | |
| 587 | N | 37.5 | Very low | 35.1 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | | | trans | 64.7 | 110.5 | 141.4 | -62.5 | 4.7 | 0 | 0 | 0 | 123.2 | | |
| 588 | T | 36.9 | Very low | 35.7 | Very low | 122 Ų | 122 | 120.7 Ų | 120.7 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | | | | 82.3 | 131.5 | 110.1 | -52.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 589 | T | 37.9 | Very low | 35.8 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 73% | 0.73 | 72% | 0.715 | S | S | * | * | | | trans | 95.9 | 102.9 | 144.4 | -87.6 | 0 | 0 | 0 | 0 | 123 | | |
| 590 | T | 32.5 | Very low | 36.1 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | | | | 84 | 97.1 | 116.2 | -51.7 | 0 | 0 | 0 | 0 | 122.9 | | |
| 591 | A | 35.6 | Very low | 35.8 | Very low | 81 Ų | 81 | 123.2 Ų | 123.2 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | | | | 85.3 | 151.2 | 118.4 | 0 | 0 | 0 | 0 | 0 | 126.1 | | |
| 592 | T | 34.3 | Very low | 35.9 | Very low | 125 Ų | 125 | 119.2 Ų | 119.2 | 77% | 0.767 | 70% | 0.704 | S | S | * | * | | | trans | 86 | 128.6 | 141.2 | 33.6 | 0 | 0 | 0 | 0 | 124.7 | | |
| 593 | I | 36.8 | Very low | 36.1 | Very low | 142 Ų | 142 | 121.2 Ų | 121.2 | 73% | 0.728 | 71% | 0.709 | S | S | * | * | | | trans | 87.6 | 93.2 | 140 | -65 | 162.5 | 0 | 0 | 0 | 120.7 | | |
| 594 | T | 32.9 | Very low | 36.3 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 74% | 0.736 | 72% | 0.716 | S | S | * | * | | | | 49.9 | 141.1 | 115.5 | -27.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 595 | T | 34.7 | Very low | 36.3 | Very low | 105 Ų | 105 | 121.3 Ų | 121.3 | 64% | 0.644 | 71% | 0.714 | S | S | * | * | | | trans | 106.8 | 138.3 | 136.1 | -4.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 596 | N | 36.7 | Very low | 36.4 | Very low | 141 Ų | 141 | 123.9 Ų | 123.9 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | | | trans | 75.5 | 153.1 | 155.3 | -64 | -39.2 | 0 | 0 | 0 | 119.6 | | |
| 597 | N | 35.6 | Very low | 36.5 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | | | cis | -169.5 | 159.6 | -33.3 | -161.3 | -16.8 | 0 | 0 | 0 | 108.7 | | |
| 598 | S | 39.7 | Very low | 36.4 | Very low | 74 Ų | 74 | 124 Ų | 124 | 52% | 0.517 | 72% | 0.724 | S | S | . | * | | | trans | 71.3 | 109.3 | 147.6 | -68.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 599 | N | 37.1 | Very low | 36.5 | Very low | 133 Ų | 133 | 121.9 Ų | 121.9 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | | 80.3 | 138 | 111.7 | -60.9 | -6.9 | 0 | 0 | 0 | 123.7 | | |
| 600 | N | 38.9 | Very low | 36.3 | Very low | 127 Ų | 127 | 124 Ų | 124 | 68% | 0.679 | 73% | 0.727 | S | S | * | * | | | trans | 81.8 | 113.5 | 141.9 | -65 | -7.2 | 0 | 0 | 0 | 122 | | |
| 601 | N | 33.3 | Very low | 36.5 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | | | | 54.8 | 146.6 | 113.9 | -49.1 | -9.4 | 0 | 0 | 0 | 121.9 | | |
| 602 | G | 37.4 | Very low | 36.5 | Very low | 59 Ų | 59 | 129.2 Ų | 129.2 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | | | trans | 109.2 | 116.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 603 | E | 35.1 | Very low | 36.4 | Very low | 178 Ų | 178 | 127.8 Ų | 127.8 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | | | cis | 93.9 | 132.4 | 41.1 | 87 | -158.1 | 98.7 | 0 | 0 | 113.6 | | |
| 604 | D | 38.8 | Very low | 36.5 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | | | trans | 62.4 | 158.2 | 171.5 | -73.7 | -16.2 | 0 | 0 | 0 | 120.2 | | |
| 605 | S | 36.1 | Very low | 36.5 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | | | cis | -170.1 | 165.9 | -30.4 | -166.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 606 | L | 38.4 | Very low | 36.4 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | | | trans | 67.2 | 151.4 | 169.8 | -41.9 | 178.9 | 0 | 0 | 0 | 115.9 | | |
| 607 | T | 41.2 | Very low | 36.3 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | | | cis | -150.7 | 149.3 | 27.4 | 51.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 608 | N | 34.5 | Very low | 36.3 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | | | trans | 68.8 | 95.5 | 141.3 | -63.3 | -1.8 | 0 | 0 | 0 | 123.8 | | |
| 609 | G | 39.4 | Very low | 35.8 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | | 102.4 | 149.1 | 126.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 610 | H | 34 | Very low | 35.6 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | | | cis | -161.8 | 150.2 | -12.7 | -168.3 | 32.3 | 0 | 0 | 0 | 109.9 | | |
| 611 | F | 36.7 | Very low | 35.2 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 65% | 0.654 | 75% | 0.751 | S | S | * | * | | | trans | 58.3 | 105.5 | -175.2 | -72.1 | -80.6 | 0 | 0 | 0 | 116.4 | | |
| 612 | Q | 35.5 | Very low | 35.2 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | | | | 87.3 | 102.9 | 67.8 | -175.4 | 171.6 | 99.1 | 0 | 0 | 111.2 | | |
| 613 | S | 32.4 | Very low | 34.9 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | | 75.1 | 142.6 | 57.8 | -170.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 614 | P | 38.7 | Very low | 34.8 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | | | cis | -114.1 | 163.2 | 9.9 | 32.4 | -14.2 | 0 | 0 | 0 | 114.8 | | |
| 615 | V | 33 | Very low | 34.5 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | | | cis | 75.4 | 129.8 | 49.8 | -154.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 616 | S | 31.1 | Very low | 34.3 | Very low | 93 Ų | 93 | 130 Ų | 130 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | | | trans | 70.4 | 143.6 | 171.7 | -55.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 617 | H | 35.9 | Very low | 34 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | | | cis | -150.4 | 152.8 | 36.7 | -86.4 | -84.8 | 0 | 0 | 0 | 115.3 | | |
| 618 | S | 35.5 | Very low | 33.5 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | | | trans | 55.6 | 109.9 | 140.9 | -55.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 619 | N | 28.6 | Very low | 33.4 | Very low | 157 Ų | 157 | 126.1 Ų | 126.1 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | | | | 11.7 | 131.1 | 125.4 | -50.4 | -4.1 | 0 | 0 | 0 | 118.7 | | |
| 620 | V | 34.2 | Very low | 33.2 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 89% | 0.891 | 75% | 0.745 | S | S | * | * | | | | -166.1 | 149.2 | 108.7 | 140.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 621 | S | 28.9 | Very low | 33.3 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -86.9 | 150.1 | -168.2 | -46 | 0 | 0 | 0 | 0 | 115.6 | | |
| 622 | A | 33.8 | Very low | 33.5 | Very low | 88 Ų | 88 | 125.5 Ų | 125.5 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | -146.8 | 126 | 135.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 623 | T | 30.5 | Very low | 33.5 | Very low | 105 Ų | 105 | 125 Ų | 125 | 64% | 0.644 | 75% | 0.746 | S | S | * | * | | | cis | 58.9 | 136.7 | 43.5 | 86.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 624 | N | 33.3 | Very low | 33.7 | Very low | 143 Ų | 143 | 125.2 Ų | 125.2 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | | | cis | -118.7 | 148.7 | 22.9 | -64.2 | -15 | 0 | 0 | 0 | 111.2 | | |
| 625 | T | 32.7 | Very low | 33.7 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | | | cis | 77.1 | 127.1 | 47.5 | -43.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 626 | F | 31.9 | Very low | 34 | Very low | 196 Ų | 196 | 127.4 Ų | 127.4 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | | | trans | -65.6 | -168.9 | 170.3 | -107.8 | -109 | 0 | 0 | 0 | 111.9 | | |
| 627 | T | 32 | Very low | 34.4 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | 87.3 | 152.1 | 162.2 | 75 | 0 | 0 | 0 | 0 | 117.8 | | |
| 628 | T | 31.1 | Very low | 34.4 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | | | trans | -95.7 | 170.5 | -164.6 | 43.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 629 | S | 32.4 | Very low | 34.5 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | | | trans | 89.4 | 124.6 | 144.6 | 82.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 630 | L | 34.7 | Very low | 34.9 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | 62.8 | 143.2 | 143 | -53 | 165.4 | 0 | 0 | 0 | 117.8 | | |
| 631 | T | 35.6 | Very low | 35.3 | Very low | 122 Ų | 122 | 131 Ų | 131 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | cis | -158.3 | 166.3 | -8.2 | 7.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 632 | P | 41.2 | Very low | 35.7 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | -89.9 | 166.5 | -169.5 | 37.1 | -36.9 | 0 | 0 | 0 | 114.4 | | |
| 633 | N | 35.5 | Very low | 35.8 | Very low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | | | | 176.4 | 156 | 113 | -92.5 | -40.3 | 0 | 0 | 0 | 117 | | |
| 634 | S | 37.9 | Very low | 36.4 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | 80.4 | 130 | 147 | -66.5 | 0 | 0 | 0 | 0 | 124.3 | | |
| 635 | D | 37 | Very low | 36.7 | Very low | 116 Ų | 116 | 136 Ų | 136 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | | | trans | 86.9 | 91.2 | 135.8 | -76.7 | -7.9 | 0 | 0 | 0 | 124.6 | | |
| 636 | K | 39.9 | Very low | 37.1 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 70% | 0.7 | 78% | 0.779 | S | S | * | * | | | | 86.2 | 136.1 | 112.2 | -78.3 | -177.1 | -170.6 | 84.2 | 0 | 122.2 | | |
| 637 | T | 39.7 | Very low | 37.5 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | 66.7 | 114.7 | 145.7 | 48.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 638 | P | 36.2 | Very low | 38.1 | Very low | 131 Ų | 131 | 134 Ų | 134 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | trans | -92.5 | 151.9 | 161.2 | 36.6 | -31.9 | 0 | 0 | 0 | 112.6 | | |
| 639 | Q | 37.4 | Very low | 38.5 | Very low | 198 Ų | 198 | 133 Ų | 133 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | -146.1 | 162.1 | 169.3 | -155.7 | 166.9 | 9.6 | 0 | 0 | 112.4 | | |
| 640 | L | 37.3 | Very low | 39.2 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | trans | -85.4 | 165.5 | -164.9 | -101.7 | 66.1 | 0 | 0 | 0 | 115.6 | | |
| 641 | P | 41.7 | Very low | 39.4 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | trans | -100 | 170 | -165.2 | 39.8 | -38 | 0 | 0 | 0 | 116 | | |
| 642 | T | 37.7 | Very low | 39.5 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | | | trans | -139.3 | 116.6 | 174.2 | 45.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 643 | S | 36.7 | Very low | 39.4 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | 32 | 124.2 | 142.9 | 61.1 | 0 | 0 | 0 | 0 | 123.6 | | |
| 644 | S | 41.7 | Very low | 39.7 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | | 179 | 118.8 | 119.4 | -78.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 645 | K | 40.7 | Very low | 39.7 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | | | | 79.4 | 92.9 | 64.1 | -79.5 | -171 | 173.3 | -179.6 | 0 | 115.6 | | |
| 646 | S | 41.5 | Very low | 40 | Very low | 121 Ų | 121 | 151.5 Ų | 151.5 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | trans | -168.7 | 171.2 | 138.8 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 647 | N | 39.6 | Very low | 40 | Very low | 138 Ų | 138 | 148.7 Ų | 148.7 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | | | | -138.8 | 179.5 | -126.7 | -70.9 | -16.4 | 0 | 0 | 0 | 114.6 | | |
| 648 | T | 44.6 | Very low | 40.1 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | 77.3 | 144.8 | 167.8 | 74.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 649 | S | 38.9 | Very low | 40.1 | Very low | 104 Ų | 104 | 147 Ų | 147 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | cis | -164 | 166.8 | -24.5 | -164 | 0 | 0 | 0 | 0 | 111 | | |
| 650 | I | 47.1 | Very low | 40.3 | Very low | 143 Ų | 143 | 144 Ų | 144 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | 85.4 | 118.4 | 153 | -90.5 | 164.3 | 0 | 0 | 0 | 121.2 | | |
| 651 | D | 40.1 | Very low | 40.4 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | | | trans | 64.5 | 66.5 | 142.5 | -50.2 | -20.5 | 0 | 0 | 0 | 123.3 | | |
| 652 | E | 38.2 | Very low | 40.6 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | | 29.7 | 111.1 | 110.4 | -172.9 | 162.4 | -138.6 | 0 | 0 | 121.1 | | |
| 653 | C | 38.7 | Very low | 40.6 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | | -166.6 | 139.6 | 127.6 | -111.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 654 | R | 41.4 | Very low | 40.6 | Very low | 239 Ų | 239 | 147.1 Ų | 147.1 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | 53.5 | 93.5 | 164.8 | -70.2 | -171.2 | 167.2 | 112.6 | -0.1 | 119.6 | | |
| 655 | R | 37.6 | Very low | 40.2 | Very low | 247 Ų | 247 | 148.1 Ų | 148.1 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | | | trans | -141.9 | 116.1 | 142.3 | -107.7 | -168.5 | -71.4 | 157.1 | -4 | 111.3 | | |
| 656 | N | 42.8 | Very low | 40.3 | Very low | 165 Ų | 165 | 144 Ų | 144 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | | | trans | -150.8 | 144.9 | 164.6 | -89.7 | -12.5 | 0 | 0 | 0 | 105.1 | | |
| 657 | S | 40 | Very low | 40.1 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | cis | -143.5 | 134.1 | 6.5 | -164.4 | 0 | 0 | 0 | 0 | 106 | | |
| 658 | V | 42.1 | Very low | 40.1 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 56% | 0.558 | 79% | 0.789 | S | S | * | * | | | | 54.7 | 105 | 64.1 | -172.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 659 | T | 36.6 | Very low | 39.7 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | cis | 70 | 64.2 | 39 | -34.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 660 | N | 40.6 | Very low | 39.6 | Very low | 135 Ų | 135 | 150.9 Ų | 150.9 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -111.1 | 109.3 | 174.3 | -90.5 | -10.5 | 0 | 0 | 0 | 112.2 | | |
| 661 | T | 41 | Very low | 39 | Very low | 139 Ų | 139 | 152.6 Ų | 152.6 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -95.2 | 104.4 | 160.8 | -60 | 0 | 0 | 0 | 0 | 108.1 | | |
| 662 | I | 44.5 | Very low | 38.7 | Very low | 134 Ų | 134 | 154.9 Ų | 154.9 | 69% | 0.687 | 81% | 0.806 | S | S | * | * | | | trans | -132.8 | 119.6 | 173.3 | -62.5 | -177.9 | 0 | 0 | 0 | 109.3 | | |
| 663 | L | 38.9 | Very low | 38.9 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | | | trans | -72.8 | 126.2 | 163.2 | -68.6 | 162.4 | 0 | 0 | 0 | 108.3 | | |
| 664 | N | 36.1 | Very low | 38.8 | Very low | 140 Ų | 140 | 157.7 Ų | 157.7 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | | | trans | -149.4 | 112.7 | 158.5 | -158.9 | 8.4 | 0 | 0 | 0 | 112.8 | | |
| 665 | T | 33.9 | Very low | 38.7 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | | | trans | -83.4 | 114.7 | 169.3 | 43.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 666 | S | 42.3 | Very low | 39.1 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -159.3 | 141.1 | 160.1 | -84.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 667 | N | 37.1 | Very low | 39.3 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | trans | -74.7 | 142.7 | 180 | -59.1 | -38.4 | 0 | 0 | 0 | 111 | | |
| 668 | N | 39.4 | Very low | 39.9 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | | 171.3 | 117.7 | 105.7 | -87.7 | -47.3 | 0 | 0 | 0 | 114.6 | | |
| 669 | R | 35.7 | Very low | 40.2 | Very low | 237 Ų | 237 | 144.2 Ų | 144.2 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | | | | 53.9 | 87.6 | 124.9 | -162.5 | -170.2 | -168.1 | -162.6 | 4.5 | 119.6 | | |
| 670 | S | 37.3 | Very low | 41 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -158.8 | 160.6 | 134.8 | 50 | 0 | 0 | 0 | 0 | 110.8 | | |
| 671 | E | 34.4 | Very low | 41.6 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | | | trans | -97.2 | 176.5 | -170.3 | -66.3 | 150.1 | 104.1 | 0 | 0 | 113 | | |
| 672 | Q | 33.2 | Very low | 42.4 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | | | trans | 65.1 | 81 | 167.1 | -52.4 | -174.2 | 26.2 | 0 | 0 | 118.9 | | |
| 673 | V | 43 | Very low | 43 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -140.2 | 109.8 | 130.6 | -175.6 | 0 | 0 | 0 | 0 | 109 | | |
| 674 | K | 37.3 | Very low | 44.1 | Very low | 219 Ų | 219 | 140.2 Ų | 140.2 | 95% | 0.952 | 75% | 0.745 | S | S | * | * | | | trans | -132.2 | 76.3 | 174.1 | -167.3 | 170.4 | -176.7 | 174.7 | 0 | 111.2 | | |
| 675 | G | 38.1 | Very low | 45.6 | Very low | 62 Ų | 62 | 138.6 Ų | 138.6 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | | | trans | 148.8 | 93.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 676 | S | 46.1 | Very low | 47.4 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | | | trans | -161.6 | -7.5 | 166.7 | -85.5 | 0 | 0 | 0 | 0 | 115.5 | T678 | S676-T678 VanDerWaalsContact C-N 3.35Å; S676-T678 PolarHBondContact O-N 2.92Å |
| 677 | T | 48.2 | Very low | 49.2 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -17.2 | -176.6 | 48 | 0 | 0 | 0 | 0 | 114.8 | | |
| 678 | T | 52.7 | Low | 51.5 | Low | 92 Ų | 92 | 134 Ų | 134 | 56% | 0.564 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -25.5 | -171.4 | -39.2 | 0 | 0 | 0 | 0 | 114.7 | S676 | S676-T678 VanDerWaalsContact C-N 3.35Å; S676-T678 PolarHBondContact O-N 2.92Å |
| 679 | Y | 48.7 | Very low | 53.8 | Low | 188 Ų | 188 | 129.8 Ų | 129.8 | 74% | 0.737 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -95.4 | -23.2 | -165.1 | -68.1 | -71.9 | 0 | 0 | 0 | 115.2 | E681 | Y679-E681 VanDerWaalsContact C-N 3.29Å; Y679-E681 PolarHBondContact O-N 3.47Å |
| 680 | L | 51.8 | Low | 56.4 | Low | 148 Ų | 148 | 122.3 Ų | 122.3 | 78% | 0.775 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -75.6 | -12 | 177.8 | -79.9 | 171.9 | 0 | 0 | 0 | 114.4 | H682 | L680-H682 PolarHBondContact O-N 2.84Š|
| 681 | E | 53.3 | Low | 59 | Low | 96 Ų | 96 | 121.1 Ų | 121.1 | 45% | 0.449 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -76.6 | -4.3 | -176.8 | -136.8 | -162.7 | -162.4 | 0 | 0 | 114.5 | Y679 R691 | Y679-E681 VanDerWaalsContact C-N 3.29Å; Y679-E681 PolarHBondContact O-N 3.47Å; E681-R691 WeakPolarHBondContact OE1-CD 3.32Å; E681-R691 IonicContact OE1-CZ 3.88Å; E681-R691 IonicContact OE1-NE 3.19Å; E681-R691 PolarHBondContact OE1-NE 3.3Å; E681-R691 IonicContact OE1-NH1 3.62Å; E681-R691 PolarHBondContact OE1-NH1 2.72Å; E681-R691 IonicContact OE1-NH2 3.44Å; E681-R691 PolarHBondContact OE1-NH2 2.98Å; E681-R691 IonicContact OE2-CZ 3.2Å; E681-R691 IonicContact OE2-NE 2.64Å; E681-R691 IonicContact OE2-NH2 2.73Å; E681-R691 PolarHBondContact OE2-NH2 3.4Å |
| 682 | H | 57.7 | Low | 61.8 | Low | 151 Ų | 151 | 120 Ų | 120 | 70% | 0.699 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -97.3 | -14.4 | -171.4 | -74.7 | 86.9 | 0 | 0 | 0 | 115.2 | L680 | L680-H682 PolarHBondContact O-N 2.84Š|
| 683 | L | 58.8 | Low | 64.6 | Low | 155 Ų | 155 | 116.2 Ų | 116.2 | 81% | 0.812 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -107.9 | -1.8 | -172.7 | -68.2 | 175.6 | 0 | 0 | 0 | 115 | | |
| 684 | N | 61.5 | Low | 66.9 | Low | 79 Ų | 79 | 114.1 Ų | 114.1 | 42% | 0.422 | 58% | 0.581 | S | S | . | * | | | trans | -109.2 | 102.5 | 172.7 | -174.4 | -25.3 | 0 | 0 | 0 | 110.1 | E686 S687 K688 | N684-E686 VanDerWaalsContact C-N 3.3Å; N684-E686 PolarHBondContact O-N 2.63Å; N684-E686 WeakPolarHBondContact OD1-CA 3.41Å; N684-E686 VanDerWaalsContact OD1-CB 3.32Å; N684-E686 WeakPolarHBondContact OD1-CB 3.16Å; N684-E686 PolarHBondContact OD1-N 3.29Å; N684-S687 WeakPolarHBondContact O-CB 3.41Å; N684-S687 PolarHBondContact O-N 3.14Å; N684-S687 PolarHBondContact OD1-N 2.89Å; N684-K688 PolarHBondContact O-N 3.13Å |
| 685 | P | 66.3 | Low | 69.6 | Low | 105 Ų | 105 | 107.1 Ų | 107.1 | 68% | 0.682 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.2 | -33.7 | 179.9 | 26.4 | -33.5 | 0 | 0 | 0 | 112.2 | S687 K688 D689 | P685-S687 VanDerWaalsContact C-N 3.33Å; P685-S687 PolarHBondContact O-N 2.96Å; P685-K688 WeakPolarHBondContact O-CB 3.36Å; P685-K688 PolarHBondContact O-N 3.26Å; P685-D689 WeakPolarHBondContact O-CB 3.34Å; P685-D689 PolarHBondContact O-N 3.42Å |
| 686 | E | 72.9 | Confident | 72.4 | Confident | 137 Ų | 137 | 110.1 Ų | 110.1 | 64% | 0.64 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.1 | -34.8 | 177.2 | -167.5 | 175.7 | -169.2 | 0 | 0 | 111.7 | N684 D689 I690 | N684-E686 VanDerWaalsContact C-N 3.3Å; N684-E686 PolarHBondContact O-N 2.63Å; N684-E686 WeakPolarHBondContact OD1-CA 3.41Å; N684-E686 VanDerWaalsContact OD1-CB 3.32Å; N684-E686 WeakPolarHBondContact OD1-CB 3.16Å; N684-E686 PolarHBondContact OD1-N 3.29Å; E686-D689 PolarHBondContact O-N 3.37Å; E686-I690 WeakPolarHBondContact O-CG2 3.33Å; E686-I690 PolarHBondContact O-N 3Å |
| 687 | S | 78.9 | Confident | 74.8 | Confident | 38 Ų | 38 | 110.8 Ų | 110.8 | 27% | 0.266 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.2 | -41.4 | 170.8 | -175.7 | 0 | 0 | 0 | 0 | 112 | N684 P685 D689 I690 R691 | N684-S687 WeakPolarHBondContact O-CB 3.41Å; N684-S687 PolarHBondContact O-N 3.14Å; N684-S687 PolarHBondContact OD1-N 2.89Å; P685-S687 VanDerWaalsContact C-N 3.33Å; P685-S687 PolarHBondContact O-N 2.96Å; S687-D689 VanDerWaalsContact C-N 3.29Å; S687-D689 PolarHBondContact O-N 3.11Å; S687-I690 VanDerWaalsContact O-CG2 3.26Å; S687-I690 WeakPolarHBondContact O-CG2 3.31Å; S687-R691 WeakPolarHBondContact O-CG 3.44Å; S687-R691 PolarHBondContact O-N 2.97Å; S687-R691 PolarHBondContact O-NH1 2.89Å; S687-R691 PolarHBondContact OG-NH1 3.38Å |
| 688 | K | 85.4 | Confident | 77.1 | Confident | 118 Ų | 118 | 107.1 Ų | 107.1 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.8 | -34.5 | 175.1 | -172.8 | 173.5 | -176.5 | 171.5 | 0 | 111.6 | N684 P685 R692 | N684-K688 PolarHBondContact O-N 3.13Å; P685-K688 WeakPolarHBondContact O-CB 3.36Å; P685-K688 PolarHBondContact O-N 3.26Å; K688-R692 WeakPolarHBondContact O-CG 3.44Å; K688-R692 PolarHBondContact O-N 2.84Å |
| 689 | D | 89.2 | Confident | 79.2 | Confident | 61 Ų | 61 | 107 Ų | 107 | 33% | 0.326 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -78.3 | -37.6 | -177.4 | -159.2 | 41.2 | 0 | 0 | 0 | 113.3 | P685 E686 S687 R691 R692 R693 | P685-D689 WeakPolarHBondContact O-CB 3.34Å; P685-D689 PolarHBondContact O-N 3.42Å; E686-D689 PolarHBondContact O-N 3.37Å; S687-D689 VanDerWaalsContact C-N 3.29Å; S687-D689 PolarHBondContact O-N 3.11Å; D689-R691 VanDerWaalsContact C-N 3.34Å; D689-R691 PolarHBondContact O-N 3.49Å; D689-R692 WeakPolarHBondContact O-CB 3.28Å; D689-R692 PolarHBondContact O-N 2.81Å; D689-R693 PolarHBondContact O-N 3.46Å; D689-R693 IonicContact OD2-CZ 3.9Å; D689-R693 IonicContact OD2-NH1 3.77Å; D689-R693 PolarHBondContact OD2-NH1 2.95Å; D689-R693 IonicContact OD2-NH2 2.72Å |
| 690 | I | 90.2 | Very high | 81.5 | Confident | 80 Ų | 80 | 99.7 Ų | 99.7 | 41% | 0.41 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 170.2 | -169.9 | 61 | 0 | 0 | 0 | 111.6 | E686 S687 R692 R693 V694 | E686-I690 WeakPolarHBondContact O-CG2 3.33Å; E686-I690 PolarHBondContact O-N 3Å; S687-I690 VanDerWaalsContact O-CG2 3.26Å; S687-I690 WeakPolarHBondContact O-CG2 3.31Å; I690-R692 VanDerWaalsContact C-N 3.3Å; I690-R692 PolarHBondContact O-N 3.43Å; I690-R693 HydrophobicContact CD1-CB 4.43Å; I690-R693 PolarHBondContact O-N 2.93Å; I690-V694 HydrophobicContact CD1-CG2 4.29Å; I690-V694 HydrophobicContact CG1-CG2 4.3Å; I690-V694 WeakPolarHBondContact O-CB 3.32Å; I690-V694 WeakPolarHBondContact O-CG2 3.23Å; I690-V694 PolarHBondContact O-N 3.07Å |
| 691 | R | 91.4 | Very high | 83.7 | Confident | 94 Ų | 94 | 97.3 Ų | 97.3 | 36% | 0.355 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 172.6 | -69.9 | -165.2 | -55.3 | -82 | 25.3 | 112 | E681 S687 D689 S695 | E681-R691 WeakPolarHBondContact OE1-CD 3.32Å; E681-R691 IonicContact OE1-CZ 3.88Å; E681-R691 IonicContact OE1-NE 3.19Å; E681-R691 PolarHBondContact OE1-NE 3.3Å; E681-R691 IonicContact OE1-NH1 3.62Å; E681-R691 PolarHBondContact OE1-NH1 2.72Å; E681-R691 IonicContact OE1-NH2 3.44Å; E681-R691 PolarHBondContact OE1-NH2 2.98Å; E681-R691 IonicContact OE2-CZ 3.2Å; E681-R691 IonicContact OE2-NE 2.64Å; E681-R691 IonicContact OE2-NH2 2.73Å; E681-R691 PolarHBondContact OE2-NH2 3.4Å; S687-R691 WeakPolarHBondContact O-CG 3.44Å; S687-R691 PolarHBondContact O-N 2.97Å; S687-R691 PolarHBondContact O-NH1 2.89Å; S687-R691 PolarHBondContact OG-NH1 3.38Å; D689-R691 VanDerWaalsContact C-N 3.34Å; D689-R691 PolarHBondContact O-N 3.49Å; R691-S695 WeakPolarHBondContact O-CB 3.46Å; R691-S695 PolarHBondContact O-N 2.97Å; R691-S695 VanDerWaalsContact O-N 3.1Å |
| 692 | R | 92.6 | Very high | 85.8 | Confident | 156 Ų | 156 | 99.2 Ų | 99.2 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.4 | -48.9 | 173.1 | -73 | 167.4 | 165 | 177.3 | -8.1 | 112.1 | K688 D689 I690 V694 S695 H696 | K688-R692 WeakPolarHBondContact O-CG 3.44Å; K688-R692 PolarHBondContact O-N 2.84Å; D689-R692 WeakPolarHBondContact O-CB 3.28Å; D689-R692 PolarHBondContact O-N 2.81Å; I690-R692 VanDerWaalsContact C-N 3.3Å; I690-R692 PolarHBondContact O-N 3.43Å; R692-V694 PolarHBondContact O-N 3.39Å; R692-S695 PolarHBondContact O-N 3.24Å; R692-H696 WeakPolarHBondContact O-CB 3.34Å; R692-H696 PolarHBondContact O-N 3.41Å |
| 693 | R | 93 | Very high | 87.7 | Confident | 107 Ų | 107 | 98 Ų | 98 | 40% | 0.404 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 177.5 | -75.9 | -169.3 | -78 | -91.6 | -3 | 112.4 | D689 I690 H696 N697 | D689-R693 PolarHBondContact O-N 3.46Å; D689-R693 IonicContact OD2-CZ 3.9Å; D689-R693 IonicContact OD2-NH1 3.77Å; D689-R693 PolarHBondContact OD2-NH1 2.95Å; D689-R693 IonicContact OD2-NH2 2.72Å; I690-R693 HydrophobicContact CD1-CB 4.43Å; I690-R693 PolarHBondContact O-N 2.93Å; R693-H696 PolarHBondContact O-N 3.13Å; R693-N697 WeakPolarHBondContact O-CB 3.36Å; R693-N697 PolarHBondContact O-N 3.22Å |
| 694 | V | 91.8 | Very high | 89.5 | Confident | 90 Ų | 90 | 96.5 Ų | 96.5 | 55% | 0.545 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 178 | 171 | 0 | 0 | 0 | 0 | 111.2 | I690 R692 N697 E698 | I690-V694 HydrophobicContact CD1-CG2 4.29Å; I690-V694 HydrophobicContact CG1-CG2 4.3Å; I690-V694 WeakPolarHBondContact O-CB 3.32Å; I690-V694 WeakPolarHBondContact O-CG2 3.23Å; I690-V694 PolarHBondContact O-N 3.07Å; R692-V694 PolarHBondContact O-N 3.39Å; V694-N697 PolarHBondContact O-N 3.09Å; V694-E698 PolarHBondContact O-N 2.88Å |
| 695 | S | 94 | Very high | 91.2 | Very high | 73 Ų | 73 | 95.6 Ų | 95.6 | 51% | 0.51 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 176.2 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | R691 R692 N697 E698 V699 | R691-S695 WeakPolarHBondContact O-CB 3.46Å; R691-S695 PolarHBondContact O-N 2.97Å; R691-S695 VanDerWaalsContact O-N 3.1Å; R692-S695 PolarHBondContact O-N 3.24Å; S695-N697 PolarHBondContact O-N 3.45Å; S695-E698 PolarHBondContact O-N 2.94Å; S695-V699 WeakPolarHBondContact O-CG2 3.17Å; S695-V699 PolarHBondContact O-N 3.04Å |
| 696 | H | 95.7 | Very high | 92.6 | Very high | 124 Ų | 124 | 96.9 Ų | 96.9 | 57% | 0.574 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.3 | -46.3 | 176 | 178.4 | 78.1 | 0 | 0 | 0 | 112.1 | R692 R693 E698 V699 E700 | R692-H696 WeakPolarHBondContact O-CB 3.34Å; R692-H696 PolarHBondContact O-N 3.41Å; R693-H696 PolarHBondContact O-N 3.13Å; H696-E698 VanDerWaalsContact C-N 3.34Å; H696-E698 PolarHBondContact O-N 3.05Å; H696-V699 PolarHBondContact O-N 3.31Å; H696-E700 WeakPolarHBondContact O-CB 3.36Å; H696-E700 PolarHBondContact O-N 2.97Å |
| 697 | N | 96.9 | Very high | 93.6 | Very high | 100 Ų | 100 | 93.5 Ų | 93.5 | 54% | 0.535 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 179.8 | -72.5 | -7.9 | 0 | 0 | 0 | 112.7 | R693 V694 S695 R701 | R693-N697 WeakPolarHBondContact O-CB 3.36Å; R693-N697 PolarHBondContact O-N 3.22Å; V694-N697 PolarHBondContact O-N 3.09Å; S695-N697 PolarHBondContact O-N 3.45Å; N697-R701 WeakPolarHBondContact O-CB 3.37Å; N697-R701 PolarHBondContact O-N 3.42Å |
| 698 | E | 96.7 | Very high | 94.4 | Very high | 58 Ų | 58 | 94.4 Ų | 94.4 | 27% | 0.271 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -73.5 | -39.1 | 176.1 | 173.4 | 57.9 | -170.6 | 0 | 0 | 112.5 | V694 S695 H696 E700 R701 R702 | V694-E698 PolarHBondContact O-N 2.88Å; S695-E698 PolarHBondContact O-N 2.94Å; H696-E698 VanDerWaalsContact C-N 3.34Å; H696-E698 PolarHBondContact O-N 3.05Å; E698-E700 VanDerWaalsContact C-N 3.32Å; E698-E700 PolarHBondContact O-N 2.77Å; E698-R701 PolarHBondContact O-N 2.93Å; E698-R701 IonicContact OE1-CZ 3.29Å; E698-R701 IonicContact OE1-NE 3.93Å; E698-R701 IonicContact OE1-NH2 2.7Å; E698-R701 PolarHBondContact OE1-NH2 3.12Å; E698-R701 IonicContact OE2-CZ 3.29Å; E698-R701 IonicContact OE2-NE 2.67Å; E698-R701 PolarHBondContact OE2-NE 3.25Å; E698-R701 IonicContact OE2-NH2 3.51Å; E698-R701 PolarHBondContact OE2-NH2 3.09Å; E698-R702 WeakPolarHBondContact O-CG 3.27Å; E698-R702 PolarHBondContact O-N 3.2Å; E698-R702 IonicContact OE1-CZ 3.39Å; E698-R702 IonicContact OE1-NE 2.66Å; E698-R702 PolarHBondContact OE1-NE 2.98Å; E698-R702 IonicContact OE1-NH2 2.82Å; E698-R702 PolarHBondContact OE1-NH2 3.41Å |
| 699 | V | 96.5 | Very high | 94.8 | Very high | 89 Ų | 89 | 92.4 Ų | 92.4 | 54% | 0.539 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 171.9 | 167.9 | 0 | 0 | 0 | 0 | 110.6 | S695 H696 R702 R703 | S695-V699 WeakPolarHBondContact O-CG2 3.17Å; S695-V699 PolarHBondContact O-N 3.04Å; H696-V699 PolarHBondContact O-N 3.31Å; V699-R702 PolarHBondContact O-N 3.32Å; V699-R703 PolarHBondContact O-N 3.26Å |
| 700 | E | 97.2 | Very high | 95.1 | Very high | 34 Ų | 34 | 97.7 Ų | 97.7 | 16% | 0.159 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -69.4 | -37.2 | 178.1 | -177.2 | 52.9 | -151.6 | 0 | 0 | 112.1 | H696 E698 R702 R703 R704 | H696-E700 WeakPolarHBondContact O-CB 3.36Å; H696-E700 PolarHBondContact O-N 2.97Å; E698-E700 VanDerWaalsContact C-N 3.32Å; E698-E700 PolarHBondContact O-N 2.77Å; E700-R702 PolarHBondContact O-N 3.36Å; E700-R703 VanDerWaalsContact CD-CZ 3.43Å; E700-R703 VanDerWaalsContact CD-NH1 3.27Å; E700-R703 WeakPolarHBondContact O-CB 3.33Å; E700-R703 PolarHBondContact O-N 3.22Å; E700-R703 VanDerWaalsContact O-N 3.1Å; E700-R703 IonicContact OE1-CZ 2.68Å; E700-R703 IonicContact OE1-NE 3.27Å; E700-R703 PolarHBondContact OE1-NE 3.25Å; E700-R703 IonicContact OE1-NH1 3Å; E700-R703 PolarHBondContact OE1-NH1 2.81Å; E700-R703 IonicContact OE1-NH2 2.7Å; E700-R703 PolarHBondContact OE1-NH2 3.01Å; E700-R703 WeakPolarHBondContact OE2-CD 3.32Å; E700-R703 IonicContact OE2-CZ 3.73Å; E700-R703 IonicContact OE2-NE 3.26Å; E700-R703 PolarHBondContact OE2-NE 2.67Å; E700-R703 IonicContact OE2-NH1 3.11Å; E700-R703 PolarHBondContact OE2-NH1 3.33Å; E700-R704 WeakPolarHBondContact O-CG 3.5Å; E700-R704 PolarHBondContact O-N 3.09Å |
| 701 | R | 97.2 | Very high | 95.2 | Very high | 99 Ų | 99 | 94.9 Ų | 94.9 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -55.4 | -51.7 | 170.9 | -165.9 | -171 | 65.4 | 65.8 | 12.3 | 110.4 | N697 E698 R703 R704 D705 | N697-R701 WeakPolarHBondContact O-CB 3.37Å; N697-R701 PolarHBondContact O-N 3.42Å; E698-R701 PolarHBondContact O-N 2.93Å; E698-R701 IonicContact OE1-CZ 3.29Å; E698-R701 IonicContact OE1-NE 3.93Å; E698-R701 IonicContact OE1-NH2 2.7Å; E698-R701 PolarHBondContact OE1-NH2 3.12Å; E698-R701 IonicContact OE2-CZ 3.29Å; E698-R701 IonicContact OE2-NE 2.67Å; E698-R701 PolarHBondContact OE2-NE 3.25Å; E698-R701 IonicContact OE2-NH2 3.51Å; E698-R701 PolarHBondContact OE2-NH2 3.09Å; R701-R703 VanDerWaalsContact C-N 3.26Å; R701-R703 PolarHBondContact O-N 3.06Å; R701-R704 PolarHBondContact O-N 3.04Å; R701-R704 VanDerWaalsContact O-N 3.14Å; R701-D705 IonicContact CZ-OD2 3.25Å; R701-D705 IonicContact NH1-OD1 3.21Å; R701-D705 IonicContact NH1-OD2 3.79Å; R701-D705 PolarHBondContact NH1-OD2 2.84Å; R701-D705 IonicContact NH2-OD2 3.35Å; R701-D705 PolarHBondContact O-N 3.39Å |
| 702 | R | 97.5 | Very high | 95.1 | Very high | 136 Ų | 136 | 93.6 Ų | 93.6 | 51% | 0.513 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.4 | -30.2 | 175.9 | -65.8 | 175.3 | -167 | -168.8 | 3.8 | 113.3 | E698 V699 E700 R706 | E698-R702 WeakPolarHBondContact O-CG 3.27Å; E698-R702 PolarHBondContact O-N 3.2Å; E698-R702 IonicContact OE1-CZ 3.39Å; E698-R702 IonicContact OE1-NE 2.66Å; E698-R702 PolarHBondContact OE1-NE 2.98Å; E698-R702 IonicContact OE1-NH2 2.82Å; E698-R702 PolarHBondContact OE1-NH2 3.41Å; V699-R702 PolarHBondContact O-N 3.32Å; E700-R702 PolarHBondContact O-N 3.36Å; R702-R706 WeakPolarHBondContact O-CG 3.28Å; R702-R706 PolarHBondContact O-N 3.09Å; R702-R706 PolarHBondContact O-NH1 3.42Å |
| 703 | R | 98 | Very high | 95.1 | Very high | 126 Ų | 126 | 90.3 Ų | 90.3 | 48% | 0.475 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.1 | -48.6 | 173.8 | -162.2 | -166.6 | 89.3 | -164.2 | 11.2 | 110.8 | V699 E700 R701 D705 R706 I707 | V699-R703 PolarHBondContact O-N 3.26Å; E700-R703 VanDerWaalsContact CD-CZ 3.43Å; E700-R703 VanDerWaalsContact CD-NH1 3.27Å; E700-R703 WeakPolarHBondContact O-CB 3.33Å; E700-R703 PolarHBondContact O-N 3.22Å; E700-R703 VanDerWaalsContact O-N 3.1Å; E700-R703 IonicContact OE1-CZ 2.68Å; E700-R703 IonicContact OE1-NE 3.27Å; E700-R703 PolarHBondContact OE1-NE 3.25Å; E700-R703 IonicContact OE1-NH1 3Å; E700-R703 PolarHBondContact OE1-NH1 2.81Å; E700-R703 IonicContact OE1-NH2 2.7Å; E700-R703 PolarHBondContact OE1-NH2 3.01Å; E700-R703 WeakPolarHBondContact OE2-CD 3.32Å; E700-R703 IonicContact OE2-CZ 3.73Å; E700-R703 IonicContact OE2-NE 3.26Å; E700-R703 PolarHBondContact OE2-NE 2.67Å; E700-R703 IonicContact OE2-NH1 3.11Å; E700-R703 PolarHBondContact OE2-NH1 3.33Å; R701-R703 VanDerWaalsContact C-N 3.26Å; R701-R703 PolarHBondContact O-N 3.06Å; R703-D705 VanDerWaalsContact C-N 3.34Å; R703-D705 PolarHBondContact O-N 3.4Å; R703-R706 PolarHBondContact O-N 3.32Å; R703-I707 HydrophobicContact CG-CD1 4.24Å; R703-I707 WeakPolarHBondContact O-CG1 3.36Å; R703-I707 PolarHBondContact O-N 2.9Å; R703-I707 VanDerWaalsContact O-N 3.13Å |
| 704 | R | 97.1 | Very high | 95 | Very high | 122 Ų | 122 | 87.8 Ų | 87.8 | 46% | 0.46 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 176.2 | -64.7 | -173.9 | -54.7 | -111.2 | 3.7 | 111.6 | E700 R701 I707 N708 | E700-R704 WeakPolarHBondContact O-CG 3.5Å; E700-R704 PolarHBondContact O-N 3.09Å; R701-R704 PolarHBondContact O-N 3.04Å; R701-R704 VanDerWaalsContact O-N 3.14Å; R704-I707 PolarHBondContact O-N 3.5Å; R704-N708 PolarHBondContact O-N 3.01Å; R704-N708 PolarHBondContact O-ND2 3.41Å; R704-N708 PolarHBondContact O-OD1 3.06Å |
| 705 | D | 96.3 | Very high | 94.9 | Very high | 60 Ų | 60 | 86.2 Ų | 86.2 | 32% | 0.321 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.7 | -50.6 | 177.6 | -60.9 | -19.7 | 0 | 0 | 0 | 111.2 | R701 R703 I707 N708 T709 | R701-D705 IonicContact CZ-OD2 3.25Å; R701-D705 IonicContact NH1-OD1 3.21Å; R701-D705 IonicContact NH1-OD2 3.79Å; R701-D705 PolarHBondContact NH1-OD2 2.84Å; R701-D705 IonicContact NH2-OD2 3.35Å; R701-D705 PolarHBondContact O-N 3.39Å; R703-D705 VanDerWaalsContact C-N 3.34Å; R703-D705 PolarHBondContact O-N 3.4Å; D705-I707 VanDerWaalsContact C-N 3.35Å; D705-I707 PolarHBondContact O-N 3.34Å; D705-N708 WeakPolarHBondContact O-CB 3.2Å; D705-N708 PolarHBondContact O-N 3.49Å; D705-N708 VanDerWaalsContact O-N 3.12Å; D705-T709 PolarHBondContact O-N 2.86Å; D705-T709 PolarHBondContact O-OG1 3.33Å |
| 706 | R | 96 | Very high | 94.6 | Very high | 132 Ų | 132 | 88.4 Ų | 88.4 | 50% | 0.498 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 177 | -70.3 | -169.8 | -57.2 | -86.4 | 5.4 | 113 | R702 R703 N708 T709 W710 | R702-R706 WeakPolarHBondContact O-CG 3.28Å; R702-R706 PolarHBondContact O-N 3.09Å; R702-R706 PolarHBondContact O-NH1 3.42Å; R703-R706 PolarHBondContact O-N 3.32Å; R706-N708 VanDerWaalsContact C-N 3.31Å; R706-N708 PolarHBondContact O-N 3.25Å; R706-T709 PolarHBondContact O-N 3.49Å; R706-W710 PolarHBondContact O-N 3.49Å |
| 707 | I | 94.8 | Very high | 94.3 | Very high | 66 Ų | 66 | 87.2 Ų | 87.2 | 34% | 0.338 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 175.9 | -68.6 | 164.9 | 0 | 0 | 0 | 110.4 | R703 R704 D705 W710 I711 | R703-I707 HydrophobicContact CG-CD1 4.24Å; R703-I707 WeakPolarHBondContact O-CG1 3.36Å; R703-I707 PolarHBondContact O-N 2.9Å; R703-I707 VanDerWaalsContact O-N 3.13Å; R704-I707 PolarHBondContact O-N 3.5Å; D705-I707 VanDerWaalsContact C-N 3.35Å; D705-I707 PolarHBondContact O-N 3.34Å; I707-W710 PolarHBondContact O-N 3.26Å; I707-I711 HydrophobicContact CG2-CD1 3.84Å; I707-I711 VanDerWaalsContact O-CG1 3.29Å; I707-I711 WeakPolarHBondContact O-CG1 3.4Å; I707-I711 PolarHBondContact O-N 3.43Å |
| 708 | N | 94.8 | Very high | 93.9 | Very high | 57 Ų | 57 | 82.8 Ų | 82.8 | 31% | 0.305 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 175.5 | -60 | -23.1 | 0 | 0 | 0 | 111.2 | R704 D705 R706 W710 I711 S712 K731 | R704-N708 PolarHBondContact O-N 3.01Å; R704-N708 PolarHBondContact O-ND2 3.41Å; R704-N708 PolarHBondContact O-OD1 3.06Å; D705-N708 WeakPolarHBondContact O-CB 3.2Å; D705-N708 PolarHBondContact O-N 3.49Å; D705-N708 VanDerWaalsContact O-N 3.12Å; R706-N708 VanDerWaalsContact C-N 3.31Å; R706-N708 PolarHBondContact O-N 3.25Å; N708-W710 PolarHBondContact O-N 3.19Å; N708-I711 PolarHBondContact O-N 2.98Å; N708-S712 PolarHBondContact O-N 3.32Å; N708-S712 PolarHBondContact O-OG 3.37Å; N708-K731 WeakPolarHBondContact OD1-CE 3.47Å; N708-K731 PolarHBondContact OD1-NZ 3.38Å |
| 709 | T | 94.9 | Very high | 93.4 | Very high | 77 Ų | 77 | 81.5 Ų | 81.5 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.8 | -49.3 | 175.2 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | D705 R706 I711 S712 E713 | D705-T709 PolarHBondContact O-N 2.86Å; D705-T709 PolarHBondContact O-OG1 3.33Å; R706-T709 PolarHBondContact O-N 3.49Å; T709-I711 VanDerWaalsContact C-N 3.34Å; T709-I711 PolarHBondContact O-N 2.79Å; T709-S712 WeakPolarHBondContact O-CB 2.74Å; T709-S712 PolarHBondContact O-N 3.17Å; T709-S712 VanDerWaalsContact O-N 3.13Å; T709-E713 WeakPolarHBondContact O-CG 3.35Å; T709-E713 PolarHBondContact O-N 3.18Å |
| 710 | W | 95.3 | Very high | 92.5 | Very high | 171 Ų | 171 | 81.6 Ų | 81.6 | 65% | 0.648 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.1 | -35.4 | 179 | -66.8 | -19.3 | 0 | 0 | 0 | 113.3 | R706 I707 N708 S712 E713 L714 | R706-W710 PolarHBondContact O-N 3.49Å; I707-W710 PolarHBondContact O-N 3.26Å; N708-W710 PolarHBondContact O-N 3.19Å; W710-S712 VanDerWaalsContact C-N 3.34Å; W710-E713 PolarHBondContact O-N 3.5Å; W710-L714 WeakPolarHBondContact O-CB 3.28Å; W710-L714 VanDerWaalsContact O-CG 3.28Å; W710-L714 WeakPolarHBondContact O-CG 3.49Å; W710-L714 PolarHBondContact O-N 3.21Å |
| 711 | I | 91.8 | Very high | 91.3 | Very high | 21 Ų | 21 | 85.3 Ų | 85.3 | 11% | 0.108 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 173 | -68 | 164.5 | 0 | 0 | 0 | 110.9 | I707 N708 T709 L714 Y715 K731 V734 | I707-I711 HydrophobicContact CG2-CD1 3.84Å; I707-I711 VanDerWaalsContact O-CG1 3.29Å; I707-I711 WeakPolarHBondContact O-CG1 3.4Å; I707-I711 PolarHBondContact O-N 3.43Å; N708-I711 PolarHBondContact O-N 2.98Å; T709-I711 VanDerWaalsContact C-N 3.34Å; T709-I711 PolarHBondContact O-N 2.79Å; I711-L714 PolarHBondContact O-N 2.72Å; I711-Y715 WeakPolarHBondContact O-CB 3.44Å; I711-Y715 PolarHBondContact O-N 3.06Å; I711-K731 HydrophobicContact CD1-CB 4.13Å; I711-K731 HydrophobicContact CD1-CD 3.86Å; I711-K731 HydrophobicContact CD1-CG 4.04Å; I711-V734 HydrophobicContact CG2-CB 4.13Å; I711-V734 HydrophobicContact CG2-CG1 3.99Å; I711-V734 HydrophobicContact CG2-CG2 4.34Å |
| 712 | S | 89.4 | Confident | 90 | Very high | 67 Ų | 67 | 83 Ų | 83 | 47% | 0.469 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.1 | -35.7 | 174.2 | -63 | 0 | 0 | 0 | 0 | 113.1 | N708 T709 W710 K716 | N708-S712 PolarHBondContact O-N 3.32Å; N708-S712 PolarHBondContact O-OG 3.37Å; T709-S712 WeakPolarHBondContact O-CB 2.74Å; T709-S712 PolarHBondContact O-N 3.17Å; T709-S712 VanDerWaalsContact O-N 3.13Å; W710-S712 VanDerWaalsContact C-N 3.34Å; S712-K716 WeakPolarHBondContact O-CG 3.29Å; S712-K716 PolarHBondContact O-N 3.05Å |
| 713 | E | 91.6 | Very high | 88.5 | Confident | 87 Ų | 87 | 79 Ų | 79 | 41% | 0.407 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.8 | -42.3 | 173.4 | -62.5 | -46.3 | 128.5 | 0 | 0 | 111.7 | T709 W710 Y715 K716 | T709-E713 WeakPolarHBondContact O-CG 3.35Å; T709-E713 PolarHBondContact O-N 3.18Å; W710-E713 PolarHBondContact O-N 3.5Å; E713-Y715 VanDerWaalsContact C-N 3.29Å; E713-Y715 PolarHBondContact O-N 2.92Å; E713-K716 WeakPolarHBondContact O-CB 3.25Å; E713-K716 PolarHBondContact O-N 3.44Å; E713-K716 VanDerWaalsContact O-N 3.17Å; E713-K716 IonicContact OE1-NZ 2.76Å; E713-K716 PolarHBondContact OE1-NZ 2.99Å; E713-K716 WeakPolarHBondContact OE2-CE 3.48Å; E713-K716 IonicContact OE2-NZ 2.99Å; E713-K716 PolarHBondContact OE2-NZ 2.87Å |
| 714 | L | 91.4 | Very high | 86.7 | Confident | 54 Ų | 54 | 78.1 Ų | 78.1 | 28% | 0.283 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -37.3 | 175.2 | -72.7 | 175.1 | 0 | 0 | 0 | 112.3 | W710 I711 K716 L717 L735 V738 | W710-L714 WeakPolarHBondContact O-CB 3.28Å; W710-L714 VanDerWaalsContact O-CG 3.28Å; W710-L714 WeakPolarHBondContact O-CG 3.49Å; W710-L714 PolarHBondContact O-N 3.21Å; I711-L714 PolarHBondContact O-N 2.72Å; L714-K716 VanDerWaalsContact C-N 3.32Å; L714-K716 PolarHBondContact O-N 3.31Å; L714-L717 HydrophobicContact CD2-CD1 4.29Å; L714-L717 WeakPolarHBondContact O-CB 3.4Å; L714-L717 PolarHBondContact O-N 3.39Å; L714-L717 VanDerWaalsContact O-N 3.16Å; L714-L735 HydrophobicContact CD1-CD2 4.13Å; L714-V738 HydrophobicContact CB-CG1 4.49Å; L714-V738 HydrophobicContact CB-CG2 4.17Å; L714-V738 HydrophobicContact CD2-CG1 4.27Å |
| 715 | Y | 89.1 | Confident | 85 | Confident | 58 Ų | 58 | 78.8 Ų | 78.8 | 23% | 0.227 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.2 | -38 | 175.3 | 175.4 | -104.7 | 0 | 0 | 0 | 112.9 | I711 E713 L717 L718 Q723 Q729 V734 | I711-Y715 WeakPolarHBondContact O-CB 3.44Å; I711-Y715 PolarHBondContact O-N 3.06Å; E713-Y715 VanDerWaalsContact C-N 3.29Å; E713-Y715 PolarHBondContact O-N 2.92Å; Y715-L717 PolarHBondContact O-N 3.44Å; Y715-L718 HydrophobicContact CD2-CD1 4.05Å; Y715-L718 WeakPolarHBondContact O-CB 3.3Å; Y715-L718 PolarHBondContact O-N 2.81Å; Y715-Q723 HydrophobicContact CE1-CB 4.34Å; Y715-Q723 HydrophobicContact CE1-CG 4.24Å; Y715-Q723 HydrophobicContact CE2-CB 4.13Å; Y715-Q723 HydrophobicContact CE2-CG 4.09Å; Y715-Q723 WeakPolarHBondContact OH-CA 3.4Å; Y715-Q723 PolarHBondContact OH-O 3.03Å; Y715-Q729 HydrophobicContact CD2-CG 4.24Å; Y715-Q729 HydrophobicContact CE2-CG 3.7Å; Y715-V734 HydrophobicContact CD2-CG1 4.37Å; Y715-V734 HydrophobicContact CD2-CG2 4.15Å |
| 716 | K | 88.4 | Confident | 82.9 | Confident | 118 Ų | 118 | 78.1 Ų | 78.1 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.1 | -18.8 | 177.2 | -62.1 | 173.3 | -160.6 | 168.7 | 0 | 113.7 | S712 E713 L714 L718 Q723 | S712-K716 WeakPolarHBondContact O-CG 3.29Å; S712-K716 PolarHBondContact O-N 3.05Å; E713-K716 WeakPolarHBondContact O-CB 3.25Å; E713-K716 PolarHBondContact O-N 3.44Å; E713-K716 VanDerWaalsContact O-N 3.17Å; E713-K716 IonicContact OE1-NZ 2.76Å; E713-K716 PolarHBondContact OE1-NZ 2.99Å; E713-K716 WeakPolarHBondContact OE2-CE 3.48Å; E713-K716 IonicContact OE2-NZ 2.99Å; E713-K716 PolarHBondContact OE2-NZ 2.87Å; L714-K716 VanDerWaalsContact C-N 3.32Å; L714-K716 PolarHBondContact O-N 3.31Å; K716-L718 VanDerWaalsContact C-N 3.32Å; K716-Q723 PolarHBondContact O-NE2 3.2Å |
| 717 | L | 89.6 | Confident | 81 | Confident | 100 Ų | 100 | 80.2 Ų | 80.2 | 52% | 0.524 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -8.7 | 179.5 | -59.3 | 179 | 0 | 0 | 0 | 113.2 | L714 Y715 Y741 | L714-L717 HydrophobicContact CD2-CD1 4.29Å; L714-L717 WeakPolarHBondContact O-CB 3.4Å; L714-L717 PolarHBondContact O-N 3.39Å; L714-L717 VanDerWaalsContact O-N 3.16Å; Y715-L717 PolarHBondContact O-N 3.44Å; L717-Y741 WeakPolarHBondContact O-CE1 3.43Å |
| 718 | L | 88.6 | Confident | 79.2 | Confident | 6 Ų | 6 | 87 Ų | 87 | 3% | 0.031 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -74.1 | 151.8 | 174.3 | -65.9 | 176 | 0 | 0 | 0 | 111.4 | Y715 K716 E722 Q723 R737 V738 Y741 | Y715-L718 HydrophobicContact CD2-CD1 4.05Å; Y715-L718 WeakPolarHBondContact O-CB 3.3Å; Y715-L718 PolarHBondContact O-N 2.81Å; K716-L718 VanDerWaalsContact C-N 3.32Å; L718-E722 HydrophobicContact CB-CB 4.23Å; L718-Q723 HydrophobicContact CB-CG 3.88Å; L718-Q723 PolarHBondContact O-NE2 3.41Å; L718-R737 HydrophobicContact CD1-CB 3.93Å; L718-R737 HydrophobicContact CD2-CB 4.07Å; L718-V738 HydrophobicContact CD1-CG2 4.18Å; L718-V738 HydrophobicContact CD2-CB 4.33Å; L718-V738 HydrophobicContact CD2-CG2 3.66Å; L718-V738 HydrophobicContact CG-CG2 3.87Å; L718-Y741 HydrophobicContact CD2-CD1 4.35Å; L718-Y741 HydrophobicContact CD2-CG 4.31Å |
| 719 | P | 86.9 | Confident | 78 | Confident | 32 Ų | 32 | 86 Ų | 86 | 21% | 0.208 | 43% | 0.426 | C | S | . | . | | | trans | -55.5 | 149.6 | 168.5 | -24.7 | 34.8 | 0 | 0 | 0 | 112.4 | D721 E722 Q723 Y741 | P719-D721 PolarHBondContact O-N 2.94Å; P719-D721 VanDerWaalsContact O-N 3.16Å; P719-E722 WeakPolarHBondContact O-CA 3.23Å; P719-E722 PolarHBondContact O-N 3.41Å; P719-Q723 PolarHBondContact O-N 3.06Å; P719-Y741 HydrophobicContact CG-CD2 3.7Å; P719-Y741 HydrophobicContact CG-CE2 3.45Å; P719-Y741 VanDerWaalsContact CG-CE2 3.45Å |
| 720 | P | 77.1 | Confident | 77.5 | Confident | 91 Ų | 91 | 85.4 Ų | 85.4 | 59% | 0.591 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -53.7 | -36.3 | 176.6 | -27.9 | 36.2 | 0 | 0 | 0 | 113.5 | E722 Q723 T724 | P720-E722 PolarHBondContact O-N 3.48Å; P720-Q723 PolarHBondContact O-N 2.87Å; P720-T724 WeakPolarHBondContact O-CB 3.48Å; P720-T724 VanDerWaalsContact O-CG2 3.32Å; P720-T724 WeakPolarHBondContact O-CG2 3.31Å; P720-T724 PolarHBondContact O-N 3.25Å; P720-T724 PolarHBondContact O-OG1 3.26Å |
| 721 | D | 71.8 | Confident | 77.1 | Confident | 112 Ų | 112 | 82.6 Ų | 82.6 | 60% | 0.599 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.9 | -15 | 177.5 | -51.1 | -44.9 | 0 | 0 | 0 | 113.8 | P719 K725 | P719-D721 PolarHBondContact O-N 2.94Å; P719-D721 VanDerWaalsContact O-N 3.16Å; D721-K725 WeakPolarHBondContact O-CD 3.23Å; D721-K725 WeakPolarHBondContact O-CE 3.27Å; D721-K725 WeakPolarHBondContact O-CG 3.35Å; D721-K725 PolarHBondContact O-NZ 3.5Å |
| 722 | E | 69.3 | Low | 77 | Confident | 51 Ų | 51 | 83.9 Ų | 83.9 | 24% | 0.238 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -103.1 | -25.5 | 174.6 | -67.3 | -171.4 | -170.3 | 0 | 0 | 112.3 | L718 P719 P720 R737 | L718-E722 HydrophobicContact CB-CB 4.23Å; P719-E722 WeakPolarHBondContact O-CA 3.23Å; P719-E722 PolarHBondContact O-N 3.41Å; P720-E722 PolarHBondContact O-N 3.48Å; E722-R737 PolarHBondContact O-NH1 3.32Å |
| 723 | Q | 66.4 | Low | 77 | Confident | 50 Ų | 50 | 84.2 Ų | 84.2 | 23% | 0.234 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -71.6 | -51.4 | 170.6 | -66.1 | -170.9 | 44.8 | 0 | 0 | 111.4 | Y715 K716 L718 P719 P720 K725 S726 | Y715-Q723 HydrophobicContact CE1-CB 4.34Å; Y715-Q723 HydrophobicContact CE1-CG 4.24Å; Y715-Q723 HydrophobicContact CE2-CB 4.13Å; Y715-Q723 HydrophobicContact CE2-CG 4.09Å; Y715-Q723 WeakPolarHBondContact OH-CA 3.4Å; Y715-Q723 PolarHBondContact OH-O 3.03Å; K716-Q723 PolarHBondContact O-NE2 3.2Å; L718-Q723 HydrophobicContact CB-CG 3.88Å; L718-Q723 PolarHBondContact O-NE2 3.41Å; P719-Q723 PolarHBondContact O-N 3.06Å; P720-Q723 PolarHBondContact O-N 2.87Å; Q723-K725 PolarHBondContact O-N 2.55Å; Q723-S726 PolarHBondContact O-N 3.25Å |
| 724 | T | 60.6 | Low | 76.9 | Confident | 109 Ų | 109 | 80.4 Ų | 80.4 | 67% | 0.669 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -25.5 | -176.5 | 46.3 | 0 | 0 | 0 | 0 | 114.9 | P720 S726 | P720-T724 WeakPolarHBondContact O-CB 3.48Å; P720-T724 VanDerWaalsContact O-CG2 3.32Å; P720-T724 WeakPolarHBondContact O-CG2 3.31Å; P720-T724 PolarHBondContact O-N 3.25Å; P720-T724 PolarHBondContact O-OG1 3.26Å; T724-S726 PolarHBondContact O-N 3.27Å; T724-S726 VanDerWaalsContact O-N 3.13Å |
| 725 | K | 60 | Low | 76.9 | Confident | 136 Ų | 136 | 81.5 Ų | 81.5 | 59% | 0.591 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 7.6 | -175.1 | -70 | 175 | -178.2 | 134.1 | 0 | 116.1 | D721 Q723 | D721-K725 WeakPolarHBondContact O-CD 3.23Å; D721-K725 WeakPolarHBondContact O-CE 3.27Å; D721-K725 WeakPolarHBondContact O-CG 3.35Å; D721-K725 PolarHBondContact O-NZ 3.5Å; Q723-K725 PolarHBondContact O-N 2.55Å |
| 726 | S | 52.6 | Low | 77 | Confident | 46 Ų | 46 | 84.7 Ų | 84.7 | 32% | 0.322 | 43% | 0.434 | S | S | . | . | | | trans | -179.6 | 142.6 | 130.2 | 65.6 | 0 | 0 | 0 | 0 | 112 | Q723 T724 Y728 Q729 | Q723-S726 PolarHBondContact O-N 3.25Å; T724-S726 PolarHBondContact O-N 3.27Å; T724-S726 VanDerWaalsContact O-N 3.13Å; S726-Y728 PolarHBondContact O-N 2.79Å; S726-Q729 WeakPolarHBondContact O-CG 3.25Å; S726-Q729 PolarHBondContact OG-NE2 2.92Å |
| 727 | Q | 56.7 | Low | 77.1 | Confident | 176 Ų | 176 | 81.4 Ų | 81.4 | 82% | 0.822 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -67.6 | 0 | 176 | -165.4 | 168.2 | -20.5 | 0 | 0 | 114.2 | | |
| 728 | Y | 57.7 | Low | 77.3 | Confident | 209 Ų | 209 | 77 Ų | 77 | 82% | 0.82 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -137.2 | 66 | 179.2 | -69.6 | -84.8 | 0 | 0 | 0 | 110.7 | S726 | S726-Y728 PolarHBondContact O-N 2.79Š|
| 729 | Q | 69.4 | Low | 77.5 | Confident | 35 Ų | 35 | 80 Ų | 80 | 16% | 0.164 | 42% | 0.417 | C | S | . | . | | | trans | -71.1 | 130.2 | 172.9 | -61.8 | -80.2 | -85.1 | 0 | 0 | 110.8 | Y715 S726 I733 V734 R737 | Y715-Q729 HydrophobicContact CD2-CG 4.24Å; Y715-Q729 HydrophobicContact CE2-CG 3.7Å; S726-Q729 WeakPolarHBondContact O-CG 3.25Å; S726-Q729 PolarHBondContact OG-NE2 2.92Å; Q729-I733 VanDerWaalsContact OE1-CG2 3.29Å; Q729-V734 HydrophobicContact CB-CG2 3.42Å; Q729-V734 VanDerWaalsContact CB-CG2 3.42Å; Q729-V734 HydrophobicContact CG-CG2 4.17Å; Q729-R737 VanDerWaalsContact OE1-CZ 3.31Å |
| 730 | S | 83.5 | Confident | 77.8 | Confident | 64 Ų | 64 | 82.7 Ų | 82.7 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | | | trans | -70.2 | 152.5 | 166.5 | 91 | 0 | 0 | 0 | 0 | 110 | G732 I733 V734 | S730-G732 PolarHBondContact O-N 3.35Å; S730-G732 VanDerWaalsContact O-N 3.11Å; S730-I733 PolarHBondContact O-N 2.79Å; S730-I733 WeakPolarHBondContact OG-CG1 3.29Å; S730-I733 PolarHBondContact OG-N 3.41Å; S730-V734 PolarHBondContact O-N 3.34Å |
| 731 | K | 88 | Confident | 78.6 | Confident | 113 Ų | 113 | 81.5 Ų | 81.5 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -53.7 | -35.7 | -179.6 | -61.4 | -176.5 | -170.1 | -175.6 | 0 | 112.7 | N708 I711 L735 | N708-K731 WeakPolarHBondContact OD1-CE 3.47Å; N708-K731 PolarHBondContact OD1-NZ 3.38Å; I711-K731 HydrophobicContact CD1-CB 4.13Å; I711-K731 HydrophobicContact CD1-CD 3.86Å; I711-K731 HydrophobicContact CD1-CG 4.04Å; K731-L735 WeakPolarHBondContact O-CB 3.12Å; K731-L735 VanDerWaalsContact O-CG 3.27Å; K731-L735 WeakPolarHBondContact O-CG 3.45Å; K731-L735 PolarHBondContact O-N 3.14Å; K731-L735 VanDerWaalsContact O-N 3.13Å |
| 732 | G | 89.9 | Confident | 79.6 | Confident | 48 Ų | 48 | 81 Ų | 81 | 50% | 0.495 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.5 | -36.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S730 K736 | S730-G732 PolarHBondContact O-N 3.35Å; S730-G732 VanDerWaalsContact O-N 3.11Å; G732-K736 VanDerWaalsContact O-CB 3.25Å; G732-K736 WeakPolarHBondContact O-CB 3.22Å; G732-K736 PolarHBondContact O-N 2.91Å |
| 733 | I | 88.4 | Confident | 80.9 | Confident | 74 Ų | 74 | 84.6 Ų | 84.6 | 38% | 0.379 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.8 | -42.7 | 177.4 | -59.7 | 165.9 | 0 | 0 | 0 | 110.4 | Q729 S730 K736 R737 | Q729-I733 VanDerWaalsContact OE1-CG2 3.29Å; S730-I733 PolarHBondContact O-N 2.79Å; S730-I733 WeakPolarHBondContact OG-CG1 3.29Å; S730-I733 PolarHBondContact OG-N 3.41Å; I733-K736 PolarHBondContact O-N 3.21Å; I733-R737 PolarHBondContact O-N 2.87Å |
| 734 | V | 89.8 | Confident | 82.2 | Confident | 7 Ų | 7 | 87 Ų | 87 | 4% | 0.042 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -56.8 | -53.2 | 174.1 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | I711 Y715 Q729 S730 K736 R737 V738 | I711-V734 HydrophobicContact CG2-CB 4.13Å; I711-V734 HydrophobicContact CG2-CG1 3.99Å; I711-V734 HydrophobicContact CG2-CG2 4.34Å; Y715-V734 HydrophobicContact CD2-CG1 4.37Å; Y715-V734 HydrophobicContact CD2-CG2 4.15Å; Q729-V734 HydrophobicContact CB-CG2 3.42Å; Q729-V734 VanDerWaalsContact CB-CG2 3.42Å; Q729-V734 HydrophobicContact CG-CG2 4.17Å; S730-V734 PolarHBondContact O-N 3.34Å; V734-K736 VanDerWaalsContact C-N 3.32Å; V734-K736 PolarHBondContact O-N 3Å; V734-R737 PolarHBondContact O-N 3.38Å; V734-V738 HydrophobicContact CG1-CG2 4.25Å; V734-V738 WeakPolarHBondContact O-CB 3.42Å; V734-V738 WeakPolarHBondContact O-CG2 3.4Å; V734-V738 PolarHBondContact O-N 3.49Å |
| 735 | L | 91.7 | Very high | 83.8 | Confident | 76 Ų | 76 | 84.1 Ų | 84.1 | 40% | 0.398 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | -179.8 | -70.8 | 170.9 | 0 | 0 | 0 | 112 | L714 K731 V738 C739 | L714-L735 HydrophobicContact CD1-CD2 4.13Å; K731-L735 WeakPolarHBondContact O-CB 3.12Å; K731-L735 VanDerWaalsContact O-CG 3.27Å; K731-L735 WeakPolarHBondContact O-CG 3.45Å; K731-L735 PolarHBondContact O-N 3.14Å; K731-L735 VanDerWaalsContact O-N 3.13Å; L735-V738 PolarHBondContact O-N 3.07Å; L735-C739 PolarHBondContact O-N 3.44Å; L735-C739 PolarHBondContact O-SG 3.09Å; L735-C739 VanDerWaalsContact O-SG 3.34Å |
| 736 | K | 91.6 | Very high | 85.5 | Confident | 125 Ų | 125 | 81 Ų | 81 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.5 | -53.1 | 176 | 179.2 | 177.3 | 166.8 | 177.1 | 0 | 111.5 | G732 I733 V734 V738 C739 E740 | G732-K736 VanDerWaalsContact O-CB 3.25Å; G732-K736 WeakPolarHBondContact O-CB 3.22Å; G732-K736 PolarHBondContact O-N 2.91Å; I733-K736 PolarHBondContact O-N 3.21Å; V734-K736 VanDerWaalsContact C-N 3.32Å; V734-K736 PolarHBondContact O-N 3Å; K736-V738 VanDerWaalsContact C-N 3.31Å; K736-V738 PolarHBondContact O-N 3.46Å; K736-C739 WeakPolarHBondContact O-CB 3.49Å; K736-C739 PolarHBondContact O-N 2.94Å; K736-C739 VanDerWaalsContact O-N 3.14Å; K736-E740 WeakPolarHBondContact CE-OE1 3.15Å; K736-E740 VanDerWaalsContact CE-OE2 3.27Å; K736-E740 WeakPolarHBondContact CE-OE2 3.39Å; K736-E740 HydrophobicContact CG-CG 4.41Å; K736-E740 IonicContact NZ-OE1 2.79Å; K736-E740 PolarHBondContact NZ-OE1 3.09Å; K736-E740 WeakPolarHBondContact O-CG 3.36Å; K736-E740 PolarHBondContact O-N 3.4Å |
| 737 | R | 90 | Very high | 87.5 | Confident | 49 Ų | 49 | 82.2 Ų | 82.2 | 19% | 0.185 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60 | -40.9 | 178.9 | -73.3 | -173.6 | -179.3 | 162.9 | 1.3 | 111.9 | L718 E722 Q729 I733 V734 C739 E740 Y741 | L718-R737 HydrophobicContact CD1-CB 3.93Å; L718-R737 HydrophobicContact CD2-CB 4.07Å; E722-R737 PolarHBondContact O-NH1 3.32Å; Q729-R737 VanDerWaalsContact OE1-CZ 3.31Å; I733-R737 PolarHBondContact O-N 2.87Å; V734-R737 PolarHBondContact O-N 3.38Å; R737-C739 VanDerWaalsContact C-N 3.32Å; R737-C739 PolarHBondContact O-N 3.44Å; R737-E740 PolarHBondContact O-N 2.98Å; R737-Y741 VanDerWaalsContact O-CB 3.29Å; R737-Y741 WeakPolarHBondContact O-CB 3.36Å; R737-Y741 PolarHBondContact O-N 2.86Å |
| 738 | V | 93.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 79.7 Ų | 79.7 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 177.4 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | L714 L718 V734 L735 K736 F742 | L714-V738 HydrophobicContact CB-CG1 4.49Å; L714-V738 HydrophobicContact CB-CG2 4.17Å; L714-V738 HydrophobicContact CD2-CG1 4.27Å; L718-V738 HydrophobicContact CD1-CG2 4.18Å; L718-V738 HydrophobicContact CD2-CB 4.33Å; L718-V738 HydrophobicContact CD2-CG2 3.66Å; L718-V738 HydrophobicContact CG-CG2 3.87Å; V734-V738 HydrophobicContact CG1-CG2 4.25Å; V734-V738 WeakPolarHBondContact O-CB 3.42Å; V734-V738 WeakPolarHBondContact O-CG2 3.4Å; V734-V738 PolarHBondContact O-N 3.49Å; L735-V738 PolarHBondContact O-N 3.07Å; K736-V738 VanDerWaalsContact C-N 3.31Å; K736-V738 PolarHBondContact O-N 3.46Å; V738-F742 HydrophobicContact CG1-CD2 3.73Å; V738-F742 HydrophobicContact CG1-CE2 3.42Å; V738-F742 VanDerWaalsContact CG1-CE2 3.42Å; V738-F742 HydrophobicContact CG1-CZ 4.39Å; V738-F742 WeakPolarHBondContact O-CD2 3.46Å; V738-F742 WeakPolarHBondContact O-CG 3.47Å; V738-F742 PolarHBondContact O-N 3.02Å |
| 739 | C | 92.3 | Very high | 91.1 | Very high | 69 Ų | 69 | 73.8 Ų | 73.8 | 47% | 0.466 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 171.9 | -71.1 | 0 | 0 | 0 | 0 | 112.9 | L735 K736 R737 F742 Q743 | L735-C739 PolarHBondContact O-N 3.44Å; L735-C739 PolarHBondContact O-SG 3.09Å; L735-C739 VanDerWaalsContact O-SG 3.34Å; K736-C739 WeakPolarHBondContact O-CB 3.49Å; K736-C739 PolarHBondContact O-N 2.94Å; K736-C739 VanDerWaalsContact O-N 3.14Å; R737-C739 VanDerWaalsContact C-N 3.32Å; R737-C739 PolarHBondContact O-N 3.44Å; C739-F742 PolarHBondContact O-N 3.47Å; C739-Q743 WeakPolarHBondContact O-CB 3.15Å; C739-Q743 VanDerWaalsContact O-CG 3.23Å; C739-Q743 WeakPolarHBondContact O-CG 3.5Å; C739-Q743 PolarHBondContact O-N 3.34Å |
| 740 | E | 93.1 | Very high | 92.4 | Very high | 90 Ų | 90 | 78 Ų | 78 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 177.5 | -71.3 | 172.3 | 141.5 | 0 | 0 | 111.2 | K736 R737 Q743 N744 | K736-E740 WeakPolarHBondContact CE-OE1 3.15Å; K736-E740 VanDerWaalsContact CE-OE2 3.27Å; K736-E740 WeakPolarHBondContact CE-OE2 3.39Å; K736-E740 HydrophobicContact CG-CG 4.41Å; K736-E740 IonicContact NZ-OE1 2.79Å; K736-E740 PolarHBondContact NZ-OE1 3.09Å; K736-E740 WeakPolarHBondContact O-CG 3.36Å; K736-E740 PolarHBondContact O-N 3.4Å; R737-E740 PolarHBondContact O-N 2.98Å; E740-Q743 PolarHBondContact O-N 3.25Å; E740-N744 WeakPolarHBondContact O-CB 3.22Å; E740-N744 PolarHBondContact O-N 3.22Å |
| 741 | Y | 94.2 | Very high | 93 | Very high | 65 Ų | 65 | 78 Ų | 78 | 26% | 0.255 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 175.5 | 175.4 | -118.2 | 0 | 0 | 0 | 112.3 | L717 L718 P719 R737 Q743 N744 V745 | L717-Y741 WeakPolarHBondContact O-CE1 3.43Å; L718-Y741 HydrophobicContact CD2-CD1 4.35Å; L718-Y741 HydrophobicContact CD2-CG 4.31Å; P719-Y741 HydrophobicContact CG-CD2 3.7Å; P719-Y741 HydrophobicContact CG-CE2 3.45Å; P719-Y741 VanDerWaalsContact CG-CE2 3.45Å; R737-Y741 VanDerWaalsContact O-CB 3.29Å; R737-Y741 WeakPolarHBondContact O-CB 3.36Å; R737-Y741 PolarHBondContact O-N 2.86Å; Y741-Q743 VanDerWaalsContact C-N 3.33Å; Y741-Q743 PolarHBondContact O-N 3.46Å; Y741-N744 PolarHBondContact O-N 2.9Å; Y741-V745 HydrophobicContact CD2-CG2 3.89Å; Y741-V745 HydrophobicContact CE1-CG2 4.28Å; Y741-V745 HydrophobicContact CE2-CG2 3.44Å; Y741-V745 VanDerWaalsContact CE2-CG2 3.44Å; Y741-V745 HydrophobicContact CG-CG2 4.45Å; Y741-V745 WeakPolarHBondContact O-CB 3.38Å; Y741-V745 WeakPolarHBondContact O-CG2 3.5Å; Y741-V745 PolarHBondContact O-N 2.83Å |
| 742 | F | 94.1 | Very high | 93.3 | Very high | 103 Ų | 103 | 74.9 Ų | 74.9 | 45% | 0.452 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 177.4 | -74.6 | -46.4 | 0 | 0 | 0 | 112.9 | V738 C739 D746 | V738-F742 HydrophobicContact CG1-CD2 3.73Å; V738-F742 HydrophobicContact CG1-CE2 3.42Å; V738-F742 VanDerWaalsContact CG1-CE2 3.42Å; V738-F742 HydrophobicContact CG1-CZ 4.39Å; V738-F742 WeakPolarHBondContact O-CD2 3.46Å; V738-F742 WeakPolarHBondContact O-CG 3.47Å; V738-F742 PolarHBondContact O-N 3.02Å; C739-F742 PolarHBondContact O-N 3.47Å; F742-D746 VanDerWaalsContact O-CB 3.29Å; F742-D746 WeakPolarHBondContact O-CB 3.19Å; F742-D746 PolarHBondContact O-N 2.9Å |
| 743 | Q | 94.7 | Very high | 93.6 | Very high | 126 Ų | 126 | 77 Ų | 77 | 59% | 0.589 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.1 | -39.9 | 174.4 | -72.7 | 170.2 | 27 | 0 | 0 | 111.9 | C739 E740 Y741 S747 | C739-Q743 WeakPolarHBondContact O-CB 3.15Å; C739-Q743 VanDerWaalsContact O-CG 3.23Å; C739-Q743 WeakPolarHBondContact O-CG 3.5Å; C739-Q743 PolarHBondContact O-N 3.34Å; E740-Q743 PolarHBondContact O-N 3.25Å; Y741-Q743 VanDerWaalsContact C-N 3.33Å; Y741-Q743 PolarHBondContact O-N 3.46Å; Q743-S747 VanDerWaalsContact O-CB 3.31Å; Q743-S747 WeakPolarHBondContact O-CB 3.48Å; Q743-S747 PolarHBondContact O-N 2.87Å; Q743-S747 PolarHBondContact O-OG 3Å |
| 744 | N | 94.5 | Very high | 93.9 | Very high | 100 Ų | 100 | 77.3 Ų | 77.3 | 54% | 0.535 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.5 | -48.1 | 174.5 | -172.7 | 21.7 | 0 | 0 | 0 | 111.4 | E740 Y741 D746 S747 M748 | E740-N744 WeakPolarHBondContact O-CB 3.22Å; E740-N744 PolarHBondContact O-N 3.22Å; Y741-N744 PolarHBondContact O-N 2.9Å; N744-D746 PolarHBondContact O-N 2.96Å; N744-S747 PolarHBondContact O-N 3.21Å; N744-M748 VanDerWaalsContact O-CB 3.32Å; N744-M748 WeakPolarHBondContact O-CB 3.44Å; N744-M748 PolarHBondContact O-N 2.97Å |
| 745 | V | 95.1 | Very high | 94.2 | Very high | 49 Ų | 49 | 79 Ų | 79 | 30% | 0.297 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 178.3 | 170.7 | 0 | 0 | 0 | 0 | 112.1 | Y741 L749 | Y741-V745 HydrophobicContact CD2-CG2 3.89Å; Y741-V745 HydrophobicContact CE1-CG2 4.28Å; Y741-V745 HydrophobicContact CE2-CG2 3.44Å; Y741-V745 VanDerWaalsContact CE2-CG2 3.44Å; Y741-V745 HydrophobicContact CG-CG2 4.45Å; Y741-V745 WeakPolarHBondContact O-CB 3.38Å; Y741-V745 WeakPolarHBondContact O-CG2 3.5Å; Y741-V745 PolarHBondContact O-N 2.83Å; V745-L749 WeakPolarHBondContact O-CB 3.47Å; V745-L749 PolarHBondContact O-N 3.46Å |
| 746 | D | 94.4 | Very high | 94.4 | Very high | 70 Ų | 70 | 80 Ų | 80 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 174.6 | 175.3 | 53.8 | 0 | 0 | 0 | 112 | F742 N744 L749 K750 | F742-D746 VanDerWaalsContact O-CB 3.29Å; F742-D746 WeakPolarHBondContact O-CB 3.19Å; F742-D746 PolarHBondContact O-N 2.9Å; N744-D746 PolarHBondContact O-N 2.96Å; D746-L749 PolarHBondContact O-N 3.26Å; D746-K750 VanDerWaalsContact CG-NZ 3.31Å; D746-K750 WeakPolarHBondContact O-CB 3.32Å; D746-K750 WeakPolarHBondContact O-CD 3.41Å; D746-K750 VanDerWaalsContact O-CG 3.28Å; D746-K750 WeakPolarHBondContact O-CG 3.46Å; D746-K750 PolarHBondContact O-N 3.24Å; D746-K750 WeakPolarHBondContact OD1-CE 3.27Å; D746-K750 IonicContact OD1-NZ 2.76Å; D746-K750 PolarHBondContact OD1-NZ 2.97Å; D746-K750 WeakPolarHBondContact OD2-CE 3.48Å; D746-K750 IonicContact OD2-NZ 3.33Å; D746-K750 PolarHBondContact OD2-NZ 3.27Å |
| 747 | S | 94.8 | Very high | 94.6 | Very high | 71 Ų | 71 | 78.1 Ų | 78.1 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175.7 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | Q743 N744 K750 A751 | Q743-S747 VanDerWaalsContact O-CB 3.31Å; Q743-S747 WeakPolarHBondContact O-CB 3.48Å; Q743-S747 PolarHBondContact O-N 2.87Å; Q743-S747 PolarHBondContact O-OG 3Å; N744-S747 PolarHBondContact O-N 3.21Å; S747-K750 PolarHBondContact O-N 3.3Å; S747-A751 PolarHBondContact O-N 3.29Å |
| 748 | M | 94.5 | Very high | 94.9 | Very high | 124 Ų | 124 | 82.1 Ų | 82.1 | 61% | 0.611 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.4 | -39.5 | 176.2 | -174 | -179.1 | 69.3 | 0 | 0 | 111.6 | N744 A751 A752 | N744-M748 VanDerWaalsContact O-CB 3.32Å; N744-M748 WeakPolarHBondContact O-CB 3.44Å; N744-M748 PolarHBondContact O-N 2.97Å; M748-A751 PolarHBondContact O-N 3.15Å; M748-A752 VanDerWaalsContact O-CB 3.28Å; M748-A752 WeakPolarHBondContact O-CB 3.2Å; M748-A752 PolarHBondContact O-N 3.46Å |
| 749 | L | 96.1 | Very high | 95 | Very high | 84 Ų | 84 | 86.7 Ų | 86.7 | 44% | 0.44 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 175.8 | -179.7 | 61.2 | 0 | 0 | 0 | 111.6 | V745 D746 N753 | V745-L749 WeakPolarHBondContact O-CB 3.47Å; V745-L749 PolarHBondContact O-N 3.46Å; D746-L749 PolarHBondContact O-N 3.26Å; L749-N753 WeakPolarHBondContact O-CB 3.34Å; L749-N753 PolarHBondContact O-N 2.96Å; L749-N753 PolarHBondContact O-ND2 3.23Å; L749-N753 VanDerWaalsContact O-ND2 3.14Å |
| 750 | K | 96 | Very high | 95.2 | Very high | 124 Ų | 124 | 90.4 Ų | 90.4 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 173 | -75.5 | 163.4 | 177.8 | 167.3 | 0 | 111.8 | D746 S747 N753 S754 | D746-K750 VanDerWaalsContact CG-NZ 3.31Å; D746-K750 WeakPolarHBondContact O-CB 3.32Å; D746-K750 WeakPolarHBondContact O-CD 3.41Å; D746-K750 VanDerWaalsContact O-CG 3.28Å; D746-K750 WeakPolarHBondContact O-CG 3.46Å; D746-K750 PolarHBondContact O-N 3.24Å; D746-K750 WeakPolarHBondContact OD1-CE 3.27Å; D746-K750 IonicContact OD1-NZ 2.76Å; D746-K750 PolarHBondContact OD1-NZ 2.97Å; D746-K750 WeakPolarHBondContact OD2-CE 3.48Å; D746-K750 IonicContact OD2-NZ 3.33Å; D746-K750 PolarHBondContact OD2-NZ 3.27Å; S747-K750 PolarHBondContact O-N 3.3Å; K750-N753 PolarHBondContact O-N 3.32Å; K750-S754 WeakPolarHBondContact O-CB 3.46Å; K750-S754 PolarHBondContact O-N 3.2Å |
| 751 | A | 95.5 | Very high | 95.4 | Very high | 63 Ų | 63 | 89.2 Ų | 89.2 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S747 M748 S754 A755 | S747-A751 PolarHBondContact O-N 3.29Å; M748-A751 PolarHBondContact O-N 3.15Å; A751-S754 PolarHBondContact O-N 3.35Å; A751-A755 PolarHBondContact O-N 2.93Å |
| 752 | A | 95.5 | Very high | 95.5 | Very high | 48 Ų | 48 | 91 Ų | 91 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M748 S754 A755 V756 | M748-A752 VanDerWaalsContact O-CB 3.28Å; M748-A752 WeakPolarHBondContact O-CB 3.2Å; M748-A752 PolarHBondContact O-N 3.46Å; A752-S754 VanDerWaalsContact C-N 3.34Å; A752-S754 PolarHBondContact O-N 2.73Å; A752-A755 PolarHBondContact O-N 3.24Å; A752-V756 WeakPolarHBondContact O-CB 3.49Å; A752-V756 VanDerWaalsContact O-CG2 3.3Å; A752-V756 WeakPolarHBondContact O-CG2 3.06Å; A752-V756 PolarHBondContact O-N 2.92Å |
| 753 | N | 95.9 | Very high | 95.6 | Very high | 94 Ų | 94 | 89.4 Ų | 89.4 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 175 | -73.2 | -28.9 | 0 | 0 | 0 | 111.9 | L749 K750 V756 E757 | L749-N753 WeakPolarHBondContact O-CB 3.34Å; L749-N753 PolarHBondContact O-N 2.96Å; L749-N753 PolarHBondContact O-ND2 3.23Å; L749-N753 VanDerWaalsContact O-ND2 3.14Å; K750-N753 PolarHBondContact O-N 3.32Å; N753-V756 PolarHBondContact O-N 2.91Å; N753-E757 WeakPolarHBondContact O-CB 3.28Å; N753-E757 PolarHBondContact O-N 2.85Å |
| 754 | S | 95.8 | Very high | 95.6 | Very high | 80 Ų | 80 | 86.3 Ų | 86.3 | 56% | 0.559 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | 175.5 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | K750 A751 A752 E757 Q758 | K750-S754 WeakPolarHBondContact O-CB 3.46Å; K750-S754 PolarHBondContact O-N 3.2Å; A751-S754 PolarHBondContact O-N 3.35Å; A752-S754 VanDerWaalsContact C-N 3.34Å; A752-S754 PolarHBondContact O-N 2.73Å; S754-E757 PolarHBondContact O-N 2.89Å; S754-Q758 WeakPolarHBondContact O-CB 3.41Å; S754-Q758 PolarHBondContact O-N 3.16Å |
| 755 | A | 95.6 | Very high | 95.8 | Very high | 43 Ų | 43 | 86.4 Ų | 86.4 | 36% | 0.355 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A751 A752 Q758 I759 | A751-A755 PolarHBondContact O-N 2.93Å; A752-A755 PolarHBondContact O-N 3.24Å; A755-Q758 PolarHBondContact O-N 3.4Å; A755-I759 WeakPolarHBondContact O-CB 3.45Å; A755-I759 WeakPolarHBondContact O-CD1 3.44Å; A755-I759 VanDerWaalsContact O-CG1 3.25Å; A755-I759 WeakPolarHBondContact O-CG1 3.28Å; A755-I759 PolarHBondContact O-N 3.28Å |
| 756 | V | 96.2 | Very high | 95.8 | Very high | 95 Ų | 95 | 88.5 Ų | 88.5 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.7 | -42.9 | 174.2 | 167.1 | 0 | 0 | 0 | 0 | 111.2 | A752 N753 I759 R760 | A752-V756 WeakPolarHBondContact O-CB 3.49Å; A752-V756 VanDerWaalsContact O-CG2 3.3Å; A752-V756 WeakPolarHBondContact O-CG2 3.06Å; A752-V756 PolarHBondContact O-N 2.92Å; N753-V756 PolarHBondContact O-N 2.91Å; V756-I759 PolarHBondContact O-N 3.42Å; V756-R760 WeakPolarHBondContact O-CB 3.39Å; V756-R760 PolarHBondContact O-N 3.04Å |
| 757 | E | 95.7 | Very high | 95.9 | Very high | 86 Ų | 86 | 93.2 Ų | 93.2 | 40% | 0.402 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 178 | -175.3 | 59.3 | -165.6 | 0 | 0 | 112.1 | N753 S754 R760 V761 | N753-E757 WeakPolarHBondContact O-CB 3.28Å; N753-E757 PolarHBondContact O-N 2.85Å; S754-E757 PolarHBondContact O-N 2.89Å; E757-R760 WeakPolarHBondContact O-CB 3.46Å; E757-R760 PolarHBondContact O-N 3.32Å; E757-R760 IonicContact OE1-CZ 3.88Å; E757-R760 IonicContact OE1-NE 3.38Å; E757-R760 PolarHBondContact OE1-NE 2.82Å; E757-R760 IonicContact OE1-NH2 3.61Å; E757-R760 PolarHBondContact OE1-NH2 2.68Å; E757-R760 IonicContact OE2-CZ 3.41Å; E757-R760 IonicContact OE2-NE 3.6Å; E757-R760 PolarHBondContact OE2-NE 3.16Å; E757-R760 IonicContact OE2-NH2 2.68Å; E757-V761 WeakPolarHBondContact O-CG2 3.39Å; E757-V761 PolarHBondContact O-N 3.01Å |
| 758 | Q | 96 | Very high | 96 | Very high | 133 Ų | 133 | 95.5 Ų | 95.5 | 62% | 0.621 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58 | -49.1 | 171.9 | -179.9 | 178.5 | -9.9 | 0 | 0 | 111.4 | S754 A755 R760 V761 E762 | S754-Q758 WeakPolarHBondContact O-CB 3.41Å; S754-Q758 PolarHBondContact O-N 3.16Å; A755-Q758 PolarHBondContact O-N 3.4Å; Q758-R760 VanDerWaalsContact C-N 3.29Å; Q758-R760 PolarHBondContact O-N 3.28Å; Q758-V761 PolarHBondContact O-N 3.13Å; Q758-E762 WeakPolarHBondContact O-CB 2.98Å; Q758-E762 PolarHBondContact O-N 3.29Å |
| 759 | I | 96.1 | Very high | 96.1 | Very high | 104 Ų | 104 | 94.3 Ų | 94.3 | 53% | 0.533 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -35.5 | 176.8 | -68.6 | 165.5 | 0 | 0 | 0 | 110.9 | A755 V756 N763 | A755-I759 WeakPolarHBondContact O-CB 3.45Å; A755-I759 WeakPolarHBondContact O-CD1 3.44Å; A755-I759 VanDerWaalsContact O-CG1 3.25Å; A755-I759 WeakPolarHBondContact O-CG1 3.28Å; A755-I759 PolarHBondContact O-N 3.28Å; V756-I759 PolarHBondContact O-N 3.42Å; I759-N763 WeakPolarHBondContact O-CB 3.15Å; I759-N763 PolarHBondContact O-N 3.38Å |
| 760 | R | 96.3 | Very high | 96.1 | Very high | 146 Ų | 146 | 93.6 Ų | 93.6 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 176.3 | -165.4 | -173.6 | 73.3 | 78.5 | 2.8 | 111.7 | V756 E757 Q758 S764 | V756-R760 WeakPolarHBondContact O-CB 3.39Å; V756-R760 PolarHBondContact O-N 3.04Å; E757-R760 WeakPolarHBondContact O-CB 3.46Å; E757-R760 PolarHBondContact O-N 3.32Å; E757-R760 IonicContact OE1-CZ 3.88Å; E757-R760 IonicContact OE1-NE 3.38Å; E757-R760 PolarHBondContact OE1-NE 2.82Å; E757-R760 IonicContact OE1-NH2 3.61Å; E757-R760 PolarHBondContact OE1-NH2 2.68Å; E757-R760 IonicContact OE2-CZ 3.41Å; E757-R760 IonicContact OE2-NE 3.6Å; E757-R760 PolarHBondContact OE2-NE 3.16Å; E757-R760 IonicContact OE2-NH2 2.68Å; Q758-R760 VanDerWaalsContact C-N 3.29Å; Q758-R760 PolarHBondContact O-N 3.28Å; R760-S764 PolarHBondContact O-N 3.23Å; R760-S764 VanDerWaalsContact O-N 3.11Å |
| 761 | V | 97 | Very high | 96.1 | Very high | 65 Ų | 65 | 93.4 Ų | 93.4 | 39% | 0.394 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -50.3 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | E757 Q758 N763 S764 I765 | E757-V761 WeakPolarHBondContact O-CG2 3.39Å; E757-V761 PolarHBondContact O-N 3.01Å; Q758-V761 PolarHBondContact O-N 3.13Å; V761-N763 VanDerWaalsContact C-N 3.35Å; V761-N763 PolarHBondContact O-N 3.5Å; V761-S764 WeakPolarHBondContact O-CB 3.47Å; V761-S764 PolarHBondContact O-N 3Å; V761-S764 PolarHBondContact O-OG 2.92Å; V761-I765 HydrophobicContact CG1-CD1 3.9Å; V761-I765 WeakPolarHBondContact O-CG1 3.49Å; V761-I765 PolarHBondContact O-N 3.21Å |
| 762 | E | 96.6 | Very high | 96.2 | Very high | 104 Ų | 104 | 93.3 Ų | 93.3 | 49% | 0.486 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.8 | -46.2 | 177.1 | -173.5 | -177.4 | 173.1 | 0 | 0 | 111.9 | Q758 S764 I765 L766 | Q758-E762 WeakPolarHBondContact O-CB 2.98Å; Q758-E762 PolarHBondContact O-N 3.29Å; E762-S764 VanDerWaalsContact C-N 3.26Å; E762-S764 PolarHBondContact O-N 3.27Å; E762-I765 PolarHBondContact O-N 3.07Å; E762-L766 HydrophobicContact CG-CD1 3.99Å; E762-L766 HydrophobicContact CG-CG 4.41Å; E762-L766 WeakPolarHBondContact O-CB 3.49Å; E762-L766 WeakPolarHBondContact O-CG 3.48Å; E762-L766 PolarHBondContact O-N 3.06Å |
| 763 | N | 95.1 | Very high | 96.2 | Very high | 69 Ų | 69 | 95 Ų | 95 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -31.2 | 178.1 | -158.6 | -105.4 | 0 | 0 | 0 | 112.4 | I759 V761 R767 | I759-N763 WeakPolarHBondContact O-CB 3.15Å; I759-N763 PolarHBondContact O-N 3.38Å; V761-N763 VanDerWaalsContact C-N 3.35Å; V761-N763 PolarHBondContact O-N 3.5Å; N763-R767 WeakPolarHBondContact O-CB 3.46Å; N763-R767 WeakPolarHBondContact O-CG 3.46Å; N763-R767 PolarHBondContact O-N 3.08Å; N763-R767 PolarHBondContact OD1-NE 3.13Å; N763-R767 PolarHBondContact OD1-NH2 2.94Å |
| 764 | S | 95.8 | Very high | 96.2 | Very high | 61 Ų | 61 | 94.7 Ų | 94.7 | 43% | 0.427 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.4 | -41.8 | 173.7 | 75.1 | 0 | 0 | 0 | 0 | 112.5 | R760 V761 E762 R767 Q768 | R760-S764 PolarHBondContact O-N 3.23Å; R760-S764 VanDerWaalsContact O-N 3.11Å; V761-S764 WeakPolarHBondContact O-CB 3.47Å; V761-S764 PolarHBondContact O-N 3Å; V761-S764 PolarHBondContact O-OG 2.92Å; E762-S764 VanDerWaalsContact C-N 3.26Å; E762-S764 PolarHBondContact O-N 3.27Å; S764-R767 PolarHBondContact O-N 2.84Å; S764-Q768 PolarHBondContact O-N 3.4Å |
| 765 | I | 97 | Very high | 96.2 | Very high | 101 Ų | 101 | 96 Ų | 96 | 52% | 0.518 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 176.5 | -65 | 166.5 | 0 | 0 | 0 | 110.5 | V761 E762 R767 Q768 R769 | V761-I765 HydrophobicContact CG1-CD1 3.9Å; V761-I765 WeakPolarHBondContact O-CG1 3.49Å; V761-I765 PolarHBondContact O-N 3.21Å; E762-I765 PolarHBondContact O-N 3.07Å; I765-R767 PolarHBondContact O-N 2.99Å; I765-Q768 WeakPolarHBondContact O-CB 3.44Å; I765-Q768 PolarHBondContact O-N 2.92Å; I765-R769 PolarHBondContact O-N 3.11Å |
| 766 | L | 96.2 | Very high | 96.3 | Very high | 93 Ų | 93 | 97.9 Ų | 97.9 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 175.9 | -70.9 | 172.3 | 0 | 0 | 0 | 111.8 | E762 R769 V770 | E762-L766 HydrophobicContact CG-CD1 3.99Å; E762-L766 HydrophobicContact CG-CG 4.41Å; E762-L766 WeakPolarHBondContact O-CB 3.49Å; E762-L766 WeakPolarHBondContact O-CG 3.48Å; E762-L766 PolarHBondContact O-N 3.06Å; L766-R769 PolarHBondContact O-N 3.46Å; L766-V770 WeakPolarHBondContact O-CB 3.29Å; L766-V770 VanDerWaalsContact O-CG2 3.29Å; L766-V770 WeakPolarHBondContact O-CG2 3.4Å; L766-V770 PolarHBondContact O-N 3.37Å |
| 767 | R | 96.9 | Very high | 96.2 | Very high | 170 Ų | 170 | 98.2 Ų | 98.2 | 64% | 0.642 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.8 | -40.9 | 173.6 | -76.2 | 172.4 | -165.6 | -84.1 | -4.3 | 112.3 | N763 S764 I765 V770 H771 | N763-R767 WeakPolarHBondContact O-CB 3.46Å; N763-R767 WeakPolarHBondContact O-CG 3.46Å; N763-R767 PolarHBondContact O-N 3.08Å; N763-R767 PolarHBondContact OD1-NE 3.13Å; N763-R767 PolarHBondContact OD1-NH2 2.94Å; S764-R767 PolarHBondContact O-N 2.84Å; I765-R767 PolarHBondContact O-N 2.99Å; R767-V770 PolarHBondContact O-N 2.96Å; R767-H771 PolarHBondContact O-N 3.23Å |
| 768 | Q | 96.9 | Very high | 96.1 | Very high | 118 Ų | 118 | 100.4 Ų | 100.4 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.6 | -49.9 | 174 | -173.7 | -173 | -39.4 | 0 | 0 | 110.7 | S764 I765 V770 H771 E772 | S764-Q768 PolarHBondContact O-N 3.4Å; I765-Q768 WeakPolarHBondContact O-CB 3.44Å; I765-Q768 PolarHBondContact O-N 2.92Å; Q768-V770 VanDerWaalsContact C-N 3.31Å; Q768-V770 PolarHBondContact O-N 3.13Å; Q768-H771 WeakPolarHBondContact O-CB 3.35Å; Q768-H771 PolarHBondContact O-N 3.41Å; Q768-H771 VanDerWaalsContact O-N 3.07Å; Q768-E772 WeakPolarHBondContact CG-OE1 3.47Å; Q768-E772 PolarHBondContact NE2-OE1 2.7Å; Q768-E772 WeakPolarHBondContact O-CG 3.39Å; Q768-E772 PolarHBondContact O-N 3.42Å |
| 769 | R | 96.3 | Very high | 96.1 | Very high | 99 Ų | 99 | 99.6 Ų | 99.6 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.6 | -33 | -179.6 | -171.9 | 62.2 | -163.1 | 142.7 | 9 | 112.8 | I765 L766 E772 L773 E776 | I765-R769 PolarHBondContact O-N 3.11Å; L766-R769 PolarHBondContact O-N 3.46Å; R769-E772 WeakPolarHBondContact CD-OE2 3.33Å; R769-E772 IonicContact CZ-OE2 3.27Å; R769-E772 IonicContact NE-OE2 2.78Å; R769-E772 IonicContact NH1-OE2 2.74Å; R769-E772 PolarHBondContact NH1-OE2 3Å; R769-L773 HydrophobicContact CG-CD1 4.1Å; R769-L773 HydrophobicContact CG-CG 4.48Å; R769-L773 VanDerWaalsContact NH2-CD2 3.28Å; R769-L773 WeakPolarHBondContact O-CB 3.41Å; R769-L773 VanDerWaalsContact O-CG 3.27Å; R769-L773 WeakPolarHBondContact O-CG 3.34Å; R769-L773 PolarHBondContact O-N 3.27Å; R769-E776 IonicContact CZ-OE1 3.17Å; R769-E776 VanDerWaalsContact CZ-OE1 3.27Å; R769-E776 IonicContact NH1-OE1 2.87Å; R769-E776 PolarHBondContact NH1-OE1 3.46Å; R769-E776 IonicContact NH2-OE1 3.71Å; R769-E776 PolarHBondContact NH2-OE1 3.17Å; R769-E776 IonicContact NH2-OE2 2.78Å; R769-E776 PolarHBondContact NH2-OE2 3.45Å; R769-E776 VanDerWaalsContact NH2-OE2 3.17Å |
| 770 | V | 96.3 | Very high | 96 | Very high | 70 Ų | 70 | 100.1 Ų | 100.1 | 42% | 0.424 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -42 | 171 | 167.1 | 0 | 0 | 0 | 0 | 111.4 | L766 R767 Q768 L773 Q774 | L766-V770 WeakPolarHBondContact O-CB 3.29Å; L766-V770 VanDerWaalsContact O-CG2 3.29Å; L766-V770 WeakPolarHBondContact O-CG2 3.4Å; L766-V770 PolarHBondContact O-N 3.37Å; R767-V770 PolarHBondContact O-N 2.96Å; Q768-V770 VanDerWaalsContact C-N 3.31Å; Q768-V770 PolarHBondContact O-N 3.13Å; V770-L773 PolarHBondContact O-N 3.26Å; V770-Q774 HydrophobicContact CG1-CG 4.46Å; V770-Q774 WeakPolarHBondContact O-CB 3.08Å; V770-Q774 VanDerWaalsContact O-CG 3.23Å; V770-Q774 WeakPolarHBondContact O-CG 3.44Å; V770-Q774 PolarHBondContact O-N 3.02Å |
| 771 | H | 96.6 | Very high | 95.9 | Very high | 120 Ų | 120 | 96 Ų | 96 | 56% | 0.556 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.7 | -44.5 | 175.8 | -179.4 | -82.3 | 0 | 0 | 0 | 112.1 | R767 Q768 Q774 Q775 | R767-H771 PolarHBondContact O-N 3.23Å; Q768-H771 WeakPolarHBondContact O-CB 3.35Å; Q768-H771 PolarHBondContact O-N 3.41Å; Q768-H771 VanDerWaalsContact O-N 3.07Å; H771-Q774 PolarHBondContact O-N 2.91Å; H771-Q775 PolarHBondContact O-N 3.35Å |
| 772 | E | 96.2 | Very high | 95.7 | Very high | 61 Ų | 61 | 95.8 Ų | 95.8 | 29% | 0.285 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 173.7 | -68.6 | 168 | -169.6 | 0 | 0 | 111.5 | Q768 R769 Q774 Q775 E776 | Q768-E772 WeakPolarHBondContact CG-OE1 3.47Å; Q768-E772 PolarHBondContact NE2-OE1 2.7Å; Q768-E772 WeakPolarHBondContact O-CG 3.39Å; Q768-E772 PolarHBondContact O-N 3.42Å; R769-E772 WeakPolarHBondContact CD-OE2 3.33Å; R769-E772 IonicContact CZ-OE2 3.27Å; R769-E772 IonicContact NE-OE2 2.78Å; R769-E772 IonicContact NH1-OE2 2.74Å; R769-E772 PolarHBondContact NH1-OE2 3Å; E772-Q774 VanDerWaalsContact C-N 3.3Å; E772-Q774 PolarHBondContact O-N 3.45Å; E772-Q775 WeakPolarHBondContact O-CB 3.42Å; E772-Q775 PolarHBondContact O-N 2.99Å; E772-E776 WeakPolarHBondContact O-CG 3.36Å; E772-E776 PolarHBondContact O-N 2.89Å |
| 773 | L | 96.2 | Very high | 95.5 | Very high | 83 Ų | 83 | 94.5 Ų | 94.5 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -35.8 | 176.8 | -76.4 | 167.1 | 0 | 0 | 0 | 112.7 | R769 V770 Q775 N777 | R769-L773 HydrophobicContact CG-CD1 4.1Å; R769-L773 HydrophobicContact CG-CG 4.48Å; R769-L773 VanDerWaalsContact NH2-CD2 3.28Å; R769-L773 WeakPolarHBondContact O-CB 3.41Å; R769-L773 VanDerWaalsContact O-CG 3.27Å; R769-L773 WeakPolarHBondContact O-CG 3.34Å; R769-L773 PolarHBondContact O-N 3.27Å; V770-L773 PolarHBondContact O-N 3.26Å; L773-Q775 VanDerWaalsContact C-N 3.34Å; L773-N777 WeakPolarHBondContact O-CB 3.39Å; L773-N777 PolarHBondContact O-N 3.08Å |
| 774 | Q | 96.6 | Very high | 95.4 | Very high | 88 Ų | 88 | 97.5 Ų | 97.5 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -33.9 | 173.9 | -76.6 | 172.4 | -2.4 | 0 | 0 | 112 | V770 H771 E772 Q778 | V770-Q774 HydrophobicContact CG1-CG 4.46Å; V770-Q774 WeakPolarHBondContact O-CB 3.08Å; V770-Q774 VanDerWaalsContact O-CG 3.23Å; V770-Q774 WeakPolarHBondContact O-CG 3.44Å; V770-Q774 PolarHBondContact O-N 3.02Å; H771-Q774 PolarHBondContact O-N 2.91Å; E772-Q774 VanDerWaalsContact C-N 3.3Å; E772-Q774 PolarHBondContact O-N 3.45Å; Q774-Q778 WeakPolarHBondContact O-CB 3.09Å; Q774-Q778 VanDerWaalsContact O-CG 3.26Å; Q774-Q778 WeakPolarHBondContact O-CG 3.37Å; Q774-Q778 PolarHBondContact O-N 2.68Å; Q774-Q778 PolarHBondContact O-NE2 2.66Å |
| 775 | Q | 96 | Very high | 95.2 | Very high | 108 Ų | 108 | 100.5 Ų | 100.5 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.6 | -45.9 | 174.2 | -172.8 | 177.9 | 4.6 | 0 | 0 | 111.6 | H771 E772 L773 N777 Q778 L779 | H771-Q775 PolarHBondContact O-N 3.35Å; E772-Q775 WeakPolarHBondContact O-CB 3.42Å; E772-Q775 PolarHBondContact O-N 2.99Å; L773-Q775 VanDerWaalsContact C-N 3.34Å; Q775-N777 VanDerWaalsContact C-N 3.32Å; Q775-N777 PolarHBondContact O-N 2.63Å; Q775-Q778 PolarHBondContact O-N 3.29Å; Q775-L779 HydrophobicContact CG-CD1 4.36Å; Q775-L779 WeakPolarHBondContact O-CG 3.4Å; Q775-L779 PolarHBondContact O-N 3.29Å |
| 776 | E | 95.8 | Very high | 94.8 | Very high | 81 Ų | 81 | 101.7 Ų | 101.7 | 38% | 0.379 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -54.3 | -47.9 | 172.5 | -72 | 169.4 | -149.6 | 0 | 0 | 110.8 | R769 E772 L779 L780 | R769-E776 IonicContact CZ-OE1 3.17Å; R769-E776 VanDerWaalsContact CZ-OE1 3.27Å; R769-E776 IonicContact NH1-OE1 2.87Å; R769-E776 PolarHBondContact NH1-OE1 3.46Å; R769-E776 IonicContact NH2-OE1 3.71Å; R769-E776 PolarHBondContact NH2-OE1 3.17Å; R769-E776 IonicContact NH2-OE2 2.78Å; R769-E776 PolarHBondContact NH2-OE2 3.45Å; R769-E776 VanDerWaalsContact NH2-OE2 3.17Å; E772-E776 WeakPolarHBondContact O-CG 3.36Å; E772-E776 PolarHBondContact O-N 2.89Å; E776-L779 PolarHBondContact O-N 3.45Å; E776-L780 WeakPolarHBondContact O-CB 3.38Å; E776-L780 WeakPolarHBondContact O-CG 3.46Å; E776-L780 PolarHBondContact O-N 3.5Å |
| 777 | N | 94 | Very high | 94.6 | Very high | 102 Ų | 102 | 99.2 Ų | 99.2 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 179.5 | -169.2 | -42.7 | 0 | 0 | 0 | 112.5 | L773 Q775 L779 L780 S781 | L773-N777 WeakPolarHBondContact O-CB 3.39Å; L773-N777 PolarHBondContact O-N 3.08Å; Q775-N777 VanDerWaalsContact C-N 3.32Å; Q775-N777 PolarHBondContact O-N 2.63Å; N777-L779 PolarHBondContact O-N 3.28Å; N777-L780 PolarHBondContact O-N 3.12Å; N777-S781 WeakPolarHBondContact O-CB 3.46Å; N777-S781 PolarHBondContact O-N 3.32Å; N777-S781 PolarHBondContact O-OG 3.36Å; N777-S781 PolarHBondContact OD1-OG 2.91Å |
| 778 | Q | 95.5 | Very high | 94.1 | Very high | 132 Ų | 132 | 93.6 Ų | 93.6 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.4 | -42.7 | 173.6 | -80.4 | 169.2 | 80.8 | 0 | 0 | 112.3 | Q774 Q775 S781 A782 | Q774-Q778 WeakPolarHBondContact O-CB 3.09Å; Q774-Q778 VanDerWaalsContact O-CG 3.26Å; Q774-Q778 WeakPolarHBondContact O-CG 3.37Å; Q774-Q778 PolarHBondContact O-N 2.68Å; Q774-Q778 PolarHBondContact O-NE2 2.66Å; Q775-Q778 PolarHBondContact O-N 3.29Å; Q778-S781 PolarHBondContact O-N 2.94Å; Q778-A782 WeakPolarHBondContact O-CB 3.35Å; Q778-A782 PolarHBondContact O-N 3.29Å |
| 779 | L | 95.1 | Very high | 93.7 | Very high | 116 Ų | 116 | 91.9 Ų | 91.9 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.6 | -44 | 177.3 | -70.2 | 169.4 | 0 | 0 | 0 | 112 | Q775 E776 N777 A782 S783 | Q775-L779 HydrophobicContact CG-CD1 4.36Å; Q775-L779 WeakPolarHBondContact O-CG 3.4Å; Q775-L779 PolarHBondContact O-N 3.29Å; E776-L779 PolarHBondContact O-N 3.45Å; N777-L779 PolarHBondContact O-N 3.28Å; L779-A782 PolarHBondContact O-N 3.29Å; L779-S783 WeakPolarHBondContact O-CB 3.41Å; L779-S783 PolarHBondContact O-N 2.9Å |
| 780 | L | 94.5 | Very high | 93 | Very high | 115 Ų | 115 | 89.4 Ų | 89.4 | 60% | 0.602 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | 175.5 | -71.2 | 169.9 | 0 | 0 | 0 | 111.7 | E776 N777 A782 S783 L784 | E776-L780 WeakPolarHBondContact O-CB 3.38Å; E776-L780 WeakPolarHBondContact O-CG 3.46Å; E776-L780 PolarHBondContact O-N 3.5Å; N777-L780 PolarHBondContact O-N 3.12Å; L780-A782 PolarHBondContact O-N 3.27Å; L780-S783 WeakPolarHBondContact O-CB 3.41Å; L780-S783 PolarHBondContact O-N 3.46Å; L780-L784 WeakPolarHBondContact O-CB 3.25Å; L780-L784 WeakPolarHBondContact O-CG 3.35Å; L780-L784 PolarHBondContact O-N 2.93Å |
| 781 | S | 93.6 | Very high | 92.4 | Very high | 61 Ų | 61 | 88.7 Ų | 88.7 | 43% | 0.427 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 176 | -66.6 | 0 | 0 | 0 | 0 | 112 | N777 Q778 L784 Q785 | N777-S781 WeakPolarHBondContact O-CB 3.46Å; N777-S781 PolarHBondContact O-N 3.32Å; N777-S781 PolarHBondContact O-OG 3.36Å; N777-S781 PolarHBondContact OD1-OG 2.91Å; Q778-S781 PolarHBondContact O-N 2.94Å; S781-L784 PolarHBondContact O-N 3.13Å; S781-Q785 VanDerWaalsContact O-CB 3.28Å; S781-Q785 WeakPolarHBondContact O-CB 3.37Å; S781-Q785 PolarHBondContact O-N 3.42Å |
| 782 | A | 92.8 | Very high | 91.6 | Very high | 60 Ų | 60 | 85 Ų | 85 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q778 L779 L780 Q785 L786 | Q778-A782 WeakPolarHBondContact O-CB 3.35Å; Q778-A782 PolarHBondContact O-N 3.29Å; L779-A782 PolarHBondContact O-N 3.29Å; L780-A782 PolarHBondContact O-N 3.27Å; A782-Q785 PolarHBondContact O-N 3.24Å; A782-L786 WeakPolarHBondContact O-CB 3.41Å; A782-L786 PolarHBondContact O-N 2.7Å |
| 783 | S | 92.3 | Very high | 90.6 | Very high | 77 Ų | 77 | 84.3 Ų | 84.3 | 54% | 0.538 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 175.7 | -170.8 | 0 | 0 | 0 | 0 | 112.2 | L779 L780 L786 G787 | L779-S783 WeakPolarHBondContact O-CB 3.41Å; L779-S783 PolarHBondContact O-N 2.9Å; L780-S783 WeakPolarHBondContact O-CB 3.41Å; L780-S783 PolarHBondContact O-N 3.46Å; S783-L786 PolarHBondContact O-N 3.1Å; S783-G787 PolarHBondContact O-N 3.2Å |
| 784 | L | 92.8 | Very high | 89.6 | Confident | 132 Ų | 132 | 87.3 Ų | 87.3 | 69% | 0.691 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 175.4 | -71.2 | 173 | 0 | 0 | 0 | 111.9 | L780 S781 G787 A788 | L780-L784 WeakPolarHBondContact O-CB 3.25Å; L780-L784 WeakPolarHBondContact O-CG 3.35Å; L780-L784 PolarHBondContact O-N 2.93Å; S781-L784 PolarHBondContact O-N 3.13Å; L784-G787 PolarHBondContact O-N 3.4Å; L784-A788 WeakPolarHBondContact O-CB 3.45Å; L784-A788 PolarHBondContact O-N 2.95Å |
| 785 | Q | 91.2 | Very high | 88.2 | Confident | 123 Ų | 123 | 89.2 Ų | 89.2 | 58% | 0.575 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -41.1 | 175.8 | -175 | 62.5 | 19.6 | 0 | 0 | 111.6 | S781 A782 A788 V789 | S781-Q785 VanDerWaalsContact O-CB 3.28Å; S781-Q785 WeakPolarHBondContact O-CB 3.37Å; S781-Q785 PolarHBondContact O-N 3.42Å; A782-Q785 PolarHBondContact O-N 3.24Å; Q785-A788 PolarHBondContact O-N 2.64Å; Q785-V789 WeakPolarHBondContact O-CB 3.32Å; Q785-V789 VanDerWaalsContact O-CG2 3.29Å; Q785-V789 WeakPolarHBondContact O-CG2 3.49Å; Q785-V789 PolarHBondContact O-N 3.5Å |
| 786 | L | 89.7 | Confident | 86.6 | Confident | 126 Ų | 126 | 92.7 Ų | 92.7 | 66% | 0.66 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 174.1 | -179.4 | 60.9 | 0 | 0 | 0 | 111.5 | A782 S783 V789 A790 | A782-L786 WeakPolarHBondContact O-CB 3.41Å; A782-L786 PolarHBondContact O-N 2.7Å; S783-L786 PolarHBondContact O-N 3.1Å; L786-V789 PolarHBondContact O-N 2.9Å; L786-A790 WeakPolarHBondContact O-CB 3.24Å; L786-A790 PolarHBondContact O-N 3.14Å |
| 787 | G | 90.9 | Very high | 84.8 | Confident | 42 Ų | 42 | 95.4 Ų | 95.4 | 43% | 0.433 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.1 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S783 L784 A790 A791 | S783-G787 PolarHBondContact O-N 3.2Å; L784-G787 PolarHBondContact O-N 3.4Å; G787-A790 PolarHBondContact O-N 3.17Å; G787-A791 WeakPolarHBondContact O-CB 3.4Å; G787-A791 PolarHBondContact O-N 2.96Å |
| 788 | A | 87.9 | Confident | 83 | Confident | 52 Ų | 52 | 100.6 Ų | 100.6 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.7 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L784 Q785 A791 A792 | L784-A788 WeakPolarHBondContact O-CB 3.45Å; L784-A788 PolarHBondContact O-N 2.95Å; Q785-A788 PolarHBondContact O-N 2.64Å; A788-A791 PolarHBondContact O-N 3.18Å; A788-A792 WeakPolarHBondContact O-CB 3.38Å; A788-A792 PolarHBondContact O-N 3.25Å |
| 789 | V | 86.7 | Confident | 80.7 | Confident | 82 Ų | 82 | 102.9 Ų | 102.9 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.3 | -40.7 | 173.8 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | Q785 L786 A792 A793 | Q785-V789 WeakPolarHBondContact O-CB 3.32Å; Q785-V789 VanDerWaalsContact O-CG2 3.29Å; Q785-V789 WeakPolarHBondContact O-CG2 3.49Å; Q785-V789 PolarHBondContact O-N 3.5Å; L786-V789 PolarHBondContact O-N 2.9Å; V789-A792 PolarHBondContact O-N 3.47Å; V789-A793 WeakPolarHBondContact O-CB 3.46Å; V789-A793 PolarHBondContact O-N 2.89Å |
| 790 | A | 83.1 | Confident | 78.4 | Confident | 46 Ų | 46 | 103.2 Ų | 103.2 | 38% | 0.38 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.4 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L786 G787 A793 H794 | L786-A790 WeakPolarHBondContact O-CB 3.24Å; L786-A790 PolarHBondContact O-N 3.14Å; G787-A790 PolarHBondContact O-N 3.17Å; A790-A793 PolarHBondContact O-N 3.35Å; A790-H794 PolarHBondContact O-CD2 3.37Å; A790-H794 PolarHBondContact O-N 3.02Å |
| 791 | A | 82.2 | Confident | 75.9 | Confident | 55 Ų | 55 | 108.4 Ų | 108.4 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.6 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | G787 A788 A793 H794 L795 | G787-A791 WeakPolarHBondContact O-CB 3.4Å; G787-A791 PolarHBondContact O-N 2.96Å; A788-A791 PolarHBondContact O-N 3.18Å; A791-A793 VanDerWaalsContact C-N 3.33Å; A791-A793 PolarHBondContact O-N 2.99Å; A791-H794 PolarHBondContact O-N 2.94Å; A791-L795 WeakPolarHBondContact O-CG 3.32Å; A791-L795 PolarHBondContact O-N 3.27Å |
| 792 | A | 79.9 | Confident | 73.6 | Confident | 44 Ų | 44 | 111.3 Ų | 111.3 | 36% | 0.364 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64 | -35.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A788 V789 L795 K796 | A788-A792 WeakPolarHBondContact O-CB 3.38Å; A788-A792 PolarHBondContact O-N 3.25Å; V789-A792 PolarHBondContact O-N 3.47Å; A792-L795 PolarHBondContact O-N 3.47Å; A792-K796 WeakPolarHBondContact O-CG 3.45Å; A792-K796 PolarHBondContact O-N 3.32Å |
| 793 | A | 76.3 | Confident | 71 | Confident | 45 Ų | 45 | 111.9 Ų | 111.9 | 37% | 0.372 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.3 | -40 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V789 A790 A791 L795 K796 N797 | V789-A793 WeakPolarHBondContact O-CB 3.46Å; V789-A793 PolarHBondContact O-N 2.89Å; A790-A793 PolarHBondContact O-N 3.35Å; A791-A793 VanDerWaalsContact C-N 3.33Å; A791-A793 PolarHBondContact O-N 2.99Å; A793-L795 VanDerWaalsContact C-N 3.32Å; A793-L795 PolarHBondContact O-N 3.37Å; A793-K796 PolarHBondContact O-N 2.67Å; A793-N797 PolarHBondContact O-N 3.41Å; A793-N797 PolarHBondContact O-ND2 2.92Å |
| 794 | H | 74.3 | Confident | 68.7 | Low | 146 Ų | 146 | 113.4 Ų | 113.4 | 68% | 0.676 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -62.2 | -37.4 | 172.4 | -88.9 | -73.8 | 0 | 0 | 0 | 112.7 | A790 A791 | A790-H794 PolarHBondContact O-CD2 3.37Å; A790-H794 PolarHBondContact O-N 3.02Å; A791-H794 PolarHBondContact O-N 2.94Å |
| 795 | L | 68.4 | Low | 66.1 | Low | 129 Ų | 129 | 112.9 Ų | 112.9 | 68% | 0.675 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.7 | -44.4 | 173.4 | -70.7 | 171 | 0 | 0 | 0 | 111.9 | A791 A792 A793 N797 R798 | A791-L795 WeakPolarHBondContact O-CG 3.32Å; A791-L795 PolarHBondContact O-N 3.27Å; A792-L795 PolarHBondContact O-N 3.47Å; A793-L795 VanDerWaalsContact C-N 3.32Å; A793-L795 PolarHBondContact O-N 3.37Å; L795-N797 VanDerWaalsContact C-N 3.27Å; L795-N797 PolarHBondContact O-N 2.93Å; L795-R798 PolarHBondContact O-N 2.88Å |
| 796 | K | 61.8 | Low | 63.8 | Low | 180 Ų | 180 | 114.6 Ų | 114.6 | 78% | 0.783 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.5 | -28 | 177.6 | -75.4 | -179.8 | 178.6 | -177.7 | 0 | 113.8 | A792 A793 R798 | A792-K796 WeakPolarHBondContact O-CG 3.45Å; A792-K796 PolarHBondContact O-N 3.32Å; A793-K796 PolarHBondContact O-N 2.67Å; K796-R798 VanDerWaalsContact C-N 3.3Å; K796-R798 PolarHBondContact O-N 2.95Å |
| 797 | N | 58.6 | Low | 61.6 | Low | 139 Ų | 139 | 113.5 Ų | 113.5 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -8.3 | 174.1 | -82.7 | -43.9 | 0 | 0 | 0 | 114.3 | A793 L795 Q799 | A793-N797 PolarHBondContact O-N 3.41Å; A793-N797 PolarHBondContact O-ND2 2.92Å; L795-N797 VanDerWaalsContact C-N 3.27Å; L795-N797 PolarHBondContact O-N 2.93Å; N797-Q799 PolarHBondContact O-N 3.38Å |
| 798 | R | 54.5 | Low | 59 | Low | 211 Ų | 211 | 117.1 Ų | 117.1 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -85.7 | 82.3 | 165.7 | -75.6 | -172.5 | 170.5 | -117.8 | 0.6 | 110 | L795 K796 | L795-R798 PolarHBondContact O-N 2.88Å; K796-R798 VanDerWaalsContact C-N 3.3Å; K796-R798 PolarHBondContact O-N 2.95Å |
| 799 | Q | 47.4 | Very low | 56.8 | Low | 180 Ų | 180 | 121.7 Ų | 121.7 | 84% | 0.841 | 69% | 0.691 | S | S | * | * | | | trans | -53.5 | 132.9 | 169.7 | -79.8 | -168.3 | -17 | 0 | 0 | 110.8 | N797 R801 | N797-Q799 PolarHBondContact O-N 3.38Å; Q799-R801 PolarHBondContact O-N 3.34Å |
| 800 | P | 46.7 | Very low | 54.5 | Low | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | | | trans | -70.9 | 113.6 | 174.7 | 28.5 | -32.8 | 0 | 0 | 0 | 109.7 | P802 | P800-P802 WeakPolarHBondContact O-CD 3.4Š|
| 801 | R | 43.3 | Very low | 52.6 | Low | 224 Ų | 224 | 127 Ų | 127 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | | | trans | -61.9 | 119.6 | 172.8 | 174.1 | 179.2 | 172.4 | 174.5 | -1.7 | 109.4 | Q799 | Q799-R801 PolarHBondContact O-N 3.34Š|
| 802 | P | 43.6 | Very low | 50.5 | Low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -70 | 141 | 174 | 29.4 | -33.8 | 0 | 0 | 0 | 110.4 | P800 | P800-P802 WeakPolarHBondContact O-CD 3.4Š|
| 803 | G | 40 | Very low | 48.4 | Very low | 72 Ų | 72 | 133.8 Ų | 133.8 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | | | trans | 95.8 | 72.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 804 | S | 44.2 | Very low | 46.5 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | -151.8 | 99.7 | 150 | 55.7 | 0 | 0 | 0 | 0 | 109.4 | L806 | S804-L806 PolarHBondContact O-N 3.49Š|
| 805 | S | 37.9 | Very low | 44.6 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | | | trans | -76.9 | 107.8 | -173.9 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 806 | L | 43.2 | Very low | 43.1 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | | | trans | -137.9 | 120.9 | 168.7 | -73.8 | 177.1 | 0 | 0 | 0 | 111.4 | S804 | S804-L806 PolarHBondContact O-N 3.49Š|
| 807 | S | 41.9 | Very low | 41.8 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | | | trans | 31.8 | 90.7 | 154.6 | 57.7 | 0 | 0 | 0 | 0 | 118.1 | I809 | S807-I809 PolarHBondContact O-N 3.06Å; S807-I809 VanDerWaalsContact O-N 3.09Å |
| 808 | S | 37.9 | Very low | 40.6 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | | | trans | -62.9 | 105.4 | 161 | -49.5 | 0 | 0 | 0 | 0 | 110.3 | N810 | S808-N810 VanDerWaalsContact C-N 3.31Å; S808-N810 PolarHBondContact O-N 3.31Å |
| 809 | I | 41 | Very low | 39.9 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | trans | -73.4 | 93 | 165.9 | -63.1 | 179.6 | 0 | 0 | 0 | 107 | S807 I811 | S807-I809 PolarHBondContact O-N 3.06Å; S807-I809 VanDerWaalsContact O-N 3.09Å; I809-I811 HydrophobicContact CG2-CG1 4.15Å; I809-I811 PolarHBondContact O-N 2.72Å; I809-I811 VanDerWaalsContact O-N 3.14Å |
| 810 | N | 38.4 | Very low | 39.1 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 60% | 0.599 | 75% | 0.746 | S | S | * | * | | | trans | -80.7 | 90.4 | -173.7 | -173.6 | 29.8 | 0 | 0 | 0 | 111.2 | S808 N812 | S808-N810 VanDerWaalsContact C-N 3.31Å; S808-N810 PolarHBondContact O-N 3.31Å; N810-N812 PolarHBondContact ND2-ND2 2.88Å; N810-N812 VanDerWaalsContact ND2-ND2 3.17Å; N810-N812 PolarHBondContact O-N 2.82Å; N810-N812 PolarHBondContact OD1-OD1 3.2Å |
| 811 | I | 43.8 | Very low | 38.3 | Very low | 128 Ų | 128 | 128 Ų | 128 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | | | trans | -79.9 | 60.2 | 172.9 | -47 | -176.3 | 0 | 0 | 0 | 109.8 | I809 T813 | I809-I811 HydrophobicContact CG2-CG1 4.15Å; I809-I811 PolarHBondContact O-N 2.72Å; I809-I811 VanDerWaalsContact O-N 3.14Å; I811-T813 VanDerWaalsContact C-N 3.27Å; I811-T813 HydrophobicContact CG2-CG2 3.79Å; I811-T813 PolarHBondContact O-N 2.73Å; I811-T813 VanDerWaalsContact O-N 3.11Å |
| 812 | N | 37 | Very low | 37.8 | Very low | 116 Ų | 116 | 123 Ų | 123 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | | | trans | -78.8 | 78.2 | 164.3 | -84.2 | -2.1 | 0 | 0 | 0 | 108.6 | N810 T814 | N810-N812 PolarHBondContact ND2-ND2 2.88Å; N810-N812 VanDerWaalsContact ND2-ND2 3.17Å; N810-N812 PolarHBondContact O-N 2.82Å; N810-N812 PolarHBondContact OD1-OD1 3.2Å; N812-T814 PolarHBondContact O-N 2.64Å; N812-T814 VanDerWaalsContact O-N 3.08Å |
| 813 | T | 36.4 | Very low | 37.3 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | | | trans | -84.6 | 55 | 173.1 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | I811 | I811-T813 VanDerWaalsContact C-N 3.27Å; I811-T813 HydrophobicContact CG2-CG2 3.79Å; I811-T813 PolarHBondContact O-N 2.73Å; I811-T813 VanDerWaalsContact O-N 3.11Å |
| 814 | T | 36.4 | Very low | 37.1 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 64% | 0.644 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -132.3 | 141 | 158.2 | 59 | 0 | 0 | 0 | 0 | 109.8 | N812 | N812-T814 PolarHBondContact O-N 2.64Å; N812-T814 VanDerWaalsContact O-N 3.08Å |
| 815 | N | 34.7 | Very low | 36.8 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | | | trans | 48.9 | 124.3 | 163.2 | 72.5 | -64.4 | 0 | 0 | 0 | 121 | | |
| 816 | E | 37.2 | Very low | 36.9 | Very low | 183 Ų | 183 | 129.1 Ų | 129.1 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | | | trans | 96.9 | 129.7 | 151.5 | -50.1 | -162.9 | -157.9 | 0 | 0 | 120.2 | | |
| 817 | G | 34.1 | Very low | 36.6 | Very low | 57 Ų | 57 | 127.6 Ų | 127.6 | 59% | 0.588 | 73% | 0.734 | S | S | * | * | | | | 113.6 | 10.7 | 128.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | I819 | G817-I819 PolarHBondContact O-N 3.26Š|
| 818 | N | 33.5 | Very low | 36.4 | Very low | 162 Ų | 162 | 126.4 Ų | 126.4 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | | | trans | -76.5 | 82.3 | 166.1 | -165.2 | 18.1 | 0 | 0 | 0 | 110.6 | I820 | N818-I820 PolarHBondContact O-N 3.39Š|
| 819 | I | 38.9 | Very low | 36.4 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | | | trans | -83.5 | 110.1 | -170.7 | -69.8 | 167.8 | 0 | 0 | 0 | 110.5 | G817 T821 | G817-I819 PolarHBondContact O-N 3.26Å; I819-T821 VanDerWaalsContact C-N 3.35Å; I819-T821 VanDerWaalsContact CG2-N 3.29Å; I819-T821 WeakPolarHBondContact CG2-O 3.26Å |
| 820 | I | 30.9 | Very low | 36.2 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 86% | 0.862 | 74% | 0.737 | S | S | * | * | | | trans | -102.3 | 60.8 | 152.1 | -48.4 | -177.8 | 0 | 0 | 0 | 108.1 | N818 | N818-I820 PolarHBondContact O-N 3.39Š|
| 821 | T | 30.6 | Very low | 36.2 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -133.1 | 118.3 | 171.7 | -47.8 | 0 | 0 | 0 | 0 | 108.5 | I819 | I819-T821 VanDerWaalsContact C-N 3.35Å; I819-T821 VanDerWaalsContact CG2-N 3.29Å; I819-T821 WeakPolarHBondContact CG2-O 3.26Å |
| 822 | T | 32.9 | Very low | 35.9 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | | | trans | -58.1 | 142.9 | -179.8 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | N824 | T822-N824 PolarHBondContact O-N 2.9Š|
| 823 | T | 32.1 | Very low | 35.8 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | | | trans | -71.4 | 110.2 | 179.4 | 30 | 0 | 0 | 0 | 0 | 113.3 | | |
| 824 | N | 35.4 | Very low | 35.7 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | | | trans | -162.1 | 98.5 | 157 | 35.6 | 22 | 0 | 0 | 0 | 116.1 | T822 | T822-N824 PolarHBondContact O-N 2.9Š|
| 825 | N | 38.8 | Very low | 35.5 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | | 69.1 | 111.8 | 128.1 | -53.6 | -15.3 | 0 | 0 | 0 | 122 | | |
| 826 | N | 39.8 | Very low | 35.4 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | 81.5 | 134 | 132.2 | -58.2 | -12.3 | 0 | 0 | 0 | 122.1 | | |
| 827 | S | 37.4 | Very low | 35 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | | | trans | 68.3 | 110.9 | 147.6 | -176.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 828 | G | 36.5 | Very low | 35 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | 178.2 | 50.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 829 | T | 38.2 | Very low | 34.7 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | -45.3 | 132.4 | 179.9 | -37.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 830 | I | 36.7 | Very low | 34.5 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | | 172 | 138.2 | 123 | -89 | 160.1 | 0 | 0 | 0 | 110.8 | | |
| 831 | P | 39 | Very low | 34.4 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | trans | -104 | 161.9 | -172.7 | 39.5 | -35.5 | 0 | 0 | 0 | 115.1 | | |
| 832 | G | 37 | Very low | 34.5 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | trans | -171.8 | 130.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 833 | V | 35.6 | Very low | 34.4 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 90% | 0.903 | 79% | 0.792 | S | S | * | * | | | trans | 57.7 | 103.7 | 168.6 | -167.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 834 | G | 33.6 | Very low | 34.3 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | -92.9 | 155.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 835 | I | 32.8 | Very low | 34 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -106.6 | 123.3 | 174.7 | -25.2 | 176.3 | 0 | 0 | 0 | 108.5 | | |
| 836 | V | 32.3 | Very low | 33.5 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | trans | -119.5 | 102.7 | 178.8 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | T838 | V836-T838 HydrophobicContact CG1-CG2 3.84Å; V836-T838 PolarHBondContact O-N 3.48Å |
| 837 | S | 28.8 | Very low | 33.1 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | trans | -93.2 | 83.3 | 174.6 | -61 | 0 | 0 | 0 | 0 | 110.6 | | |
| 838 | T | 33.4 | Very low | 32.7 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | | | trans | -96.6 | 120 | 170.6 | 44.9 | 0 | 0 | 0 | 0 | 111 | V836 T840 | V836-T838 HydrophobicContact CG1-CG2 3.84Å; V836-T838 PolarHBondContact O-N 3.48Å; T838-T840 PolarHBondContact O-N 2.78Å |
| 839 | L | 27.7 | Very low | 32.4 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | | | trans | -66.4 | 118 | 169 | -80.7 | 67.4 | 0 | 0 | 0 | 109.9 | | |
| 840 | T | 34.7 | Very low | 32 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -136.9 | 142.2 | 155 | 49.3 | 0 | 0 | 0 | 0 | 108.8 | T838 | T838-T840 PolarHBondContact O-N 2.78Š|
| 841 | N | 29.2 | Very low | 32.2 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -60.5 | 156.7 | 175.8 | -49.1 | -47 | 0 | 0 | 0 | 111 | | |
| 842 | N | 32.4 | Very low | 32 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | | 173.4 | 115.2 | 128.3 | -83.1 | -11.1 | 0 | 0 | 0 | 110.6 | | |
| 843 | E | 31.5 | Very low | 31.8 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | 30.8 | 140.2 | 145.9 | -56 | -177.6 | -156.9 | 0 | 0 | 122.2 | | |
| 844 | N | 30.1 | Very low | 31.7 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | 65.3 | 98.8 | 170.7 | -64.3 | -25.2 | 0 | 0 | 0 | 118.5 | | |
| 845 | C | 28.8 | Very low | 31.7 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | | | | -155.9 | 152.2 | 117.2 | -134.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 846 | T | 28.8 | Very low | 31.9 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | trans | -95.2 | -168.6 | 171.9 | 48.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 847 | I | 30.3 | Very low | 32 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | | | trans | 92.2 | 155.7 | 173 | -52.4 | 159.9 | 0 | 0 | 0 | 113.9 | | |
| 848 | L | 29.5 | Very low | 32.2 | Very low | 146 Ų | 146 | 152.7 Ų | 152.7 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | 69.2 | 76 | -172.5 | -52.9 | -173.7 | 0 | 0 | 0 | 115.2 | | |
| 849 | K | 29.2 | Very low | 32 | Very low | 188 Ų | 188 | 152.3 Ų | 152.3 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | trans | -130.6 | 38.5 | 156.3 | -156.2 | 174.2 | 179.3 | 177.2 | 0 | 112.2 | S851 | K849-S851 PolarHBondContact O-N 3.22Å; K849-S851 PolarHBondContact O-OG 2.96Å |
| 850 | D | 31.5 | Very low | 32.5 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | -61 | 108.6 | 162.5 | -62.9 | -56.2 | 0 | 0 | 0 | 107.8 | I852 | D850-I852 PolarHBondContact O-N 3.49Š|
| 851 | S | 39.7 | Very low | 32.3 | Very low | 97 Ų | 97 | 150.9 Ų | 150.9 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | trans | -88.7 | 109.8 | -171.8 | -62.2 | 0 | 0 | 0 | 0 | 108.9 | K849 E853 | K849-S851 PolarHBondContact O-N 3.22Å; K849-S851 PolarHBondContact O-OG 2.96Å; S851-E853 PolarHBondContact O-N 2.91Å |
| 852 | I | 35.1 | Very low | 32.5 | Very low | 148 Ų | 148 | 149 Ų | 149 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | trans | -57.5 | 121 | 175.9 | -59.9 | 172.6 | 0 | 0 | 0 | 108.5 | D850 F854 | D850-I852 PolarHBondContact O-N 3.49Å; I852-F854 HydrophobicContact CG2-CD2 4.02Å; I852-F854 HydrophobicContact CG2-CE2 4.39Å; I852-F854 PolarHBondContact O-N 3.19Å |
| 853 | E | 32.1 | Very low | 32.4 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -76.3 | 85.6 | -170.8 | -167.6 | 165.3 | -142.6 | 0 | 0 | 111 | S851 T855 | S851-E853 PolarHBondContact O-N 2.91Å; E853-T855 HydrophobicContact CG-CG2 4.41Å; E853-T855 PolarHBondContact O-N 3.22Å |
| 854 | F | 34.5 | Very low | 32.4 | Very low | 198 Ų | 198 | 147 Ų | 147 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | trans | -92.4 | 87.1 | 178.9 | -113.9 | -80.9 | 0 | 0 | 0 | 111.3 | I852 | I852-F854 HydrophobicContact CG2-CD2 4.02Å; I852-F854 HydrophobicContact CG2-CE2 4.39Å; I852-F854 PolarHBondContact O-N 3.19Å |
| 855 | T | 32.7 | Very low | 32.6 | Very low | 114 Ų | 114 | 145 Ų | 145 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | -95 | 94.4 | 171.7 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | E853 | E853-T855 HydrophobicContact CG-CG2 4.41Å; E853-T855 PolarHBondContact O-N 3.22Å |
| 856 | D | 37.5 | Very low | 32.9 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | trans | -165.6 | 113.6 | 151.8 | -110.4 | -29 | 0 | 0 | 0 | 111.6 | Q858 | D856-Q858 VanDerWaalsContact C-N 3.29Å; D856-Q858 PolarHBondContact O-N 3.47Å |
| 857 | Y | 34 | Very low | 33.1 | Very low | 237 Ų | 237 | 145.9 Ų | 145.9 | 93% | 0.929 | 76% | 0.763 | S | S | * | * | | | trans | -90.2 | 56.1 | 177.3 | -107.5 | -82.1 | 0 | 0 | 0 | 111.8 | | |
| 858 | Q | 33.2 | Very low | 33.5 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | | | trans | -78.6 | 121.6 | 164.7 | -169.3 | 67 | 31.1 | 0 | 0 | 108.7 | D856 P860 | D856-Q858 VanDerWaalsContact C-N 3.29Å; D856-Q858 PolarHBondContact O-N 3.47Å; Q858-P860 WeakPolarHBondContact O-CD 3.44Å |
| 859 | S | 29.8 | Very low | 34 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | trans | -56.8 | 118.2 | -169.4 | -49.5 | 0 | 0 | 0 | 0 | 113.3 | L861 | S859-L861 PolarHBondContact O-N 3.29Š|
| 860 | P | 37.5 | Very low | 34.1 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -73.3 | 97.8 | 170.9 | 29.5 | -32.3 | 0 | 0 | 0 | 109.1 | Q858 T862 | Q858-P860 WeakPolarHBondContact O-CD 3.44Å; P860-T862 PolarHBondContact O-N 2.84Å |
| 861 | L | 31 | Very low | 34.3 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | -58.3 | 108.9 | 159.8 | -93.2 | 165.1 | 0 | 0 | 0 | 107.8 | S859 V863 | S859-L861 PolarHBondContact O-N 3.29Å; L861-V863 HydrophobicContact CB-CG2 4.31Å; L861-V863 PolarHBondContact O-N 3.1Å |
| 862 | T | 33.2 | Very low | 34 | Very low | 109 Ų | 109 | 146 Ų | 146 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | | | trans | -70.9 | 73.7 | 174.2 | -48.8 | 0 | 0 | 0 | 0 | 110.1 | P860 F864 | P860-T862 PolarHBondContact O-N 2.84Å; T862-F864 HydrophobicContact CG2-CD2 4.03Å; T862-F864 HydrophobicContact CG2-CE2 3.69Å; T862-F864 HydrophobicContact CG2-CZ 4.21Å; T862-F864 PolarHBondContact O-N 2.92Å |
| 863 | V | 30.8 | Very low | 34 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | trans | -69 | 101.9 | 168.9 | -178 | 0 | 0 | 0 | 0 | 107 | L861 T865 | L861-V863 HydrophobicContact CB-CG2 4.31Å; L861-V863 PolarHBondContact O-N 3.1Å; V863-T865 VanDerWaalsContact C-N 3.25Å; V863-T865 HydrophobicContact CG1-CG2 4.03Å; V863-T865 PolarHBondContact O-N 3.19Å |
| 864 | F | 31.6 | Very low | 34.2 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -67 | 88.3 | 167.1 | -79.9 | -89.6 | 0 | 0 | 0 | 109 | T862 V866 | T862-F864 HydrophobicContact CG2-CD2 4.03Å; T862-F864 HydrophobicContact CG2-CE2 3.69Å; T862-F864 HydrophobicContact CG2-CZ 4.21Å; T862-F864 PolarHBondContact O-N 2.92Å; F864-V866 VanDerWaalsContact C-N 3.33Å; F864-V866 PolarHBondContact O-N 3.26Å |
| 865 | T | 34 | Very low | 34.1 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | trans | -68.4 | 91.6 | 168.5 | 49.8 | 0 | 0 | 0 | 0 | 108.8 | V863 D867 | V863-T865 VanDerWaalsContact C-N 3.25Å; V863-T865 HydrophobicContact CG1-CG2 4.03Å; V863-T865 PolarHBondContact O-N 3.19Å; T865-D867 PolarHBondContact O-N 3.42Å |
| 866 | V | 34.8 | Very low | 34.1 | Very low | 114 Ų | 114 | 149 Ų | 149 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | | | trans | -72.9 | 93.5 | 171.4 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | F864 T868 | F864-V866 VanDerWaalsContact C-N 3.33Å; F864-V866 PolarHBondContact O-N 3.26Å; V866-T868 PolarHBondContact O-N 3.49Å; V866-T868 PolarHBondContact O-OG1 2.99Å |
| 867 | D | 32.8 | Very low | 33.9 | Very low | 157 Ų | 157 | 146 Ų | 146 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | trans | -54.9 | 105.5 | 172.6 | -97.5 | -42.7 | 0 | 0 | 0 | 109.9 | T865 | T865-D867 PolarHBondContact O-N 3.42Š|
| 868 | T | 39 | Very low | 34 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | -112.2 | 112.2 | 179.4 | -52.4 | 0 | 0 | 0 | 0 | 106.9 | V866 | V866-T868 PolarHBondContact O-N 3.49Å; V866-T868 PolarHBondContact O-OG1 2.99Å |
| 869 | P | 39.9 | Very low | 34.2 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | trans | -67.3 | 147.9 | -169 | 25.8 | -34.2 | 0 | 0 | 0 | 112.4 | | |
| 870 | N | 30.8 | Very low | 34.6 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | | | trans | -39.8 | 134.2 | -179.2 | -82.7 | -74.7 | 0 | 0 | 0 | 114.9 | | |
| 871 | H | 36.2 | Very low | 34.5 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | | | trans | -139 | 125.9 | 140 | -122.1 | -72.7 | 0 | 0 | 0 | 111.1 | | |
| 872 | H | 33.1 | Very low | 34.9 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | trans | -64.5 | 137 | 167.4 | -66.6 | -0.1 | 0 | 0 | 0 | 109.9 | | |
| 873 | H | 36.1 | Very low | 34.9 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | | | | -165.4 | 170.4 | 112.2 | -114.5 | 9.5 | 0 | 0 | 0 | 114.9 | | |
| 874 | H | 34.8 | Very low | 35.2 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | | | trans | -62.8 | 142.9 | -173.9 | -93.9 | -96.8 | 0 | 0 | 0 | 114.2 | N876 | H874-N876 PolarHBondContact O-N 2.97Š|
| 875 | H | 33.8 | Very low | 35.1 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | | | trans | -63 | 126.4 | 156.2 | -127.2 | -78.8 | 0 | 0 | 0 | 109.8 | | |
| 876 | N | 32.7 | Very low | 35.1 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | | | trans | -144.7 | 144 | 154.8 | -165.6 | 8.4 | 0 | 0 | 0 | 109.5 | H874 | H874-N876 PolarHBondContact O-N 2.97Š|
| 877 | S | 33.6 | Very low | 34.9 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | trans | -90.5 | 131.8 | -169.2 | -54.6 | 0 | 0 | 0 | 0 | 112 | | |
| 878 | N | 35.7 | Very low | 35 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | -170 | 141.9 | 130.8 | -117 | -58.4 | 0 | 0 | 0 | 116.8 | | |
| 879 | S | 37.6 | Very low | 34.9 | Very low | 85 Ų | 85 | 145.3 Ų | 145.3 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | | | trans | 58.1 | 129.3 | 135 | -75 | 0 | 0 | 0 | 0 | 124 | | |
| 880 | N | 37.5 | Very low | 34.6 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 68% | 0.684 | 75% | 0.754 | S | S | * | * | | | trans | 82.3 | 99.9 | 132.4 | -62.5 | -16.2 | 0 | 0 | 0 | 122.5 | | |
| 881 | N | 35.2 | Very low | 35 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | | 74.9 | 146.6 | 115.5 | -59.6 | -16.9 | 0 | 0 | 0 | 122.7 | | |
| 882 | H | 40.8 | Very low | 34.9 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | | | trans | 65.6 | 119.8 | 175.1 | -58.6 | -54 | 0 | 0 | 0 | 116.1 | | |
| 883 | N | 31.7 | Very low | 34.8 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | | | | 69.8 | 99.7 | 51.5 | -177.9 | 50.5 | 0 | 0 | 0 | 114.3 | | |
| 884 | V | 38.3 | Very low | 34.7 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | | | | -150.9 | 141.3 | 120.2 | 176.1 | 0 | 0 | 0 | 0 | 108 | F886 | V884-F886 HydrophobicContact CG1-CD2 3.92Å; V884-F886 HydrophobicContact CG1-CE2 4.32Å |
| 885 | N | 28.6 | Very low | 34.7 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | trans | -95.7 | 133.3 | 169.1 | 178.8 | 4.3 | 0 | 0 | 0 | 110 | | |
| 886 | F | 34 | Very low | 34.7 | Very low | 190 Ų | 190 | 133.8 Ų | 133.8 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | | | trans | -134.8 | 133.5 | 168 | -110.8 | -83.5 | 0 | 0 | 0 | 110.3 | V884 | V884-F886 HydrophobicContact CG1-CD2 3.92Å; V884-F886 HydrophobicContact CG1-CE2 4.32Å |
| 887 | N | 30 | Very low | 34.7 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | trans | -142.3 | 117.8 | -168 | -178.6 | 4.3 | 0 | 0 | 0 | 109.5 | | |
| 888 | Q | 35.6 | Very low | 34.8 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | | | trans | -155.2 | 106.2 | 174.7 | -126.4 | 170.5 | 35.1 | 0 | 0 | 115.4 | | |
| 889 | T | 36.3 | Very low | 34.6 | Very low | 105 Ų | 105 | 133 Ų | 133 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | | | trans | 70.4 | 136 | 135.1 | 52.6 | 0 | 0 | 0 | 0 | 123.4 | | |
| 890 | N | 34.9 | Very low | 34.5 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | 78.1 | 136.6 | 154.5 | -57.5 | -11.5 | 0 | 0 | 0 | 118.9 | | |
| 891 | S | 39 | Very low | 34.5 | Very low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | | | cis | -165.7 | 159.7 | -14.6 | -102 | 0 | 0 | 0 | 0 | 111.9 | | |
| 892 | N | 33 | Very low | 34.3 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | 65 | 92.7 | 157.7 | -60 | -3.5 | 0 | 0 | 0 | 120 | | |
| 893 | C | 31.9 | Very low | 34 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | | | | -144.4 | 144.8 | 127.1 | -166.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 894 | I | 34.7 | Very low | 34.2 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | trans | -110.8 | 124.8 | -170.6 | -62.9 | 174.9 | 0 | 0 | 0 | 110.7 | | |
| 895 | T | 33.7 | Very low | 33.9 | Very low | 126 Ų | 126 | 135 Ų | 135 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -132.2 | 129.9 | 161.4 | 44.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 896 | P | 34.6 | Very low | 34 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | | | trans | -99.6 | 112.5 | 175 | 33.9 | -28.1 | 0 | 0 | 0 | 111.5 | | |
| 897 | T | 32.7 | Very low | 33.9 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | | | trans | -123.3 | 114.6 | 156.2 | 46.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 898 | S | 35.4 | Very low | 33.9 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | -91.5 | 136.6 | -178.3 | 39 | 0 | 0 | 0 | 0 | 111.2 | | |
| 899 | S | 30.7 | Very low | 33.7 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -124 | 129.5 | 177.8 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 900 | L | 36.5 | Very low | 33.5 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | trans | -154.6 | 151 | 172.2 | -75.5 | 103.5 | 0 | 0 | 0 | 107.2 | | |
| 901 | N | 36.4 | Very low | 33.3 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | cis | -157.5 | 169.1 | -26.3 | -170.6 | 4.1 | 0 | 0 | 0 | 106.6 | | |
| 902 | N | 30.8 | Very low | 33 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | | | trans | -61 | 147.8 | -179.9 | -55.5 | -89.7 | 0 | 0 | 0 | 113.6 | | |
| 903 | N | 35.3 | Very low | 33 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | | | | 170.4 | 131.6 | 110.4 | -90.7 | -59.9 | 0 | 0 | 0 | 116 | | |
| 904 | Q | 34.6 | Very low | 33.2 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | trans | 67.5 | 129 | 131.3 | -68.1 | 178.5 | 51.1 | 0 | 0 | 125.2 | | |
| 905 | S | 33.2 | Very low | 33.1 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | | | trans | 87.8 | 86.6 | 130.5 | -61.1 | 0 | 0 | 0 | 0 | 124.3 | | |
| 906 | S | 29.5 | Very low | 33.2 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | | 43 | 116 | 117.3 | 65.2 | 0 | 0 | 0 | 0 | 124.1 | | |
| 907 | C | 31.9 | Very low | 33.1 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | trans | -177.7 | 155.5 | 143.4 | 54 | 0 | 0 | 0 | 0 | 111 | | |
| 908 | F | 30.7 | Very low | 33.2 | Very low | 182 Ų | 182 | 126.6 Ų | 126.6 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | | | cis | -170.6 | 131.8 | -32 | -125.8 | -80.8 | 0 | 0 | 0 | 107.8 | | |
| 909 | T | 31.3 | Very low | 33.1 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | 60.1 | 146.4 | 161.3 | 48.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 910 | S | 32.6 | Very low | 33.1 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | cis | -171.2 | -175.6 | -5 | -103.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 911 | L | 31.2 | Very low | 32.9 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | 85.1 | 149.4 | 172.9 | -52.9 | 176.7 | 0 | 0 | 0 | 116.2 | | |
| 912 | A | 32.9 | Very low | 32.8 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | | | cis | 90.3 | 143.2 | 17.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 913 | S | 32.8 | Very low | 32.6 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | cis | -171.4 | 165.8 | 4.5 | -110.7 | 0 | 0 | 0 | 0 | 110 | | |
| 914 | I | 35.1 | Very low | 32.5 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | cis | -170.2 | 156.9 | -14.6 | -151.5 | 176.4 | 0 | 0 | 0 | 111.6 | | |
| 915 | N | 34.1 | Very low | 32.2 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | 61.5 | 159.7 | 160.6 | -65.9 | -14.1 | 0 | 0 | 0 | 122.4 | | |
| 916 | S | 33.9 | Very low | 32.2 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | cis | -177.2 | 157.8 | -35.1 | -159.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 917 | I | 34.4 | Very low | 32.2 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | trans | 70.4 | 156.1 | 165.8 | -68.6 | 164.6 | 0 | 0 | 0 | 117.2 | | |
| 918 | G | 33.3 | Very low | 32.4 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | cis | 127.8 | 145.9 | -2.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 919 | G | 34.1 | Very low | 32.5 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | | | cis | 177.5 | -163.3 | -0.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 920 | F | 31.2 | Very low | 32.4 | Very low | 226 Ų | 226 | 131.2 Ų | 131.2 | 99% | 0.991 | 78% | 0.78 | S | S | * | * | | | trans | 89.4 | 177.3 | 171.1 | -79.7 | -84.7 | 0 | 0 | 0 | 122.4 | | |
| 921 | N | 31.5 | Very low | 32.4 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | trans | -155.7 | 159.9 | -139.3 | -179.1 | 6.9 | 0 | 0 | 0 | 114.5 | | |
| 922 | V | 34.4 | Very low | 32.3 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | 148.7 | 141.7 | 137.2 | 168.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 923 | N | 27.6 | Very low | 32.3 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | -58.8 | 152 | -173.5 | -45.3 | -21.8 | 0 | 0 | 0 | 120.9 | | |
| 924 | Q | 32.5 | Very low | 32.1 | Very low | 179 Ų | 179 | 133 Ų | 133 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | | 166.7 | 124.1 | 113.9 | -90 | 178.7 | 72.8 | 0 | 0 | 110.9 | | |
| 925 | T | 27.5 | Very low | 31.9 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | | | | 74.6 | 109.5 | 73.7 | -46.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 926 | I | 33.6 | Very low | 31.7 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | | | trans | 176 | 143.7 | 130 | -89.5 | 159.6 | 0 | 0 | 0 | 112.5 | | |
| 927 | S | 29.6 | Very low | 31.5 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | -36.9 | 159 | -173.2 | -47 | 0 | 0 | 0 | 0 | 123.7 | | |
| 928 | P | 35.5 | Very low | 31.4 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | -104.9 | 173.9 | 172.7 | 41.9 | -35.7 | 0 | 0 | 0 | 114.9 | | |
| 929 | T | 33.7 | Very low | 31.3 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | | | trans | -141.8 | 152 | 162.1 | 45.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 930 | N | 28.4 | Very low | 31.2 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -86.5 | 158 | -171.9 | -47 | -51.8 | 0 | 0 | 0 | 114.1 | | |
| 931 | T | 33.1 | Very low | 31.1 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | | | | -159.9 | 162.3 | 118.4 | 12.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 932 | S | 29 | Very low | 30.9 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | -132.5 | 128.3 | -158.8 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 933 | S | 32.7 | Very low | 30.7 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -163.1 | 104.6 | 153.9 | 54.2 | 0 | 0 | 0 | 0 | 109 | | |
| 934 | S | 29.1 | Very low | 31 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | | 78 | 58.4 | 78.1 | -173.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 935 | S | 31.8 | Very low | 31 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -167.6 | 103.9 | 141.4 | -80.9 | 0 | 0 | 0 | 0 | 111 | | |
| 936 | T | 29.8 | Very low | 31.3 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | | | trans | -57.5 | 132.3 | 168.2 | 42.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 937 | S | 28.1 | Very low | 31.3 | Very low | 80 Ų | 80 | 133.5 Ų | 133.5 | 56% | 0.559 | 79% | 0.786 | S | S | * | * | | | cis | 59.7 | 133.4 | 8.2 | 100.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 938 | E | 33.3 | Very low | 31.3 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 66% | 0.659 | 79% | 0.793 | S | S | * | * | | | cis | -122.3 | 168.3 | -7.2 | -73.3 | 95.7 | -136.5 | 0 | 0 | 109 | I940 | E938-I940 HydrophobicContact CB-CG1 4.31Š|
| 939 | I | 30.8 | Very low | 31.3 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | cis | 55.4 | 51.9 | 44.5 | -38.9 | -177.4 | 0 | 0 | 0 | 113.8 | | |
| 940 | I | 31.5 | Very low | 31.3 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | | | trans | -116 | 89.4 | 158.2 | -57 | -175.1 | 0 | 0 | 0 | 109.7 | E938 | E938-I940 HydrophobicContact CB-CG1 4.31Š|
| 941 | H | 28.8 | Very low | 31.4 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | trans | -69.2 | 140.3 | 153.9 | -117.6 | -88.8 | 0 | 0 | 0 | 108.3 | | |
| 942 | Q | 28.9 | Very low | 31.5 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | 65.7 | 122.3 | 169.9 | -49.5 | 175.3 | 16.4 | 0 | 0 | 116.4 | | |
| 943 | V | 29.7 | Very low | 31.8 | Very low | 130 Ų | 130 | 134 Ų | 134 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | | | | 165.9 | 101.2 | 111.8 | 161.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 944 | L | 33.4 | Very low | 31.8 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -166.3 | 106.9 | 138.7 | -135.3 | 66.2 | 0 | 0 | 0 | 110.4 | | |
| 945 | C | 32.6 | Very low | 32.1 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | | | trans | -90.5 | 155.7 | 160.3 | -59.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 946 | P | 34.3 | Very low | 32.3 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -125.2 | 123.3 | 147.1 | 32.5 | -21.1 | 0 | 0 | 0 | 112.7 | | |
| 947 | L | 32.5 | Very low | 32.4 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | trans | 42.9 | 99.2 | 151.3 | -68.6 | 79.6 | 0 | 0 | 0 | 118.2 | L949 | L947-L949 HydrophobicContact CD2-CD1 4.41Š|
| 948 | T | 30.9 | Very low | 32.6 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | | | trans | -63.8 | 126.7 | 139.1 | -35.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 949 | L | 35.7 | Very low | 32.7 | Very low | 141 Ų | 141 | 144.6 Ų | 144.6 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | -115.3 | 147.3 | 162 | -84.7 | 169.3 | 0 | 0 | 0 | 109.1 | L947 | L947-L949 HydrophobicContact CD2-CD1 4.41Š|
| 950 | P | 33.2 | Very low | 32.8 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | -89.9 | 162.6 | -160.4 | 35.8 | -37.7 | 0 | 0 | 0 | 114.4 | | |
| 951 | S | 30.4 | Very low | 33 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | | | trans | 41.8 | 114.7 | 148.2 | -59.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 952 | L | 35.6 | Very low | 33.4 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | | | | -136 | 130 | 121.3 | -145.5 | 72.7 | 0 | 0 | 0 | 109.8 | | |
| 953 | D | 35.3 | Very low | 33.6 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | | | trans | -82.1 | 139.7 | -167.7 | -73.6 | -79 | 0 | 0 | 0 | 114.2 | I955 | D953-I955 PolarHBondContact O-N 2.76Š|
| 954 | H | 32.6 | Very low | 34 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | trans | 26.5 | 86.3 | 132.6 | -139.3 | 87.1 | 0 | 0 | 0 | 117.6 | T956 | H954-T956 PolarHBondContact CD2-OG1 2.87Å; H954-T956 VanDerWaalsContact CD2-OG1 3.27Å; H954-T956 PolarHBondContact NE2-OG1 3.3Å; H954-T956 VanDerWaalsContact NE2-OG1 3.1Å |
| 955 | I | 36 | Very low | 34.1 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | | | trans | -111.5 | 102.1 | 151.5 | -62.9 | -177 | 0 | 0 | 0 | 108.4 | D953 M957 | D953-I955 PolarHBondContact O-N 2.76Å; I955-M957 PolarHBondContact O-N 3.25Å |
| 956 | T | 34.7 | Very low | 34.3 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 59% | 0.589 | 76% | 0.757 | S | S | * | * | | | trans | -75.6 | 110.8 | 172.4 | -43.8 | 0 | 0 | 0 | 0 | 109.8 | H954 | H954-T956 PolarHBondContact CD2-OG1 2.87Å; H954-T956 VanDerWaalsContact CD2-OG1 3.27Å; H954-T956 PolarHBondContact NE2-OG1 3.3Å; H954-T956 VanDerWaalsContact NE2-OG1 3.1Å |
| 957 | M | 33.2 | Very low | 34.2 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | trans | -126.7 | 124.2 | 155 | -87.1 | -86.1 | 73.3 | 0 | 0 | 109.2 | I955 | I955-M957 PolarHBondContact O-N 3.25Š|
| 958 | Q | 31.3 | Very low | 34.4 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | -73.5 | 130.2 | 176.5 | -65.2 | 166.8 | -23.5 | 0 | 0 | 109.2 | | |
| 959 | H | 34.8 | Very low | 34.4 | Very low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | | | trans | -141.9 | 115.1 | 147.1 | -124 | -91.2 | 0 | 0 | 0 | 109.2 | D961 | H959-D961 IonicContact ND1-OD2 3.33Å; H959-D961 PolarHBondContact ND1-OD2 3.35Å |
| 960 | T | 34.5 | Very low | 34.5 | Very low | 127 Ų | 127 | 134 Ų | 134 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | | | trans | -92.1 | 114.5 | 176.5 | 47.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 961 | D | 34.3 | Very low | 34.7 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | trans | -132.9 | 94.1 | 170.2 | -82.1 | -67.8 | 0 | 0 | 0 | 110.2 | H959 N963 | H959-D961 IonicContact ND1-OD2 3.33Å; H959-D961 PolarHBondContact ND1-OD2 3.35Å; D961-N963 PolarHBondContact O-N 3.21Å |
| 962 | S | 36.8 | Very low | 34.9 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -87.5 | 98.6 | 178.6 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 963 | N | 34.5 | Very low | 35 | Very low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | trans | -102.7 | 77.7 | 176.2 | -91.5 | -43.2 | 0 | 0 | 0 | 113.1 | D961 T965 | D961-N963 PolarHBondContact O-N 3.21Å; N963-T965 PolarHBondContact O-N 3.25Å |
| 964 | T | 38.4 | Very low | 35 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | trans | -79 | 89.5 | 155.9 | 46.5 | 0 | 0 | 0 | 0 | 109.3 | T966 | T964-T966 PolarHBondContact O-N 3.39Š|
| 965 | T | 35.1 | Very low | 35.2 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | | | trans | -75.5 | 82.8 | -179.5 | -49.4 | 0 | 0 | 0 | 0 | 111.6 | N963 | N963-T965 PolarHBondContact O-N 3.25Š|
| 966 | T | 35.8 | Very low | 35.2 | Very low | 120 Ų | 120 | 132 Ų | 132 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | -84.2 | 112.3 | 166 | -55.7 | 0 | 0 | 0 | 0 | 109.6 | T964 T968 | T964-T966 PolarHBondContact O-N 3.39Å; T966-T968 PolarHBondContact O-N 3.41Å |
| 967 | T | 32.2 | Very low | 35.2 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | trans | -67.4 | 113.6 | -179.6 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 968 | T | 36.8 | Very low | 35.4 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | | | trans | -149.6 | 125.1 | 158.4 | -60.2 | 0 | 0 | 0 | 0 | 108.6 | T966 | T966-T968 PolarHBondContact O-N 3.41Š|
| 969 | A | 31.7 | Very low | 35.7 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | -89.1 | 134.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 970 | I | 37.6 | Very low | 35.9 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | | | trans | -136.2 | 134.7 | 162.2 | -60 | -177.2 | 0 | 0 | 0 | 107.8 | | |
| 971 | N | 36.5 | Very low | 36.1 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | trans | -68.1 | 142.1 | -175.4 | -68.3 | -18 | 0 | 0 | 0 | 112.6 | | |
| 972 | A | 35.7 | Very low | 36.3 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | | | trans | -96.5 | 130.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 973 | T | 38.3 | Very low | 36.6 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | | | trans | -125.6 | 140 | 166.2 | 41.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 974 | N | 35.3 | Very low | 37 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | | | trans | -62.9 | 143.5 | -172.4 | -62.6 | -51.5 | 0 | 0 | 0 | 113 | | |
| 975 | T | 36.9 | Very low | 36.9 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -145.2 | 122.6 | 130.6 | -39.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 976 | T | 34.7 | Very low | 37 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 72% | 0.718 | 82% | 0.819 | S | S | * | * | | | trans | -85.5 | 148.3 | 171 | -42.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 977 | I | 35.8 | Very low | 37 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | | | trans | -158.8 | 144.3 | 143.4 | -105.5 | 149.1 | 0 | 0 | 0 | 110.9 | | |
| 978 | T | 36.7 | Very low | 37.3 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 68% | 0.681 | 83% | 0.825 | S | S | * | * | | | trans | -105.9 | 150.4 | -170.6 | -14.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 979 | N | 38.3 | Very low | 37.4 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | | | trans | -166.3 | 106 | 138 | -108.7 | -43.9 | 0 | 0 | 0 | 115.6 | | |
| 980 | N | 37.3 | Very low | 37.7 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 67% | 0.668 | 83% | 0.834 | S | S | * | * | | | | 34.2 | 112.5 | 125.4 | -60.4 | -45.4 | 0 | 0 | 0 | 120.7 | | |
| 981 | N | 40.2 | Very low | 37.8 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | | | | -170.1 | 145.8 | 121.5 | -94.7 | -39.8 | 0 | 0 | 0 | 109.1 | | |
| 982 | R | 38 | Very low | 37.9 | Very low | 217 Ų | 217 | 146.3 Ų | 146.3 | 82% | 0.819 | 84% | 0.839 | S | S | * | * | | | cis | 175.6 | 106.6 | -31.9 | 168 | 179.2 | 176.1 | 172 | 0.8 | 104.2 | | |
| 983 | V | 43.8 | Very low | 38 | Very low | 128 Ų | 128 | 149.9 Ų | 149.9 | 78% | 0.776 | 84% | 0.838 | S | S | * | * | | | trans | 45.1 | 105.6 | 152.4 | -172.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 984 | S | 41.2 | Very low | 38 | Very low | 196 Ų | 196 | 151 Ų | 151 | 100% | 1.371 | 84% | 0.837 | S | S | * | * | | | | -147.4 | 0 | 113.6 | -70.8 | 0 | 0 | 0 | 0 | 109 | | |